smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(N2CCC(NC(=O)CCOc3cccc(F)c3)CC2)CC1 ZINC000050798956 540414807 /nfs/dbraw/zinc/41/48/07/540414807.db2.gz YBCNUGYJHRWUEZ-UHFFFAOYSA-N 1 3 363.477 2.269 20 0 FEADHO Cc1cc(C)cc(OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050802396 540415667 /nfs/dbraw/zinc/41/56/67/540415667.db2.gz QRZBOQLNGGJPFT-UHFFFAOYSA-N 1 3 359.514 2.357 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000076306610 542258085 /nfs/dbraw/zinc/25/80/85/542258085.db2.gz FLECEIGLGBPRHH-OAQYLSRUSA-N 1 3 373.541 2.344 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H](C)[N@H+](C)C3CC3)cc2)CC1 ZINC000057700679 540809007 /nfs/dbraw/zinc/80/90/07/540809007.db2.gz ROQAMTNHWOMBJF-KRWDZBQOSA-N 1 3 358.530 2.430 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H](C)[N@@H+](C)C3CC3)cc2)CC1 ZINC000057700679 540809011 /nfs/dbraw/zinc/80/90/11/540809011.db2.gz ROQAMTNHWOMBJF-KRWDZBQOSA-N 1 3 358.530 2.430 20 0 FEADHO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NC3CCN(C)CC3)cc2)CC1 ZINC000070726487 541739332 /nfs/dbraw/zinc/73/93/32/541739332.db2.gz STLSMUGBQHRGBZ-UHFFFAOYSA-N 1 3 372.513 2.067 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000073206523 541929673 /nfs/dbraw/zinc/92/96/73/541929673.db2.gz GJPNKYUJVWOAMQ-MJGOQNOKSA-N 1 3 374.529 2.232 20 0 FEADHO CC[NH+](CC)CCOC1CCN(CCc2nnnn2-c2ccccc2)CC1 ZINC000075007768 542144860 /nfs/dbraw/zinc/14/48/60/542144860.db2.gz KZLLRTAYOGTJNX-UHFFFAOYSA-N 1 3 372.517 2.028 20 0 FEADHO C[C@@H]1CCCN1C(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000075684819 542197774 /nfs/dbraw/zinc/19/77/74/542197774.db2.gz FMCWAZZUOIPBKU-KZNAEPCWSA-N 1 3 351.535 2.209 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000093808812 542941643 /nfs/dbraw/zinc/94/16/43/542941643.db2.gz MLIVCYAPGSGAMK-GOSISDBHSA-N 1 3 358.530 2.306 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000093808812 542941646 /nfs/dbraw/zinc/94/16/46/542941646.db2.gz MLIVCYAPGSGAMK-GOSISDBHSA-N 1 3 358.530 2.306 20 0 FEADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000112916957 543467680 /nfs/dbraw/zinc/46/76/80/543467680.db2.gz MGGJLHKKACNVAB-CTNGQTDRSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000112916957 543467682 /nfs/dbraw/zinc/46/76/82/543467682.db2.gz MGGJLHKKACNVAB-CTNGQTDRSA-N 1 3 372.557 2.041 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1scnc1C(F)(F)F ZINC000617507660 676289606 /nfs/dbraw/zinc/28/96/06/676289606.db2.gz DYCXTVBFNGBJDH-JTQLQIEISA-N 1 3 352.426 2.164 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1scnc1C(F)(F)F ZINC000617507660 676289609 /nfs/dbraw/zinc/28/96/09/676289609.db2.gz DYCXTVBFNGBJDH-JTQLQIEISA-N 1 3 352.426 2.164 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000115794986 543585769 /nfs/dbraw/zinc/58/57/69/543585769.db2.gz NTLFUISBDDOODE-SFHVURJKSA-N 1 3 362.518 2.110 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000115794986 543585771 /nfs/dbraw/zinc/58/57/71/543585771.db2.gz NTLFUISBDDOODE-SFHVURJKSA-N 1 3 362.518 2.110 20 0 FEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000118114045 543645116 /nfs/dbraw/zinc/64/51/16/543645116.db2.gz AFHAPLXOTABWSV-IBGZPJMESA-N 1 3 374.529 2.458 20 0 FEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000118114045 543645120 /nfs/dbraw/zinc/64/51/20/543645120.db2.gz AFHAPLXOTABWSV-IBGZPJMESA-N 1 3 374.529 2.458 20 0 FEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000125861056 543905597 /nfs/dbraw/zinc/90/55/97/543905597.db2.gz YHEUSWSOTIIVDD-KRWDZBQOSA-N 1 3 350.507 2.473 20 0 FEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000125861056 543905600 /nfs/dbraw/zinc/90/56/00/543905600.db2.gz YHEUSWSOTIIVDD-KRWDZBQOSA-N 1 3 350.507 2.473 20 0 FEADHO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000125984578 543912596 /nfs/dbraw/zinc/91/25/96/543912596.db2.gz BKYYGMBUWJNZSK-JKSUJKDBSA-N 1 3 353.532 2.366 20 0 FEADHO C[C@H](C(=O)NCC1CCCCC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000126429359 543935410 /nfs/dbraw/zinc/93/54/10/543935410.db2.gz BNCLPIVGDHLQTL-QGZVFWFLSA-N 1 3 352.567 2.029 20 0 FEADHO C[C@@H](C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1)N1CCCCCC1 ZINC000126722625 543953455 /nfs/dbraw/zinc/95/34/55/543953455.db2.gz ITUJTUXNBKSBTQ-WMZOPIPTSA-N 1 3 363.502 2.191 20 0 FEADHO Cc1nccn1-c1ccc([C@@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128070386 544030820 /nfs/dbraw/zinc/03/08/20/544030820.db2.gz MQAHWAGEAGTGPZ-APWZRJJASA-N 1 3 369.513 2.419 20 0 FEADHO Cc1nccn1-c1ccc([C@@H](C)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128070386 544030822 /nfs/dbraw/zinc/03/08/22/544030822.db2.gz MQAHWAGEAGTGPZ-APWZRJJASA-N 1 3 369.513 2.419 20 0 FEADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000128070386 544030824 /nfs/dbraw/zinc/03/08/24/544030824.db2.gz MQAHWAGEAGTGPZ-APWZRJJASA-N 1 3 369.513 2.419 20 0 FEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000136608473 544375571 /nfs/dbraw/zinc/37/55/71/544375571.db2.gz BSXPUDWCQXPLDC-MRXNPFEDSA-N 1 3 362.518 2.262 20 0 FEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000136608473 544375573 /nfs/dbraw/zinc/37/55/73/544375573.db2.gz BSXPUDWCQXPLDC-MRXNPFEDSA-N 1 3 362.518 2.262 20 0 FEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000150756666 544467313 /nfs/dbraw/zinc/46/73/13/544467313.db2.gz MMZNRWAIFBHYFC-KRWDZBQOSA-N 1 3 350.507 2.331 20 0 FEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000150756666 544467319 /nfs/dbraw/zinc/46/73/19/544467319.db2.gz MMZNRWAIFBHYFC-KRWDZBQOSA-N 1 3 350.507 2.331 20 0 FEADHO COc1cc([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1S(C)(=O)=O ZINC000152423025 544651706 /nfs/dbraw/zinc/65/17/06/544651706.db2.gz VBUXDRCVWVBNKB-KBPBESRZSA-N 1 3 352.500 2.234 20 0 FEADHO CCN1CCN(CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000154460528 544909462 /nfs/dbraw/zinc/90/94/62/544909462.db2.gz TVFSPNXYRDXKMW-UHFFFAOYSA-N 1 3 350.473 2.020 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(NC(C)=O)ccc1C ZINC000189364216 328143478 /nfs/dbraw/zinc/14/34/78/328143478.db2.gz SDMUVDHDRFUVSF-LJQANCHMSA-N 1 3 374.529 2.442 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(NC(C)=O)ccc1C ZINC000189364216 328143479 /nfs/dbraw/zinc/14/34/79/328143479.db2.gz SDMUVDHDRFUVSF-LJQANCHMSA-N 1 3 374.529 2.442 20 0 FEADHO CC[N@H+](CCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000192373313 328316298 /nfs/dbraw/zinc/31/62/98/328316298.db2.gz NPVKWTMZATXOGE-HXUWFJFHSA-N 1 3 374.529 2.061 20 0 FEADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000192373313 328316300 /nfs/dbraw/zinc/31/63/00/328316300.db2.gz NPVKWTMZATXOGE-HXUWFJFHSA-N 1 3 374.529 2.061 20 0 FEADHO C[C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000237554920 328519783 /nfs/dbraw/zinc/51/97/83/328519783.db2.gz BGQICDODRKCXER-PXNSSMCTSA-N 1 3 359.514 2.426 20 0 FEADHO C[C@H](CC(=O)NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237667342 328524393 /nfs/dbraw/zinc/52/43/93/328524393.db2.gz BAXZRIPQAKMBOE-QZTJIDSGSA-N 1 3 373.541 2.285 20 0 FEADHO C[C@H](NCC1(CS(C)(=O)=O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000090183216 325356345 /nfs/dbraw/zinc/35/63/45/325356345.db2.gz QLSMKJGKOCYJHU-HNNXBMFYSA-N 1 3 354.516 2.102 20 0 FEADHO CCN1CCN(CCC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000091824678 325394590 /nfs/dbraw/zinc/39/45/90/325394590.db2.gz CVBPWIXXOYNJNK-UHFFFAOYSA-N 1 3 358.530 2.291 20 0 FEADHO C[C@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[NH+]1CCCCCC1 ZINC000118772910 326101700 /nfs/dbraw/zinc/10/17/00/326101700.db2.gz CMYXHTIKSZKEDI-LJQANCHMSA-N 1 3 372.557 2.315 20 0 FEADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(OC)c1 ZINC000119421797 326160504 /nfs/dbraw/zinc/16/05/04/326160504.db2.gz FOWRAHJNKIYQJG-GJZGRUSLSA-N 1 3 361.486 2.495 20 0 FEADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c(OC)c1 ZINC000119421797 326160507 /nfs/dbraw/zinc/16/05/07/326160507.db2.gz FOWRAHJNKIYQJG-GJZGRUSLSA-N 1 3 361.486 2.495 20 0 FEADHO CC(C)[C@@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000119875984 326207594 /nfs/dbraw/zinc/20/75/94/326207594.db2.gz FFDVRMSVKGVZIE-RTWAWAEBSA-N 1 3 373.541 2.032 20 0 FEADHO C[C@@H](NC1(CNC(=O)[C@@]2(C)CCC[NH2+]C2)CCOCC1)c1ccccc1 ZINC000120362788 326252555 /nfs/dbraw/zinc/25/25/55/326252555.db2.gz ZMQUCAYAGPDLMP-XLIONFOSSA-N 1 3 359.514 2.392 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCCNC(=O)C(C)C)CC1 ZINC000120388378 326254842 /nfs/dbraw/zinc/25/48/42/326254842.db2.gz OOKORVQGITWYEO-UHFFFAOYSA-N 1 3 360.546 2.471 20 0 FEADHO CC(C)C(=O)NCCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000120404013 326256028 /nfs/dbraw/zinc/25/60/28/326256028.db2.gz HNQMNUGPCWWMMI-UHFFFAOYSA-N 1 3 360.546 2.469 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000120453021 326260102 /nfs/dbraw/zinc/26/01/02/326260102.db2.gz YWOROOJBHRIJCF-XLIONFOSSA-N 1 3 373.545 2.070 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000120453021 326260104 /nfs/dbraw/zinc/26/01/04/326260104.db2.gz YWOROOJBHRIJCF-XLIONFOSSA-N 1 3 373.545 2.070 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000121367598 326333278 /nfs/dbraw/zinc/33/32/78/326333278.db2.gz ZHFVGFUMGKXDBJ-RZUBCFFCSA-N 1 3 373.589 2.155 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171056455 327114563 /nfs/dbraw/zinc/11/45/63/327114563.db2.gz NQWIUJBDRWPINA-SFHVURJKSA-N 1 3 360.502 2.007 20 0 FEADHO C[C@H]1CN(CC2CC[NH+](CCC(=O)NC3CCCC3)CC2)C[C@H](C)O1 ZINC000171303693 327130841 /nfs/dbraw/zinc/13/08/41/327130841.db2.gz MTDOGOVWVCEFMG-IRXDYDNUSA-N 1 3 351.535 2.257 20 0 FEADHO CCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)CC(C)(C)O ZINC000172275598 327192176 /nfs/dbraw/zinc/19/21/76/327192176.db2.gz VQHAHUVCNIOJJA-UHFFFAOYSA-N 1 3 361.530 2.168 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000173703835 327278128 /nfs/dbraw/zinc/27/81/28/327278128.db2.gz OOILDHAWWVKHDS-FQEVSTJZSA-N 1 3 358.530 2.108 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000173703835 327278129 /nfs/dbraw/zinc/27/81/29/327278129.db2.gz OOILDHAWWVKHDS-FQEVSTJZSA-N 1 3 358.530 2.108 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)NCC2(N3CCSCC3)CCCC2)CC[N@@H+]1C ZINC000174015874 327301482 /nfs/dbraw/zinc/30/14/82/327301482.db2.gz QUUYQKMFFISRTQ-IRXDYDNUSA-N 1 3 368.591 2.472 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)NCC2(N3CCSCC3)CCCC2)CC[N@H+]1C ZINC000174015874 327301483 /nfs/dbraw/zinc/30/14/83/327301483.db2.gz QUUYQKMFFISRTQ-IRXDYDNUSA-N 1 3 368.591 2.472 20 0 FEADHO OCc1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)o1 ZINC000174279574 327316720 /nfs/dbraw/zinc/31/67/20/327316720.db2.gz HLDIZAWJWWKCFO-UHFFFAOYSA-N 1 3 357.498 2.460 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)c1 ZINC000177536858 327529154 /nfs/dbraw/zinc/52/91/54/327529154.db2.gz WVKWZDDNRNNVDH-SFHVURJKSA-N 1 3 360.502 2.020 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])CC2)c1 ZINC000262781415 328889002 /nfs/dbraw/zinc/88/90/02/328889002.db2.gz YAMHPPQBMVCUDO-UYAOXDASSA-N 1 3 358.530 2.235 20 0 FEADHO COCCCN(C)CCNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000266517405 329232106 /nfs/dbraw/zinc/23/21/06/329232106.db2.gz IWKOBFSJWSGQOO-UHFFFAOYSA-N 1 3 364.534 2.294 20 0 FEADHO COCCCN(C)CCNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000266517405 329232107 /nfs/dbraw/zinc/23/21/07/329232107.db2.gz IWKOBFSJWSGQOO-UHFFFAOYSA-N 1 3 364.534 2.294 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000267841494 329362200 /nfs/dbraw/zinc/36/22/00/329362200.db2.gz LMZIAVYJEVJXOQ-IRXDYDNUSA-N 1 3 350.532 2.448 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000267841494 329362201 /nfs/dbraw/zinc/36/22/01/329362201.db2.gz LMZIAVYJEVJXOQ-IRXDYDNUSA-N 1 3 350.532 2.448 20 0 FEADHO CC(C)[NH+]1CCC(O)(CNC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000268418737 329417549 /nfs/dbraw/zinc/41/75/49/329417549.db2.gz AJSYTOVNDKFGQP-UHFFFAOYSA-N 1 3 373.541 2.250 20 0 FEADHO CN1CCC(O)(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000268963905 329473171 /nfs/dbraw/zinc/47/31/71/329473171.db2.gz GKKKUVVXQMJLDX-INIZCTEOSA-N 1 3 353.304 2.353 20 0 FEADHO [NH3+][C@H]1CCC[C@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000269277884 329503149 /nfs/dbraw/zinc/50/31/49/329503149.db2.gz YKIWPWURZZJJGK-RDJZCZTQSA-N 1 3 363.477 2.303 20 0 FEADHO C[NH+]1CCC(C)(CNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000272977204 329827693 /nfs/dbraw/zinc/82/76/93/329827693.db2.gz LKHZKAABILJUEA-UHFFFAOYSA-N 1 3 358.530 2.047 20 0 FEADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000273798124 329892558 /nfs/dbraw/zinc/89/25/58/329892558.db2.gz VGJBVHJQUZMXLE-NRFANRHFSA-N 1 3 370.545 2.334 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)cc2)c1 ZINC000275610094 330069793 /nfs/dbraw/zinc/06/97/93/330069793.db2.gz GQAJGSOACVNGSS-UHFFFAOYSA-N 1 3 354.454 2.387 20 0 FEADHO CCN(CCC[NH+](C)C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000276146175 330123573 /nfs/dbraw/zinc/12/35/73/330123573.db2.gz PEEIVDKWVZVYIX-UHFFFAOYSA-N 1 3 350.507 2.110 20 0 FEADHO CN(C)CCOc1cc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)ccn1 ZINC000276292550 330137666 /nfs/dbraw/zinc/13/76/66/330137666.db2.gz UGNYECRSOQUICS-UHFFFAOYSA-N 1 3 370.497 2.056 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)NC2CCN(CCc3ccncc3)CC2)CC[N@@H+]1C ZINC000361441759 330203832 /nfs/dbraw/zinc/20/38/32/330203832.db2.gz VJWQHLARDGMCLW-FXAWDEMLSA-N 1 3 373.545 2.213 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)NC2CCN(CCc3ccncc3)CC2)CC[N@H+]1C ZINC000361441759 330203833 /nfs/dbraw/zinc/20/38/33/330203833.db2.gz VJWQHLARDGMCLW-FXAWDEMLSA-N 1 3 373.545 2.213 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000157035058 545691150 /nfs/dbraw/zinc/69/11/50/545691150.db2.gz KFXQPHKHOYWTQW-VQTJNVASSA-N 1 3 361.530 2.069 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000157766654 545781465 /nfs/dbraw/zinc/78/14/65/545781465.db2.gz FTIMVGMZDMSETR-HXUWFJFHSA-N 1 3 360.546 2.069 20 0 FEADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000480655674 561213743 /nfs/dbraw/zinc/21/37/43/561213743.db2.gz XDHYQQJUNIQWKO-RXVVDRJESA-N 1 3 370.541 2.067 20 0 FEADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000480655674 561213744 /nfs/dbraw/zinc/21/37/44/561213744.db2.gz XDHYQQJUNIQWKO-RXVVDRJESA-N 1 3 370.541 2.067 20 0 FEADHO C[C@@H](CNC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000177383922 546605281 /nfs/dbraw/zinc/60/52/81/546605281.db2.gz BDABBFYPANBNFT-RBUKOAKNSA-N 1 3 374.573 2.253 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000481023822 561223142 /nfs/dbraw/zinc/22/31/42/561223142.db2.gz XYUFOSVPVVWQSJ-QFBILLFUSA-N 1 3 362.518 2.329 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481064796 561224329 /nfs/dbraw/zinc/22/43/29/561224329.db2.gz XMJGVGPIWFASDY-SCTDSRPQSA-N 1 3 370.607 2.481 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481064796 561224330 /nfs/dbraw/zinc/22/43/30/561224330.db2.gz XMJGVGPIWFASDY-SCTDSRPQSA-N 1 3 370.607 2.481 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)C[C@H](C)O1 ZINC000178034522 546726998 /nfs/dbraw/zinc/72/69/98/546726998.db2.gz LGQQRTCRLPQVCM-GASCZTMLSA-N 1 3 351.457 2.492 20 0 FEADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC000482148189 561249098 /nfs/dbraw/zinc/24/90/98/561249098.db2.gz GOKOMQOAPURKRG-CVEARBPZSA-N 1 3 352.523 2.197 20 0 FEADHO CN1CCCN(CCC[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000180164156 547061729 /nfs/dbraw/zinc/06/17/29/547061729.db2.gz UQRUORNTJJGOOL-UHFFFAOYSA-N 1 3 350.473 2.020 20 0 FEADHO COc1cc(C)c([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000482550278 561255853 /nfs/dbraw/zinc/25/58/53/561255853.db2.gz QAPNASMMPQQTSA-HZPDHXFCSA-N 1 3 363.502 2.250 20 0 FEADHO CCc1nc2c(s1)[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000482563795 561256066 /nfs/dbraw/zinc/25/60/66/561256066.db2.gz GTFPQUANZODNFX-KGLIPLIRSA-N 1 3 350.532 2.260 20 0 FEADHO COC(=O)c1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1F ZINC000180931604 547212967 /nfs/dbraw/zinc/21/29/67/547212967.db2.gz UUPZISXVXVFQEB-UHFFFAOYSA-N 1 3 351.466 2.070 20 0 FEADHO Cc1ccccc1CCNC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180935967 547214183 /nfs/dbraw/zinc/21/41/83/547214183.db2.gz SYDGKRVWVFDEQM-LJQANCHMSA-N 1 3 374.573 2.000 20 0 FEADHO COc1ccc2c(c1)[C@H]([NH2+]CCCCN1CCN(CCO)CC1)CCC2 ZINC000483127630 561268246 /nfs/dbraw/zinc/26/82/46/561268246.db2.gz NSTHJPSFAHUJCV-OAQYLSRUSA-N 1 3 361.530 2.052 20 0 FEADHO COCCN1CCC(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182562407 547514620 /nfs/dbraw/zinc/51/46/20/547514620.db2.gz RGUMWPMSMRAOPZ-SJORKVTESA-N 1 3 366.550 2.049 20 0 FEADHO COCCN1CCC(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182562407 547514624 /nfs/dbraw/zinc/51/46/24/547514624.db2.gz RGUMWPMSMRAOPZ-SJORKVTESA-N 1 3 366.550 2.049 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000484012599 561289535 /nfs/dbraw/zinc/28/95/35/561289535.db2.gz PSDZZHGRPQAEBA-RTBURBONSA-N 1 3 359.514 2.202 20 0 FEADHO NC(=O)C1(C[NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000183128563 547607210 /nfs/dbraw/zinc/60/72/10/547607210.db2.gz OEWVRFZFDLPXOQ-ZCNNSNEGSA-N 1 3 371.525 2.159 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000183200007 547618495 /nfs/dbraw/zinc/61/84/95/547618495.db2.gz UQAOFOMZOOXSIT-IEBWSBKVSA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000183200007 547618501 /nfs/dbraw/zinc/61/85/01/547618501.db2.gz UQAOFOMZOOXSIT-IEBWSBKVSA-N 1 3 366.550 2.002 20 0 FEADHO COC(=O)CN1CCC(NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000183235612 547625085 /nfs/dbraw/zinc/62/50/85/547625085.db2.gz ZPBKSPNWCISOGR-UHFFFAOYSA-N 1 3 351.535 2.402 20 0 FEADHO COC[C@@H]([NH2+]CC(=O)N1CCCN(Cc2ccccc2C)CC1)C1CC1 ZINC000183422978 547656650 /nfs/dbraw/zinc/65/66/50/547656650.db2.gz GSGQSXHMAGICGT-HXUWFJFHSA-N 1 3 359.514 2.044 20 0 FEADHO CCC[C@@H]1C[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000183530768 547676038 /nfs/dbraw/zinc/67/60/38/547676038.db2.gz LEKJAJSCNMKJFM-QFBILLFUSA-N 1 3 351.535 2.257 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000183592064 547686354 /nfs/dbraw/zinc/68/63/54/547686354.db2.gz GGZCWHCTXJTYAY-MRXNPFEDSA-N 1 3 367.534 2.029 20 0 FEADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000184295096 547802426 /nfs/dbraw/zinc/80/24/26/547802426.db2.gz WTDKGVSRFFPDOQ-TZIWHRDSSA-N 1 3 372.557 2.041 20 0 FEADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000184295096 547802430 /nfs/dbraw/zinc/80/24/30/547802430.db2.gz WTDKGVSRFFPDOQ-TZIWHRDSSA-N 1 3 372.557 2.041 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000184585224 547849852 /nfs/dbraw/zinc/84/98/52/547849852.db2.gz OEIBPJFKQYPKMD-OAQYLSRUSA-N 1 3 372.557 2.356 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000184585224 547849857 /nfs/dbraw/zinc/84/98/57/547849857.db2.gz OEIBPJFKQYPKMD-OAQYLSRUSA-N 1 3 372.557 2.356 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2)CC1 ZINC000184957228 547907438 /nfs/dbraw/zinc/90/74/38/547907438.db2.gz GNNSDEDXRDJTGL-RLLQIKCJSA-N 1 3 356.514 2.026 20 0 FEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC[C@H]21 ZINC000485453052 561319560 /nfs/dbraw/zinc/31/95/60/561319560.db2.gz IZYJEDZXPGEKNK-VAMGGRTRSA-N 1 3 356.514 2.387 20 0 FEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC[C@H]21 ZINC000485453052 561319561 /nfs/dbraw/zinc/31/95/61/561319561.db2.gz IZYJEDZXPGEKNK-VAMGGRTRSA-N 1 3 356.514 2.387 20 0 FEADHO COc1ccc(F)cc1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000185927827 548060534 /nfs/dbraw/zinc/06/05/34/548060534.db2.gz ACAOEDYXZLCFIT-UHFFFAOYSA-N 1 3 363.477 2.052 20 0 FEADHO O=C(Nc1cccc(CN2CCCCC2)c1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000485814828 561329008 /nfs/dbraw/zinc/32/90/08/561329008.db2.gz HCYDHAWLMPCEMM-SFHVURJKSA-N 1 3 368.485 2.441 20 0 FEADHO C[NH+](C)[C@]1(CNC(=O)N2CCN(C3CCCCC3)CC2)CCSC1 ZINC000486231410 561341744 /nfs/dbraw/zinc/34/17/44/561341744.db2.gz VNEDOBXZTZNJSL-SFHVURJKSA-N 1 3 354.564 2.084 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000486492077 561348824 /nfs/dbraw/zinc/34/88/24/561348824.db2.gz JRPNHNQNZWJTME-LNLFQRSKSA-N 1 3 359.514 2.200 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000486492077 561348825 /nfs/dbraw/zinc/34/88/25/561348825.db2.gz JRPNHNQNZWJTME-LNLFQRSKSA-N 1 3 359.514 2.200 20 0 FEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000486607796 561352211 /nfs/dbraw/zinc/35/22/11/561352211.db2.gz VMPVFRVIMGHARQ-NQIIRXRSSA-N 1 3 373.541 2.372 20 0 FEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000486607796 561352212 /nfs/dbraw/zinc/35/22/12/561352212.db2.gz VMPVFRVIMGHARQ-NQIIRXRSSA-N 1 3 373.541 2.372 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCN2CCO[C@@H](CC)C2)CC1 ZINC000487210121 561366190 /nfs/dbraw/zinc/36/61/90/561366190.db2.gz LXNFIQKHEWZPDY-NRFANRHFSA-N 1 3 374.573 2.419 20 0 FEADHO [NH3+]C1(CNC(=O)CCCN2CCN(c3ccccc3)CC2)CCCCC1 ZINC000237738721 548848969 /nfs/dbraw/zinc/84/89/69/548848969.db2.gz WYQITLLCGXSFSZ-UHFFFAOYSA-N 1 3 358.530 2.367 20 0 FEADHO C[C@H](CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000487792107 561376010 /nfs/dbraw/zinc/37/60/10/561376010.db2.gz BIFJIPSHZNQJCK-UJWQCDCRSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@H](CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000487792107 561376011 /nfs/dbraw/zinc/37/60/11/561376011.db2.gz BIFJIPSHZNQJCK-UJWQCDCRSA-N 1 3 350.551 2.479 20 0 FEADHO CN(c1ccccc1C[N@@H+]1CCC[C@@H](CC(N)=O)C1)C1CCN(C)CC1 ZINC000245753525 548988705 /nfs/dbraw/zinc/98/87/05/548988705.db2.gz OFODTCCTYBDFKO-KRWDZBQOSA-N 1 3 358.530 2.304 20 0 FEADHO CN(c1ccccc1C[N@H+]1CCC[C@@H](CC(N)=O)C1)C1CCN(C)CC1 ZINC000245753525 548988708 /nfs/dbraw/zinc/98/87/08/548988708.db2.gz OFODTCCTYBDFKO-KRWDZBQOSA-N 1 3 358.530 2.304 20 0 FEADHO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245781537 548993489 /nfs/dbraw/zinc/99/34/89/548993489.db2.gz YYOJAPVFGZVPEM-NMIHRBCNSA-N 1 3 356.558 2.408 20 0 FEADHO C[C@H](CN1CCN(C)CC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245781537 548993492 /nfs/dbraw/zinc/99/34/92/548993492.db2.gz YYOJAPVFGZVPEM-NMIHRBCNSA-N 1 3 356.558 2.408 20 0 FEADHO C[C@H](CN1CCN(C)CC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245781537 548993496 /nfs/dbraw/zinc/99/34/96/548993496.db2.gz YYOJAPVFGZVPEM-NMIHRBCNSA-N 1 3 356.558 2.408 20 0 FEADHO C[N@H+](CC1CCN(C[C@H](O)c2ccccc2)CC1)[C@H]1CCCCNC1=O ZINC000245985965 549031318 /nfs/dbraw/zinc/03/13/18/549031318.db2.gz WDIAYIAECHXALF-PMACEKPBSA-N 1 3 359.514 2.033 20 0 FEADHO C[N@@H+](CC1CCN(C[C@H](O)c2ccccc2)CC1)[C@H]1CCCCNC1=O ZINC000245985965 549031321 /nfs/dbraw/zinc/03/13/21/549031321.db2.gz WDIAYIAECHXALF-PMACEKPBSA-N 1 3 359.514 2.033 20 0 FEADHO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@H]1CCCCNC1=O ZINC000245985965 549031325 /nfs/dbraw/zinc/03/13/25/549031325.db2.gz WDIAYIAECHXALF-PMACEKPBSA-N 1 3 359.514 2.033 20 0 FEADHO CCOc1cc2[nH+]ccc(NCCN3CCN(C)CC3)c2cc1OCC ZINC000488218005 561386253 /nfs/dbraw/zinc/38/62/53/561386253.db2.gz LSAKTLQUOBDAFY-UHFFFAOYSA-N 1 3 358.486 2.113 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)C1 ZINC000246028908 549038328 /nfs/dbraw/zinc/03/83/28/549038328.db2.gz VVVNFBATSVEFJT-FCGDIQPGSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)C1 ZINC000246028908 549038333 /nfs/dbraw/zinc/03/83/33/549038333.db2.gz VVVNFBATSVEFJT-FCGDIQPGSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)C[C@H](C)O1 ZINC000246561523 549162667 /nfs/dbraw/zinc/16/26/67/549162667.db2.gz ULPGEIUDWVVLQM-LVCYWYKZSA-N 1 3 373.541 2.467 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H]2C[C@H](C)O)CC1 ZINC000246795345 549214675 /nfs/dbraw/zinc/21/46/75/549214675.db2.gz SLYMUJJGFLDYEV-RXVVDRJESA-N 1 3 373.541 2.311 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000246821172 549220340 /nfs/dbraw/zinc/22/03/40/549220340.db2.gz FZPWWXFWBSCELZ-MJQMVNBJSA-N 1 3 353.551 2.262 20 0 FEADHO c1cc([C@@H]2CCCN(CCOCC[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000247115282 549285186 /nfs/dbraw/zinc/28/51/86/549285186.db2.gz RJVNKLGOWFXZJD-QZTJIDSGSA-N 1 3 372.517 2.208 20 0 FEADHO c1cc([C@@H]2CCCN(CCOCC[N@H+]3CCC[C@@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000247115282 549285189 /nfs/dbraw/zinc/28/51/89/549285189.db2.gz RJVNKLGOWFXZJD-QZTJIDSGSA-N 1 3 372.517 2.208 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000247210478 549300182 /nfs/dbraw/zinc/30/01/82/549300182.db2.gz RTURMKFYXZVYJH-FXAWDEMLSA-N 1 3 374.529 2.473 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000247210478 549300186 /nfs/dbraw/zinc/30/01/86/549300186.db2.gz RTURMKFYXZVYJH-FXAWDEMLSA-N 1 3 374.529 2.473 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCCN2CC)[C@H](C)C1 ZINC000247295727 549313609 /nfs/dbraw/zinc/31/36/09/549313609.db2.gz ULUDAFAPFLNBSI-QRVBRYPASA-N 1 3 368.566 2.297 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCCN2CC)[C@H](C)C1 ZINC000247295727 549313610 /nfs/dbraw/zinc/31/36/10/549313610.db2.gz ULUDAFAPFLNBSI-QRVBRYPASA-N 1 3 368.566 2.297 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCN2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000247301531 549313917 /nfs/dbraw/zinc/31/39/17/549313917.db2.gz VAEYEYZIOSADTL-QRVBRYPASA-N 1 3 368.566 2.155 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCCN2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000247301531 549313921 /nfs/dbraw/zinc/31/39/21/549313921.db2.gz VAEYEYZIOSADTL-QRVBRYPASA-N 1 3 368.566 2.155 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000489149452 561404441 /nfs/dbraw/zinc/40/44/41/561404441.db2.gz PFUYDZMGOORDLF-HZPDHXFCSA-N 1 3 354.539 2.048 20 0 FEADHO CC(C)N1CCC[C@H](N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1=O ZINC000248328747 549418549 /nfs/dbraw/zinc/41/85/49/549418549.db2.gz CWQJBNFHRASCGN-LMMKCTJWSA-N 1 3 351.535 2.207 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248906215 549526082 /nfs/dbraw/zinc/52/60/82/549526082.db2.gz UWEMUBSIDOLNGB-YZGWKJHDSA-N 1 3 358.530 2.490 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248906215 549526085 /nfs/dbraw/zinc/52/60/85/549526085.db2.gz UWEMUBSIDOLNGB-YZGWKJHDSA-N 1 3 358.530 2.490 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1(C)C ZINC000249090077 549549297 /nfs/dbraw/zinc/54/92/97/549549297.db2.gz VCGOETQARUGWNG-VIPLHTEESA-N 1 3 353.551 2.393 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000249483037 549594723 /nfs/dbraw/zinc/59/47/23/549594723.db2.gz XNASDYDYZBNGFW-MKXGPGLRSA-N 1 3 353.551 2.218 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261691990 549743556 /nfs/dbraw/zinc/74/35/56/549743556.db2.gz HOLGIXFSHDYSSK-AHRSYUTCSA-N 1 3 359.514 2.252 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261691990 549743558 /nfs/dbraw/zinc/74/35/58/549743558.db2.gz HOLGIXFSHDYSSK-AHRSYUTCSA-N 1 3 359.514 2.252 20 0 FEADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCOc2ccc(Cl)cc2Cl)C1 ZINC000261788814 549755808 /nfs/dbraw/zinc/75/58/08/549755808.db2.gz SVHMTVWHIHAOPF-GFCCVEGCSA-N 1 3 360.285 2.159 20 0 FEADHO CCc1cccc(OCCN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261868150 549764300 /nfs/dbraw/zinc/76/43/00/549764300.db2.gz NVMLVZMWOYNPOS-ICSRJNTNSA-N 1 3 359.514 2.208 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000262334197 549811875 /nfs/dbraw/zinc/81/18/75/549811875.db2.gz YURZDRGOWCAZOY-RWQQGDIJSA-N 1 3 351.535 2.242 20 0 FEADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@@H](C)C1 ZINC000490366501 561431747 /nfs/dbraw/zinc/43/17/47/561431747.db2.gz JTZFMWJELQKDNR-XSLAGTTESA-N 1 3 350.551 2.479 20 0 FEADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@@H](C)C1 ZINC000490366501 561431748 /nfs/dbraw/zinc/43/17/48/561431748.db2.gz JTZFMWJELQKDNR-XSLAGTTESA-N 1 3 350.551 2.479 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1(C)C ZINC000262789034 549849995 /nfs/dbraw/zinc/84/99/95/549849995.db2.gz NJBSIGXBGLWAAA-NNMXDRDESA-N 1 3 373.541 2.200 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1(C)C ZINC000262789034 549849997 /nfs/dbraw/zinc/84/99/97/549849997.db2.gz NJBSIGXBGLWAAA-NNMXDRDESA-N 1 3 373.541 2.200 20 0 FEADHO C[C@@H](CC[S@@](C)=O)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000268455554 550069062 /nfs/dbraw/zinc/06/90/62/550069062.db2.gz XSHWFNNMKSKIBO-UPCLLVRISA-N 1 3 351.560 2.464 20 0 FEADHO O[C@H](CNC1CCN(Cc2c(F)cccc2Cl)CC1)C[NH+]1CCCC1 ZINC000268853579 550123455 /nfs/dbraw/zinc/12/34/55/550123455.db2.gz QHPPFDUDORNEQS-MRXNPFEDSA-N 1 3 369.912 2.490 20 0 FEADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000269072774 550151202 /nfs/dbraw/zinc/15/12/02/550151202.db2.gz XKEGUMJYIFRACE-MRXNPFEDSA-N 1 3 358.486 2.106 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000269606040 550210049 /nfs/dbraw/zinc/21/00/49/550210049.db2.gz KHGIDDIAHJTEKX-JXXFODFXSA-N 1 3 371.529 2.389 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000269606040 550210052 /nfs/dbraw/zinc/21/00/52/550210052.db2.gz KHGIDDIAHJTEKX-JXXFODFXSA-N 1 3 371.529 2.389 20 0 FEADHO CN(CCOCC[N@H+](C)[C@H](CO)c1ccccc1)[C@H](CO)c1ccccc1 ZINC000269605887 550210185 /nfs/dbraw/zinc/21/01/85/550210185.db2.gz QOUSDBJJDQQXCJ-FGZHOGPDSA-N 1 3 372.509 2.334 20 0 FEADHO CN(CCOCC[N@@H+](C)[C@H](CO)c1ccccc1)[C@H](CO)c1ccccc1 ZINC000269605887 550210187 /nfs/dbraw/zinc/21/01/87/550210187.db2.gz QOUSDBJJDQQXCJ-FGZHOGPDSA-N 1 3 372.509 2.334 20 0 FEADHO CN1CC[C@H]2CCN(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)[C@H]2C1 ZINC000272503447 550454036 /nfs/dbraw/zinc/45/40/36/550454036.db2.gz WBIHOIDMDYCLQT-FPOVZHCZSA-N 1 3 370.541 2.429 20 0 FEADHO CN1CC[C@H]2CCN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000272593890 550459528 /nfs/dbraw/zinc/45/95/28/550459528.db2.gz OJCXMMXNPQSTHY-PKOBYXMFSA-N 1 3 357.502 2.034 20 0 FEADHO C[C@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCO1 ZINC000277383007 550663882 /nfs/dbraw/zinc/66/38/82/550663882.db2.gz JVGSLNUUVIUPJX-AZUAARDMSA-N 1 3 374.529 2.061 20 0 FEADHO C[C@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCO1 ZINC000277383007 550663883 /nfs/dbraw/zinc/66/38/83/550663883.db2.gz JVGSLNUUVIUPJX-AZUAARDMSA-N 1 3 374.529 2.061 20 0 FEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000494874073 561478187 /nfs/dbraw/zinc/47/81/87/561478187.db2.gz NEQMSLBXLODEDS-KSZLIROESA-N 1 3 366.550 2.144 20 0 FEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000494874073 561478188 /nfs/dbraw/zinc/47/81/88/561478188.db2.gz NEQMSLBXLODEDS-KSZLIROESA-N 1 3 366.550 2.144 20 0 FEADHO C[C@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CCN1Cc1ccccc1 ZINC000278975935 550842265 /nfs/dbraw/zinc/84/22/65/550842265.db2.gz JLACVYDOHQPLBX-WMZOPIPTSA-N 1 3 367.497 2.223 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)C1 ZINC000497371737 561499538 /nfs/dbraw/zinc/49/95/38/561499538.db2.gz RDZCNQGQOFVWOT-XMTFNYHQSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)C1 ZINC000497371737 561499539 /nfs/dbraw/zinc/49/95/39/561499539.db2.gz RDZCNQGQOFVWOT-XMTFNYHQSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282185324 551192091 /nfs/dbraw/zinc/19/20/91/551192091.db2.gz FWZVEUIXNSSEIL-OAHLLOKOSA-N 1 3 350.482 2.158 20 0 FEADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(N2CCOC2=O)c1 ZINC000282516852 551240553 /nfs/dbraw/zinc/24/05/53/551240553.db2.gz ZKKKDUXGGYRPKI-INIZCTEOSA-N 1 3 360.502 2.320 20 0 FEADHO CN(CCN1CCCC1)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000497709975 561506788 /nfs/dbraw/zinc/50/67/88/561506788.db2.gz ZZBFKWKXXPNGBP-UHFFFAOYSA-N 1 3 362.518 2.254 20 0 FEADHO COCCN1CC[C@H](NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000497852704 561509910 /nfs/dbraw/zinc/50/99/10/561509910.db2.gz KPXTYSGTVYMRRP-JENIJYKNSA-N 1 3 362.518 2.006 20 0 FEADHO CCC[C@]1(NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCOC1 ZINC000285639199 551787140 /nfs/dbraw/zinc/78/71/40/551787140.db2.gz RRZFPXPADUJAOK-NRFANRHFSA-N 1 3 359.514 2.447 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000499303625 561548343 /nfs/dbraw/zinc/54/83/43/561548343.db2.gz OOENMVZJSIWHJS-OGWOLHLISA-N 1 3 360.502 2.222 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000499303625 561548344 /nfs/dbraw/zinc/54/83/44/561548344.db2.gz OOENMVZJSIWHJS-OGWOLHLISA-N 1 3 360.502 2.222 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000287587893 552022443 /nfs/dbraw/zinc/02/24/43/552022443.db2.gz KYABZLQMKAOIAB-AOIWGVFYSA-N 1 3 362.518 2.470 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000288152409 552100790 /nfs/dbraw/zinc/10/07/90/552100790.db2.gz MGLCJWPUUZLXEP-QFBILLFUSA-N 1 3 372.513 2.080 20 0 FEADHO Cc1nc2ccccn2c(=O)c1CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000289293715 552296584 /nfs/dbraw/zinc/29/65/84/552296584.db2.gz BMHMTOSZVCKZEJ-FXAWDEMLSA-N 1 3 366.509 2.494 20 0 FEADHO Cc1nc2ccccn2c(=O)c1CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000289293715 552296586 /nfs/dbraw/zinc/29/65/86/552296586.db2.gz BMHMTOSZVCKZEJ-FXAWDEMLSA-N 1 3 366.509 2.494 20 0 FEADHO COC(=O)CC[C@@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000290099921 552427365 /nfs/dbraw/zinc/42/73/65/552427365.db2.gz XNSPTINJLRWIQC-DOTOQJQBSA-N 1 3 361.486 2.047 20 0 FEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000290142840 552433822 /nfs/dbraw/zinc/43/38/22/552433822.db2.gz MQODNRAELMAQNN-LEWJYISDSA-N 1 3 372.557 2.089 20 0 FEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000290295482 552455678 /nfs/dbraw/zinc/45/56/78/552455678.db2.gz HYGQZRPDRWDHHT-QGZVFWFLSA-N 1 3 374.529 2.456 20 0 FEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000290295482 552455680 /nfs/dbraw/zinc/45/56/80/552455680.db2.gz HYGQZRPDRWDHHT-QGZVFWFLSA-N 1 3 374.529 2.456 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3c[nH]c(C(F)(F)F)c3)CC2)CC1 ZINC000292398565 552723338 /nfs/dbraw/zinc/72/33/38/552723338.db2.gz XZXQJLYVHOIUBL-UHFFFAOYSA-N 1 3 358.408 2.322 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000292828384 552762221 /nfs/dbraw/zinc/76/22/21/552762221.db2.gz BJHBSIJEHOGVHY-QUCCMNQESA-N 1 3 356.514 2.041 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000501648222 561602887 /nfs/dbraw/zinc/60/28/87/561602887.db2.gz GQEWQUYXWVBIDF-ROUUACIJSA-N 1 3 353.551 2.456 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000501648222 561602888 /nfs/dbraw/zinc/60/28/88/561602888.db2.gz GQEWQUYXWVBIDF-ROUUACIJSA-N 1 3 353.551 2.456 20 0 FEADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000294102937 552882103 /nfs/dbraw/zinc/88/21/03/552882103.db2.gz FJSABVUZECURLA-WMZOPIPTSA-N 1 3 354.516 2.072 20 0 FEADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000294102929 552882142 /nfs/dbraw/zinc/88/21/42/552882142.db2.gz FJSABVUZECURLA-FUHWJXTLSA-N 1 3 354.516 2.072 20 0 FEADHO COc1ccc(C(=O)NCC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000294347994 552899067 /nfs/dbraw/zinc/89/90/67/552899067.db2.gz YZJCTQWIXMQQNS-UHFFFAOYSA-N 1 3 354.454 2.079 20 0 FEADHO CCC[NH2+][C@H](C)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000294695536 552927462 /nfs/dbraw/zinc/92/74/62/552927462.db2.gz AMFOIZYKLJPZBP-OAHLLOKOSA-N 1 3 351.466 2.173 20 0 FEADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCCN(CCCO)C2)cc1 ZINC000295326213 552987553 /nfs/dbraw/zinc/98/75/53/552987553.db2.gz CVHTWVXKHSTGAE-HXUWFJFHSA-N 1 3 361.530 2.495 20 0 FEADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCCN(CCCO)C2)cc1 ZINC000295326213 552987556 /nfs/dbraw/zinc/98/75/56/552987556.db2.gz CVHTWVXKHSTGAE-HXUWFJFHSA-N 1 3 361.530 2.495 20 0 FEADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cnn(C2CCCC2)c1 ZINC000502725625 561624006 /nfs/dbraw/zinc/62/40/06/561624006.db2.gz YBIHQVSVPRJNJK-SFHVURJKSA-N 1 3 363.550 2.039 20 0 FEADHO C[C@H]1CCN(C)CCN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000502772314 561625158 /nfs/dbraw/zinc/62/51/58/561625158.db2.gz FMBZZHVRJWLNOA-KRWDZBQOSA-N 1 3 362.518 2.253 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2CCCN(C)CC2)N(C)C)cc1 ZINC000297167644 553258412 /nfs/dbraw/zinc/25/84/12/553258412.db2.gz ANHXISDUIXZXRR-QGZVFWFLSA-N 1 3 350.532 2.358 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C)CC2)N(C)C)cc1 ZINC000297167644 553258413 /nfs/dbraw/zinc/25/84/13/553258413.db2.gz ANHXISDUIXZXRR-QGZVFWFLSA-N 1 3 350.532 2.358 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](C)CC2)N(C)C)cc1 ZINC000297167644 553258414 /nfs/dbraw/zinc/25/84/14/553258414.db2.gz ANHXISDUIXZXRR-QGZVFWFLSA-N 1 3 350.532 2.358 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2CCCN(C)CC2)[NH+](C)C)cc1 ZINC000297167644 553258415 /nfs/dbraw/zinc/25/84/15/553258415.db2.gz ANHXISDUIXZXRR-QGZVFWFLSA-N 1 3 350.532 2.358 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000297729969 553331402 /nfs/dbraw/zinc/33/14/02/553331402.db2.gz ZJMWMKGXLZLPIM-NRFANRHFSA-N 1 3 374.529 2.254 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000297729969 553331403 /nfs/dbraw/zinc/33/14/03/553331403.db2.gz ZJMWMKGXLZLPIM-NRFANRHFSA-N 1 3 374.529 2.254 20 0 FEADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)c1cc(Cl)c2c(c1)OCCO2 ZINC000298223389 553400158 /nfs/dbraw/zinc/40/01/58/553400158.db2.gz AQNPCFIWPISHKQ-MRXNPFEDSA-N 1 3 352.862 2.361 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@H](Cc2ccccc2)[NH+](CC)CC)CC1 ZINC000299673043 553601038 /nfs/dbraw/zinc/60/10/38/553601038.db2.gz PNZVPPKJQNXLTM-NRFANRHFSA-N 1 3 374.573 2.083 20 0 FEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000506530977 561701144 /nfs/dbraw/zinc/70/11/44/561701144.db2.gz OWOHJLZWJMQQJM-TZIWHRDSSA-N 1 3 361.530 2.249 20 0 FEADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H]1CCCOC1 ZINC000507508559 561731249 /nfs/dbraw/zinc/73/12/49/561731249.db2.gz JNNVTBCBKYYTRB-PXNSSMCTSA-N 1 3 359.514 2.417 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@]2(CO)C[C@@H](C)CC(C)(C)C2)CC1 ZINC000331349616 554250194 /nfs/dbraw/zinc/25/01/94/554250194.db2.gz NNIGXCWNQNGXME-JXFKEZNVSA-N 1 3 353.551 2.142 20 0 FEADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000333304610 554600765 /nfs/dbraw/zinc/60/07/65/554600765.db2.gz KUGSQOISKQVNRR-ZDUSSCGKSA-N 1 3 352.866 2.378 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c2)CC1 ZINC000333342313 554604432 /nfs/dbraw/zinc/60/44/32/554604432.db2.gz PXNQDZCPOGMVEX-PWIZWCRZSA-N 1 3 371.529 2.420 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000333405233 554610329 /nfs/dbraw/zinc/61/03/29/554610329.db2.gz FPPWGCSHUPRJIS-JTDSTZFVSA-N 1 3 359.518 2.389 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000333405233 554610332 /nfs/dbraw/zinc/61/03/32/554610332.db2.gz FPPWGCSHUPRJIS-JTDSTZFVSA-N 1 3 359.518 2.389 20 0 FEADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000333412804 554610643 /nfs/dbraw/zinc/61/06/43/554610643.db2.gz RMAWVAQHORJQEF-JKSUJKDBSA-N 1 3 354.564 2.117 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCC3CCN(c4ccncc4)CC3)C[C@@H]21 ZINC000333571727 554624783 /nfs/dbraw/zinc/62/47/83/554624783.db2.gz MNAMEHRBHMCTIS-NZSAHSFTSA-N 1 3 357.502 2.067 20 0 FEADHO Cc1ccc(NC(=O)NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1C ZINC000333650955 554630985 /nfs/dbraw/zinc/63/09/85/554630985.db2.gz YZWJEYREUCTZST-INIZCTEOSA-N 1 3 358.486 2.416 20 0 FEADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000333932972 554657770 /nfs/dbraw/zinc/65/77/70/554657770.db2.gz HIODELZPTYLYFU-JKSUJKDBSA-N 1 3 354.564 2.117 20 0 FEADHO C[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1cccc(OCCN(C)C)c1 ZINC000361123844 554904783 /nfs/dbraw/zinc/90/47/83/554904783.db2.gz HETYLUPJKKOFAV-AEFFLSMTSA-N 1 3 357.502 2.290 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C[N@@H+]1C1CC1 ZINC000361667086 554928149 /nfs/dbraw/zinc/92/81/49/554928149.db2.gz MNRFTKFUEIGMGA-BHIYHBOVSA-N 1 3 371.529 2.218 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C[N@H+]1C1CC1 ZINC000361667086 554928151 /nfs/dbraw/zinc/92/81/51/554928151.db2.gz MNRFTKFUEIGMGA-BHIYHBOVSA-N 1 3 371.529 2.218 20 0 FEADHO CN1CCC[C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)[C@H]1c1cccs1 ZINC000361710712 554931098 /nfs/dbraw/zinc/93/10/98/554931098.db2.gz LVBWYIXKTKATPK-KEYYUXOJSA-N 1 3 353.557 2.342 20 0 FEADHO C[C@@H]1CN(CCC(=O)Nc2cccc(F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362703947 554982105 /nfs/dbraw/zinc/98/21/05/554982105.db2.gz RXVZDYKOXGOPEI-APWZRJJASA-N 1 3 362.493 2.112 20 0 FEADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000363518781 555125985 /nfs/dbraw/zinc/12/59/85/555125985.db2.gz AIMJCJOJVLLZRP-PKOBYXMFSA-N 1 3 361.534 2.323 20 0 FEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000363518781 555125987 /nfs/dbraw/zinc/12/59/87/555125987.db2.gz AIMJCJOJVLLZRP-PKOBYXMFSA-N 1 3 361.534 2.323 20 0 FEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000363520088 555126446 /nfs/dbraw/zinc/12/64/46/555126446.db2.gz CVRICDOJTOCBHC-ICSRJNTNSA-N 1 3 373.545 2.467 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000363593891 555143916 /nfs/dbraw/zinc/14/39/16/555143916.db2.gz SDAXWULTEGMFCN-WJFTUGDTSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000363593891 555143919 /nfs/dbraw/zinc/14/39/19/555143919.db2.gz SDAXWULTEGMFCN-WJFTUGDTSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000363969039 555223863 /nfs/dbraw/zinc/22/38/63/555223863.db2.gz XMRCBROTTJSVAF-KSSFIOAISA-N 1 3 362.543 2.494 20 0 FEADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000363969039 555223866 /nfs/dbraw/zinc/22/38/66/555223866.db2.gz XMRCBROTTJSVAF-KSSFIOAISA-N 1 3 362.543 2.494 20 0 FEADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000363969037 555224042 /nfs/dbraw/zinc/22/40/42/555224042.db2.gz XMRCBROTTJSVAF-KDOFPFPSSA-N 1 3 362.543 2.494 20 0 FEADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000363969037 555224043 /nfs/dbraw/zinc/22/40/43/555224043.db2.gz XMRCBROTTJSVAF-KDOFPFPSSA-N 1 3 362.543 2.494 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCSC1 ZINC000513168305 561927769 /nfs/dbraw/zinc/92/77/69/561927769.db2.gz YURATBYBMRXSLK-IAGOWNOFSA-N 1 3 356.580 2.187 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCSC1 ZINC000513168305 561927771 /nfs/dbraw/zinc/92/77/71/561927771.db2.gz YURATBYBMRXSLK-IAGOWNOFSA-N 1 3 356.580 2.187 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000365501778 555592579 /nfs/dbraw/zinc/59/25/79/555592579.db2.gz BGKPGBQDMLNJNJ-OAHLLOKOSA-N 1 3 366.550 2.190 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513525330 561941881 /nfs/dbraw/zinc/94/18/81/561941881.db2.gz KSWAYIOLHLAOOR-WIYYLYMNSA-N 1 3 353.514 2.376 20 0 FEADHO CC[C@H]1CN(Cc2ccccc2N2CCN(CC)CC2)CC[N@@H+]1C[C@H](C)O ZINC000513606601 561944304 /nfs/dbraw/zinc/94/43/04/561944304.db2.gz RJINQGLUPXSBIJ-FPOVZHCZSA-N 1 3 374.573 2.106 20 0 FEADHO CC[C@H]1CN(Cc2ccccc2N2CCN(CC)CC2)CC[N@H+]1C[C@H](C)O ZINC000513606601 561944305 /nfs/dbraw/zinc/94/43/05/561944305.db2.gz RJINQGLUPXSBIJ-FPOVZHCZSA-N 1 3 374.573 2.106 20 0 FEADHO C[C@H](C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1)[C@H](N)c1ccccc1 ZINC000366325298 555812250 /nfs/dbraw/zinc/81/22/50/555812250.db2.gz PJDGEPQWSOGBND-JXFKEZNVSA-N 1 3 359.514 2.424 20 0 FEADHO O=C(CN1CC[C@@H]([C@H]2CCOC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000366660143 555901678 /nfs/dbraw/zinc/90/16/78/555901678.db2.gz YREJPUSWDAYTRG-RTWAWAEBSA-N 1 3 371.525 2.257 20 0 FEADHO CC[N@H+](CCC1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)CC1)CC1CC1 ZINC000514122296 561961174 /nfs/dbraw/zinc/96/11/74/561961174.db2.gz GWSHDRXVBBZGMV-IBGZPJMESA-N 1 3 371.591 2.102 20 0 FEADHO CC[N@@H+](CCC1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)CC1)CC1CC1 ZINC000514122296 561961175 /nfs/dbraw/zinc/96/11/75/561961175.db2.gz GWSHDRXVBBZGMV-IBGZPJMESA-N 1 3 371.591 2.102 20 0 FEADHO CCC[C@@H]1CNCCN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000514590927 561968486 /nfs/dbraw/zinc/96/84/86/561968486.db2.gz OYJJHDVXOZBYRP-UXHICEINSA-N 1 3 374.529 2.061 20 0 FEADHO CCC[C@@H]1CNCCN1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000514590927 561968488 /nfs/dbraw/zinc/96/84/88/561968488.db2.gz OYJJHDVXOZBYRP-UXHICEINSA-N 1 3 374.529 2.061 20 0 FEADHO CN(c1ccccc1C[NH2+]C[C@@H](CO)c1cccnc1)C1CCN(C)CC1 ZINC000367471123 556059305 /nfs/dbraw/zinc/05/93/05/556059305.db2.gz YSWWSMICKACKPS-FQEVSTJZSA-N 1 3 368.525 2.478 20 0 FEADHO CCN1CC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000367596318 556093143 /nfs/dbraw/zinc/09/31/43/556093143.db2.gz GZCIUYCQEMTQLT-NJAFHUGGSA-N 1 3 367.534 2.332 20 0 FEADHO CC[N@@H+]1CC[C@H](CN[C@@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000367596318 556093146 /nfs/dbraw/zinc/09/31/46/556093146.db2.gz GZCIUYCQEMTQLT-NJAFHUGGSA-N 1 3 367.534 2.332 20 0 FEADHO CC[N@H+]1CC[C@H](CN[C@@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000367596318 556093151 /nfs/dbraw/zinc/09/31/51/556093151.db2.gz GZCIUYCQEMTQLT-NJAFHUGGSA-N 1 3 367.534 2.332 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000368839685 556426588 /nfs/dbraw/zinc/42/65/88/556426588.db2.gz XSCHBLIBKKJSDW-LJQANCHMSA-N 1 3 373.545 2.120 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000368839685 556426591 /nfs/dbraw/zinc/42/65/91/556426591.db2.gz XSCHBLIBKKJSDW-LJQANCHMSA-N 1 3 373.545 2.120 20 0 FEADHO c1ccc(N2CCO[C@H](CN3CCC(OCC[NH+]4CCCC4)CC3)C2)cc1 ZINC000515863286 562024254 /nfs/dbraw/zinc/02/42/54/562024254.db2.gz USVNKLSUWLCCBI-JOCHJYFZSA-N 1 3 373.541 2.469 20 0 FEADHO C[C@@H](CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)[N@H+](C)C1CC1 ZINC000369200504 556534178 /nfs/dbraw/zinc/53/41/78/556534178.db2.gz KJTSLKPUIFOIJS-WMZOPIPTSA-N 1 3 359.518 2.076 20 0 FEADHO C[C@@H](CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)[N@@H+](C)C1CC1 ZINC000369200504 556534179 /nfs/dbraw/zinc/53/41/79/556534179.db2.gz KJTSLKPUIFOIJS-WMZOPIPTSA-N 1 3 359.518 2.076 20 0 FEADHO Cc1nn(C)c2ncc(C[NH2+]CC3(N4CCCCC4)CCN(C)CC3)cc12 ZINC000516034871 562028461 /nfs/dbraw/zinc/02/84/61/562028461.db2.gz HGNZASVSHDDHQX-UHFFFAOYSA-N 1 3 370.545 2.317 20 0 FEADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369404127 556592902 /nfs/dbraw/zinc/59/29/02/556592902.db2.gz YCCQNZWZIXOSLQ-CEXWTWQISA-N 1 3 368.566 2.105 20 0 FEADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369404127 556592904 /nfs/dbraw/zinc/59/29/04/556592904.db2.gz YCCQNZWZIXOSLQ-CEXWTWQISA-N 1 3 368.566 2.105 20 0 FEADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000369404130 556592938 /nfs/dbraw/zinc/59/29/38/556592938.db2.gz YCCQNZWZIXOSLQ-IPMKNSEASA-N 1 3 368.566 2.105 20 0 FEADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000369404130 556592940 /nfs/dbraw/zinc/59/29/40/556592940.db2.gz YCCQNZWZIXOSLQ-IPMKNSEASA-N 1 3 368.566 2.105 20 0 FEADHO C[C@H](NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)C(C)(C)C[NH+](C)C ZINC000369509687 556615089 /nfs/dbraw/zinc/61/50/89/556615089.db2.gz MFIBPNXTSJJMJK-SZMVWBNQSA-N 1 3 361.534 2.350 20 0 FEADHO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2CCCN2CCN(C(C)C)CC2)n1 ZINC000369526158 556621011 /nfs/dbraw/zinc/62/10/11/556621011.db2.gz FNKJOCLISUTGMI-HXUWFJFHSA-N 1 3 362.566 2.166 20 0 FEADHO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2CCCN2CCN(C(C)C)CC2)n1 ZINC000369526158 556621015 /nfs/dbraw/zinc/62/10/15/556621015.db2.gz FNKJOCLISUTGMI-HXUWFJFHSA-N 1 3 362.566 2.166 20 0 FEADHO C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000369860982 556714702 /nfs/dbraw/zinc/71/47/02/556714702.db2.gz RGQMVEAVGOGULH-SXLOBPIMSA-N 1 3 354.498 2.260 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000370304520 556834988 /nfs/dbraw/zinc/83/49/88/556834988.db2.gz YWOROOJBHRIJCF-YLJYHZDGSA-N 1 3 373.545 2.070 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000370304520 556834990 /nfs/dbraw/zinc/83/49/90/556834990.db2.gz YWOROOJBHRIJCF-YLJYHZDGSA-N 1 3 373.545 2.070 20 0 FEADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000370624961 556923861 /nfs/dbraw/zinc/92/38/61/556923861.db2.gz SFTGFLQYQTWUBH-AEFFLSMTSA-N 1 3 372.513 2.462 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000370635067 556926854 /nfs/dbraw/zinc/92/68/54/556926854.db2.gz NWZSKSOQWSIRQB-FUHWJXTLSA-N 1 3 354.502 2.086 20 0 FEADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000370677645 556937489 /nfs/dbraw/zinc/93/74/89/556937489.db2.gz YQDNQHLNJLJEQH-MISYRCLQSA-N 1 3 359.514 2.204 20 0 FEADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000370677645 556937490 /nfs/dbraw/zinc/93/74/90/556937490.db2.gz YQDNQHLNJLJEQH-MISYRCLQSA-N 1 3 359.514 2.204 20 0 FEADHO COCCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370703923 556944891 /nfs/dbraw/zinc/94/48/91/556944891.db2.gz VMBAVHPVEWGRAJ-NQIIRXRSSA-N 1 3 361.530 2.170 20 0 FEADHO COCCOc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370703923 556944892 /nfs/dbraw/zinc/94/48/92/556944892.db2.gz VMBAVHPVEWGRAJ-NQIIRXRSSA-N 1 3 361.530 2.170 20 0 FEADHO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000517018043 562071582 /nfs/dbraw/zinc/07/15/82/562071582.db2.gz FDOCHIPFTUORKU-UHFFFAOYSA-N 1 3 369.469 2.159 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000517418663 562089579 /nfs/dbraw/zinc/08/95/79/562089579.db2.gz HZQHRRVRRHMOBH-SJORKVTESA-N 1 3 368.566 2.438 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000517418663 562089580 /nfs/dbraw/zinc/08/95/80/562089580.db2.gz HZQHRRVRRHMOBH-SJORKVTESA-N 1 3 368.566 2.438 20 0 FEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000371280915 557129760 /nfs/dbraw/zinc/12/97/60/557129760.db2.gz SPTDYESGZVQLNB-UXPWSPDFSA-N 1 3 352.482 2.498 20 0 FEADHO C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000371320529 557144941 /nfs/dbraw/zinc/14/49/41/557144941.db2.gz FORFTNMYSOABRR-HUUCEWRRSA-N 1 3 364.534 2.196 20 0 FEADHO C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371320529 557144945 /nfs/dbraw/zinc/14/49/45/557144945.db2.gz FORFTNMYSOABRR-HUUCEWRRSA-N 1 3 364.534 2.196 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000517418567 562089475 /nfs/dbraw/zinc/08/94/75/562089475.db2.gz CSSFBDPZRUPEAO-SJORKVTESA-N 1 3 368.566 2.295 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000517418567 562089476 /nfs/dbraw/zinc/08/94/76/562089476.db2.gz CSSFBDPZRUPEAO-SJORKVTESA-N 1 3 368.566 2.295 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)NCCN3CCCCC3)CCCC2)CC1 ZINC000517422285 562089913 /nfs/dbraw/zinc/08/99/13/562089913.db2.gz QBDNERHKOGOHJQ-UHFFFAOYSA-N 1 3 366.550 2.195 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1coc(-c2ccc(OC)cc2)n1 ZINC000371563756 557223502 /nfs/dbraw/zinc/22/35/02/557223502.db2.gz LHUUJJYCGZTFBN-KRWDZBQOSA-N 1 3 371.485 2.491 20 0 FEADHO CC[N@H+](C)CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(OC)cc1 ZINC000371654411 557252335 /nfs/dbraw/zinc/25/23/35/557252335.db2.gz RMFQROXHBUFARP-HKUYNNGSSA-N 1 3 362.518 2.329 20 0 FEADHO CC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(OC)cc1 ZINC000371654411 557252338 /nfs/dbraw/zinc/25/23/38/557252338.db2.gz RMFQROXHBUFARP-HKUYNNGSSA-N 1 3 362.518 2.329 20 0 FEADHO O=C(NCCC1=CC[NH2+]CC1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000518345413 562109251 /nfs/dbraw/zinc/10/92/51/562109251.db2.gz FZIZBTHSAJWUKT-UHFFFAOYSA-N 1 3 374.451 2.401 20 0 FEADHO CN1CCC([NH+]2CCC(CCNC(=O)[C@H]3CCCc4[nH]ncc43)CC2)CC1 ZINC000371930222 557331510 /nfs/dbraw/zinc/33/15/10/557331510.db2.gz ARIBZJYPAOCFPO-SFHVURJKSA-N 1 3 373.545 2.142 20 0 FEADHO Cn1c(Cl)cnc1CN1CCC[N@H+](CC[C@H]2CCCCN2C)CC1 ZINC000372016669 557356818 /nfs/dbraw/zinc/35/68/18/557356818.db2.gz HHDVLJKTEKRJSD-MRXNPFEDSA-N 1 3 353.942 2.456 20 0 FEADHO Cn1c(Cl)cnc1CN1CCC[N@@H+](CC[C@H]2CCCCN2C)CC1 ZINC000372016669 557356821 /nfs/dbraw/zinc/35/68/21/557356821.db2.gz HHDVLJKTEKRJSD-MRXNPFEDSA-N 1 3 353.942 2.456 20 0 FEADHO CC(C)N(C(=O)[C@@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000372367722 557452420 /nfs/dbraw/zinc/45/24/20/557452420.db2.gz HNUFWUAFBMOWTB-IEBWSBKVSA-N 1 3 352.567 2.121 20 0 FEADHO CN1CC[NH+](CC2(C)CCN(CCOCC(F)(F)C(F)F)CC2)CC1 ZINC000372732140 557549170 /nfs/dbraw/zinc/54/91/70/557549170.db2.gz LOYDKVCQZXWZPZ-UHFFFAOYSA-N 1 3 369.447 2.253 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC[C@@H]3C3CCC3)CC2)CC1 ZINC000519650266 562138561 /nfs/dbraw/zinc/13/85/61/562138561.db2.gz OLLQEALOADKFDV-HXUWFJFHSA-N 1 3 363.546 2.210 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@H](CC[NH3+])C3)c2)CC1 ZINC000519748394 562142140 /nfs/dbraw/zinc/14/21/40/562142140.db2.gz QZENRMISSSHPAZ-QGZVFWFLSA-N 1 3 359.518 2.421 20 0 FEADHO CN1CCC(Oc2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cn2)CC1 ZINC000373366166 557679978 /nfs/dbraw/zinc/67/99/78/557679978.db2.gz PUECITDLRCHJNH-UHFFFAOYSA-N 1 3 358.486 2.368 20 0 FEADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000373453619 557696397 /nfs/dbraw/zinc/69/63/97/557696397.db2.gz OUNKAMSRRPPARJ-QRVBRYPASA-N 1 3 365.562 2.455 20 0 FEADHO CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374298469 557861047 /nfs/dbraw/zinc/86/10/47/557861047.db2.gz VQTMJPMEAFCWNL-CVEARBPZSA-N 1 3 364.534 2.053 20 0 FEADHO CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374298469 557861049 /nfs/dbraw/zinc/86/10/49/557861049.db2.gz VQTMJPMEAFCWNL-CVEARBPZSA-N 1 3 364.534 2.053 20 0 FEADHO C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccc(OCCN(C)C)cc1 ZINC000375844354 558088327 /nfs/dbraw/zinc/08/83/27/558088327.db2.gz COSXJFXTHMNAPI-WMZOPIPTSA-N 1 3 357.502 2.290 20 0 FEADHO CN1CCC(Oc2cc(NC(=O)C3CC[NH+](C4CC4)CC3)ccn2)CC1 ZINC000376109645 558128193 /nfs/dbraw/zinc/12/81/93/558128193.db2.gz DEWDEHCXAFSCDJ-UHFFFAOYSA-N 1 3 358.486 2.368 20 0 FEADHO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000376134479 558131359 /nfs/dbraw/zinc/13/13/59/558131359.db2.gz WOGLEPKWBRBTDK-CVEARBPZSA-N 1 3 350.894 2.489 20 0 FEADHO O=C(c1cc(Cl)c[nH]1)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000376134479 558131360 /nfs/dbraw/zinc/13/13/60/558131360.db2.gz WOGLEPKWBRBTDK-CVEARBPZSA-N 1 3 350.894 2.489 20 0 FEADHO O=C(c1cc(Cl)c[nH]1)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000376134479 558131362 /nfs/dbraw/zinc/13/13/62/558131362.db2.gz WOGLEPKWBRBTDK-CVEARBPZSA-N 1 3 350.894 2.489 20 0 FEADHO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCC(=O)N3C)CC[C@@H]1N1CCN(C)CC1 ZINC000376322979 558157987 /nfs/dbraw/zinc/15/79/87/558157987.db2.gz FYRHDHARLZDTHR-PXNSSMCTSA-N 1 3 370.541 2.053 20 0 FEADHO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCC(=O)N3C)CC[C@@H]1N1CCN(C)CC1 ZINC000376322979 558157988 /nfs/dbraw/zinc/15/79/88/558157988.db2.gz FYRHDHARLZDTHR-PXNSSMCTSA-N 1 3 370.541 2.053 20 0 FEADHO CC1(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC[NH+](Cc2ccccc2)CC1 ZINC000376942008 558242471 /nfs/dbraw/zinc/24/24/71/558242471.db2.gz WWRXSSJDLBIIRF-PMACEKPBSA-N 1 3 371.525 2.268 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000522256669 562195215 /nfs/dbraw/zinc/19/52/15/562195215.db2.gz NEPZNVHNDAMGFC-WOIUINJBSA-N 1 3 373.541 2.108 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCOC3CCCCC3)CC2)CC1 ZINC000522114612 562191833 /nfs/dbraw/zinc/19/18/33/562191833.db2.gz PJTCXIFYADGOSF-UHFFFAOYSA-N 1 3 366.550 2.194 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000522290429 562196286 /nfs/dbraw/zinc/19/62/86/562196286.db2.gz XSXLKWHKLYELSA-QUCCMNQESA-N 1 3 371.529 2.314 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000522290429 562196287 /nfs/dbraw/zinc/19/62/87/562196287.db2.gz XSXLKWHKLYELSA-QUCCMNQESA-N 1 3 371.529 2.314 20 0 FEADHO CCCCNC(=O)[C@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378004163 558461195 /nfs/dbraw/zinc/46/11/95/558461195.db2.gz MWBKYAPFCOMBJX-SFHVURJKSA-N 1 3 366.594 2.419 20 0 FEADHO COCCN1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000522948281 562206509 /nfs/dbraw/zinc/20/65/09/562206509.db2.gz MSGOMLOAOHYKIV-FQEVSTJZSA-N 1 3 374.529 2.192 20 0 FEADHO COCC[C@]1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC[NH2+]C1 ZINC000378212990 558503755 /nfs/dbraw/zinc/50/37/55/558503755.db2.gz YISAAJKAENGWMF-CRAIPNDOSA-N 1 3 351.516 2.017 20 0 FEADHO CN([C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000378295379 558522651 /nfs/dbraw/zinc/52/26/51/558522651.db2.gz PKJSWRIAUWJVAI-PXNSSMCTSA-N 1 3 374.504 2.031 20 0 FEADHO C[NH+]1CCC2(CC1)C[C@H](NC[C@H]1CN(C3CC3)CCO1)c1ccccc1O2 ZINC000378439549 558557334 /nfs/dbraw/zinc/55/73/34/558557334.db2.gz REYDQBCRIKSFGD-ICSRJNTNSA-N 1 3 371.525 2.427 20 0 FEADHO Cc1cc(NC(=O)NCC[NH+](C)C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000378532685 558576938 /nfs/dbraw/zinc/57/69/38/558576938.db2.gz LYLVSHNVUNHIPX-SFHVURJKSA-N 1 3 370.501 2.322 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCN2CCCC[C@@H]2C)[C@H](C)C1 ZINC000523766653 562219365 /nfs/dbraw/zinc/21/93/65/562219365.db2.gz QSDGAJRTPBQNRP-QYZOEREBSA-N 1 3 368.566 2.297 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCCN2CCCC[C@@H]2C)[C@H](C)C1 ZINC000523766653 562219366 /nfs/dbraw/zinc/21/93/66/562219366.db2.gz QSDGAJRTPBQNRP-QYZOEREBSA-N 1 3 368.566 2.297 20 0 FEADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1cccc(Br)c1 ZINC000386968181 558607784 /nfs/dbraw/zinc/60/77/84/558607784.db2.gz XRDTURSBYVMNEB-CZUORRHYSA-N 1 3 369.303 2.263 20 0 FEADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1cccc(Br)c1 ZINC000386968181 558607786 /nfs/dbraw/zinc/60/77/86/558607786.db2.gz XRDTURSBYVMNEB-CZUORRHYSA-N 1 3 369.303 2.263 20 0 FEADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1cccc(Br)c1 ZINC000386968181 558607789 /nfs/dbraw/zinc/60/77/89/558607789.db2.gz XRDTURSBYVMNEB-CZUORRHYSA-N 1 3 369.303 2.263 20 0 FEADHO C[N@H+](CCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)Cc1ccccc1 ZINC000386734499 558607920 /nfs/dbraw/zinc/60/79/20/558607920.db2.gz BYFCAQGWIADNBV-IBGZPJMESA-N 1 3 350.466 2.286 20 0 FEADHO C[N@@H+](CCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)Cc1ccccc1 ZINC000386734499 558607922 /nfs/dbraw/zinc/60/79/22/558607922.db2.gz BYFCAQGWIADNBV-IBGZPJMESA-N 1 3 350.466 2.286 20 0 FEADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H]1C ZINC000409449249 558692061 /nfs/dbraw/zinc/69/20/61/558692061.db2.gz WKAFQPPUAXTCAZ-DOTOQJQBSA-N 1 3 353.532 2.242 20 0 FEADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H]1C ZINC000409449249 558692063 /nfs/dbraw/zinc/69/20/63/558692063.db2.gz WKAFQPPUAXTCAZ-DOTOQJQBSA-N 1 3 353.532 2.242 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000524627299 562231294 /nfs/dbraw/zinc/23/12/94/562231294.db2.gz VIJCGAQJULKOMN-RBUKOAKNSA-N 1 3 362.518 2.042 20 0 FEADHO COc1ccc2cc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)ccc2c1 ZINC000525453094 562248431 /nfs/dbraw/zinc/24/84/31/562248431.db2.gz MVYNIQLAMIBUQX-UHFFFAOYSA-N 1 3 372.513 2.483 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCc2cncs2)CC1 ZINC000411301213 558871922 /nfs/dbraw/zinc/87/19/22/558871922.db2.gz YTQAMDJHJLQHSR-UHFFFAOYSA-N 1 3 352.548 2.102 20 0 FEADHO COC(=O)[C@]1(C)CCCN([C@H](C)CC[N@@H+]2CCC[C@@](C)(C(=O)OC)C2)C1 ZINC000412059139 559008131 /nfs/dbraw/zinc/00/81/31/559008131.db2.gz BPYXGLQNGQMBKM-NSISKUIASA-N 1 3 368.518 2.315 20 0 FEADHO COC(=O)[C@]1(C)CCCN([C@H](C)CC[N@H+]2CCC[C@@](C)(C(=O)OC)C2)C1 ZINC000412059139 559008132 /nfs/dbraw/zinc/00/81/32/559008132.db2.gz BPYXGLQNGQMBKM-NSISKUIASA-N 1 3 368.518 2.315 20 0 FEADHO C[C@@H](CCc1ccsc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414191383 559152422 /nfs/dbraw/zinc/15/24/22/559152422.db2.gz LLHCXKAEZLCWLL-KRWDZBQOSA-N 1 3 351.560 2.455 20 0 FEADHO CC(C)OC1CC([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414561346 559171588 /nfs/dbraw/zinc/17/15/88/559171588.db2.gz YVETXVDOUHVDAN-UHFFFAOYSA-N 1 3 359.514 2.430 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCc2ccc(CN(C)C)cc2)cc1 ZINC000414662985 559178028 /nfs/dbraw/zinc/17/80/28/559178028.db2.gz QXCPISUEIORSIM-CQSZACIVSA-N 1 3 354.454 2.023 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000414664685 559178061 /nfs/dbraw/zinc/17/80/61/559178061.db2.gz UHCASBBXTWFNOO-IBGZPJMESA-N 1 3 368.481 2.283 20 0 FEADHO COc1ccc(C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)[C@@H](C)C2CC2)cc1 ZINC000414682473 559179295 /nfs/dbraw/zinc/17/92/95/559179295.db2.gz RGYSJKBNSTVUMA-FUHWJXTLSA-N 1 3 359.514 2.493 20 0 FEADHO COc1ccc(C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)[C@@H](C)C2CC2)cc1 ZINC000414682473 559179296 /nfs/dbraw/zinc/17/92/96/559179296.db2.gz RGYSJKBNSTVUMA-FUHWJXTLSA-N 1 3 359.514 2.493 20 0 FEADHO CC[NH+](CC)CCN(Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414687417 559179811 /nfs/dbraw/zinc/17/98/11/559179811.db2.gz HIYATSXSYFMZKZ-FQEVSTJZSA-N 1 3 360.546 2.028 20 0 FEADHO CC[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414706489 559181211 /nfs/dbraw/zinc/18/12/11/559181211.db2.gz MTUHWBSIFDEQDN-SFTDATJTSA-N 1 3 372.557 2.028 20 0 FEADHO CC[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414706489 559181212 /nfs/dbraw/zinc/18/12/12/559181212.db2.gz MTUHWBSIFDEQDN-SFTDATJTSA-N 1 3 372.557 2.028 20 0 FEADHO CC(C)([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1Br ZINC000414715846 559181757 /nfs/dbraw/zinc/18/17/57/559181757.db2.gz XGTNTDIHPSKIQE-CYBMUJFWSA-N 1 3 368.319 2.471 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414738258 559183568 /nfs/dbraw/zinc/18/35/68/559183568.db2.gz HTVBZKLUXDNURC-HUUCEWRRSA-N 1 3 372.513 2.101 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414738256 559183651 /nfs/dbraw/zinc/18/36/51/559183651.db2.gz HTVBZKLUXDNURC-GASCZTMLSA-N 1 3 372.513 2.101 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414738256 559183652 /nfs/dbraw/zinc/18/36/52/559183652.db2.gz HTVBZKLUXDNURC-GASCZTMLSA-N 1 3 372.513 2.101 20 0 FEADHO C[C@@H]1C[C@H](CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414740995 559183752 /nfs/dbraw/zinc/18/37/52/559183752.db2.gz ROOQFDBMWHBAOO-HZPDHXFCSA-N 1 3 364.921 2.284 20 0 FEADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414741081 559183929 /nfs/dbraw/zinc/18/39/29/559183929.db2.gz HBEBPOXJZQJIEN-BRWVUGGUSA-N 1 3 362.493 2.158 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000414864999 559191766 /nfs/dbraw/zinc/19/17/66/559191766.db2.gz CKNYSPMXLCYEAJ-UHFFFAOYSA-N 1 3 372.513 2.212 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[C@H]1CCC[NH2+]1 ZINC000414904478 559194250 /nfs/dbraw/zinc/19/42/50/559194250.db2.gz LRFUXNNSESIIFZ-GDBMZVCRSA-N 1 3 358.486 2.484 20 0 FEADHO Cn1cc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(-c2cccs2)n1 ZINC000414985512 559198955 /nfs/dbraw/zinc/19/89/55/559198955.db2.gz MXNAFHQXEGMBJA-CQSZACIVSA-N 1 3 373.448 2.074 20 0 FEADHO Fc1cccc(Cl)c1CN1CCC([NH2+]C[C@H]2CNCCCO2)CC1 ZINC000415045707 559202241 /nfs/dbraw/zinc/20/22/41/559202241.db2.gz UAZXUWXAQOBFPA-OAHLLOKOSA-N 1 3 355.885 2.412 20 0 FEADHO Fc1cccc(Cl)c1CN1CCC(NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000415045707 559202242 /nfs/dbraw/zinc/20/22/42/559202242.db2.gz UAZXUWXAQOBFPA-OAHLLOKOSA-N 1 3 355.885 2.412 20 0 FEADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000415113039 559205957 /nfs/dbraw/zinc/20/59/57/559205957.db2.gz WEMAAPBYWDFWAI-JSXRDJHFSA-N 1 3 371.504 2.415 20 0 FEADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000415113046 559205964 /nfs/dbraw/zinc/20/59/64/559205964.db2.gz WEMAAPBYWDFWAI-XSDIEEQYSA-N 1 3 371.504 2.415 20 0 FEADHO [NH3+]Cc1cn([C@H]2CCCN(Cc3cccc(OC(F)(F)F)c3)C2)nn1 ZINC000415134252 559207134 /nfs/dbraw/zinc/20/71/34/559207134.db2.gz VVDBLEKMDNROKV-AWEZNQCLSA-N 1 3 355.364 2.473 20 0 FEADHO C[C@H](Cc1ccccc1)CN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415134757 559207535 /nfs/dbraw/zinc/20/75/35/559207535.db2.gz DYBFQIGWNQVDOG-AHRSYUTCSA-N 1 3 356.514 2.085 20 0 FEADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC000415164521 559210787 /nfs/dbraw/zinc/21/07/87/559210787.db2.gz YOENKJHMGRDXIS-KXBFYZLASA-N 1 3 368.481 2.152 20 0 FEADHO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cccc(CN(CC)CC)c2)CC1 ZINC000415474407 559241389 /nfs/dbraw/zinc/24/13/89/559241389.db2.gz DCSCTHVFIPGWHM-UHFFFAOYSA-N 1 3 374.529 2.315 20 0 FEADHO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1)C1CCCC1 ZINC000415847345 559278155 /nfs/dbraw/zinc/27/81/55/559278155.db2.gz UNELPTCESKDXST-LJQANCHMSA-N 1 3 372.513 2.245 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C)CN2CCN(CC)CC2)c1 ZINC000415911571 559282269 /nfs/dbraw/zinc/28/22/69/559282269.db2.gz YHKOTKUPQNHSNK-KRWDZBQOSA-N 1 3 361.534 2.191 20 0 FEADHO CNCc1ccccc1NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000415914163 559282332 /nfs/dbraw/zinc/28/23/32/559282332.db2.gz UZRFVQJOORXXJZ-HDICACEKSA-N 1 3 373.545 2.428 20 0 FEADHO CNCc1ccccc1NC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000415914163 559282333 /nfs/dbraw/zinc/28/23/33/559282333.db2.gz UZRFVQJOORXXJZ-HDICACEKSA-N 1 3 373.545 2.428 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000415917486 559282642 /nfs/dbraw/zinc/28/26/42/559282642.db2.gz JSSHUKFYHVBGBJ-QGZVFWFLSA-N 1 3 373.545 2.428 20 0 FEADHO C[NH2+]Cc1ccccc1NC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000415920070 559282689 /nfs/dbraw/zinc/28/26/89/559282689.db2.gz JEIRFBMWDLKQCZ-UHFFFAOYSA-N 1 3 355.442 2.164 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)NCCCCN1CCN(CC)CC1 ZINC000415944312 559283756 /nfs/dbraw/zinc/28/37/56/559283756.db2.gz OYJBLTLPGSHICZ-UHFFFAOYSA-N 1 3 361.534 2.335 20 0 FEADHO CN(CCCN(C)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)Cc1ccco1 ZINC000415955579 559284481 /nfs/dbraw/zinc/28/44/81/559284481.db2.gz IARYPQNOAHXWLE-MRXNPFEDSA-N 1 3 371.485 2.476 20 0 FEADHO O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416001005 559288513 /nfs/dbraw/zinc/28/85/13/559288513.db2.gz YHXLLXDHNJKWAS-PMACEKPBSA-N 1 3 366.465 2.047 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)CCN1Cc1ccccc1 ZINC000416037519 559290398 /nfs/dbraw/zinc/29/03/98/559290398.db2.gz BTQHXGHJHBSVPN-BPLDGKMQSA-N 1 3 358.408 2.228 20 0 FEADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000416840270 559334676 /nfs/dbraw/zinc/33/46/76/559334676.db2.gz KUZWUBPGWYMADV-IBGZPJMESA-N 1 3 356.514 2.436 20 0 FEADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000416843662 559334836 /nfs/dbraw/zinc/33/48/36/559334836.db2.gz PEUIDJXJADGWEM-VAMGGRTRSA-N 1 3 356.514 2.292 20 0 FEADHO O=C(NCc1ccccc1CN1CCCCC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000416910860 559337771 /nfs/dbraw/zinc/33/77/71/559337771.db2.gz ZUXSLIFCXRIRRE-ICSRJNTNSA-N 1 3 356.514 2.423 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1cccc(OC)c1 ZINC000416927346 559338825 /nfs/dbraw/zinc/33/88/25/559338825.db2.gz SHDVWOWBJMZGBO-NEWSRXKRSA-N 1 3 360.502 2.081 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1cccc(OC)c1 ZINC000416926618 559338833 /nfs/dbraw/zinc/33/88/33/559338833.db2.gz ROTPFMBPIDFHAU-ZYSHUDEJSA-N 1 3 362.518 2.457 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000416973189 559341141 /nfs/dbraw/zinc/34/11/41/559341141.db2.gz UHGZHGSVIOGNKJ-JWTNVVGKSA-N 1 3 360.502 2.051 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCCNCc2cccnc2)C1 ZINC000417023838 559344454 /nfs/dbraw/zinc/34/44/54/559344454.db2.gz LWPLMPJXTQXRCZ-HDICACEKSA-N 1 3 361.534 2.229 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCCNCc2cccnc2)C1 ZINC000417023838 559344455 /nfs/dbraw/zinc/34/44/55/559344455.db2.gz LWPLMPJXTQXRCZ-HDICACEKSA-N 1 3 361.534 2.229 20 0 FEADHO CC(C)(CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000417090799 559347441 /nfs/dbraw/zinc/34/74/41/559347441.db2.gz YQSRCIMBZQQYDY-MOPGFXCFSA-N 1 3 356.514 2.217 20 0 FEADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417309817 559357079 /nfs/dbraw/zinc/35/70/79/559357079.db2.gz KHEAWDKBNLGCKQ-ZCNNSNEGSA-N 1 3 356.514 2.292 20 0 FEADHO CC[NH2+]CC1CCN(C(=O)NCc2ccccc2OCCN(C)C)CC1 ZINC000417371151 559359755 /nfs/dbraw/zinc/35/97/55/559359755.db2.gz VENDJKZUQWIFPG-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417378189 559360136 /nfs/dbraw/zinc/36/01/36/559360136.db2.gz HCKLNMJYKZUDAO-AEFFLSMTSA-N 1 3 362.543 2.354 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccccc1 ZINC000417492201 559364316 /nfs/dbraw/zinc/36/43/16/559364316.db2.gz LNXLWPKDYJBQPN-AOIWGVFYSA-N 1 3 362.518 2.088 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccccc1 ZINC000417492201 559364317 /nfs/dbraw/zinc/36/43/17/559364317.db2.gz LNXLWPKDYJBQPN-AOIWGVFYSA-N 1 3 362.518 2.088 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000417515873 559365598 /nfs/dbraw/zinc/36/55/98/559365598.db2.gz MFSSVIFSGUHXHB-FPOVZHCZSA-N 1 3 374.529 2.091 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000417550921 559366602 /nfs/dbraw/zinc/36/66/02/559366602.db2.gz XRDCIYKFXABVCP-HNNXBMFYSA-N 1 3 362.518 2.395 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417623468 559369339 /nfs/dbraw/zinc/36/93/39/559369339.db2.gz IYPFIUWCUHYJPZ-GOSISDBHSA-N 1 3 366.575 2.133 20 0 FEADHO COC[C@]1(CNC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CCC[NH2+]1 ZINC000417622317 559369391 /nfs/dbraw/zinc/36/93/91/559369391.db2.gz IFQMUTISTZJRJW-OXQOHEQNSA-N 1 3 362.518 2.184 20 0 FEADHO [NH3+]CC[C@H](NC(=O)NCC1(N2CCSCC2)CCCCC1)C(F)F ZINC000417631217 559369565 /nfs/dbraw/zinc/36/95/65/559369565.db2.gz VRGUTBCYXDRVLW-ZDUSSCGKSA-N 1 3 364.506 2.020 20 0 FEADHO COc1cc(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)ccc1OCCN(C)C ZINC000417685337 559372364 /nfs/dbraw/zinc/37/23/64/559372364.db2.gz PAMAJYPMVGTHJK-HNNXBMFYSA-N 1 3 366.506 2.486 20 0 FEADHO COc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)ccc1OCCN(C)C ZINC000417685337 559372365 /nfs/dbraw/zinc/37/23/65/559372365.db2.gz PAMAJYPMVGTHJK-HNNXBMFYSA-N 1 3 366.506 2.486 20 0 FEADHO CCc1ccccc1[C@H](N)CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000417688588 559372428 /nfs/dbraw/zinc/37/24/28/559372428.db2.gz XGNQHYJPEYDTFK-OXJNMPFZSA-N 1 3 374.529 2.049 20 0 FEADHO CC(C)(C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H](N)c1ccccc1 ZINC000417784113 559376266 /nfs/dbraw/zinc/37/62/66/559376266.db2.gz OEPNHXAATXGZIP-SFHVURJKSA-N 1 3 353.470 2.156 20 0 FEADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418069740 559388844 /nfs/dbraw/zinc/38/88/44/559388844.db2.gz FURSVKXFNLOMRI-HKUYNNGSSA-N 1 3 362.518 2.094 20 0 FEADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)c1ccco1 ZINC000418167997 559392763 /nfs/dbraw/zinc/39/27/63/559392763.db2.gz NHZAFIXJSGKTRN-WBVHZDCISA-N 1 3 366.506 2.248 20 0 FEADHO O=C(NC1CC[NH2+]CC1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418311705 559397062 /nfs/dbraw/zinc/39/70/62/559397062.db2.gz RNHWMLHJRFVLMB-NRFANRHFSA-N 1 3 356.514 2.436 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418340588 559398210 /nfs/dbraw/zinc/39/82/10/559398210.db2.gz GNNCRCROMRNOHG-OAHLLOKOSA-N 1 3 368.472 2.428 20 0 FEADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000418349894 559398725 /nfs/dbraw/zinc/39/87/25/559398725.db2.gz SLPJIELKYSPMNK-HOCLYGCPSA-N 1 3 368.472 2.426 20 0 FEADHO O=C(N[C@@H]1CCCC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418365931 559399307 /nfs/dbraw/zinc/39/93/07/559399307.db2.gz INASQFAHSUJZRN-SLFFLAALSA-N 1 3 356.514 2.292 20 0 FEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H](N)c2ccccc2)cc1 ZINC000418405215 559400396 /nfs/dbraw/zinc/40/03/96/559400396.db2.gz BAGXJQNJFFYAPA-ZCNNSNEGSA-N 1 3 368.481 2.140 20 0 FEADHO CCCC[C@@H](C[NH3+])NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000418470488 559402955 /nfs/dbraw/zinc/40/29/55/559402955.db2.gz QYCKHFOAVRIYDM-SFHVURJKSA-N 1 3 361.534 2.247 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418543089 559405516 /nfs/dbraw/zinc/40/55/16/559405516.db2.gz OTLZENSOZBZHTP-IBGZPJMESA-N 1 3 350.482 2.289 20 0 FEADHO O=C(NCC[C@H]1CCC[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000418550681 559405813 /nfs/dbraw/zinc/40/58/13/559405813.db2.gz OKCJXRLJRPADBD-XUVXKRRUSA-N 1 3 356.514 2.292 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418726260 559412602 /nfs/dbraw/zinc/41/26/02/559412602.db2.gz PJNKYPFBUXBHBQ-YJBOKZPZSA-N 1 3 350.482 2.416 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000418778185 559415563 /nfs/dbraw/zinc/41/55/63/559415563.db2.gz WBQIFWJGFWKUHD-GOSISDBHSA-N 1 3 362.518 2.301 20 0 FEADHO C[N@H+](CCCCN[C@@H](C(N)=O)c1cccc(Br)c1)C1CC1 ZINC000419297140 559435761 /nfs/dbraw/zinc/43/57/61/559435761.db2.gz FUYNKOFXCNPCJE-OAHLLOKOSA-N 1 3 354.292 2.440 20 0 FEADHO C[N@@H+](CCCCN[C@@H](C(N)=O)c1cccc(Br)c1)C1CC1 ZINC000419297140 559435762 /nfs/dbraw/zinc/43/57/62/559435762.db2.gz FUYNKOFXCNPCJE-OAHLLOKOSA-N 1 3 354.292 2.440 20 0 FEADHO Cc1ccc(-c2noc(CN3CCN(CC[C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000420306606 559479487 /nfs/dbraw/zinc/47/94/87/559479487.db2.gz QMPJHQGXAPRIPY-KRWDZBQOSA-N 1 3 355.486 2.162 20 0 FEADHO C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320392 559480108 /nfs/dbraw/zinc/48/01/08/559480108.db2.gz BNBVPXAILJCPIJ-ILXRZTDVSA-N 1 3 362.449 2.184 20 0 FEADHO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420340468 559481960 /nfs/dbraw/zinc/48/19/60/559481960.db2.gz PKQVWLKTFFYJPD-YESZJQIVSA-N 1 3 354.498 2.147 20 0 FEADHO COC(=O)c1cccc(OCCN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420371321 559483788 /nfs/dbraw/zinc/48/37/88/559483788.db2.gz DCJHQNGTGNOLIE-RBUKOAKNSA-N 1 3 362.470 2.070 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)CC1 ZINC000421367386 559540270 /nfs/dbraw/zinc/54/02/70/559540270.db2.gz WJHGZXRAYKBENN-IYARVYRRSA-N 1 3 358.530 2.210 20 0 FEADHO CC[C@H](C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1)N(CC)CC ZINC000422018026 559560996 /nfs/dbraw/zinc/56/09/96/559560996.db2.gz JRAYKZBCMUDEME-LJQANCHMSA-N 1 3 352.567 2.125 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc(C)nc(C)c1 ZINC000422203541 559571225 /nfs/dbraw/zinc/57/12/25/559571225.db2.gz INKKMTLGXRSMIA-LJQANCHMSA-N 1 3 361.534 2.256 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc(C)nc(C)c1 ZINC000422203541 559571226 /nfs/dbraw/zinc/57/12/26/559571226.db2.gz INKKMTLGXRSMIA-LJQANCHMSA-N 1 3 361.534 2.256 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000422710089 559603755 /nfs/dbraw/zinc/60/37/55/559603755.db2.gz KXFDKSHSTTXAJN-FQLMCAECSA-N 1 3 368.319 2.370 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CC[NH2+]CC[C@H]2C)s1 ZINC000422710278 559603944 /nfs/dbraw/zinc/60/39/44/559603944.db2.gz FORNHIUKLJSAIQ-ZBFHGGJFSA-N 1 3 373.588 2.299 20 0 FEADHO COc1cc(C[C@H](CO)CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc(OC)c1 ZINC000422826950 559607774 /nfs/dbraw/zinc/60/77/74/559607774.db2.gz RPVJRYXGLBDHTN-VRXWPRPYSA-N 1 3 362.514 2.365 20 0 FEADHO CC(C)(C)NC(=O)CN1CCC(C[NH2+][C@H]2C[C@H](N)c3ccccc32)CC1 ZINC000422841094 559608202 /nfs/dbraw/zinc/60/82/02/559608202.db2.gz VEVSUFKVJXXONI-OALUTQOASA-N 1 3 358.530 2.348 20 0 FEADHO CCN1CCN(CCCCN[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422856837 559608748 /nfs/dbraw/zinc/60/87/48/559608748.db2.gz GRWXMNSUXSYTPJ-FCHUYYIVSA-N 1 3 374.573 2.496 20 0 FEADHO C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@]1(N2CCOCC2)CCSC1 ZINC000422898949 559610417 /nfs/dbraw/zinc/61/04/17/559610417.db2.gz GGTMWDHHFMASMK-WJFTUGDTSA-N 1 3 353.576 2.095 20 0 FEADHO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)C[C@@H](C)N)c1 ZINC000422904560 559610641 /nfs/dbraw/zinc/61/06/41/559610641.db2.gz GYHVBLRJKCAHNU-VXGBXAGGSA-N 1 3 372.307 2.293 20 0 FEADHO COc1ccc(Br)c(C(=O)NCCCN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422904560 559610642 /nfs/dbraw/zinc/61/06/42/559610642.db2.gz GYHVBLRJKCAHNU-VXGBXAGGSA-N 1 3 372.307 2.293 20 0 FEADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cnccc1N ZINC000422913573 559611137 /nfs/dbraw/zinc/61/11/37/559611137.db2.gz QHPZJMFKSNJREO-MRXNPFEDSA-N 1 3 367.497 2.171 20 0 FEADHO CC(C)[NH+]1CCN(c2cccc(N[C@H](C3CC3)[C@H]3CNCCO3)c2)CC1 ZINC000423023852 559615544 /nfs/dbraw/zinc/61/55/44/559615544.db2.gz IGZIQJVNACGVOA-NHCUHLMSSA-N 1 3 358.530 2.396 20 0 FEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000423150766 559620979 /nfs/dbraw/zinc/62/09/79/559620979.db2.gz CGWOIYOYXUFGAZ-WQGACYEGSA-N 1 3 359.283 2.456 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000423150766 559620980 /nfs/dbraw/zinc/62/09/80/559620980.db2.gz CGWOIYOYXUFGAZ-WQGACYEGSA-N 1 3 359.283 2.456 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423165657 559621702 /nfs/dbraw/zinc/62/17/02/559621702.db2.gz UQHHDGZDVQNSRA-AGIUHOORSA-N 1 3 359.308 2.324 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)C[C@@H](C)N ZINC000423165657 559621703 /nfs/dbraw/zinc/62/17/03/559621703.db2.gz UQHHDGZDVQNSRA-AGIUHOORSA-N 1 3 359.308 2.324 20 0 FEADHO COc1ccc([C@H](C)NCCCN2CC[NH2+]CC2)c(Br)c1 ZINC000423175690 559622028 /nfs/dbraw/zinc/62/20/28/559622028.db2.gz ASLXZGFRHRIYTI-ZDUSSCGKSA-N 1 3 356.308 2.404 20 0 FEADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000423189632 559622461 /nfs/dbraw/zinc/62/24/61/559622461.db2.gz PVDGGMWTVBDJTI-OAHLLOKOSA-N 1 3 362.499 2.284 20 0 FEADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423360233 559626565 /nfs/dbraw/zinc/62/65/65/559626565.db2.gz QCHBTFRNCZRHMM-AWEZNQCLSA-N 1 3 359.495 2.391 20 0 FEADHO CC[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C(=O)OC)cc1 ZINC000423393646 559627644 /nfs/dbraw/zinc/62/76/44/559627644.db2.gz PKRWRPCBYPXTSE-JKSUJKDBSA-N 1 3 373.419 2.350 20 0 FEADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000423426590 559628866 /nfs/dbraw/zinc/62/88/66/559628866.db2.gz PPNPMDBBNYYRIN-BEFAXECRSA-N 1 3 363.477 2.173 20 0 FEADHO CN(C)C[C@H](NC(=O)c1csc(CC[NH3+])n1)c1ccc(Cl)cc1 ZINC000423770134 559638963 /nfs/dbraw/zinc/63/89/63/559638963.db2.gz HEVQJGQUZPMKJT-ZDUSSCGKSA-N 1 3 352.891 2.330 20 0 FEADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000423793811 559639602 /nfs/dbraw/zinc/63/96/02/559639602.db2.gz JHIBEBIVYDBCPC-UYAOXDASSA-N 1 3 352.482 2.104 20 0 FEADHO NC(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C(F)(F)F ZINC000423913158 559645368 /nfs/dbraw/zinc/64/53/68/559645368.db2.gz WYIOKORRZHJQAQ-HRCADAONSA-N 1 3 355.404 2.389 20 0 FEADHO NC(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C(F)(F)F ZINC000423913158 559645369 /nfs/dbraw/zinc/64/53/69/559645369.db2.gz WYIOKORRZHJQAQ-HRCADAONSA-N 1 3 355.404 2.389 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](C[NH3+])C3CCCC3)cc2)CC1 ZINC000423971309 559648604 /nfs/dbraw/zinc/64/86/04/559648604.db2.gz YJOSCXOBICYLBK-HXUWFJFHSA-N 1 3 358.530 2.464 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2)CC1 ZINC000423994080 559649483 /nfs/dbraw/zinc/64/94/83/559649483.db2.gz HYFDUPBFYSAWAI-MJGOQNOKSA-N 1 3 358.530 2.274 20 0 FEADHO CCOC(=O)CN(C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424298170 559661087 /nfs/dbraw/zinc/66/10/87/559661087.db2.gz TZUFROXMNHPSEQ-QGZVFWFLSA-N 1 3 373.497 2.047 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000424467469 559666394 /nfs/dbraw/zinc/66/63/94/559666394.db2.gz MZUGKIBGZALNOT-DNVCBOLYSA-N 1 3 368.481 2.200 20 0 FEADHO O=C(N[C@H]1CCN(C2CC2)C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425477411 559704363 /nfs/dbraw/zinc/70/43/63/559704363.db2.gz NXEUTFCZYZPUIF-CMKODMSKSA-N 1 3 354.498 2.139 20 0 FEADHO O=C(N[C@H]1CCN(C2CC2)C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425477411 559704364 /nfs/dbraw/zinc/70/43/64/559704364.db2.gz NXEUTFCZYZPUIF-CMKODMSKSA-N 1 3 354.498 2.139 20 0 FEADHO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)C[C@H](C)O1 ZINC000426666788 559739939 /nfs/dbraw/zinc/73/99/39/559739939.db2.gz VMKHXTNXTWITAW-FUHIMQAGSA-N 1 3 363.546 2.351 20 0 FEADHO C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)C[C@H](C)O1 ZINC000426666788 559739940 /nfs/dbraw/zinc/73/99/40/559739940.db2.gz VMKHXTNXTWITAW-FUHIMQAGSA-N 1 3 363.546 2.351 20 0 FEADHO O=C(C[C@H]1CC[NH2+]C1)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000427289183 559752356 /nfs/dbraw/zinc/75/23/56/559752356.db2.gz TUUUZUWAQCOWIO-OAHLLOKOSA-N 1 3 365.905 2.299 20 0 FEADHO C[C@@]1(CNC(=O)NCCNc2cc[nH+]cc2)CCCN1Cc1ccccc1 ZINC000430224974 559815519 /nfs/dbraw/zinc/81/55/19/559815519.db2.gz IIRQCXRANKQFDF-NRFANRHFSA-N 1 3 367.497 2.269 20 0 FEADHO CC(C)[C@H]([NH3+])CCN(C)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000430602265 559824315 /nfs/dbraw/zinc/82/43/15/559824315.db2.gz VZRASHFCRIHALB-GHTZIAJQSA-N 1 3 374.573 2.461 20 0 FEADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430609707 559824652 /nfs/dbraw/zinc/82/46/52/559824652.db2.gz ILZOCKVAPBJWLK-QAPCUYQASA-N 1 3 358.486 2.344 20 0 FEADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430609707 559824653 /nfs/dbraw/zinc/82/46/53/559824653.db2.gz ILZOCKVAPBJWLK-QAPCUYQASA-N 1 3 358.486 2.344 20 0 FEADHO [NH3+]C[C@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1ccccc1 ZINC000430679882 559826287 /nfs/dbraw/zinc/82/62/87/559826287.db2.gz NMRWWQXBISEUDM-FQEVSTJZSA-N 1 3 353.466 2.324 20 0 FEADHO COCC[C@]1(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CC[NH2+]C1 ZINC000430809623 559828580 /nfs/dbraw/zinc/82/85/80/559828580.db2.gz IELWFPZNVMUZJI-HHXXYDBFSA-N 1 3 365.543 2.263 20 0 FEADHO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n(C2CCN(C)CC2)n1 ZINC000431114518 559834360 /nfs/dbraw/zinc/83/43/60/559834360.db2.gz YQXLGTNNVSHUHZ-WBVHZDCISA-N 1 3 360.506 2.207 20 0 FEADHO Cc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n(C2CCN(C)CC2)n1 ZINC000431114518 559834361 /nfs/dbraw/zinc/83/43/61/559834361.db2.gz YQXLGTNNVSHUHZ-WBVHZDCISA-N 1 3 360.506 2.207 20 0 FEADHO CCN1CCN(CCC(=O)N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000431553745 559841366 /nfs/dbraw/zinc/84/13/66/559841366.db2.gz VAHNRRSHMAISBQ-RBUKOAKNSA-N 1 3 352.567 2.031 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCCN1CCOC ZINC000431974676 559849701 /nfs/dbraw/zinc/84/97/01/559849701.db2.gz SKEUSEVGTFCJQX-FHWLQOOXSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433336409 559877513 /nfs/dbraw/zinc/87/75/13/559877513.db2.gz VMCXFYVRUZNWEQ-KSZLIROESA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433336409 559877514 /nfs/dbraw/zinc/87/75/14/559877514.db2.gz VMCXFYVRUZNWEQ-KSZLIROESA-N 1 3 354.539 2.049 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433399654 559880034 /nfs/dbraw/zinc/88/00/34/559880034.db2.gz KBZBMIYUYYUAQO-OALUTQOASA-N 1 3 368.566 2.155 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433399654 559880035 /nfs/dbraw/zinc/88/00/35/559880035.db2.gz KBZBMIYUYYUAQO-OALUTQOASA-N 1 3 368.566 2.155 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCN2CCCO[C@H](C)C2)C[C@H]1C ZINC000433463034 559881986 /nfs/dbraw/zinc/88/19/86/559881986.db2.gz NLQCWLURYZVTEY-KURKYZTESA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCCN2CCCO[C@H](C)C2)C[C@H]1C ZINC000433463034 559881987 /nfs/dbraw/zinc/88/19/87/559881987.db2.gz NLQCWLURYZVTEY-KURKYZTESA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cn(C)nc1C(C)C ZINC000435079782 559915712 /nfs/dbraw/zinc/91/57/12/559915712.db2.gz OEYWZKNZEGRBFU-MRXNPFEDSA-N 1 3 364.538 2.423 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cn(C)nc1C(C)C ZINC000435079782 559915713 /nfs/dbraw/zinc/91/57/13/559915713.db2.gz OEYWZKNZEGRBFU-MRXNPFEDSA-N 1 3 364.538 2.423 20 0 FEADHO C[C@@H](NC1(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCOCC1)c1ccccc1 ZINC000436310957 559939662 /nfs/dbraw/zinc/93/96/62/559939662.db2.gz YDPDPDIUKPAGTR-SFGWALBWSA-N 1 3 371.525 2.392 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)CC3([NH+](C)C)CCC3)CC2)c1 ZINC000438606353 559981282 /nfs/dbraw/zinc/98/12/82/559981282.db2.gz LEHNJLRZTVQORS-UHFFFAOYSA-N 1 3 372.557 2.450 20 0 FEADHO CN(C)C[C@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CCO1 ZINC000442979351 560064931 /nfs/dbraw/zinc/06/49/31/560064931.db2.gz ZLFFKAPILHZQPK-RZUBCFFCSA-N 1 3 371.525 2.078 20 0 FEADHO CN(C)C[C@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000442979351 560064932 /nfs/dbraw/zinc/06/49/32/560064932.db2.gz ZLFFKAPILHZQPK-RZUBCFFCSA-N 1 3 371.525 2.078 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(CN(C)C)c2)C[C@H]1C ZINC000443372789 560082235 /nfs/dbraw/zinc/08/22/35/560082235.db2.gz MNVGNMLKWHONJC-QAPCUYQASA-N 1 3 360.502 2.018 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(CN(C)C)c2)C[C@H]1C ZINC000443372789 560082236 /nfs/dbraw/zinc/08/22/36/560082236.db2.gz MNVGNMLKWHONJC-QAPCUYQASA-N 1 3 360.502 2.018 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN(C)C)c2)C[C@@H]1C ZINC000443372788 560082324 /nfs/dbraw/zinc/08/23/24/560082324.db2.gz MNVGNMLKWHONJC-MAUKXSAKSA-N 1 3 360.502 2.018 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN(C)C)c2)C[C@@H]1C ZINC000443372788 560082325 /nfs/dbraw/zinc/08/23/25/560082325.db2.gz MNVGNMLKWHONJC-MAUKXSAKSA-N 1 3 360.502 2.018 20 0 FEADHO O=C(NCCCOC1CCN(Cc2ccccc2)CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444270301 560107623 /nfs/dbraw/zinc/10/76/23/560107623.db2.gz OHYSZFXKZMVDCB-RBBKRZOGSA-N 1 3 371.525 2.174 20 0 FEADHO C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000527708338 562301001 /nfs/dbraw/zinc/30/10/01/562301001.db2.gz LCOODPIWRUKXEU-LJQANCHMSA-N 1 3 374.529 2.443 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3ccsc3)CC2)CC1 ZINC000527727473 562301706 /nfs/dbraw/zinc/30/17/06/562301706.db2.gz RMZXYAKYBKNFFD-ZWKOTPCHSA-N 1 3 362.543 2.462 20 0 FEADHO CCNC(=O)N1CC[C@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449181236 560219174 /nfs/dbraw/zinc/21/91/74/560219174.db2.gz FZGZGAUPBLHLMC-PXNSSMCTSA-N 1 3 358.530 2.475 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCc2cscn2)CC1 ZINC000450427770 560262080 /nfs/dbraw/zinc/26/20/80/560262080.db2.gz ZWZZBZQBKDGFFO-UHFFFAOYSA-N 1 3 352.548 2.102 20 0 FEADHO CC[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccncc1 ZINC000453186926 560384225 /nfs/dbraw/zinc/38/42/25/560384225.db2.gz UTIYYBLBGRKQGA-UXHICEINSA-N 1 3 354.498 2.411 20 0 FEADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453592583 560390241 /nfs/dbraw/zinc/39/02/41/560390241.db2.gz KLUCEHVZHHBGDL-BEFAXECRSA-N 1 3 372.513 2.165 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000454534120 560448581 /nfs/dbraw/zinc/44/85/81/560448581.db2.gz DPMHFDFDJYCBGB-LJQANCHMSA-N 1 3 374.529 2.061 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000454534120 560448582 /nfs/dbraw/zinc/44/85/82/560448582.db2.gz DPMHFDFDJYCBGB-LJQANCHMSA-N 1 3 374.529 2.061 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455944598 560501494 /nfs/dbraw/zinc/50/14/94/560501494.db2.gz VPLCKLVAGNFIPX-MJGOQNOKSA-N 1 3 360.502 2.468 20 0 FEADHO CCCN(CCN1CCN(CC)CC1)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457795004 560588067 /nfs/dbraw/zinc/58/80/67/560588067.db2.gz CCDHVWZYHQZAOR-UHFFFAOYSA-N 1 3 364.578 2.127 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)[C@H]1Sc1ccccc1 ZINC000459443063 560686842 /nfs/dbraw/zinc/68/68/42/560686842.db2.gz XHWAGBOACNDTMD-RCCFBDPRSA-N 1 3 350.528 2.371 20 0 FEADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C[C@H](O)C(F)(F)F ZINC000461384771 560769055 /nfs/dbraw/zinc/76/90/55/560769055.db2.gz HPYARTIHFLRFDJ-INIZCTEOSA-N 1 3 351.457 2.038 20 0 FEADHO C[C@@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000461883476 560786178 /nfs/dbraw/zinc/78/61/78/560786178.db2.gz JKDBKFKZVATNRW-FQEVSTJZSA-N 1 3 372.557 2.437 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000462014102 560792655 /nfs/dbraw/zinc/79/26/55/560792655.db2.gz YSTUXZRJGAZHGJ-KRWDZBQOSA-N 1 3 364.534 2.497 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000462014102 560792656 /nfs/dbraw/zinc/79/26/56/560792656.db2.gz YSTUXZRJGAZHGJ-KRWDZBQOSA-N 1 3 364.534 2.497 20 0 FEADHO C[C@H](CC(F)(F)F)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000464359657 560839670 /nfs/dbraw/zinc/83/96/70/560839670.db2.gz IYQJFFMNJLPTKR-GFCCVEGCSA-N 1 3 350.429 2.185 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CCN1C ZINC000465889107 560875186 /nfs/dbraw/zinc/87/51/86/560875186.db2.gz MSWFZUNFFNKGTK-PKOBYXMFSA-N 1 3 374.529 2.443 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CCN1C ZINC000465889104 560875354 /nfs/dbraw/zinc/87/53/54/560875354.db2.gz MSWFZUNFFNKGTK-IEBWSBKVSA-N 1 3 374.529 2.443 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)c1 ZINC000467525960 560911946 /nfs/dbraw/zinc/91/19/46/560911946.db2.gz RVLYKPMVLVIYOO-RTWAWAEBSA-N 1 3 370.541 2.250 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC000467525960 560911947 /nfs/dbraw/zinc/91/19/47/560911947.db2.gz RVLYKPMVLVIYOO-RTWAWAEBSA-N 1 3 370.541 2.250 20 0 FEADHO CC[C@@]1(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000467707610 560915290 /nfs/dbraw/zinc/91/52/90/560915290.db2.gz RQICSBICIPXYFT-QFIPXVFZSA-N 1 3 372.557 2.233 20 0 FEADHO CC[C@@]1(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CCC[NH2+]1 ZINC000467706939 560915313 /nfs/dbraw/zinc/91/53/13/560915313.db2.gz MDRKHQITBFQBJJ-FPOVZHCZSA-N 1 3 358.530 2.014 20 0 FEADHO CC[N@@H+]1CC[C@@H](NCCN2CCN(C(=O)C3CCCCC3)CC2)[C@@H](C)C1 ZINC000468906651 560942001 /nfs/dbraw/zinc/94/20/01/560942001.db2.gz HRQMKKUKLBDRQH-AZUAARDMSA-N 1 3 364.578 2.031 20 0 FEADHO CC[N@H+]1CC[C@@H](NCCN2CCN(C(=O)C3CCCCC3)CC2)[C@@H](C)C1 ZINC000468906651 560942002 /nfs/dbraw/zinc/94/20/02/560942002.db2.gz HRQMKKUKLBDRQH-AZUAARDMSA-N 1 3 364.578 2.031 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccccc1NC(C)=O ZINC000468993456 560944239 /nfs/dbraw/zinc/94/42/39/560944239.db2.gz NLLIDUCYCDZKIF-IBGZPJMESA-N 1 3 374.529 2.062 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccccc1NC(C)=O ZINC000468993456 560944240 /nfs/dbraw/zinc/94/42/40/560944240.db2.gz NLLIDUCYCDZKIF-IBGZPJMESA-N 1 3 374.529 2.062 20 0 FEADHO c1ccc(CN2C[C@@H]3C[N@H+](CCc4nnnn4-c4ccccc4)C[C@@H]3C2)cc1 ZINC000471023561 560996548 /nfs/dbraw/zinc/99/65/48/560996548.db2.gz VEAMWIWSXFNIJG-BGYRXZFFSA-N 1 3 374.492 2.269 20 0 FEADHO c1ccc(CN2C[C@@H]3C[N@@H+](CCc4nnnn4-c4ccccc4)C[C@@H]3C2)cc1 ZINC000471023561 560996549 /nfs/dbraw/zinc/99/65/49/560996549.db2.gz VEAMWIWSXFNIJG-BGYRXZFFSA-N 1 3 374.492 2.269 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000472684017 561032927 /nfs/dbraw/zinc/03/29/27/561032927.db2.gz IECKWGMMMYHESC-UHFFFAOYSA-N 1 3 353.532 2.101 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CCC[N@H+](C)[C@H]3C)c2)CC1 ZINC000473838340 561058706 /nfs/dbraw/zinc/05/87/06/561058706.db2.gz WUXXABUPLVHIQS-QFBILLFUSA-N 1 3 359.518 2.433 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CCC[N@@H+](C)[C@H]3C)c2)CC1 ZINC000473838340 561058707 /nfs/dbraw/zinc/05/87/07/561058707.db2.gz WUXXABUPLVHIQS-QFBILLFUSA-N 1 3 359.518 2.433 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474311260 561070881 /nfs/dbraw/zinc/07/08/81/561070881.db2.gz LYEGVPXKDCPJOW-UHFFFAOYSA-N 1 3 373.566 2.466 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529347615 562370350 /nfs/dbraw/zinc/37/03/50/562370350.db2.gz AQSMSVQCHNYNII-PKOBYXMFSA-N 1 3 356.514 2.435 20 0 FEADHO CC(C)(CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(=O)N1CCCC1 ZINC000530224551 562402943 /nfs/dbraw/zinc/40/29/43/562402943.db2.gz QZHADUZKFXXVIO-DYESRHJHSA-N 1 3 357.498 2.481 20 0 FEADHO COc1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc(OC)c1OC ZINC000530248435 562404115 /nfs/dbraw/zinc/40/41/15/562404115.db2.gz KPJNYAOIHZKAAM-KRWDZBQOSA-N 1 3 364.486 2.303 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530573294 562416516 /nfs/dbraw/zinc/41/65/16/562416516.db2.gz CXDVDYJUEHVNHA-DENIHFKCSA-N 1 3 373.541 2.252 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530573294 562416517 /nfs/dbraw/zinc/41/65/17/562416517.db2.gz CXDVDYJUEHVNHA-DENIHFKCSA-N 1 3 373.541 2.252 20 0 FEADHO Cc1cc(NC(=O)NCCN2CCCC[C@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000530711458 562421425 /nfs/dbraw/zinc/42/14/25/562421425.db2.gz IRDMCXRQBZQDLU-MRXNPFEDSA-N 1 3 362.522 2.454 20 0 FEADHO Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n(C2CCN(C)CC2)n1 ZINC000531713465 562454587 /nfs/dbraw/zinc/45/45/87/562454587.db2.gz LLPVMBIXGHMKTR-WMZOPIPTSA-N 1 3 374.533 2.406 20 0 FEADHO Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n(C2CCN(C)CC2)n1 ZINC000531713465 562454588 /nfs/dbraw/zinc/45/45/88/562454588.db2.gz LLPVMBIXGHMKTR-WMZOPIPTSA-N 1 3 374.533 2.406 20 0 FEADHO CN(CCNC(=O)C1CC[NH+](C[C@@H]2CCCOC2)CC1)Cc1ccccc1 ZINC000531765351 562455931 /nfs/dbraw/zinc/45/59/31/562455931.db2.gz JWVVDSWKUWWNJU-FQEVSTJZSA-N 1 3 373.541 2.373 20 0 FEADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000533047858 562496749 /nfs/dbraw/zinc/49/67/49/562496749.db2.gz RXKNSMJQETVIHL-WOJBJXKFSA-N 1 3 362.562 2.020 20 0 FEADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000533047858 562496750 /nfs/dbraw/zinc/49/67/50/562496750.db2.gz RXKNSMJQETVIHL-WOJBJXKFSA-N 1 3 362.562 2.020 20 0 FEADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000533052835 562496881 /nfs/dbraw/zinc/49/68/81/562496881.db2.gz SFERRDMNHPENQV-MBOZVWFJSA-N 1 3 362.562 2.067 20 0 FEADHO COc1cc(CNCC2=CC[N@H+](C)CC2)ccc1OCC(=O)N1CCCC1 ZINC000540688763 562591228 /nfs/dbraw/zinc/59/12/28/562591228.db2.gz SDXXELXGUKUTEU-UHFFFAOYSA-N 1 3 373.497 2.048 20 0 FEADHO COc1cc(CNCC2=CC[N@@H+](C)CC2)ccc1OCC(=O)N1CCCC1 ZINC000540688763 562591229 /nfs/dbraw/zinc/59/12/29/562591229.db2.gz SDXXELXGUKUTEU-UHFFFAOYSA-N 1 3 373.497 2.048 20 0 FEADHO Cn1cc([C@@H](NCCCC[NH+]2CCN(C)CC2)c2cccc(F)c2)cn1 ZINC000540908260 562596579 /nfs/dbraw/zinc/59/65/79/562596579.db2.gz XPXVIABEZAIAJX-FQEVSTJZSA-N 1 3 359.493 2.266 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)OC)n2C)[C@H](C)C1 ZINC000602007415 567906510 /nfs/dbraw/zinc/90/65/10/567906510.db2.gz PCEINMFJDAHANK-NVXWUHKLSA-N 1 3 351.491 2.038 20 0 FEADHO C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CCCN(C)C2)CCOCC1)c1ccccc1 ZINC000603593637 568121637 /nfs/dbraw/zinc/12/16/37/568121637.db2.gz SXGQSLVIMIXRLB-PKOBYXMFSA-N 1 3 374.529 2.280 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000636873205 568140238 /nfs/dbraw/zinc/14/02/38/568140238.db2.gz LDTHAUORDJYVMG-RBUKOAKNSA-N 1 3 359.518 2.220 20 0 FEADHO C[C@@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)N1CCCC[C@H]1C ZINC000604171451 568221163 /nfs/dbraw/zinc/22/11/63/568221163.db2.gz MFSUNHKDUQQXLS-SJORKVTESA-N 1 3 354.539 2.002 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3Cc4ccccc4C3)CC2)CC1 ZINC000605017052 568522916 /nfs/dbraw/zinc/52/29/16/568522916.db2.gz BQNVFTWCCNOUHS-UHFFFAOYSA-N 1 3 370.541 2.259 20 0 FEADHO c1sc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1-c1nnn[n-]1 ZINC000826526722 608733214 /nfs/dbraw/zinc/73/32/14/608733214.db2.gz KJCSUZIPEKGPGG-UHFFFAOYSA-N 1 3 362.503 2.005 20 0 FEADHO CCOC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000561316291 674655736 /nfs/dbraw/zinc/65/57/36/674655736.db2.gz QOIIIQZIDMRCME-LJQANCHMSA-N 1 3 353.551 2.360 20 0 FEADHO C[C@H](C[NH2+][C@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CN(C)C ZINC000813878183 674787234 /nfs/dbraw/zinc/78/72/34/674787234.db2.gz LFLQZABACNLSEG-DJIMGWMZSA-N 1 3 355.523 2.188 20 0 FEADHO Cc1cccc(C)c1OC[C@H](O)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000563618164 674918113 /nfs/dbraw/zinc/91/81/13/674918113.db2.gz ODRXWNASZYZTOO-RTBURBONSA-N 1 3 350.503 2.134 20 0 FEADHO Cc1cccc(C)c1OC[C@H](O)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000563618164 674918115 /nfs/dbraw/zinc/91/81/15/674918115.db2.gz ODRXWNASZYZTOO-RTBURBONSA-N 1 3 350.503 2.134 20 0 FEADHO COc1ccc(COC[C@H](O)CNC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000574150517 671207882 /nfs/dbraw/zinc/20/78/82/671207882.db2.gz CETXBYJCPJKLIT-RTBURBONSA-N 1 3 350.503 2.283 20 0 FEADHO COc1ccc(COC[C@H](O)CNC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000574150517 671207888 /nfs/dbraw/zinc/20/78/88/671207888.db2.gz CETXBYJCPJKLIT-RTBURBONSA-N 1 3 350.503 2.283 20 0 FEADHO COc1ccc(COC[C@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000574150517 671207893 /nfs/dbraw/zinc/20/78/93/671207893.db2.gz CETXBYJCPJKLIT-RTBURBONSA-N 1 3 350.503 2.283 20 0 FEADHO C[C@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)CN1CCN(C)CC1 ZINC000574199704 671213919 /nfs/dbraw/zinc/21/39/19/671213919.db2.gz AWMYEBGRAGOZKV-IEBWSBKVSA-N 1 3 352.567 2.064 20 0 FEADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817916939 675186275 /nfs/dbraw/zinc/18/62/75/675186275.db2.gz MOAGTJJFVDZYGI-MNOVXSKESA-N 1 3 354.394 2.074 20 0 FEADHO CN1CCN([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c2cccs2)CC1 ZINC000577049344 671412995 /nfs/dbraw/zinc/41/29/95/671412995.db2.gz SUUDPEZAMTUBED-AKHDSKFASA-N 1 3 362.587 2.499 20 0 FEADHO CN1CCN([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c2cccs2)CC1 ZINC000577049344 671412997 /nfs/dbraw/zinc/41/29/97/671412997.db2.gz SUUDPEZAMTUBED-AKHDSKFASA-N 1 3 362.587 2.499 20 0 FEADHO Cc1cc(NC(=O)CCNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)no1 ZINC000578997993 671704747 /nfs/dbraw/zinc/70/47/47/671704747.db2.gz MZBZUCHCGDKMIT-KDOFPFPSSA-N 1 3 362.499 3.046 20 0 FEADHO Cc1cc(NC(=O)CCNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)no1 ZINC000578997993 671704750 /nfs/dbraw/zinc/70/47/50/671704750.db2.gz MZBZUCHCGDKMIT-KDOFPFPSSA-N 1 3 362.499 3.046 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)[C@@H](OC)C3CC3)CC2)CC1 ZINC000580094583 671782889 /nfs/dbraw/zinc/78/28/89/671782889.db2.gz PIATZTOJIXGGPI-DNVCBOLYSA-N 1 3 351.535 2.112 20 0 FEADHO COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000582900680 672045000 /nfs/dbraw/zinc/04/50/00/672045000.db2.gz RPHDVMVWZWCMCU-GBESFXJTSA-N 1 3 350.503 2.078 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000583390164 672090452 /nfs/dbraw/zinc/09/04/52/672090452.db2.gz HHJSLYQZKFPJQS-HZPDHXFCSA-N 1 3 351.535 2.255 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C3(OC)CCC3)CC2)CC1 ZINC000583881752 672135195 /nfs/dbraw/zinc/13/51/95/672135195.db2.gz KKPNBQPWRNXRGQ-INIZCTEOSA-N 1 3 351.535 2.257 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000583921397 672139226 /nfs/dbraw/zinc/13/92/26/672139226.db2.gz UYZDWHDYQKLGRY-RVZJWNSFSA-N 1 3 364.515 2.081 20 0 FEADHO CCO[C@@H]1C[C@@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)[C@@H]1OC ZINC000679625061 672510668 /nfs/dbraw/zinc/51/06/68/672510668.db2.gz AHGXNZSGCXNCBM-QRQLOZEOSA-N 1 3 367.921 2.374 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Br)cc1OC ZINC000186861720 672557198 /nfs/dbraw/zinc/55/71/98/672557198.db2.gz VSWWWPAZTJDTOL-AWEZNQCLSA-N 1 3 369.307 2.346 20 0 FEADHO CC[NH+](CC)CCSCC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000595965732 673344657 /nfs/dbraw/zinc/34/46/57/673344657.db2.gz JBIKOKWQJLGFHY-QGZVFWFLSA-N 1 3 351.516 2.361 20 0 FEADHO CN(C)Cc1ccsc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614437050 676174831 /nfs/dbraw/zinc/17/48/31/676174831.db2.gz BMZAZISPTNTNHF-MRXNPFEDSA-N 1 3 351.516 2.137 20 0 FEADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@]1(O)CC[N@H+](C)C1 ZINC000545868558 673779142 /nfs/dbraw/zinc/77/91/42/673779142.db2.gz SBOPHIQBQYAGLZ-MLGOLLRUSA-N 1 3 359.392 2.079 20 0 FEADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000545868558 673779144 /nfs/dbraw/zinc/77/91/44/673779144.db2.gz SBOPHIQBQYAGLZ-MLGOLLRUSA-N 1 3 359.392 2.079 20 0 FEADHO CCOc1cc(CN[C@H](C)C[C@@H](C)[NH3+])ccc1O[C@H](C)C(=O)N(C)C ZINC000567501774 675298382 /nfs/dbraw/zinc/29/83/82/675298382.db2.gz GVUAHPXWOQXNKR-RBSFLKMASA-N 1 3 351.491 2.156 20 0 FEADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)Cc1ccc(F)cc1 ZINC000567687375 675312714 /nfs/dbraw/zinc/31/27/14/675312714.db2.gz CVYQVYJIBFQDCL-XUVXKRRUSA-N 1 3 350.478 2.087 20 0 FEADHO CCO[C@@H](C)c1nc(CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000568396458 675371139 /nfs/dbraw/zinc/37/11/39/675371139.db2.gz JEUZVQIGMDZYRT-HOTGVXAUSA-N 1 3 352.548 2.358 20 0 FEADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)[C@H](C)C1 ZINC000825163820 675639444 /nfs/dbraw/zinc/63/94/44/675639444.db2.gz QYOAUGSULPIYBM-ZACQAIPSSA-N 1 3 355.523 2.332 20 0 FEADHO CC[N@H+]1CC[C@H](NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)[C@H](C)C1 ZINC000825163820 675639446 /nfs/dbraw/zinc/63/94/46/675639446.db2.gz QYOAUGSULPIYBM-ZACQAIPSSA-N 1 3 355.523 2.332 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)o1 ZINC000606699237 675839495 /nfs/dbraw/zinc/83/94/95/675839495.db2.gz IIACPIUZEWWIIU-INIZCTEOSA-N 1 3 350.507 2.392 20 0 FEADHO CN(C)C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000638664015 677148595 /nfs/dbraw/zinc/14/85/95/677148595.db2.gz KYMIGUOKSKSFSV-WFASDCNBSA-N 1 3 360.285 2.091 20 0 FEADHO Cc1ccc(Cl)c(OC[C@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000644632307 677247066 /nfs/dbraw/zinc/24/70/66/677247066.db2.gz WVNWFNJRLIJSJO-DLBZAZTESA-N 1 3 370.921 2.479 20 0 FEADHO Cc1ccc(Cl)c(OC[C@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000644632307 677247067 /nfs/dbraw/zinc/24/70/67/677247067.db2.gz WVNWFNJRLIJSJO-DLBZAZTESA-N 1 3 370.921 2.479 20 0 FEADHO [NH3+]C1CCC(OCC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000645183567 677255192 /nfs/dbraw/zinc/25/51/92/677255192.db2.gz FMNSYSULGQWVLW-UYSNPLJNSA-N 1 3 351.516 2.288 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000647969701 677309651 /nfs/dbraw/zinc/30/96/51/677309651.db2.gz LFKASXQJKZYEEB-ZDUSSCGKSA-N 1 3 374.323 2.292 20 0 FEADHO [NH3+]CC1(CCN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000650746503 677388264 /nfs/dbraw/zinc/38/82/64/677388264.db2.gz DMPGBVAESQIZHE-ZDUSSCGKSA-N 1 3 373.316 2.386 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345841 677480508 /nfs/dbraw/zinc/48/05/08/677480508.db2.gz NKQCWTXLRXNKNG-UGCZWRCOSA-N 1 3 351.535 2.288 20 0 FEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349278 677481093 /nfs/dbraw/zinc/48/10/93/677481093.db2.gz JBMNSBBCUNQAFX-NTDBWNAOSA-N 1 3 351.535 2.384 20 0 FEADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@@H]1CCN ZINC000652355132 677481322 /nfs/dbraw/zinc/48/13/22/677481322.db2.gz PXHWTQSPLATUIL-BLLLJJGKSA-N 1 3 366.893 2.217 20 0 FEADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@@H]1CCN ZINC000652355132 677481323 /nfs/dbraw/zinc/48/13/23/677481323.db2.gz PXHWTQSPLATUIL-BLLLJJGKSA-N 1 3 366.893 2.217 20 0 FEADHO C[C@H]1CCCN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@@H]1CC[NH3+] ZINC000652355132 677481325 /nfs/dbraw/zinc/48/13/25/677481325.db2.gz PXHWTQSPLATUIL-BLLLJJGKSA-N 1 3 366.893 2.217 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](CC(C)C)OC)CC2)CC1 ZINC000655149970 677625630 /nfs/dbraw/zinc/62/56/30/677625630.db2.gz HZTXWBZZDSVNGU-LJQANCHMSA-N 1 3 353.551 2.360 20 0 FEADHO CCc1csc(CC2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)n1 ZINC000656193558 677727473 /nfs/dbraw/zinc/72/74/73/677727473.db2.gz NAJKSKIHUAXEIK-INIZCTEOSA-N 1 3 364.559 2.157 20 0 FEADHO C[NH2+]C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000659647884 678195154 /nfs/dbraw/zinc/19/51/54/678195154.db2.gz YMBKCNKFCOFNCG-ZDUSSCGKSA-N 1 3 360.424 2.387 20 0 FEADHO [NH3+][C@@H]1CN(C(=O)c2cc3c(s2)CCNC3)CC[C@H]1c1ccc(F)cc1 ZINC000662577976 678640382 /nfs/dbraw/zinc/64/03/82/678640382.db2.gz JEZPYNOGRWFQTJ-JKSUJKDBSA-N 1 3 359.470 2.490 20 0 FEADHO CC1CCN([C@H](CNC(=O)[C@H]2CCO[C@H]2C[NH3+])c2cccs2)CC1 ZINC000662662877 678648337 /nfs/dbraw/zinc/64/83/37/678648337.db2.gz KFQZJCVKMKKXDL-XHSDSOJGSA-N 1 3 351.516 2.001 20 0 FEADHO COc1ccc(C)cc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663694913 678775016 /nfs/dbraw/zinc/77/50/16/678775016.db2.gz IKLTUDQAVANDLM-INIZCTEOSA-N 1 3 350.507 2.075 20 0 FEADHO COc1ccc(C)cc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663694913 678775018 /nfs/dbraw/zinc/77/50/18/678775018.db2.gz IKLTUDQAVANDLM-INIZCTEOSA-N 1 3 350.507 2.075 20 0 FEADHO CC(C)C[C@H]1C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000664593872 678901755 /nfs/dbraw/zinc/90/17/55/678901755.db2.gz BUBJUIXURUDVCO-KSZLIROESA-N 1 3 356.555 2.151 20 0 FEADHO CC(C)C[C@H]1C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000664593872 678901759 /nfs/dbraw/zinc/90/17/59/678901759.db2.gz BUBJUIXURUDVCO-KSZLIROESA-N 1 3 356.555 2.151 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000664847063 678927086 /nfs/dbraw/zinc/92/70/86/678927086.db2.gz VCUUSFZYWCDVSJ-FJIDUMEYSA-N 1 3 356.555 2.151 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000664847063 678927090 /nfs/dbraw/zinc/92/70/90/678927090.db2.gz VCUUSFZYWCDVSJ-FJIDUMEYSA-N 1 3 356.555 2.151 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCc2sccc2C1 ZINC000665757427 678981948 /nfs/dbraw/zinc/98/19/48/678981948.db2.gz JIESQGULEMUABS-HNNXBMFYSA-N 1 3 352.548 2.478 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCc2sccc2C1 ZINC000665757427 678981951 /nfs/dbraw/zinc/98/19/51/678981951.db2.gz JIESQGULEMUABS-HNNXBMFYSA-N 1 3 352.548 2.478 20 0 FEADHO CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000665762973 678982254 /nfs/dbraw/zinc/98/22/54/678982254.db2.gz WANFVXKNSYVYHT-DLBZAZTESA-N 1 3 356.555 2.248 20 0 FEADHO CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000665762973 678982255 /nfs/dbraw/zinc/98/22/55/678982255.db2.gz WANFVXKNSYVYHT-DLBZAZTESA-N 1 3 356.555 2.248 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000665763760 678982656 /nfs/dbraw/zinc/98/26/56/678982656.db2.gz LDTUCMPQGBBHPQ-FUHWJXTLSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000665763760 678982657 /nfs/dbraw/zinc/98/26/57/678982657.db2.gz LDTUCMPQGBBHPQ-FUHWJXTLSA-N 1 3 354.539 2.002 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000669592671 679244290 /nfs/dbraw/zinc/24/42/90/679244290.db2.gz CXYKTGXROSWAKB-RDJZCZTQSA-N 1 3 350.532 2.453 20 0 FEADHO CC1(C)Cc2cc(CNC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)ccc2O1 ZINC000841069785 680861681 /nfs/dbraw/zinc/86/16/81/680861681.db2.gz DIBGKOGDOSCRKR-MRXNPFEDSA-N 1 3 357.420 2.326 20 0 FEADHO CC1CC[NH+](C[C@H]2CCCN(C(=S)NC3CCN(C)CC3)C2)CC1 ZINC000748152229 679934836 /nfs/dbraw/zinc/93/48/36/679934836.db2.gz SBSWECVEMKJSKF-QGZVFWFLSA-N 1 3 352.592 2.399 20 0 FEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=S)NC3CCN(C)CC3)C2)CC1 ZINC000748152227 679934914 /nfs/dbraw/zinc/93/49/14/679934914.db2.gz SBSWECVEMKJSKF-KRWDZBQOSA-N 1 3 352.592 2.399 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COCc2cccc(OC)c2)[C@H](C)C1 ZINC000749345738 680041531 /nfs/dbraw/zinc/04/15/31/680041531.db2.gz DZVCRPMTXNDKQZ-POAQFYNOSA-N 1 3 350.503 2.235 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COCc2cccc(OC)c2)[C@H](C)C1 ZINC000749345738 680041534 /nfs/dbraw/zinc/04/15/34/680041534.db2.gz DZVCRPMTXNDKQZ-POAQFYNOSA-N 1 3 350.503 2.235 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNCc3nc(C)sc3C)C2)CC[N@@H+]1C ZINC001026855879 680351670 /nfs/dbraw/zinc/35/16/70/680351670.db2.gz OUTGCJYRPKWACA-SOLBZPMBSA-N 1 3 364.559 2.428 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNCc3nc(C)sc3C)C2)CC[N@H+]1C ZINC001026855879 680351672 /nfs/dbraw/zinc/35/16/72/680351672.db2.gz OUTGCJYRPKWACA-SOLBZPMBSA-N 1 3 364.559 2.428 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNCc3nc(C)c(C)s3)C2)CC[N@@H+]1C ZINC001026856203 680351700 /nfs/dbraw/zinc/35/17/00/680351700.db2.gz UZZLZVGDHPKJBJ-IXDOHACOSA-N 1 3 364.559 2.428 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNCc3nc(C)c(C)s3)C2)CC[N@H+]1C ZINC001026856203 680351704 /nfs/dbraw/zinc/35/17/04/680351704.db2.gz UZZLZVGDHPKJBJ-IXDOHACOSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1nc(CCN(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001027417446 680357030 /nfs/dbraw/zinc/35/70/30/680357030.db2.gz YSURUUCBPPMSFX-ZTFGCOKTSA-N 1 3 364.559 2.257 20 0 FEADHO Cc1nc(CCN(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001027417446 680357034 /nfs/dbraw/zinc/35/70/34/680357034.db2.gz YSURUUCBPPMSFX-ZTFGCOKTSA-N 1 3 364.559 2.257 20 0 FEADHO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000754464345 680358213 /nfs/dbraw/zinc/35/82/13/680358213.db2.gz JRAAVWUYENXGPF-NVXWUHKLSA-N 1 3 365.543 2.119 20 0 FEADHO Cc1cc([C@H](N)CC(=O)NCCC[NH2+]Cc2cccnc2)cc(Cl)n1 ZINC000841845920 680914489 /nfs/dbraw/zinc/91/44/89/680914489.db2.gz HWYIELWFGMNHFU-MRXNPFEDSA-N 1 3 361.877 2.124 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N(CC[NH3+])CCc2ccccc2)cc(Cl)n1 ZINC000841850587 680914727 /nfs/dbraw/zinc/91/47/27/680914727.db2.gz FEZQRKNPSPGSJE-KRWDZBQOSA-N 1 3 360.889 2.463 20 0 FEADHO CN1CCCC[C@H]1CC[NH+]1CCC(O)(CNC(=O)OC(C)(C)C)CC1 ZINC000842169734 680929988 /nfs/dbraw/zinc/92/99/88/680929988.db2.gz MVEFNMKAQNWLNP-INIZCTEOSA-N 1 3 355.523 2.212 20 0 FEADHO CC(C)[N@@H+]1CCC[C@H](COC(=O)C2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000842836207 680970638 /nfs/dbraw/zinc/97/06/38/680970638.db2.gz NOCFGMQEOFRLGU-YNEHKIRRSA-N 1 3 350.381 2.107 20 0 FEADHO CC(C)[N@H+]1CCC[C@H](COC(=O)C2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000842836207 680970639 /nfs/dbraw/zinc/97/06/39/680970639.db2.gz NOCFGMQEOFRLGU-YNEHKIRRSA-N 1 3 350.381 2.107 20 0 FEADHO Cc1cc([C@H](N)CC(=O)Nc2cnn(C3CC[NH2+]CC3)c2)cc(Cl)n1 ZINC000843456863 681004825 /nfs/dbraw/zinc/00/48/25/681004825.db2.gz LUDGWNOFXFWDGQ-OAHLLOKOSA-N 1 3 362.865 2.193 20 0 FEADHO Cc1nc(CCN2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC001052391272 681076430 /nfs/dbraw/zinc/07/64/30/681076430.db2.gz NAELGGOJERIRJJ-QGPMSJSTSA-N 1 3 364.559 2.305 20 0 FEADHO Cc1nc(CCN2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC001052391272 681076434 /nfs/dbraw/zinc/07/64/34/681076434.db2.gz NAELGGOJERIRJJ-QGPMSJSTSA-N 1 3 364.559 2.305 20 0 FEADHO COC(=O)c1sccc1CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000774731336 681226698 /nfs/dbraw/zinc/22/66/98/681226698.db2.gz DHAIYFCZBSCVNK-MRXNPFEDSA-N 1 3 351.516 2.135 20 0 FEADHO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)C(C[C@H]1CCCO1)C(F)(F)F ZINC000846675697 681274461 /nfs/dbraw/zinc/27/44/61/681274461.db2.gz NGRXWOMFJMMHFL-KGLIPLIRSA-N 1 3 360.380 2.494 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H](NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000848719782 681608843 /nfs/dbraw/zinc/60/88/43/681608843.db2.gz NXJKDDBLPSGSDH-VXGBXAGGSA-N 1 3 366.405 2.218 20 0 FEADHO CCc1nnc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)s1 ZINC000849084600 681651408 /nfs/dbraw/zinc/65/14/08/681651408.db2.gz AUUCKWOFGOOTBI-UHFFFAOYSA-N 1 3 358.515 2.379 20 0 FEADHO C[C@]1(CN2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)CC[NH2+]C1 ZINC000849352278 681693318 /nfs/dbraw/zinc/69/33/18/681693318.db2.gz KAZVMZRWBJJBMR-RDJZCZTQSA-N 1 3 361.452 2.499 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(CCc4ccccc4Cl)C[C@H]32)CC[N@@H+]1C ZINC000959965763 682015150 /nfs/dbraw/zinc/01/51/50/682015150.db2.gz KPSBJWXDYMVMSZ-YKPDLDGBSA-N 1 3 361.917 2.269 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(CCc4ccccc4Cl)C[C@H]32)CC[N@H+]1C ZINC000959965763 682015153 /nfs/dbraw/zinc/01/51/53/682015153.db2.gz KPSBJWXDYMVMSZ-YKPDLDGBSA-N 1 3 361.917 2.269 20 0 FEADHO Cc1nnsc1CNC1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000963344366 682139050 /nfs/dbraw/zinc/13/90/50/682139050.db2.gz NWKZQADFHTYTSF-PRLABOORSA-N 1 3 365.547 2.046 20 0 FEADHO Cc1nnsc1CNC1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000963344366 682139052 /nfs/dbraw/zinc/13/90/52/682139052.db2.gz NWKZQADFHTYTSF-PRLABOORSA-N 1 3 365.547 2.046 20 0 FEADHO C[NH+](C)CCCOC(=O)C1CCN(c2ccccc2Br)C1=O ZINC000916092641 685521152 /nfs/dbraw/zinc/52/11/52/685521152.db2.gz WZXDZXSVBQRKCM-GFCCVEGCSA-N 1 3 369.259 2.297 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccc(F)c(F)c3)C2)CC[N@@H+]1C ZINC000968738360 682244203 /nfs/dbraw/zinc/24/42/03/682244203.db2.gz UMHRPYGDFAPCJA-RVKKMQEKSA-N 1 3 351.441 2.386 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccc(F)c(F)c3)C2)CC[N@H+]1C ZINC000968738360 682244207 /nfs/dbraw/zinc/24/42/07/682244207.db2.gz UMHRPYGDFAPCJA-RVKKMQEKSA-N 1 3 351.441 2.386 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccnc1SC(F)F ZINC000855346203 682659683 /nfs/dbraw/zinc/65/96/83/682659683.db2.gz RMZVPIWHJAEFSP-LBPRGKRZSA-N 1 3 360.474 2.398 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccnc1SC(F)F ZINC000855346203 682659686 /nfs/dbraw/zinc/65/96/86/682659686.db2.gz RMZVPIWHJAEFSP-LBPRGKRZSA-N 1 3 360.474 2.398 20 0 FEADHO COc1ncc([C@@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Cl ZINC000925852661 683043864 /nfs/dbraw/zinc/04/38/64/683043864.db2.gz WPRFRJDSDNSYQH-DGCLKSJQSA-N 1 3 353.850 2.080 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C[C@H](O)c2ccc(F)cn2)CC1 ZINC000799310938 683442725 /nfs/dbraw/zinc/44/27/25/683442725.db2.gz KNXBGGTUHQOIJD-IBGZPJMESA-N 1 3 353.482 2.325 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C[C@H](O)c2ccc(F)cn2)CC1 ZINC000799310938 683442730 /nfs/dbraw/zinc/44/27/30/683442730.db2.gz KNXBGGTUHQOIJD-IBGZPJMESA-N 1 3 353.482 2.325 20 0 FEADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(C(F)(F)F)nn1C)C2 ZINC000922390753 683712425 /nfs/dbraw/zinc/71/24/25/683712425.db2.gz OLUNNBJPTDEHNR-XOUADPBQSA-N 1 3 360.424 2.008 20 0 FEADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(C(F)(F)F)nn1C)C2 ZINC000922390753 683712429 /nfs/dbraw/zinc/71/24/29/683712429.db2.gz OLUNNBJPTDEHNR-XOUADPBQSA-N 1 3 360.424 2.008 20 0 FEADHO NCC(C[NH3+])NCc1cc(Br)c(Cl)c(Br)c1 ZINC000923355962 684267928 /nfs/dbraw/zinc/26/79/28/684267928.db2.gz HIPKDDODAOUIQO-UHFFFAOYSA-N 1 3 371.504 2.241 20 0 FEADHO Brc1cccc2c1OCC[C@@H]2NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923379948 684271632 /nfs/dbraw/zinc/27/16/32/684271632.db2.gz SAXOGBONILGZGL-RISCZKNCSA-N 1 3 353.260 2.241 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(N=S(C)(C)=O)cc1 ZINC000869236705 684596210 /nfs/dbraw/zinc/59/62/10/684596210.db2.gz HHXALCHECVTRNF-HNNXBMFYSA-N 1 3 368.547 2.048 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(N=S(C)(C)=O)cc1 ZINC000869236705 684596211 /nfs/dbraw/zinc/59/62/11/684596211.db2.gz HHXALCHECVTRNF-HNNXBMFYSA-N 1 3 368.547 2.048 20 0 FEADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NCC3(N4CCSCC4)CCCC3)CC[C@@H]21 ZINC000875099978 685730943 /nfs/dbraw/zinc/73/09/43/685730943.db2.gz CYUXGHNMSYYADG-SJORKVTESA-N 1 3 366.575 2.084 20 0 FEADHO C[N@H+]1CC[C@@H]2CN(C(=O)NCC3(N4CCSCC4)CCCC3)CC[C@@H]21 ZINC000875099978 685730950 /nfs/dbraw/zinc/73/09/50/685730950.db2.gz CYUXGHNMSYYADG-SJORKVTESA-N 1 3 366.575 2.084 20 0 FEADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000875370617 685796528 /nfs/dbraw/zinc/79/65/28/685796528.db2.gz IHLJOINTHXGHLC-APWZRJJASA-N 1 3 350.551 2.479 20 0 FEADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1 ZINC000877138298 686330507 /nfs/dbraw/zinc/33/05/07/686330507.db2.gz SSNIDZUTUFHTJV-BYNSBNAKSA-N 1 3 358.360 2.424 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc(Cl)n1 ZINC000877361613 686363399 /nfs/dbraw/zinc/36/33/99/686363399.db2.gz VPRLILKSWZUYHV-QJPTWQEYSA-N 1 3 364.799 2.029 20 0 FEADHO CN1CCN(CC[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)CC1(C)C ZINC000877498792 686392114 /nfs/dbraw/zinc/39/21/14/686392114.db2.gz JDCMNVFCPACYPF-UHFFFAOYSA-N 1 3 356.555 2.153 20 0 FEADHO CN1CCN(C2CC[NH+](CC(C)(C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC000877745874 686448221 /nfs/dbraw/zinc/44/82/21/686448221.db2.gz BSSFLKYYLRJZTP-UHFFFAOYSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC000891674158 689090836 /nfs/dbraw/zinc/09/08/36/689090836.db2.gz WDZGCCWCIQYRFZ-CXAGYDPISA-N 1 3 350.894 2.293 20 0 FEADHO CN(C)Cc1ccc(C[NH2+][C@H](CO)CC(F)F)c2c1OC(F)(F)O2 ZINC000894566587 689556288 /nfs/dbraw/zinc/55/62/88/689556288.db2.gz MVSWPABHICJWOW-NSHDSACASA-N 1 3 352.328 2.175 20 0 FEADHO Cc1nccc(N2CCC([NH+]3CCN(C)CC3)CC2)c1Br ZINC000895027072 689643832 /nfs/dbraw/zinc/64/38/32/689643832.db2.gz COOGXFFFMMGQMY-UHFFFAOYSA-N 1 3 353.308 2.369 20 0 FEADHO CCc1[nH]c(CN(CCOC)CC2CC[NH+](C)CC2)cc1C(=O)OC ZINC000895416730 689712668 /nfs/dbraw/zinc/71/26/68/689712668.db2.gz ATVKHXSQCHGLQB-UHFFFAOYSA-N 1 3 351.491 2.154 20 0 FEADHO COc1ccc(C[C@](C)(O)CN[C@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000902389177 690762065 /nfs/dbraw/zinc/76/20/65/690762065.db2.gz SLXOGDRGVDGPAW-JXFKEZNVSA-N 1 3 350.503 2.365 20 0 FEADHO COc1cc(CN(C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)ccc1OC(F)F ZINC000903718151 690966452 /nfs/dbraw/zinc/96/64/52/690966452.db2.gz HLWKDPFWLSDNPU-KSSFIOAISA-N 1 3 356.413 2.497 20 0 FEADHO CC(C)N(C)Cc1nn(-c2cc(Cl)nc3nc[nH]c32)c2c1CC[NH2+]C2 ZINC001164683513 719619285 /nfs/dbraw/zinc/61/92/85/719619285.db2.gz SQJNGDQTZMLTRS-UHFFFAOYSA-N 1 3 359.865 2.283 20 0 FEADHO CC(C)N(C)Cc1nn(-c2cc(Cl)nc3[nH]cnc32)c2c1CC[NH2+]C2 ZINC001164683513 719619289 /nfs/dbraw/zinc/61/92/89/719619289.db2.gz SQJNGDQTZMLTRS-UHFFFAOYSA-N 1 3 359.865 2.283 20 0 FEADHO COc1ccccc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051236000 540427711 /nfs/dbraw/zinc/42/77/11/540427711.db2.gz DAHNBLFVCRMVBB-UHFFFAOYSA-N 1 3 360.502 2.053 20 0 FEADHO Cc1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000051758792 540443565 /nfs/dbraw/zinc/44/35/65/540443565.db2.gz ZFICDGAMWCHSIL-UHFFFAOYSA-N 1 3 350.532 2.414 20 0 FEADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)CCC(=O)c1cccs1 ZINC000057157297 540773700 /nfs/dbraw/zinc/77/37/00/540773700.db2.gz FABQLWDKMPVLAU-UHFFFAOYSA-N 1 3 353.532 2.443 20 0 FEADHO C[C@H](c1ccccc1Br)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178806 541158186 /nfs/dbraw/zinc/15/81/86/541158186.db2.gz VMWSWSLKZOEUDO-OLZOCXBDSA-N 1 3 354.292 2.297 20 0 FEADHO CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC000069920446 541723573 /nfs/dbraw/zinc/72/35/73/541723573.db2.gz JLHOKPVIZFJWLZ-HNNXBMFYSA-N 1 3 372.513 2.196 20 0 FEADHO C[NH+]1CCC(C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)CC1 ZINC000073054694 541913388 /nfs/dbraw/zinc/91/33/88/541913388.db2.gz UFKRBUSHVIUDKL-UHFFFAOYSA-N 1 3 356.514 2.499 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000073314176 541942995 /nfs/dbraw/zinc/94/29/95/541942995.db2.gz CEQHVEUCAKELDR-UHFFFAOYSA-N 1 3 370.541 2.286 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000073442175 541954853 /nfs/dbraw/zinc/95/48/53/541954853.db2.gz INCHPWOJDUWMCF-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000074181163 542049580 /nfs/dbraw/zinc/04/95/80/542049580.db2.gz XBLQTGIJEAPKPJ-HXUWFJFHSA-N 1 3 372.557 2.307 20 0 FEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000074181163 542049584 /nfs/dbraw/zinc/04/95/84/542049584.db2.gz XBLQTGIJEAPKPJ-HXUWFJFHSA-N 1 3 372.557 2.307 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc(C(C)C)no1 ZINC000074263732 542060122 /nfs/dbraw/zinc/06/01/22/542060122.db2.gz JGARYRPBMVHNBM-INIZCTEOSA-N 1 3 365.522 2.356 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc(C(C)C)no1 ZINC000074263732 542060126 /nfs/dbraw/zinc/06/01/26/542060126.db2.gz JGARYRPBMVHNBM-INIZCTEOSA-N 1 3 365.522 2.356 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccn(C(C)C)n1 ZINC000074368065 542075556 /nfs/dbraw/zinc/07/55/56/542075556.db2.gz QCEQULBETMORDP-GOSISDBHSA-N 1 3 364.538 2.022 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccn(C(C)C)n1 ZINC000074368065 542075549 /nfs/dbraw/zinc/07/55/49/542075549.db2.gz QCEQULBETMORDP-GOSISDBHSA-N 1 3 364.538 2.022 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000077809591 542422646 /nfs/dbraw/zinc/42/26/46/542422646.db2.gz DIBSGKKCROKVSK-UHFFFAOYSA-N 1 3 352.498 2.238 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)[C@H](C)C1 ZINC000551704542 674159064 /nfs/dbraw/zinc/15/90/64/674159064.db2.gz XWTSOYVPHDKGBS-VQIMIIECSA-N 1 3 368.543 2.317 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)cc1F ZINC000080557223 542594505 /nfs/dbraw/zinc/59/45/05/542594505.db2.gz QDTAVLHFCAPXQR-AWEZNQCLSA-N 1 3 356.461 2.203 20 0 FEADHO C[C@H](O)[C@H]1CCCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000089928437 542774874 /nfs/dbraw/zinc/77/48/74/542774874.db2.gz UKDJTEFIFZEEFS-BJLQDIEVSA-N 1 3 373.541 2.249 20 0 FEADHO C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821121 542888591 /nfs/dbraw/zinc/88/85/91/542888591.db2.gz OFKMDEUETJASGM-XLIONFOSSA-N 1 3 374.529 2.304 20 0 FEADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN(C)CC1CC[NH+](C)CC1 ZINC000093088972 542909060 /nfs/dbraw/zinc/90/90/60/542909060.db2.gz HKTTZBSDKJNQEU-UHFFFAOYSA-N 1 3 350.507 2.225 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000101602753 543036107 /nfs/dbraw/zinc/03/61/07/543036107.db2.gz ZZSRMGDFRNTVCZ-INIZCTEOSA-N 1 3 362.474 2.295 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000101602753 543036109 /nfs/dbraw/zinc/03/61/09/543036109.db2.gz ZZSRMGDFRNTVCZ-INIZCTEOSA-N 1 3 362.474 2.295 20 0 FEADHO CC[N@@H+]1CCCC[C@H]1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000104143294 543124962 /nfs/dbraw/zinc/12/49/62/543124962.db2.gz BHQZJBYRVICHRP-LEWJYISDSA-N 1 3 372.557 2.356 20 0 FEADHO CC[N@H+]1CCCC[C@H]1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000104143294 543124965 /nfs/dbraw/zinc/12/49/65/543124965.db2.gz BHQZJBYRVICHRP-LEWJYISDSA-N 1 3 372.557 2.356 20 0 FEADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000108557329 543294118 /nfs/dbraw/zinc/29/41/18/543294118.db2.gz RNXWVRDAZNSNRU-VQTJNVASSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000108557329 543294121 /nfs/dbraw/zinc/29/41/21/543294121.db2.gz RNXWVRDAZNSNRU-VQTJNVASSA-N 1 3 356.514 2.435 20 0 FEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111313855 543395533 /nfs/dbraw/zinc/39/55/33/543395533.db2.gz AOZQFUCRVDFHRU-XVSDAANHSA-N 1 3 371.525 2.143 20 0 FEADHO CN(CCn1cccn1)Cc1ccc(C[N@H+](C)CCn2cccn2)cc1 ZINC000111279948 543391961 /nfs/dbraw/zinc/39/19/61/543391961.db2.gz FPYKUGCVXFPGCM-UHFFFAOYSA-N 1 3 352.486 2.344 20 0 FEADHO CN(CCn1cccn1)Cc1ccc(C[N@@H+](C)CCn2cccn2)cc1 ZINC000111279948 543391964 /nfs/dbraw/zinc/39/19/64/543391964.db2.gz FPYKUGCVXFPGCM-UHFFFAOYSA-N 1 3 352.486 2.344 20 0 FEADHO C[C@@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000552097505 674187243 /nfs/dbraw/zinc/18/72/43/674187243.db2.gz DOJSRSSFUFQHOJ-CABCVRRESA-N 1 3 354.516 2.243 20 0 FEADHO CCn1nc(C(C)C)cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000124370381 543816871 /nfs/dbraw/zinc/81/68/71/543816871.db2.gz HKFPJLKDEZXWLE-UHFFFAOYSA-N 1 3 361.534 2.315 20 0 FEADHO C[C@H](C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1)N1CCCCCC1 ZINC000126722400 543953176 /nfs/dbraw/zinc/95/31/76/543953176.db2.gz ITUJTUXNBKSBTQ-SJLPKXTDSA-N 1 3 363.502 2.191 20 0 FEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]CCCN2CCCN(C)CC2)c1 ZINC000128494272 544056261 /nfs/dbraw/zinc/05/62/61/544056261.db2.gz WFXDJXJDUITCRI-KRWDZBQOSA-N 1 3 362.518 2.030 20 0 FEADHO CN(c1ccccc1C[NH2+]CC1(CO)CCOCC1)C1CCN(C)CC1 ZINC000129967447 544133650 /nfs/dbraw/zinc/13/36/50/544133650.db2.gz UZDUQYCEDRLELN-UHFFFAOYSA-N 1 3 361.530 2.096 20 0 FEADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(-n2cncn2)cc1 ZINC000133163134 544258638 /nfs/dbraw/zinc/25/86/38/544258638.db2.gz CNLVJJCJYODMGE-IRXDYDNUSA-N 1 3 355.486 2.419 20 0 FEADHO COc1ccccc1COC[C@H](O)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000247503893 549346779 /nfs/dbraw/zinc/34/67/79/549346779.db2.gz LYZBLOKAMQPWQV-RTBURBONSA-N 1 3 350.503 2.379 20 0 FEADHO COc1ccccc1COC[C@H](O)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000247503893 549346782 /nfs/dbraw/zinc/34/67/82/549346782.db2.gz LYZBLOKAMQPWQV-RTBURBONSA-N 1 3 350.503 2.379 20 0 FEADHO CCCN1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000135554245 544352832 /nfs/dbraw/zinc/35/28/32/544352832.db2.gz JZAZLGUYXABZTG-UXHICEINSA-N 1 3 359.514 2.134 20 0 FEADHO CCCN1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000135554245 544352833 /nfs/dbraw/zinc/35/28/33/544352833.db2.gz JZAZLGUYXABZTG-UXHICEINSA-N 1 3 359.514 2.134 20 0 FEADHO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000135916953 544363336 /nfs/dbraw/zinc/36/33/36/544363336.db2.gz BPGLNEATFYBCBO-HNNXBMFYSA-N 1 3 366.554 2.142 20 0 FEADHO COc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1Cn1cccn1 ZINC000151375496 544534147 /nfs/dbraw/zinc/53/41/47/544534147.db2.gz YUFKTOARDRGCBF-KRWDZBQOSA-N 1 3 372.513 2.437 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000154458772 544908839 /nfs/dbraw/zinc/90/88/39/544908839.db2.gz IORPVBMIPIUDHQ-QGZVFWFLSA-N 1 3 367.559 2.158 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000154542861 544920042 /nfs/dbraw/zinc/92/00/42/544920042.db2.gz CWLDDYNARAAKAJ-GOSISDBHSA-N 1 3 356.518 2.336 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1(C)C ZINC000188065513 328063736 /nfs/dbraw/zinc/06/37/36/328063736.db2.gz XDAKKUAGIFELQY-WIYYLYMNSA-N 1 3 359.514 2.431 20 0 FEADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000190166166 328192141 /nfs/dbraw/zinc/19/21/41/328192141.db2.gz YDHSREBVGFDMSG-UHFFFAOYSA-N 1 3 362.518 2.185 20 0 FEADHO COc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CCSC)N2CCCC2)cc1 ZINC000195128001 328457413 /nfs/dbraw/zinc/45/74/13/328457413.db2.gz BAVMVQJZDZWYIS-DLBZAZTESA-N 1 3 351.516 2.029 20 0 FEADHO CN(C)[C@@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000077671074 325004090 /nfs/dbraw/zinc/00/40/90/325004090.db2.gz RZJQPEACVMTKMP-PXNSSMCTSA-N 1 3 374.529 2.089 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000079181014 325080146 /nfs/dbraw/zinc/08/01/46/325080146.db2.gz KQBODASOETZCRR-LJQANCHMSA-N 1 3 374.529 2.397 20 0 FEADHO C[C@H](CN1CCCCC1)NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000079180968 325080349 /nfs/dbraw/zinc/08/03/49/325080349.db2.gz ZQLICLMCMRZDTQ-QGZVFWFLSA-N 1 3 362.518 2.301 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc(Cc2ccccc2)s1 ZINC000087304364 325278445 /nfs/dbraw/zinc/27/84/45/325278445.db2.gz NNVUTWNUKOMZQN-UHFFFAOYSA-N 1 3 360.527 2.299 20 0 FEADHO CCc1onc(C)c1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000089411462 325315399 /nfs/dbraw/zinc/31/53/99/325315399.db2.gz PVCCWQQXYTYOLN-OAHLLOKOSA-N 1 3 351.495 2.425 20 0 FEADHO CCc1onc(C)c1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000089411462 325315403 /nfs/dbraw/zinc/31/54/03/325315403.db2.gz PVCCWQQXYTYOLN-OAHLLOKOSA-N 1 3 351.495 2.425 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000091232813 325382022 /nfs/dbraw/zinc/38/20/22/325382022.db2.gz ABTYSGNXJSZKHV-LJQANCHMSA-N 1 3 371.529 2.425 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000238004307 328537500 /nfs/dbraw/zinc/53/75/00/328537500.db2.gz QJKWUCGKACNNQY-MRXNPFEDSA-N 1 3 351.560 2.244 20 0 FEADHO Cc1oc(-c2cccs2)nc1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103210813 325510275 /nfs/dbraw/zinc/51/02/75/325510275.db2.gz LTSKQTSPGCHPIV-UHFFFAOYSA-N 1 3 364.515 2.206 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CN1C1CC1 ZINC000120870951 326294847 /nfs/dbraw/zinc/29/48/47/326294847.db2.gz MOQSLBBXPVFHKA-DOTOQJQBSA-N 1 3 360.502 2.051 20 0 FEADHO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000121727365 326361559 /nfs/dbraw/zinc/36/15/59/326361559.db2.gz DKFZQXXXYLOGHL-INIZCTEOSA-N 1 3 372.513 2.162 20 0 FEADHO C[C@H]1CCC[N@H+]1C1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000121727365 326361560 /nfs/dbraw/zinc/36/15/60/326361560.db2.gz DKFZQXXXYLOGHL-INIZCTEOSA-N 1 3 372.513 2.162 20 0 FEADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)([NH+](C)C)C1 ZINC000124743457 326459410 /nfs/dbraw/zinc/45/94/10/326459410.db2.gz FDZDTTPLKGXZNQ-IERDGZPVSA-N 1 3 374.529 2.313 20 0 FEADHO C[NH2+]C[C@@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000158911701 326912082 /nfs/dbraw/zinc/91/20/82/326912082.db2.gz LWDNPASTWVBRPY-IBGZPJMESA-N 1 3 358.530 2.047 20 0 FEADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000162025705 327014837 /nfs/dbraw/zinc/01/48/37/327014837.db2.gz NNZZSEWWASOLLM-HBFSDRIKSA-N 1 3 361.530 2.216 20 0 FEADHO CCN1CCC[C@@H]1CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000162598183 327029628 /nfs/dbraw/zinc/02/96/28/327029628.db2.gz WEIHJPVAXPYMMS-LJQANCHMSA-N 1 3 359.518 2.424 20 0 FEADHO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000166413534 327081835 /nfs/dbraw/zinc/08/18/35/327081835.db2.gz AHIZINUAIZPKBU-WOJBJXKFSA-N 1 3 371.525 2.445 20 0 FEADHO COc1ccccc1CC(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166413534 327081836 /nfs/dbraw/zinc/08/18/36/327081836.db2.gz AHIZINUAIZPKBU-WOJBJXKFSA-N 1 3 371.525 2.445 20 0 FEADHO COc1ccccc1CC(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166413534 327081838 /nfs/dbraw/zinc/08/18/38/327081838.db2.gz AHIZINUAIZPKBU-WOJBJXKFSA-N 1 3 371.525 2.445 20 0 FEADHO COC1(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC000168514013 327086945 /nfs/dbraw/zinc/08/69/45/327086945.db2.gz HRQOUBHPFBRXSV-MJGOQNOKSA-N 1 3 359.514 2.267 20 0 FEADHO CCc1nc(C)c([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)s1 ZINC000168892785 327087835 /nfs/dbraw/zinc/08/78/35/327087835.db2.gz GMSFFDBVNCSLFV-HNNXBMFYSA-N 1 3 354.564 2.055 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171056460 327114719 /nfs/dbraw/zinc/11/47/19/327114719.db2.gz NQWIUJBDRWPINA-GOSISDBHSA-N 1 3 360.502 2.007 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(OCCN(C)C)cc2)CC[N@@H+]1C ZINC000173754112 327281753 /nfs/dbraw/zinc/28/17/53/327281753.db2.gz RVQNGHKHJBAENP-AEFFLSMTSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(OCCN(C)C)cc2)CC[N@H+]1C ZINC000173754112 327281755 /nfs/dbraw/zinc/28/17/55/327281755.db2.gz RVQNGHKHJBAENP-AEFFLSMTSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCN1C ZINC000173754112 327281757 /nfs/dbraw/zinc/28/17/57/327281757.db2.gz RVQNGHKHJBAENP-AEFFLSMTSA-N 1 3 362.518 2.251 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000173843522 327288371 /nfs/dbraw/zinc/28/83/71/327288371.db2.gz ZCYAIJYFPJKTAC-CEWLAPEOSA-N 1 3 372.557 2.182 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000174201337 327312776 /nfs/dbraw/zinc/31/27/76/327312776.db2.gz PNUNOJIFBWVPNH-IBGZPJMESA-N 1 3 351.535 2.257 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000174201352 327312821 /nfs/dbraw/zinc/31/28/21/327312821.db2.gz PNUNOJIFBWVPNH-LJQANCHMSA-N 1 3 351.535 2.257 20 0 FEADHO CO[C@]1(C)C[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000174468780 327328596 /nfs/dbraw/zinc/32/85/96/327328596.db2.gz LVBCEEAQBLWDPJ-YLJYHZDGSA-N 1 3 366.550 2.048 20 0 FEADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000177541576 327529429 /nfs/dbraw/zinc/52/94/29/327529429.db2.gz BHEYVWHWHWYTMT-QUCCMNQESA-N 1 3 358.530 2.188 20 0 FEADHO C[C@H]1C[C@@H](C(=O)NCCCCN2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000262421655 328864838 /nfs/dbraw/zinc/86/48/38/328864838.db2.gz QPURVXNYZOCICP-OALUTQOASA-N 1 3 358.530 2.093 20 0 FEADHO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCN(C)C3CC3)cc2)CC1 ZINC000265413396 329124234 /nfs/dbraw/zinc/12/42/34/329124234.db2.gz YAJCRBMBYRBGTF-UHFFFAOYSA-N 1 3 372.513 2.067 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](COC)c1ccco1 ZINC000266924291 329273124 /nfs/dbraw/zinc/27/31/24/329273124.db2.gz FRHLUEFYHSLBNM-IRXDYDNUSA-N 1 3 366.506 2.025 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](COC)c1ccco1 ZINC000266924291 329273125 /nfs/dbraw/zinc/27/31/25/329273125.db2.gz FRHLUEFYHSLBNM-IRXDYDNUSA-N 1 3 366.506 2.025 20 0 FEADHO C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000267021621 329284060 /nfs/dbraw/zinc/28/40/60/329284060.db2.gz PPLSIVKCUHMVFW-VGOFRKELSA-N 1 3 373.541 2.216 20 0 FEADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267365394 329319633 /nfs/dbraw/zinc/31/96/33/329319633.db2.gz FFJBVOXZUKJDMX-FPOVZHCZSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267365394 329319635 /nfs/dbraw/zinc/31/96/35/329319635.db2.gz FFJBVOXZUKJDMX-FPOVZHCZSA-N 1 3 372.557 2.041 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000267394865 329322702 /nfs/dbraw/zinc/32/27/02/329322702.db2.gz WWDSPLVWZXZVKE-UHFFFAOYSA-N 1 3 374.529 2.376 20 0 FEADHO C[C@@H]1CN(CCc2nc3ccccc3n2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367029669 330208924 /nfs/dbraw/zinc/20/89/24/330208924.db2.gz MYFSYKBEPVLRPH-MJGOQNOKSA-N 1 3 355.530 2.074 20 0 FEADHO Cc1nnc([C@H]2CC23CC[NH+](CCCN2CCN(C(C)C)CC2)CC3)o1 ZINC000367067078 330213153 /nfs/dbraw/zinc/21/31/53/330213153.db2.gz QBAVOJRAPSNYTO-GOSISDBHSA-N 1 3 361.534 2.364 20 0 FEADHO C[C@H](C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000369342155 330242197 /nfs/dbraw/zinc/24/21/97/330242197.db2.gz IGLSXCVNUIJMBO-QKDSSNGWSA-N 1 3 351.535 2.253 20 0 FEADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000369342155 330242198 /nfs/dbraw/zinc/24/21/98/330242198.db2.gz IGLSXCVNUIJMBO-QKDSSNGWSA-N 1 3 351.535 2.253 20 0 FEADHO C[C@@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)c1cc2n(n1)CCC2 ZINC000414077942 330259817 /nfs/dbraw/zinc/25/98/17/330259817.db2.gz QKWMXMQMEMTLDC-QGZVFWFLSA-N 1 3 354.502 2.087 20 0 FEADHO C[C@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)c1cc2n(n1)CCC2 ZINC000414077940 330259874 /nfs/dbraw/zinc/25/98/74/330259874.db2.gz QKWMXMQMEMTLDC-KRWDZBQOSA-N 1 3 354.502 2.087 20 0 FEADHO CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000433146683 330273245 /nfs/dbraw/zinc/27/32/45/330273245.db2.gz AUIUZLVHYFPBFE-QZTJIDSGSA-N 1 3 360.502 2.022 20 0 FEADHO CC(C)[N@H+](CCN1CCCCCC1)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000553938848 674295713 /nfs/dbraw/zinc/29/57/13/674295713.db2.gz VDDGOTKZRUZZFS-VAMGGRTRSA-N 1 3 355.567 2.043 20 0 FEADHO CC(C)[N@@H+](CCN1CCCCCC1)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000553938848 674295717 /nfs/dbraw/zinc/29/57/17/674295717.db2.gz VDDGOTKZRUZZFS-VAMGGRTRSA-N 1 3 355.567 2.043 20 0 FEADHO CN(C)CC[N@H+](C)CCCN(C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000554889886 674339749 /nfs/dbraw/zinc/33/97/49/674339749.db2.gz ZDIPQJYPLXWJSC-UHFFFAOYSA-N 1 3 355.910 2.427 20 0 FEADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000554889886 674339750 /nfs/dbraw/zinc/33/97/50/674339750.db2.gz ZDIPQJYPLXWJSC-UHFFFAOYSA-N 1 3 355.910 2.427 20 0 FEADHO [NH3+]C[C@@H](C(=O)NCCCN1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000479203216 561184561 /nfs/dbraw/zinc/18/45/61/561184561.db2.gz GSSXPKDLHJENCL-HXUWFJFHSA-N 1 3 355.457 2.433 20 0 FEADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000176381152 546438255 /nfs/dbraw/zinc/43/82/55/546438255.db2.gz UOILZOLSSCEXOB-IBGZPJMESA-N 1 3 359.518 2.391 20 0 FEADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CN4CCN3CCC4)cc2)C1 ZINC000480620353 561213174 /nfs/dbraw/zinc/21/31/74/561213174.db2.gz IBXXYIYASFDGJR-XLIONFOSSA-N 1 3 356.514 2.247 20 0 FEADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CN4CCN3CCC4)cc2)C1 ZINC000480620353 561213175 /nfs/dbraw/zinc/21/31/75/561213175.db2.gz IBXXYIYASFDGJR-XLIONFOSSA-N 1 3 356.514 2.247 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[C@H](C)O1 ZINC000178034488 546726865 /nfs/dbraw/zinc/72/68/65/546726865.db2.gz JVHXJZDTMWYGGC-CALCHBBNSA-N 1 3 363.502 2.363 20 0 FEADHO CN(C)[C@]1(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCSC1 ZINC000481772180 561241543 /nfs/dbraw/zinc/24/15/43/561241543.db2.gz ATKCQLPDEWHSGD-AEFFLSMTSA-N 1 3 354.564 2.084 20 0 FEADHO Cc1c([C@@H](C)NCC2CC[NH+](CCN(C)C)CC2)nnn1-c1ccccc1 ZINC000482364320 561253007 /nfs/dbraw/zinc/25/30/07/561253007.db2.gz VOANVQWBDTWJMU-QGZVFWFLSA-N 1 3 370.545 2.500 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)N2CCC(OC)CC2)C[C@@H]1C ZINC000483762344 561283527 /nfs/dbraw/zinc/28/35/27/561283527.db2.gz RXVMDOUVCSZIJK-IRXDYDNUSA-N 1 3 368.566 2.390 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)N2CCC(OC)CC2)C[C@@H]1C ZINC000483762344 561283528 /nfs/dbraw/zinc/28/35/28/561283528.db2.gz RXVMDOUVCSZIJK-IRXDYDNUSA-N 1 3 368.566 2.390 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(C(F)F)CC3)CC2)CC1 ZINC000485494591 561320361 /nfs/dbraw/zinc/32/03/61/561320361.db2.gz OFOOEEMWMNSPEQ-UHFFFAOYSA-N 1 3 358.477 2.232 20 0 FEADHO O=C(NCc1ccccc1CN1CCCCC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485788049 561327988 /nfs/dbraw/zinc/32/79/88/561327988.db2.gz UNQCLZHEFQQZNW-QGZVFWFLSA-N 1 3 367.497 2.403 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CCN1Cc1ccccc1 ZINC000485817436 561328898 /nfs/dbraw/zinc/32/88/98/561328898.db2.gz PCNDKLMJQLBOLC-KBAYOESNSA-N 1 3 367.497 2.270 20 0 FEADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000486381898 561345683 /nfs/dbraw/zinc/34/56/83/561345683.db2.gz SKRZCGVUVWVISU-KSSFIOAISA-N 1 3 373.501 2.039 20 0 FEADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000486381898 561345684 /nfs/dbraw/zinc/34/56/84/561345684.db2.gz SKRZCGVUVWVISU-KSSFIOAISA-N 1 3 373.501 2.039 20 0 FEADHO CN(C)Cc1ccccc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000486512459 561349546 /nfs/dbraw/zinc/34/95/46/561349546.db2.gz KIUXCHNBZXSEBW-UHFFFAOYSA-N 1 3 359.514 2.465 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000194019454 548422654 /nfs/dbraw/zinc/42/26/54/548422654.db2.gz LYARIWGFMWPWGE-GUDVDZBRSA-N 1 3 357.498 2.025 20 0 FEADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000486607798 561352195 /nfs/dbraw/zinc/35/21/95/561352195.db2.gz VMPVFRVIMGHARQ-RXVVDRJESA-N 1 3 373.541 2.372 20 0 FEADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000486607798 561352196 /nfs/dbraw/zinc/35/21/96/561352196.db2.gz VMPVFRVIMGHARQ-RXVVDRJESA-N 1 3 373.541 2.372 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(F)cc1 ZINC000195118756 548580001 /nfs/dbraw/zinc/58/00/01/548580001.db2.gz KQFSOMCHQASTQO-GOSISDBHSA-N 1 3 350.482 2.383 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(F)cc1 ZINC000195118756 548580005 /nfs/dbraw/zinc/58/00/05/548580005.db2.gz KQFSOMCHQASTQO-GOSISDBHSA-N 1 3 350.482 2.383 20 0 FEADHO CC[NH+]1CCN(c2ccccc2CNCc2ccc(C)n(C)c2=O)CC1 ZINC000487196902 561365934 /nfs/dbraw/zinc/36/59/34/561365934.db2.gz ZKHOIGGDQQVZEQ-UHFFFAOYSA-N 1 3 354.498 2.125 20 0 FEADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000236922556 548789009 /nfs/dbraw/zinc/78/90/09/548789009.db2.gz YSZIJQPBKYQJRS-QUCCMNQESA-N 1 3 360.546 2.074 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N(C)CC[NH+]3CCCC3)cc2)CC1 ZINC000487562816 561372076 /nfs/dbraw/zinc/37/20/76/561372076.db2.gz ILCKVQUYVKNCIK-UHFFFAOYSA-N 1 3 358.530 2.385 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1)[C@@H]1CCCN(C)C1 ZINC000237182352 548805973 /nfs/dbraw/zinc/80/59/73/548805973.db2.gz DOLZCSVTXQJXET-WIYYLYMNSA-N 1 3 372.513 2.181 20 0 FEADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C[C@@H]1CSCCN1 ZINC000237515161 548831745 /nfs/dbraw/zinc/83/17/45/548831745.db2.gz CKTWUGJOKOOZOY-JFIYKMOQSA-N 1 3 361.555 2.354 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)C[C@@H](C)O1 ZINC000237570528 548835258 /nfs/dbraw/zinc/83/52/58/548835258.db2.gz SOTVCLXPOQPZRM-LMMKCTJWSA-N 1 3 363.546 2.114 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)C3([NH3+])CCCCC3)CC2)C[C@H](C)O1 ZINC000237605076 548838787 /nfs/dbraw/zinc/83/87/87/548838787.db2.gz OKPUNAAFDWCWTC-CALCHBBNSA-N 1 3 351.535 2.386 20 0 FEADHO O=C(C[C@@H]1CSCCN1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000238049602 548875126 /nfs/dbraw/zinc/87/51/26/548875126.db2.gz KJAGNCAFFMWLMR-MSRNWOCLSA-N 1 3 359.539 2.393 20 0 FEADHO O=C(C[C@@H]1CSCCN1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000238049602 548875127 /nfs/dbraw/zinc/87/51/27/548875127.db2.gz KJAGNCAFFMWLMR-MSRNWOCLSA-N 1 3 359.539 2.393 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000246338159 549108965 /nfs/dbraw/zinc/10/89/65/549108965.db2.gz ORLHUPBPXOEZHY-NHCUHLMSSA-N 1 3 368.525 2.207 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000246338159 549108968 /nfs/dbraw/zinc/10/89/68/549108968.db2.gz ORLHUPBPXOEZHY-NHCUHLMSSA-N 1 3 368.525 2.207 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@H]2C[C@H](C)O)CC1 ZINC000246596045 549170217 /nfs/dbraw/zinc/17/02/17/549170217.db2.gz GWLQFSDDJPMNLW-FPOVZHCZSA-N 1 3 373.541 2.265 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C[C@H](C)O)CC1 ZINC000246596045 549170220 /nfs/dbraw/zinc/17/02/20/549170220.db2.gz GWLQFSDDJPMNLW-FPOVZHCZSA-N 1 3 373.541 2.265 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NCc2ccccc2)[C@@H](C)C1 ZINC000246957583 549250315 /nfs/dbraw/zinc/25/03/15/549250315.db2.gz IQWUKBYQFKJLTL-NSHGMRRFSA-N 1 3 361.530 2.418 20 0 FEADHO CN1CCC[C@H](CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000247035192 549270336 /nfs/dbraw/zinc/27/03/36/549270336.db2.gz DZOGVXGPXGLMJQ-WOJBJXKFSA-N 1 3 358.530 2.192 20 0 FEADHO CN1CCC[C@H](CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000247035192 549270341 /nfs/dbraw/zinc/27/03/41/549270341.db2.gz DZOGVXGPXGLMJQ-WOJBJXKFSA-N 1 3 358.530 2.192 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CN2CCCCC2)[C@@H](C)C1 ZINC000247311805 549315626 /nfs/dbraw/zinc/31/56/26/549315626.db2.gz VZIOTHDJXOWLTN-OTWHNJEPSA-N 1 3 368.566 2.297 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)CN2CCCCC2)[C@@H](C)C1 ZINC000247311805 549315632 /nfs/dbraw/zinc/31/56/32/549315632.db2.gz VZIOTHDJXOWLTN-OTWHNJEPSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)N1[C@@H](C)CC[C@@H]1C ZINC000247361552 549324382 /nfs/dbraw/zinc/32/43/82/549324382.db2.gz MLMDSMKAZLEDLS-WPVAHCMFSA-N 1 3 364.578 2.265 20 0 FEADHO C[C@@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)N1[C@@H](C)CC[C@@H]1C ZINC000247361552 549324384 /nfs/dbraw/zinc/32/43/84/549324384.db2.gz MLMDSMKAZLEDLS-WPVAHCMFSA-N 1 3 364.578 2.265 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248406984 549430031 /nfs/dbraw/zinc/43/00/31/549430031.db2.gz TVBFIGGYDSOKHU-JENIJYKNSA-N 1 3 366.550 2.049 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248406984 549430035 /nfs/dbraw/zinc/43/00/35/549430035.db2.gz TVBFIGGYDSOKHU-JENIJYKNSA-N 1 3 366.550 2.049 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000248838690 549511003 /nfs/dbraw/zinc/51/10/03/549511003.db2.gz OTMUTBMABDVYGP-UXHICEINSA-N 1 3 374.529 2.061 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000248838690 549511007 /nfs/dbraw/zinc/51/10/07/549511007.db2.gz OTMUTBMABDVYGP-UXHICEINSA-N 1 3 374.529 2.061 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000248856952 549514452 /nfs/dbraw/zinc/51/44/52/549514452.db2.gz PJXZGEBIIYNWIK-RLLQIKCJSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000248870547 549517903 /nfs/dbraw/zinc/51/79/03/549517903.db2.gz QNIQGOYSOSBPDD-MISYRCLQSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000248870547 549517906 /nfs/dbraw/zinc/51/79/06/549517906.db2.gz QNIQGOYSOSBPDD-MISYRCLQSA-N 1 3 358.530 2.490 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000249186235 549565778 /nfs/dbraw/zinc/56/57/78/549565778.db2.gz OCIMZSLNLSABFV-APWZRJJASA-N 1 3 372.513 2.162 20 0 FEADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CC[C@](C)(C[NH3+])C1 ZINC000261724814 549747593 /nfs/dbraw/zinc/74/75/93/549747593.db2.gz JNVOXRDFMRPZDM-HXUWFJFHSA-N 1 3 355.486 2.488 20 0 FEADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@](C)(CN)C1 ZINC000261724814 549747595 /nfs/dbraw/zinc/74/75/95/549747595.db2.gz JNVOXRDFMRPZDM-HXUWFJFHSA-N 1 3 355.486 2.488 20 0 FEADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC[C@](C)(CN)C1 ZINC000261724814 549747597 /nfs/dbraw/zinc/74/75/97/549747597.db2.gz JNVOXRDFMRPZDM-HXUWFJFHSA-N 1 3 355.486 2.488 20 0 FEADHO N[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C1CCOCC1 ZINC000261822812 549759609 /nfs/dbraw/zinc/75/96/09/549759609.db2.gz PNMOWMITEAAZAB-HXUWFJFHSA-N 1 3 359.514 2.433 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccc(OC(F)F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261829467 549760980 /nfs/dbraw/zinc/76/09/80/549760980.db2.gz KWWVNPOJCWNZGV-DOTOQJQBSA-N 1 3 367.440 2.368 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261944742 549772744 /nfs/dbraw/zinc/77/27/44/549772744.db2.gz YBYYHIHHIIXEIK-WBVHZDCISA-N 1 3 367.440 2.368 20 0 FEADHO O=C(NC[C@H]1CCCN(CCOc2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000262119691 549790441 /nfs/dbraw/zinc/79/04/41/549790441.db2.gz BWFOEPGCTONUTK-QAPCUYQASA-N 1 3 365.905 2.299 20 0 FEADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262145387 549792544 /nfs/dbraw/zinc/79/25/44/549792544.db2.gz QJVYRCNQIDFGLS-IBGZPJMESA-N 1 3 357.477 2.108 20 0 FEADHO CC[NH+](CC)CC1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000262308310 549809571 /nfs/dbraw/zinc/80/95/71/549809571.db2.gz YOLYIOIIGQABAL-MBOZVWFJSA-N 1 3 351.535 2.099 20 0 FEADHO O=C(NC1CC[NH2+]CC1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262505942 549825310 /nfs/dbraw/zinc/82/53/10/549825310.db2.gz JWZIWRVMBIPZLO-QGZVFWFLSA-N 1 3 355.404 2.309 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2(N)CCCCC2)cc1 ZINC000262641433 549834820 /nfs/dbraw/zinc/83/48/20/549834820.db2.gz JCVBLACYVLOKBE-UHFFFAOYSA-N 1 3 360.502 2.358 20 0 FEADHO CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000262711682 549842363 /nfs/dbraw/zinc/84/23/63/549842363.db2.gz QVWKUEGQFJOUBC-FXAWDEMLSA-N 1 3 360.502 2.309 20 0 FEADHO CN(CCCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)Cc1ccccc1 ZINC000262888445 549859629 /nfs/dbraw/zinc/85/96/29/549859629.db2.gz ZWBKHEUUVSFSFN-GOSISDBHSA-N 1 3 355.486 2.060 20 0 FEADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000263121141 549879264 /nfs/dbraw/zinc/87/92/64/549879264.db2.gz AWLCNEYARKGBDH-TZIWHRDSSA-N 1 3 359.514 2.167 20 0 FEADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000263199818 549885147 /nfs/dbraw/zinc/88/51/47/549885147.db2.gz IXSAMSHWKSAGPK-RXVVDRJESA-N 1 3 372.513 2.230 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000264127282 549982171 /nfs/dbraw/zinc/98/21/71/549982171.db2.gz OPYNYISVRBGPSK-PMACEKPBSA-N 1 3 374.529 2.096 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000264127282 549982175 /nfs/dbraw/zinc/98/21/75/549982175.db2.gz OPYNYISVRBGPSK-PMACEKPBSA-N 1 3 374.529 2.096 20 0 FEADHO C[C@H](NCc1cccc(OCC(N)=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268973882 550139355 /nfs/dbraw/zinc/13/93/55/550139355.db2.gz ZRGCPJHZVJWLNZ-INIZCTEOSA-N 1 3 371.481 2.342 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000269204324 550167220 /nfs/dbraw/zinc/16/72/20/550167220.db2.gz LFYGOVJVWCIHIO-UHFFFAOYSA-N 1 3 364.493 2.483 20 0 FEADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000269228273 550170000 /nfs/dbraw/zinc/17/00/00/550170000.db2.gz GHVPXCFRLZGTGI-YLJYHZDGSA-N 1 3 359.514 2.303 20 0 FEADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000269228273 550170003 /nfs/dbraw/zinc/17/00/03/550170003.db2.gz GHVPXCFRLZGTGI-YLJYHZDGSA-N 1 3 359.514 2.303 20 0 FEADHO O=C(NCCC[NH+]1CCCC1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000492928648 561453619 /nfs/dbraw/zinc/45/36/19/561453619.db2.gz KZODIILZGGYCJD-UHFFFAOYSA-N 1 3 359.514 2.107 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)Cc1ccncc1 ZINC000493037241 561454210 /nfs/dbraw/zinc/45/42/10/561454210.db2.gz XSOCHLKQGRDGFO-HKUYNNGSSA-N 1 3 361.534 2.070 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)Cc1ccncc1 ZINC000493037241 561454211 /nfs/dbraw/zinc/45/42/11/561454211.db2.gz XSOCHLKQGRDGFO-HKUYNNGSSA-N 1 3 361.534 2.070 20 0 FEADHO CC[C@H](C)[C@H]1CN(CCn2ccnc2C)CC[N@@H+]1CCn1ccnc1C ZINC000270848966 550313680 /nfs/dbraw/zinc/31/36/80/550313680.db2.gz HNKUIDAVILGJDF-FXAWDEMLSA-N 1 3 358.534 2.429 20 0 FEADHO CC[C@H](C)[C@H]1CN(CCn2ccnc2C)CC[N@H+]1CCn1ccnc1C ZINC000270848966 550313681 /nfs/dbraw/zinc/31/36/81/550313681.db2.gz HNKUIDAVILGJDF-FXAWDEMLSA-N 1 3 358.534 2.429 20 0 FEADHO C[C@@H](NC(=O)NCC1=CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272559088 550457911 /nfs/dbraw/zinc/45/79/11/550457911.db2.gz RZTZHVMSORCWLS-XLIONFOSSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@@H](NC(=O)NCC1=CCN(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272559088 550457913 /nfs/dbraw/zinc/45/79/13/550457913.db2.gz RZTZHVMSORCWLS-XLIONFOSSA-N 1 3 356.514 2.458 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H]2CCO[C@H]2C2CC2)CC1 ZINC000494452337 561469977 /nfs/dbraw/zinc/46/99/77/561469977.db2.gz NUHMINVQGDZIPL-UNMCSNQZSA-N 1 3 371.525 2.233 20 0 FEADHO C[C@H]1C[C@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000494554758 561471588 /nfs/dbraw/zinc/47/15/88/561471588.db2.gz XYLIWSYRTZJTKD-OXJNMPFZSA-N 1 3 359.514 2.103 20 0 FEADHO C[C@H]1C[C@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC[N@H+]1C ZINC000494554758 561471589 /nfs/dbraw/zinc/47/15/89/561471589.db2.gz XYLIWSYRTZJTKD-OXJNMPFZSA-N 1 3 359.514 2.103 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)CC[C@H]2CCC[NH2+]2)cc1)[C@@H]1CCCN(C)C1 ZINC000494652996 561473411 /nfs/dbraw/zinc/47/34/11/561473411.db2.gz JWUTZZQIHIXZLN-IEBWSBKVSA-N 1 3 372.513 2.324 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000274921380 550564980 /nfs/dbraw/zinc/56/49/80/550564980.db2.gz JEDNJQLYVMICIJ-HXUWFJFHSA-N 1 3 356.514 2.458 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000274921380 550564982 /nfs/dbraw/zinc/56/49/82/550564982.db2.gz JEDNJQLYVMICIJ-HXUWFJFHSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000494874074 561478219 /nfs/dbraw/zinc/47/82/19/561478219.db2.gz NEQMSLBXLODEDS-KURKYZTESA-N 1 3 366.550 2.144 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CCCO1 ZINC000277718974 550706209 /nfs/dbraw/zinc/70/62/09/550706209.db2.gz PKENKHSYRUMIGC-MISYRCLQSA-N 1 3 374.529 2.232 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CCCO1 ZINC000277718974 550706211 /nfs/dbraw/zinc/70/62/11/550706211.db2.gz PKENKHSYRUMIGC-MISYRCLQSA-N 1 3 374.529 2.232 20 0 FEADHO CN(C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)[C@H]1CCN(C2CC2)C1 ZINC000494985196 561480421 /nfs/dbraw/zinc/48/04/21/561480421.db2.gz ZEHJZSAOFALHRU-NRFANRHFSA-N 1 3 371.525 2.200 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000279322756 550877504 /nfs/dbraw/zinc/87/75/04/550877504.db2.gz SLESHEORSBQCII-HFSMHLIXSA-N 1 3 373.541 2.296 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccnn3-c3ccccc3)CC2)CC1 ZINC000279588675 550906050 /nfs/dbraw/zinc/90/60/50/550906050.db2.gz RDCUYXQLWZYRAZ-UHFFFAOYSA-N 1 3 367.497 2.161 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000279886330 550939433 /nfs/dbraw/zinc/93/94/33/550939433.db2.gz GXKJNSLRPDWGGR-ZBFHGGJFSA-N 1 3 358.511 2.285 20 0 FEADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)[C@@H]1C ZINC000280250695 550974476 /nfs/dbraw/zinc/97/44/76/550974476.db2.gz KRWFPPDZIVFXTN-GJJHYRHESA-N 1 3 360.498 2.321 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000282164556 551189209 /nfs/dbraw/zinc/18/92/09/551189209.db2.gz LVUUCUKLPWRKRN-LJQANCHMSA-N 1 3 359.514 2.417 20 0 FEADHO CN(CC[NH+]1CCCC1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000497599144 561504435 /nfs/dbraw/zinc/50/44/35/561504435.db2.gz XSKOJHRLKPGHHQ-UHFFFAOYSA-N 1 3 354.564 2.085 20 0 FEADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000498126667 561516506 /nfs/dbraw/zinc/51/65/06/561516506.db2.gz PZJGRKLZWCBOGX-VAMGGRTRSA-N 1 3 356.514 2.387 20 0 FEADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000498126667 561516507 /nfs/dbraw/zinc/51/65/07/561516507.db2.gz PZJGRKLZWCBOGX-VAMGGRTRSA-N 1 3 356.514 2.387 20 0 FEADHO C[NH+]1CCC(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000285054450 551697653 /nfs/dbraw/zinc/69/76/53/551697653.db2.gz LLRISRYQIZIBJK-QGZVFWFLSA-N 1 3 351.441 2.354 20 0 FEADHO CC[NH+](CC)CCSCC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000285919747 551827255 /nfs/dbraw/zinc/82/72/55/551827255.db2.gz DWWAVZNZAQQDPV-SFHVURJKSA-N 1 3 367.559 2.489 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000287316700 551988649 /nfs/dbraw/zinc/98/86/49/551988649.db2.gz DFJDCPAXCMYUAP-CVEARBPZSA-N 1 3 373.419 2.178 20 0 FEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000288771045 552209514 /nfs/dbraw/zinc/20/95/14/552209514.db2.gz JOBWZADFSZVLFE-INIZCTEOSA-N 1 3 362.518 2.232 20 0 FEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000288771045 552209515 /nfs/dbraw/zinc/20/95/15/552209515.db2.gz JOBWZADFSZVLFE-INIZCTEOSA-N 1 3 362.518 2.232 20 0 FEADHO CCCN1CCC[C@H]1C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000500220128 561568081 /nfs/dbraw/zinc/56/80/81/561568081.db2.gz GDONGSBSFMRKCA-IBGZPJMESA-N 1 3 353.551 2.458 20 0 FEADHO CCCN1CCC[C@H]1C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000500220128 561568082 /nfs/dbraw/zinc/56/80/82/561568082.db2.gz GDONGSBSFMRKCA-IBGZPJMESA-N 1 3 353.551 2.458 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1COC2=O ZINC000289608439 552349307 /nfs/dbraw/zinc/34/93/07/552349307.db2.gz JIAKXGAPHREVAW-HNNXBMFYSA-N 1 3 374.485 2.237 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1COC2=O ZINC000289608439 552349309 /nfs/dbraw/zinc/34/93/09/552349309.db2.gz JIAKXGAPHREVAW-HNNXBMFYSA-N 1 3 374.485 2.237 20 0 FEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000290037289 552417655 /nfs/dbraw/zinc/41/76/55/552417655.db2.gz GIZZBZBSKOSKQT-MSOLQXFVSA-N 1 3 373.501 2.229 20 0 FEADHO CCC(CC)(CNC(=O)[C@H](N)CCC(=O)OC)[NH2+][C@@H](C)c1ccccc1 ZINC000290097464 552426854 /nfs/dbraw/zinc/42/68/54/552426854.db2.gz XLWQXDZFPDUDTC-DOTOQJQBSA-N 1 3 363.502 2.293 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CC2CCN(C)CC2)cc1 ZINC000291487350 552629410 /nfs/dbraw/zinc/62/94/10/552629410.db2.gz SDASLRCPAROMEV-UHFFFAOYSA-N 1 3 374.529 2.429 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000292654423 552746676 /nfs/dbraw/zinc/74/66/76/552746676.db2.gz QJNCAOMPSRVGED-UTKZUKDTSA-N 1 3 371.529 2.344 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000292654423 552746677 /nfs/dbraw/zinc/74/66/77/552746677.db2.gz QJNCAOMPSRVGED-UTKZUKDTSA-N 1 3 371.529 2.344 20 0 FEADHO CN(C)C[C@@H](NC(=O)Nc1ccnn1CC[NH+](C)C)c1ccc(F)cc1 ZINC000297434347 553291662 /nfs/dbraw/zinc/29/16/62/553291662.db2.gz PGIXVFRYJWXMHU-MRXNPFEDSA-N 1 3 362.453 2.008 20 0 FEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NCCNc1ccncc1)c1ccccc1 ZINC000503765593 561647881 /nfs/dbraw/zinc/64/78/81/561647881.db2.gz OHVUJLUQJMOXBG-INIZCTEOSA-N 1 3 355.486 2.344 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(-n2cccn2)cc1 ZINC000505738437 561678909 /nfs/dbraw/zinc/67/89/09/561678909.db2.gz RYMJONSBACLFRN-FQEVSTJZSA-N 1 3 369.513 2.360 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(-n2cccn2)cc1 ZINC000505738437 561678910 /nfs/dbraw/zinc/67/89/10/561678910.db2.gz RYMJONSBACLFRN-FQEVSTJZSA-N 1 3 369.513 2.360 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1cccc(F)c1 ZINC000505838395 561682334 /nfs/dbraw/zinc/68/23/34/561682334.db2.gz KPHCQJWNPFZALG-QGZVFWFLSA-N 1 3 351.466 2.079 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1cccc(F)c1 ZINC000505838395 561682335 /nfs/dbraw/zinc/68/23/35/561682335.db2.gz KPHCQJWNPFZALG-QGZVFWFLSA-N 1 3 351.466 2.079 20 0 FEADHO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000332984816 554554142 /nfs/dbraw/zinc/55/41/42/554554142.db2.gz BJBMFWJRJYKVIT-KURKYZTESA-N 1 3 357.498 2.479 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000333096507 554571789 /nfs/dbraw/zinc/57/17/89/554571789.db2.gz DCPUVVBTESFSLW-XUVXKRRUSA-N 1 3 365.562 2.381 20 0 FEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000333226448 554591197 /nfs/dbraw/zinc/59/11/97/554591197.db2.gz BBOUCJXFQGIHBD-VQIMIIECSA-N 1 3 365.543 2.065 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCCC1)N[C@H]1CCCC[NH2+]C1 ZINC000333399227 554609389 /nfs/dbraw/zinc/60/93/89/554609389.db2.gz PSBKWZVVEDFYKY-INIZCTEOSA-N 1 3 354.564 2.179 20 0 FEADHO C[C@@H]1CN(C(=O)NCC2(N3CCSCC3)CCCCC2)CC[C@@H]1[NH3+] ZINC000333401744 554609611 /nfs/dbraw/zinc/60/96/11/554609611.db2.gz QASRZLZEIHHXTG-CVEARBPZSA-N 1 3 354.564 2.117 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000333405229 554610286 /nfs/dbraw/zinc/61/02/86/554610286.db2.gz FPPWGCSHUPRJIS-GJYPPUQNSA-N 1 3 359.518 2.389 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000333405229 554610288 /nfs/dbraw/zinc/61/02/88/554610288.db2.gz FPPWGCSHUPRJIS-GJYPPUQNSA-N 1 3 359.518 2.389 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCN1Cc1ccccc1 ZINC000333442193 554613819 /nfs/dbraw/zinc/61/38/19/554613819.db2.gz WGSDGXYEJUJHFA-XZEJUNMKSA-N 1 3 356.514 2.418 20 0 FEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333835385 554648126 /nfs/dbraw/zinc/64/81/26/554648126.db2.gz KCQQEZNBVFFPGU-CTRAYCPCSA-N 1 3 351.535 2.098 20 0 FEADHO C[C@H](NC(=O)NC[C@@]1(N(C)C)CCSC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511291648 561864085 /nfs/dbraw/zinc/86/40/85/561864085.db2.gz HUMIYBIZIVBOQR-BXWFABGCSA-N 1 3 368.591 2.376 20 0 FEADHO C[C@H](NC(=O)NC[C@@]1(N(C)C)CCSC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511291648 561864087 /nfs/dbraw/zinc/86/40/87/561864087.db2.gz HUMIYBIZIVBOQR-BXWFABGCSA-N 1 3 368.591 2.376 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000361005222 554900137 /nfs/dbraw/zinc/90/01/37/554900137.db2.gz TYUJSCZPONGETO-LJQANCHMSA-N 1 3 373.545 2.466 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@H](O)COc1ccc(F)cc1 ZINC000362802833 554989415 /nfs/dbraw/zinc/98/94/15/554989415.db2.gz QBUVFCTWKHHRGE-DJABAAGCSA-N 1 3 366.477 2.044 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@H](O)COc1ccc(F)cc1 ZINC000362802833 554989416 /nfs/dbraw/zinc/98/94/16/554989416.db2.gz QBUVFCTWKHHRGE-DJABAAGCSA-N 1 3 366.477 2.044 20 0 FEADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000363146238 555040040 /nfs/dbraw/zinc/04/00/40/555040040.db2.gz YBACEXMAGMFYBQ-VQTJNVASSA-N 1 3 366.594 2.373 20 0 FEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000363518780 555126101 /nfs/dbraw/zinc/12/61/01/555126101.db2.gz AIMJCJOJVLLZRP-MJGOQNOKSA-N 1 3 361.534 2.323 20 0 FEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000363518780 555126102 /nfs/dbraw/zinc/12/61/02/555126102.db2.gz AIMJCJOJVLLZRP-MJGOQNOKSA-N 1 3 361.534 2.323 20 0 FEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000363521122 555126601 /nfs/dbraw/zinc/12/66/01/555126601.db2.gz AWHGGEJSWNATOC-NRFANRHFSA-N 1 3 372.557 2.135 20 0 FEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000363521122 555126602 /nfs/dbraw/zinc/12/66/02/555126602.db2.gz AWHGGEJSWNATOC-NRFANRHFSA-N 1 3 372.557 2.135 20 0 FEADHO C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512311059 561899774 /nfs/dbraw/zinc/89/97/74/561899774.db2.gz VBKBIMHQZILFMT-DLBZAZTESA-N 1 3 351.441 2.354 20 0 FEADHO C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512311059 561899776 /nfs/dbraw/zinc/89/97/76/561899776.db2.gz VBKBIMHQZILFMT-DLBZAZTESA-N 1 3 351.441 2.354 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000364782862 555401496 /nfs/dbraw/zinc/40/14/96/555401496.db2.gz JARJVZBOZRHEAC-IRLDBZIGSA-N 1 3 371.525 2.186 20 0 FEADHO C[C@H](C(=O)NCC(F)(F)F)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364983809 555457228 /nfs/dbraw/zinc/45/72/28/555457228.db2.gz JURPTTJCYLXZKY-CYBMUJFWSA-N 1 3 358.408 2.297 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000365417148 555569856 /nfs/dbraw/zinc/56/98/56/555569856.db2.gz NMFSRNTZNBQLRP-UHFFFAOYSA-N 1 3 374.529 2.443 20 0 FEADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000365443854 555577522 /nfs/dbraw/zinc/57/75/22/555577522.db2.gz PQWKCJQSTTYSQA-UYAOXDASSA-N 1 3 364.578 2.173 20 0 FEADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000365443854 555577525 /nfs/dbraw/zinc/57/75/25/555577525.db2.gz PQWKCJQSTTYSQA-UYAOXDASSA-N 1 3 364.578 2.173 20 0 FEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@](O)(C2CC2)C1 ZINC000365834053 555678604 /nfs/dbraw/zinc/67/86/04/555678604.db2.gz AEYBVZGGUJIYTI-HTAPYJJXSA-N 1 3 371.525 2.003 20 0 FEADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000365878634 555690643 /nfs/dbraw/zinc/69/06/43/555690643.db2.gz BZLZTLUSWPNLHH-POAQFYNOSA-N 1 3 359.514 2.367 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000365878634 555690648 /nfs/dbraw/zinc/69/06/48/555690648.db2.gz BZLZTLUSWPNLHH-POAQFYNOSA-N 1 3 359.514 2.367 20 0 FEADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H](N)C(C)(C)C ZINC000366320533 555811284 /nfs/dbraw/zinc/81/12/84/555811284.db2.gz FIGBSBCHHGCPIX-GOSISDBHSA-N 1 3 352.567 2.015 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000366326089 555813152 /nfs/dbraw/zinc/81/31/52/555813152.db2.gz QQBCPDHFKLJHNJ-HAGHYFMRSA-N 1 3 356.514 2.331 20 0 FEADHO [NH3+]CCc1nc(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cs1 ZINC000366416052 555837572 /nfs/dbraw/zinc/83/75/72/555837572.db2.gz DORCBBNBFTWFOA-INIZCTEOSA-N 1 3 358.511 2.286 20 0 FEADHO CCN1CCN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cn2)CC1 ZINC000514099758 561960388 /nfs/dbraw/zinc/96/03/88/561960388.db2.gz QLYCNUXNDOLZHY-ZCNNSNEGSA-N 1 3 357.546 2.186 20 0 FEADHO CCN1CCN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cn2)CC1 ZINC000514099758 561960389 /nfs/dbraw/zinc/96/03/89/561960389.db2.gz QLYCNUXNDOLZHY-ZCNNSNEGSA-N 1 3 357.546 2.186 20 0 FEADHO N[C@H]1C[C@H]2C[N@H+](CC(Cc3ccccc3)Cc3ccccc3)CCN2C1=O ZINC000514615562 561970099 /nfs/dbraw/zinc/97/00/99/561970099.db2.gz ZQEIBVKVLUBCMZ-VXKWHMMOSA-N 1 3 363.505 2.332 20 0 FEADHO N[C@H]1C[C@H]2C[N@@H+](CC(Cc3ccccc3)Cc3ccccc3)CCN2C1=O ZINC000514615562 561970100 /nfs/dbraw/zinc/97/01/00/561970100.db2.gz ZQEIBVKVLUBCMZ-VXKWHMMOSA-N 1 3 363.505 2.332 20 0 FEADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000367527575 556074389 /nfs/dbraw/zinc/07/43/89/556074389.db2.gz PVSYJDAWPAJXFS-QZTJIDSGSA-N 1 3 366.550 2.098 20 0 FEADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000367527575 556074390 /nfs/dbraw/zinc/07/43/90/556074390.db2.gz PVSYJDAWPAJXFS-QZTJIDSGSA-N 1 3 366.550 2.098 20 0 FEADHO C[C@@H](c1cn(-c2ccccc2)nn1)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367673840 556111089 /nfs/dbraw/zinc/11/10/89/556111089.db2.gz SKKBOMUWZAUBOC-FXAWDEMLSA-N 1 3 368.529 2.429 20 0 FEADHO C[N@H+](CC1CCN(c2ccncc2)CC1)CC1CCS(=O)(=O)CC1 ZINC000367887002 556165356 /nfs/dbraw/zinc/16/53/56/556165356.db2.gz RUIVFXSQUGWKOA-UHFFFAOYSA-N 1 3 351.516 2.055 20 0 FEADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)CC1CCS(=O)(=O)CC1 ZINC000367887002 556165360 /nfs/dbraw/zinc/16/53/60/556165360.db2.gz RUIVFXSQUGWKOA-UHFFFAOYSA-N 1 3 351.516 2.055 20 0 FEADHO COCCOc1cccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000368040321 556201829 /nfs/dbraw/zinc/20/18/29/556201829.db2.gz IIADOMAQCORRTG-UHFFFAOYSA-N 1 3 361.530 2.171 20 0 FEADHO CC[NH+]1CCC(CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000515158190 561998365 /nfs/dbraw/zinc/99/83/65/561998365.db2.gz HQIDGCNNAWUBKA-SFHVURJKSA-N 1 3 350.482 2.460 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000368313779 556275907 /nfs/dbraw/zinc/27/59/07/556275907.db2.gz APJYTTMOVIQALE-CALCHBBNSA-N 1 3 351.535 2.066 20 0 FEADHO O=C(NC1CCN(CCc2ccncc2)CC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368884162 556438819 /nfs/dbraw/zinc/43/88/19/556438819.db2.gz PKJSYEQPQSDHCT-PMACEKPBSA-N 1 3 371.529 2.015 20 0 FEADHO O=C(NC1CCN(CCc2ccncc2)CC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368884162 556438821 /nfs/dbraw/zinc/43/88/21/556438821.db2.gz PKJSYEQPQSDHCT-PMACEKPBSA-N 1 3 371.529 2.015 20 0 FEADHO CN1CCN(Cc2ccc(NC(=O)[C@@H](C[NH3+])c3ccccc3)cc2)CC1 ZINC000515643039 562018099 /nfs/dbraw/zinc/01/80/99/562018099.db2.gz WXOUVHJMRLRUHP-FQEVSTJZSA-N 1 3 352.482 2.115 20 0 FEADHO C[C@@H](CNC(=O)NC1CCN(Cc2cccs2)CC1)[N@H+](C)C1CC1 ZINC000369046808 556487770 /nfs/dbraw/zinc/48/77/70/556487770.db2.gz IWVFQKYDDXCODM-AWEZNQCLSA-N 1 3 350.532 2.494 20 0 FEADHO C[C@@H](CNC(=O)NC1CCN(Cc2cccs2)CC1)[N@@H+](C)C1CC1 ZINC000369046808 556487773 /nfs/dbraw/zinc/48/77/73/556487773.db2.gz IWVFQKYDDXCODM-AWEZNQCLSA-N 1 3 350.532 2.494 20 0 FEADHO CCN(CC)[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000369278343 556561917 /nfs/dbraw/zinc/56/19/17/556561917.db2.gz QSUZRTWUVGEKJC-PZJWPPBQSA-N 1 3 372.557 2.354 20 0 FEADHO CCN(CC)[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000369278343 556561918 /nfs/dbraw/zinc/56/19/18/556561918.db2.gz QSUZRTWUVGEKJC-PZJWPPBQSA-N 1 3 372.557 2.354 20 0 FEADHO CCN(CC)[C@@H](C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369278343 556561922 /nfs/dbraw/zinc/56/19/22/556561922.db2.gz QSUZRTWUVGEKJC-PZJWPPBQSA-N 1 3 372.557 2.354 20 0 FEADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cc1 ZINC000369356204 556578432 /nfs/dbraw/zinc/57/84/32/556578432.db2.gz VOWGEBFVQIDHDE-NRFANRHFSA-N 1 3 372.557 2.380 20 0 FEADHO CCC[NH+](CCC)CCCC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000369359332 556579841 /nfs/dbraw/zinc/57/98/41/556579841.db2.gz QECLKIMPTKSGOQ-LJQANCHMSA-N 1 3 352.567 2.127 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000369661130 556661957 /nfs/dbraw/zinc/66/19/57/556661957.db2.gz OYAYGYHOFDPJOX-UXPWSPDFSA-N 1 3 359.514 2.367 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000369661130 556661958 /nfs/dbraw/zinc/66/19/58/556661958.db2.gz OYAYGYHOFDPJOX-UXPWSPDFSA-N 1 3 359.514 2.367 20 0 FEADHO CC(C)(C)[NH+]1CCC(NC(=O)c2cnn(CCN3CCCCC3)c2)CC1 ZINC000369763700 556688304 /nfs/dbraw/zinc/68/83/04/556688304.db2.gz QSLNWBOVGVRJKA-UHFFFAOYSA-N 1 3 361.534 2.362 20 0 FEADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000369956686 556741203 /nfs/dbraw/zinc/74/12/03/556741203.db2.gz CZKHVQFCGBIUOU-VURPSTOHSA-N 1 3 362.514 2.214 20 0 FEADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000369956686 556741207 /nfs/dbraw/zinc/74/12/07/556741207.db2.gz CZKHVQFCGBIUOU-VURPSTOHSA-N 1 3 362.514 2.214 20 0 FEADHO [NH3+]C1(CNC(=O)c2ccc3c(c2)CNC3)CCN(Cc2ccccc2)CC1 ZINC000516569173 562048676 /nfs/dbraw/zinc/04/86/76/562048676.db2.gz UAGDILYSDITBQT-UHFFFAOYSA-N 1 3 364.493 2.013 20 0 FEADHO CC[C@H](C)NC(=O)[C@@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371157558 557092336 /nfs/dbraw/zinc/09/23/36/557092336.db2.gz NXQUMSLMTBMMDZ-ZWKOTPCHSA-N 1 3 366.594 2.418 20 0 FEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000517636265 562094263 /nfs/dbraw/zinc/09/42/63/562094263.db2.gz SKNOOAWSJRGZDM-HXUWFJFHSA-N 1 3 372.557 2.435 20 0 FEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000517636265 562094264 /nfs/dbraw/zinc/09/42/64/562094264.db2.gz SKNOOAWSJRGZDM-HXUWFJFHSA-N 1 3 372.557 2.435 20 0 FEADHO CCN1CCN(CCC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000371571064 557226299 /nfs/dbraw/zinc/22/62/99/557226299.db2.gz KEIURQSMBBZMGM-HXUWFJFHSA-N 1 3 364.578 2.129 20 0 FEADHO COc1cccc(N2CCC([NH2+]CCCN3CCCN(C)CC3)CC2)c1 ZINC000372059950 557369262 /nfs/dbraw/zinc/36/92/62/557369262.db2.gz BVHAFPGNTKLMAX-UHFFFAOYSA-N 1 3 360.546 2.281 20 0 FEADHO CN1CC[C@@H](CNC(=O)NCCCC[NH+]2CCCC2)[C@@H]1c1cccnc1 ZINC000372438113 557470378 /nfs/dbraw/zinc/47/03/78/557470378.db2.gz FGADWXXGZXZIHS-OALUTQOASA-N 1 3 359.518 2.250 20 0 FEADHO C[C@H](CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[N@H+](C)C1CC1 ZINC000372541698 557498498 /nfs/dbraw/zinc/49/84/98/557498498.db2.gz AFQKFFOAACOJJU-AYBZRNKSSA-N 1 3 359.518 2.199 20 0 FEADHO C[C@H](CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[N@@H+](C)C1CC1 ZINC000372541698 557498499 /nfs/dbraw/zinc/49/84/99/557498499.db2.gz AFQKFFOAACOJJU-AYBZRNKSSA-N 1 3 359.518 2.199 20 0 FEADHO CN(C)CCOc1cc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)ccn1 ZINC000373138980 557636593 /nfs/dbraw/zinc/63/65/93/557636593.db2.gz MCVRBNJRJKBPMZ-UHFFFAOYSA-N 1 3 372.469 2.009 20 0 FEADHO COC[C@H](C)OC[C@H](O)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000373180757 557645333 /nfs/dbraw/zinc/64/53/33/557645333.db2.gz QAPDVHUGAXJNAT-CMKODMSKSA-N 1 3 356.551 2.375 20 0 FEADHO COC[C@H](C)OC[C@H](O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000373180757 557645337 /nfs/dbraw/zinc/64/53/37/557645337.db2.gz QAPDVHUGAXJNAT-CMKODMSKSA-N 1 3 356.551 2.375 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000373317593 557670998 /nfs/dbraw/zinc/67/09/98/557670998.db2.gz JDNMNQPVCHHKSC-FUHWJXTLSA-N 1 3 368.566 2.248 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)c(C)c2)CC1 ZINC000520197430 562150299 /nfs/dbraw/zinc/15/02/99/562150299.db2.gz TWIYBDWRZIKGLM-DLBZAZTESA-N 1 3 359.518 2.399 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373931702 557789587 /nfs/dbraw/zinc/78/95/87/557789587.db2.gz CULAXAUXDUPTQE-SJORKVTESA-N 1 3 366.575 2.274 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373931702 557789590 /nfs/dbraw/zinc/78/95/90/557789590.db2.gz CULAXAUXDUPTQE-SJORKVTESA-N 1 3 366.575 2.274 20 0 FEADHO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCCC[C@@H](CO)C2)CC1 ZINC000374051164 557814267 /nfs/dbraw/zinc/81/42/67/557814267.db2.gz PXEVCPJPUWOTMI-HXUWFJFHSA-N 1 3 373.541 2.124 20 0 FEADHO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCCC[C@@H](CO)C2)CC1 ZINC000374051164 557814269 /nfs/dbraw/zinc/81/42/69/557814269.db2.gz PXEVCPJPUWOTMI-HXUWFJFHSA-N 1 3 373.541 2.124 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)CC1 ZINC000374320370 557865107 /nfs/dbraw/zinc/86/51/07/557865107.db2.gz IGZUJOOVQVIDDP-FQEVSTJZSA-N 1 3 364.578 2.127 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)CC1 ZINC000374320370 557865108 /nfs/dbraw/zinc/86/51/08/557865108.db2.gz IGZUJOOVQVIDDP-FQEVSTJZSA-N 1 3 364.578 2.127 20 0 FEADHO CN(c1ccccc1CN[C@@H]1CC(=O)N2CCCC[C@H]12)C1CC[NH+](C)CC1 ZINC000374592899 557903730 /nfs/dbraw/zinc/90/37/30/557903730.db2.gz LDUNRDXFQCCTNC-TZIWHRDSSA-N 1 3 370.541 2.460 20 0 FEADHO C[C@H]1CN(CCC(=O)Nc2ccc(F)cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000374616306 557907166 /nfs/dbraw/zinc/90/71/66/557907166.db2.gz YWWJORFZSIXVIB-INIZCTEOSA-N 1 3 362.493 2.255 20 0 FEADHO C[C@H]1CN(CCC(=O)Nc2ccc(F)cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000374616306 557907168 /nfs/dbraw/zinc/90/71/68/557907168.db2.gz YWWJORFZSIXVIB-INIZCTEOSA-N 1 3 362.493 2.255 20 0 FEADHO C[C@H]1CN(CCC(=O)Nc2ccc(F)cc2)CCN1C1CC[NH+](C)CC1 ZINC000374616306 557907171 /nfs/dbraw/zinc/90/71/71/557907171.db2.gz YWWJORFZSIXVIB-INIZCTEOSA-N 1 3 362.493 2.255 20 0 FEADHO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000375448975 558029320 /nfs/dbraw/zinc/02/93/20/558029320.db2.gz NNKGYDVJFKUWEI-MTFMMBMASA-N 1 3 359.514 2.343 20 0 FEADHO CN1CCC[C@H](C[NH2+]Cc2cc(=O)n3nccc3[nH]2)[C@H]1c1ccccc1 ZINC000375456711 558030718 /nfs/dbraw/zinc/03/07/18/558030718.db2.gz SXCXWTOBRGQACP-OXQOHEQNSA-N 1 3 351.454 2.195 20 0 FEADHO C[C@@H](CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000376071836 558122844 /nfs/dbraw/zinc/12/28/44/558122844.db2.gz YLGAOJPHTQGNHU-UMGGQSCQSA-N 1 3 373.545 2.494 20 0 FEADHO C[C@@H](CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)[N@H+]1CCC[C@@H](C)C1 ZINC000376071836 558122845 /nfs/dbraw/zinc/12/28/45/558122845.db2.gz YLGAOJPHTQGNHU-UMGGQSCQSA-N 1 3 373.545 2.494 20 0 FEADHO C[C@H](C(=O)NC1CCC(C)CC1)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376800142 558223106 /nfs/dbraw/zinc/22/31/06/558223106.db2.gz XHBPNEPLQDXRJO-CBJHCWRLSA-N 1 3 364.578 2.170 20 0 FEADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000377321311 558315231 /nfs/dbraw/zinc/31/52/31/558315231.db2.gz JYJFWIPARIESSR-HXUWFJFHSA-N 1 3 369.525 2.302 20 0 FEADHO CCO[C@H]1C[C@@H](NCc2ccncc2OCC[NH+](C)C)C12CCOCC2 ZINC000377569709 558367940 /nfs/dbraw/zinc/36/79/40/558367940.db2.gz XAODVOOZKVOCGC-MOPGFXCFSA-N 1 3 363.502 2.086 20 0 FEADHO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000377635076 558382396 /nfs/dbraw/zinc/38/23/96/558382396.db2.gz ZUNHFWCOMWVFCX-VQIMIIECSA-N 1 3 371.591 2.481 20 0 FEADHO CCN(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000377637251 558383032 /nfs/dbraw/zinc/38/30/32/558383032.db2.gz PPRYXOLYYJNCHR-NHCUHLMSSA-N 1 3 372.557 2.306 20 0 FEADHO CCN(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000377637251 558383033 /nfs/dbraw/zinc/38/30/33/558383033.db2.gz PPRYXOLYYJNCHR-NHCUHLMSSA-N 1 3 372.557 2.306 20 0 FEADHO CCN(C)[C@@H](C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000377637251 558383035 /nfs/dbraw/zinc/38/30/35/558383035.db2.gz PPRYXOLYYJNCHR-NHCUHLMSSA-N 1 3 372.557 2.306 20 0 FEADHO COCCOc1ccccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000377684177 558395980 /nfs/dbraw/zinc/39/59/80/558395980.db2.gz WCISXOCJYMLTLU-GOSISDBHSA-N 1 3 361.530 2.312 20 0 FEADHO COCCOc1ccccc1CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000377684177 558395982 /nfs/dbraw/zinc/39/59/82/558395982.db2.gz WCISXOCJYMLTLU-GOSISDBHSA-N 1 3 361.530 2.312 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)cc2)CC1 ZINC000377812207 558425147 /nfs/dbraw/zinc/42/51/47/558425147.db2.gz UGJXJWDTIJTEKU-HXUWFJFHSA-N 1 3 370.541 2.290 20 0 FEADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000523789712 562219927 /nfs/dbraw/zinc/21/99/27/562219927.db2.gz ALCZFDWNIYUPNQ-KRWDZBQOSA-N 1 3 368.591 2.331 20 0 FEADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000523789712 562219928 /nfs/dbraw/zinc/21/99/28/562219928.db2.gz ALCZFDWNIYUPNQ-KRWDZBQOSA-N 1 3 368.591 2.331 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390753239 558611952 /nfs/dbraw/zinc/61/19/52/558611952.db2.gz UFAXKAABXZFSSS-VWNVYAMZSA-N 1 3 371.525 2.300 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390753239 558611953 /nfs/dbraw/zinc/61/19/53/558611953.db2.gz UFAXKAABXZFSSS-VWNVYAMZSA-N 1 3 371.525 2.300 20 0 FEADHO OC1(C[NH2+]Cc2cnn3ccccc23)CCN(Cc2ccccc2)CC1 ZINC000397485902 558624499 /nfs/dbraw/zinc/62/44/99/558624499.db2.gz BPLQNLHBSDAQHM-UHFFFAOYSA-N 1 3 350.466 2.451 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000410386879 558754470 /nfs/dbraw/zinc/75/44/70/558754470.db2.gz GHIZFSKOWBMZAM-UHFFFAOYSA-N 1 3 362.518 2.110 20 0 FEADHO CN(C)C(=O)CCN1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411346004 558881368 /nfs/dbraw/zinc/88/13/68/558881368.db2.gz LORHZXDDWAIBGZ-UHFFFAOYSA-N 1 3 372.557 2.268 20 0 FEADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCc2cncs2)CC1 ZINC000411402019 558888120 /nfs/dbraw/zinc/88/81/20/558888120.db2.gz YYKBPJNPYUGRGG-UHFFFAOYSA-N 1 3 364.559 2.390 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CNC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC000411400651 558888368 /nfs/dbraw/zinc/88/83/68/558888368.db2.gz KERIGMVGFRVOBD-UHFFFAOYSA-N 1 3 374.573 2.476 20 0 FEADHO Cc1c(F)cccc1NC(=O)CCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000411411017 558889742 /nfs/dbraw/zinc/88/97/42/558889742.db2.gz UMVIFRWOZDNGAE-UHFFFAOYSA-N 1 3 364.509 2.421 20 0 FEADHO Cc1c(F)cccc1NC(=O)CCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000411411017 558889744 /nfs/dbraw/zinc/88/97/44/558889744.db2.gz UMVIFRWOZDNGAE-UHFFFAOYSA-N 1 3 364.509 2.421 20 0 FEADHO CC(C)C[C@H](C)n1nccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525890551 562258765 /nfs/dbraw/zinc/25/87/65/562258765.db2.gz BUBKPUZRUCDTKL-INIZCTEOSA-N 1 3 352.527 2.447 20 0 FEADHO CN(CCCN1CCN(C)CC1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412132503 559016162 /nfs/dbraw/zinc/01/61/62/559016162.db2.gz WILMEJKFVICVQQ-UHFFFAOYSA-N 1 3 372.557 2.382 20 0 FEADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000412672541 559049949 /nfs/dbraw/zinc/04/99/49/559049949.db2.gz LUMUWSNSBFPTLE-WOJBJXKFSA-N 1 3 371.525 2.268 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)OCC3CC3)CC2)CC1 ZINC000413203190 559088218 /nfs/dbraw/zinc/08/82/18/559088218.db2.gz MAVAHZHDEKOGFY-UHFFFAOYSA-N 1 3 366.550 2.049 20 0 FEADHO COc1ccc2c(c1)[C@H]([NH2+]CC1(N3CCOCC3)CCN(C)CC1)CC2 ZINC000414192667 559152496 /nfs/dbraw/zinc/15/24/96/559152496.db2.gz MDFCBQNLGZDEJL-HXUWFJFHSA-N 1 3 359.514 2.069 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000414324688 559156260 /nfs/dbraw/zinc/15/62/60/559156260.db2.gz JECGLJZOXJJJST-CQSZACIVSA-N 1 3 355.429 2.371 20 0 FEADHO C[N@@H+](Cc1csc(Br)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414689362 559179887 /nfs/dbraw/zinc/17/98/87/559179887.db2.gz KWONALNFCXVAQN-LLVKDONJSA-N 1 3 360.321 2.140 20 0 FEADHO C[N@H+](Cc1csc(Br)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414689362 559179888 /nfs/dbraw/zinc/17/98/88/559179888.db2.gz KWONALNFCXVAQN-LLVKDONJSA-N 1 3 360.321 2.140 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000414693552 559180285 /nfs/dbraw/zinc/18/02/85/559180285.db2.gz CEENJPFUSCHBOF-HOTGVXAUSA-N 1 3 360.502 2.114 20 0 FEADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)cc1 ZINC000414714320 559181765 /nfs/dbraw/zinc/18/17/65/559181765.db2.gz WTUATDPMUJMOGK-IBGZPJMESA-N 1 3 374.529 2.217 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC(C)(C)N2CCC[C@H](C)C2)cc1 ZINC000414737551 559183412 /nfs/dbraw/zinc/18/34/12/559183412.db2.gz HHWPKTVKVUWEGW-GJZGRUSLSA-N 1 3 360.502 2.272 20 0 FEADHO COCCOc1cc2c(cc1CN1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)OCO2 ZINC000414785274 559187438 /nfs/dbraw/zinc/18/74/38/559187438.db2.gz SGGIZVRXXLBMJG-HZPDHXFCSA-N 1 3 362.470 2.262 20 0 FEADHO COC[C@@]1(CNCc2ccccc2N(C)C2CCN(C)CC2)CCC[NH2+]1 ZINC000414946223 559196503 /nfs/dbraw/zinc/19/65/03/559196503.db2.gz SCIZLILYNQHCAQ-NRFANRHFSA-N 1 3 360.546 2.075 20 0 FEADHO CCOc1c(CNCC2(COC)CC[NH2+]CC2)c(C)nn1CC(C)C ZINC000414961985 559197295 /nfs/dbraw/zinc/19/72/95/559197295.db2.gz VUZWLFUOLIEUOD-UHFFFAOYSA-N 1 3 352.523 2.352 20 0 FEADHO CCS(=O)(=O)c1c(Cl)cccc1CNCC1(COC)CC[NH2+]CC1 ZINC000414969027 559198050 /nfs/dbraw/zinc/19/80/50/559198050.db2.gz GGRRTPWWDQNOGT-UHFFFAOYSA-N 1 3 374.934 2.239 20 0 FEADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415069226 559203703 /nfs/dbraw/zinc/20/37/03/559203703.db2.gz OMMGNVLUVHDVEB-DOTOQJQBSA-N 1 3 362.543 2.479 20 0 FEADHO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415125314 559206803 /nfs/dbraw/zinc/20/68/03/559206803.db2.gz SHVWZQDGKROPSN-KRWDZBQOSA-N 1 3 369.513 2.283 20 0 FEADHO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc(OCC(F)F)cc3)C2)nn1 ZINC000415132330 559207177 /nfs/dbraw/zinc/20/71/77/559207177.db2.gz TZVMNCVPHGQTLK-OAHLLOKOSA-N 1 3 351.401 2.218 20 0 FEADHO [NH3+]Cc1ccc(NC(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)cc1 ZINC000415234121 559216892 /nfs/dbraw/zinc/21/68/92/559216892.db2.gz UUBUQQKHUDXVKB-UHFFFAOYSA-N 1 3 372.513 2.246 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H](N)c2ccccc2)c1 ZINC000415394384 559230784 /nfs/dbraw/zinc/23/07/84/559230784.db2.gz QHOFDWQMGFFOJJ-LJQANCHMSA-N 1 3 368.481 2.283 20 0 FEADHO CCCN(C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000415405470 559232210 /nfs/dbraw/zinc/23/22/10/559232210.db2.gz OJLAERBQSKECJC-LJQANCHMSA-N 1 3 372.513 2.212 20 0 FEADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000415484601 559242285 /nfs/dbraw/zinc/24/22/85/559242285.db2.gz HYQQSPKXCYAAPE-CQSZACIVSA-N 1 3 354.454 2.023 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)ccc1CN(C)C ZINC000415500399 559243963 /nfs/dbraw/zinc/24/39/63/559243963.db2.gz VOOMNQJFVBUHCD-OAHLLOKOSA-N 1 3 368.481 2.331 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000415810687 559273714 /nfs/dbraw/zinc/27/37/14/559273714.db2.gz XTLDCHSPMYXARO-QGZVFWFLSA-N 1 3 360.502 2.115 20 0 FEADHO O=C(Nc1ccc2c(c1)CNCC2)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000415904340 559281902 /nfs/dbraw/zinc/28/19/02/559281902.db2.gz YJJZSJJAHVZORQ-VQTJNVASSA-N 1 3 372.513 2.222 20 0 FEADHO C[NH2+]Cc1ccccc1NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000415914464 559282290 /nfs/dbraw/zinc/28/22/90/559282290.db2.gz WLWDPDIYJQRTFO-UHFFFAOYSA-N 1 3 357.458 2.063 20 0 FEADHO COCCN1CC[C@@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415972002 559286262 /nfs/dbraw/zinc/28/62/62/559286262.db2.gz OHAOTTRJDUIUBL-CYBMUJFWSA-N 1 3 360.380 2.006 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)C(F)(F)F ZINC000416004600 559288626 /nfs/dbraw/zinc/28/86/26/559288626.db2.gz ISJPHSYYGBYJCF-HUUCEWRRSA-N 1 3 358.408 2.230 20 0 FEADHO C[C@@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000416184692 559296938 /nfs/dbraw/zinc/29/69/38/559296938.db2.gz PWMSHTXEXOPILR-HLAWJBBLSA-N 1 3 372.557 2.164 20 0 FEADHO CN(C)CCOc1cnccc1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416234935 559300272 /nfs/dbraw/zinc/30/02/72/559300272.db2.gz QQZAVFLUYZVGBW-IBGZPJMESA-N 1 3 370.497 2.331 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000416843523 559334868 /nfs/dbraw/zinc/33/48/68/559334868.db2.gz OUFTVHLWEWBTES-WOJBJXKFSA-N 1 3 358.530 2.333 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1cccc(OC)c1 ZINC000416905902 559337478 /nfs/dbraw/zinc/33/74/78/559337478.db2.gz GRDGPCDZNPHJFN-FPOVZHCZSA-N 1 3 374.529 2.473 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)c1cccc(OC)c1 ZINC000416930549 559339018 /nfs/dbraw/zinc/33/90/18/559339018.db2.gz YOTKJHYSDSLWBF-IEBWSBKVSA-N 1 3 362.518 2.472 20 0 FEADHO C[C@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000416970313 559340900 /nfs/dbraw/zinc/34/09/00/559340900.db2.gz DWQZHOYAFWKWCW-HKUYNNGSSA-N 1 3 358.530 2.320 20 0 FEADHO CCN(CC)[C@H](CNC(=O)NC[C@@]1(COC)CCC[NH2+]1)c1ccsc1 ZINC000416998644 559342984 /nfs/dbraw/zinc/34/29/84/559342984.db2.gz BFVYYHBTRFQOPW-SJLPKXTDSA-N 1 3 368.547 2.199 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000417000666 559343243 /nfs/dbraw/zinc/34/32/43/559343243.db2.gz YXZNVJHRIRAKHL-DLBZAZTESA-N 1 3 362.518 2.299 20 0 FEADHO CC[C@@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000417008353 559343538 /nfs/dbraw/zinc/34/35/38/559343538.db2.gz IMRNXZJHVLGJFW-FPOVZHCZSA-N 1 3 356.514 2.218 20 0 FEADHO CC(C)(CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000417090544 559347446 /nfs/dbraw/zinc/34/74/46/559347446.db2.gz WYFSWNFJLMHBRI-MOPGFXCFSA-N 1 3 356.514 2.359 20 0 FEADHO [NH3+]CCCOC1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000417114241 559348343 /nfs/dbraw/zinc/34/83/43/559348343.db2.gz NTODCYYFQQIAEO-LJQANCHMSA-N 1 3 374.529 2.190 20 0 FEADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCCNCc1cccnc1 ZINC000417256207 559355058 /nfs/dbraw/zinc/35/50/58/559355058.db2.gz RPQUTDGLSOXLGT-KZNAEPCWSA-N 1 3 361.534 2.227 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)NCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000417326843 559357833 /nfs/dbraw/zinc/35/78/33/559357833.db2.gz GNNGWMJYJRGTRM-LJQANCHMSA-N 1 3 374.529 2.349 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)NC[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000417332826 559358071 /nfs/dbraw/zinc/35/80/71/559358071.db2.gz OXRTYHRUHBSPKZ-IBGZPJMESA-N 1 3 362.518 2.190 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000417338928 559358281 /nfs/dbraw/zinc/35/82/81/559358281.db2.gz ZPRYCZDZTBJBDX-APWZRJJASA-N 1 3 374.529 2.286 20 0 FEADHO CCCN(C(=O)NCc1ccccc1OCCN(C)C)C1CC[NH2+]CC1 ZINC000417362982 559359262 /nfs/dbraw/zinc/35/92/62/559359262.db2.gz LOYYHLQETQCEAJ-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417368975 559359601 /nfs/dbraw/zinc/35/96/01/559359601.db2.gz ROVFGJLRZVQAPM-JWTNVVGKSA-N 1 3 360.502 2.051 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417374959 559359765 /nfs/dbraw/zinc/35/97/65/559359765.db2.gz ZTJGVAYTTSMEGE-IEBWSBKVSA-N 1 3 374.529 2.158 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)c1ccccc1 ZINC000417492202 559364287 /nfs/dbraw/zinc/36/42/87/559364287.db2.gz LNXLWPKDYJBQPN-LMMKCTJWSA-N 1 3 362.518 2.088 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)c1ccccc1 ZINC000417492202 559364288 /nfs/dbraw/zinc/36/42/88/559364288.db2.gz LNXLWPKDYJBQPN-LMMKCTJWSA-N 1 3 362.518 2.088 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000417497828 559364733 /nfs/dbraw/zinc/36/47/33/559364733.db2.gz BRICKHHXDIPEQO-WOJBJXKFSA-N 1 3 374.529 2.232 20 0 FEADHO [NH3+]CC1CCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)CC1 ZINC000417591345 559368400 /nfs/dbraw/zinc/36/84/00/559368400.db2.gz IGSFFSQZHZZVSM-UHFFFAOYSA-N 1 3 360.502 2.042 20 0 FEADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417594833 559368643 /nfs/dbraw/zinc/36/86/43/559368643.db2.gz NBPSMDQFBCHZPK-ZWKOTPCHSA-N 1 3 360.502 2.088 20 0 FEADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417596996 559368787 /nfs/dbraw/zinc/36/87/87/559368787.db2.gz RSPVDSGKKSXPOS-SJLPKXTDSA-N 1 3 360.502 2.040 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417604574 559369093 /nfs/dbraw/zinc/36/90/93/559369093.db2.gz CCOTVWJHOSHYEE-KRWDZBQOSA-N 1 3 366.575 2.274 20 0 FEADHO C[C@H]1NCCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)[C@@H]1C ZINC000417624255 559369383 /nfs/dbraw/zinc/36/93/83/559369383.db2.gz JWGPIKSUCMVPDR-HZPDHXFCSA-N 1 3 354.564 2.130 20 0 FEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417644376 559370016 /nfs/dbraw/zinc/37/00/16/559370016.db2.gz AKFKHWJQPLBHPV-TZIWHRDSSA-N 1 3 356.514 2.436 20 0 FEADHO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OCCN(C)C)c(OC)c2)C1 ZINC000417658827 559370977 /nfs/dbraw/zinc/37/09/77/559370977.db2.gz XXKVWKRPOMRLAB-OAHLLOKOSA-N 1 3 364.490 2.099 20 0 FEADHO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(OCCN(C)C)c(OC)c2)C1 ZINC000417658827 559370978 /nfs/dbraw/zinc/37/09/78/559370978.db2.gz XXKVWKRPOMRLAB-OAHLLOKOSA-N 1 3 364.490 2.099 20 0 FEADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000417679078 559371934 /nfs/dbraw/zinc/37/19/34/559371934.db2.gz GYLZZDLUZACTME-LPHOPBHVSA-N 1 3 358.530 2.450 20 0 FEADHO C[NH2+][C@H]1CCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000417688399 559372547 /nfs/dbraw/zinc/37/25/47/559372547.db2.gz RVVULJHVYNYYGX-RBUKOAKNSA-N 1 3 358.530 2.463 20 0 FEADHO C[NH2+][C@H]1CCN(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000417823877 559377739 /nfs/dbraw/zinc/37/77/39/559377739.db2.gz LDDBQRROKKMJIM-IBGZPJMESA-N 1 3 374.529 2.061 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCN1Cc1ccccc1 ZINC000417844171 559378939 /nfs/dbraw/zinc/37/89/39/559378939.db2.gz RCIJYLZORXPYFN-MDNKFWRPSA-N 1 3 356.514 2.433 20 0 FEADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC[C@H]2CNCCO2)c1 ZINC000417881937 559380532 /nfs/dbraw/zinc/38/05/32/559380532.db2.gz RKTIUVVFMPBWSG-LJQANCHMSA-N 1 3 362.518 2.096 20 0 FEADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC[C@H]2CNCCO2)c1 ZINC000417881937 559380533 /nfs/dbraw/zinc/38/05/33/559380533.db2.gz RKTIUVVFMPBWSG-LJQANCHMSA-N 1 3 362.518 2.096 20 0 FEADHO O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCC[C@H]1CC[NH2+]C1 ZINC000417989718 559385561 /nfs/dbraw/zinc/38/55/61/559385561.db2.gz QOFSLKVTMVOPQF-LJQANCHMSA-N 1 3 374.529 2.003 20 0 FEADHO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000418007446 559386362 /nfs/dbraw/zinc/38/63/62/559386362.db2.gz QZXMKOHFVAOSQC-ARFHVFGLSA-N 1 3 365.547 2.055 20 0 FEADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418069743 559388932 /nfs/dbraw/zinc/38/89/32/559388932.db2.gz FURSVKXFNLOMRI-PKOBYXMFSA-N 1 3 362.518 2.094 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CC1 ZINC000418149092 559391924 /nfs/dbraw/zinc/39/19/24/559391924.db2.gz RQICXDWBRBMNDG-SLFFLAALSA-N 1 3 356.514 2.290 20 0 FEADHO CC[C@H](C)N[C@@H](CNC(=O)NCC1(COC)CC[NH2+]CC1)c1ccco1 ZINC000418165786 559392652 /nfs/dbraw/zinc/39/26/52/559392652.db2.gz JWKSYSUMARFCSI-HOTGVXAUSA-N 1 3 366.506 2.024 20 0 FEADHO CO[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)[C@H](C[NH3+])C1 ZINC000418190935 559393514 /nfs/dbraw/zinc/39/35/14/559393514.db2.gz WSXQJMWCINMMBD-SFNKJDCFSA-N 1 3 362.518 2.134 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N(C)C2CC[NH2+]CC2)N(C)C)cc1 ZINC000418207198 559393909 /nfs/dbraw/zinc/39/39/09/559393909.db2.gz PCUGQURPIQMHPT-LJQANCHMSA-N 1 3 362.518 2.470 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NCC[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418227543 559394637 /nfs/dbraw/zinc/39/46/37/559394637.db2.gz CSPTUNCEYGZZSW-PBHICJAKSA-N 1 3 350.532 2.310 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000418229487 559394727 /nfs/dbraw/zinc/39/47/27/559394727.db2.gz HDSIIKZBDZSIFX-KMFMINBZSA-N 1 3 350.532 2.438 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)N(C)C)cc1 ZINC000418231363 559394920 /nfs/dbraw/zinc/39/49/20/559394920.db2.gz LEEZCPXUTWWONS-KEYYUXOJSA-N 1 3 350.532 2.403 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@@H](C)NC[C@@H]2C)[NH+](C)C)cc1 ZINC000418231363 559394921 /nfs/dbraw/zinc/39/49/21/559394921.db2.gz LEEZCPXUTWWONS-KEYYUXOJSA-N 1 3 350.532 2.403 20 0 FEADHO CO[C@H]1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)[C@H](C[NH3+])C1 ZINC000418241581 559395252 /nfs/dbraw/zinc/39/52/52/559395252.db2.gz KGVPVHMDSSTIEJ-OALUTQOASA-N 1 3 374.529 2.189 20 0 FEADHO O=C(NC[C@@H]1CCC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000418325937 559397519 /nfs/dbraw/zinc/39/75/19/559397519.db2.gz XGALBGBXOIHHHQ-HSALFYBXSA-N 1 3 356.514 2.150 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418344293 559398431 /nfs/dbraw/zinc/39/84/31/559398431.db2.gz KKEBTZOUQMAKCB-UYAOXDASSA-N 1 3 373.545 2.467 20 0 FEADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000418658102 559409971 /nfs/dbraw/zinc/40/99/71/559409971.db2.gz VJVUFFUURJORNB-JXFKEZNVSA-N 1 3 374.529 2.144 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418670747 559410660 /nfs/dbraw/zinc/41/06/60/559410660.db2.gz KSRFZDRTRIXFJF-YLJYHZDGSA-N 1 3 374.529 2.361 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418781375 559415745 /nfs/dbraw/zinc/41/57/45/559415745.db2.gz ZFUHCFJMSUOLTA-QGZVFWFLSA-N 1 3 350.482 2.431 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418789302 559416177 /nfs/dbraw/zinc/41/61/77/559416177.db2.gz KUNYEHZUWKNHFU-BRWVUGGUSA-N 1 3 350.532 2.209 20 0 FEADHO Cc1cccc(NC(=O)CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c1C ZINC000420300799 559479202 /nfs/dbraw/zinc/47/92/02/559479202.db2.gz KQAINBFTDCKZND-LJQANCHMSA-N 1 3 358.530 2.249 20 0 FEADHO CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420343354 559482150 /nfs/dbraw/zinc/48/21/50/559482150.db2.gz QSOVJAAFIHVDFE-XIRDDKMYSA-N 1 3 358.486 2.294 20 0 FEADHO COc1ccc2c(c1)CCCN2C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346790 559482299 /nfs/dbraw/zinc/48/22/99/559482299.db2.gz ZBFATKOXSSBDTM-ROUUACIJSA-N 1 3 357.498 2.296 20 0 FEADHO COc1ccc([C@H](C[NH3+])CN2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000420366220 559483210 /nfs/dbraw/zinc/48/32/10/559483210.db2.gz FUYACFUYRSHQNZ-HLIPFELVSA-N 1 3 357.498 2.213 20 0 FEADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000420366220 559483211 /nfs/dbraw/zinc/48/32/11/559483211.db2.gz FUYACFUYRSHQNZ-HLIPFELVSA-N 1 3 357.498 2.213 20 0 FEADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000420366220 559483212 /nfs/dbraw/zinc/48/32/12/559483212.db2.gz FUYACFUYRSHQNZ-HLIPFELVSA-N 1 3 357.498 2.213 20 0 FEADHO NCc1cn([C@H]2CCC[N@H+](CCOc3ccc(Cl)c(F)c3)C2)nn1 ZINC000420375298 559483880 /nfs/dbraw/zinc/48/38/80/559483880.db2.gz ITTHTXBWVQWNGT-ZDUSSCGKSA-N 1 3 353.829 2.245 20 0 FEADHO NCc1cn([C@H]2CCC[N@@H+](CCOc3ccc(Cl)c(F)c3)C2)nn1 ZINC000420375298 559483881 /nfs/dbraw/zinc/48/38/81/559483881.db2.gz ITTHTXBWVQWNGT-ZDUSSCGKSA-N 1 3 353.829 2.245 20 0 FEADHO Cc1ccc(CN2CCCN(C(=O)CN[C@H]3[C@@H](C)[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000420380119 559484067 /nfs/dbraw/zinc/48/40/67/559484067.db2.gz YCKJIBXUTFQJPS-NNMXDRDESA-N 1 3 372.557 2.005 20 0 FEADHO NCc1cn([C@H]2CCC[N@H+](CCOc3ccccc3C(F)(F)F)C2)nn1 ZINC000420385271 559484468 /nfs/dbraw/zinc/48/44/68/559484468.db2.gz SQIVUDGHVFSMIK-AWEZNQCLSA-N 1 3 369.391 2.472 20 0 FEADHO NCc1cn([C@H]2CCC[N@@H+](CCOc3ccccc3C(F)(F)F)C2)nn1 ZINC000420385271 559484469 /nfs/dbraw/zinc/48/44/69/559484469.db2.gz SQIVUDGHVFSMIK-AWEZNQCLSA-N 1 3 369.391 2.472 20 0 FEADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420973416 559515834 /nfs/dbraw/zinc/51/58/34/559515834.db2.gz CIYMLDUBBLIGFE-ROUUACIJSA-N 1 3 352.567 2.172 20 0 FEADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420973416 559515835 /nfs/dbraw/zinc/51/58/35/559515835.db2.gz CIYMLDUBBLIGFE-ROUUACIJSA-N 1 3 352.567 2.172 20 0 FEADHO C[C@@H]1CCCN(S(=O)(=O)c2ccc(CN[C@@H]3CCC[C@@H]3C[NH3+])cc2)C1 ZINC000422697710 559603328 /nfs/dbraw/zinc/60/33/28/559603328.db2.gz VTYIDZDGYWZUGE-SZVBFZGTSA-N 1 3 365.543 2.324 20 0 FEADHO CCN1CCN(C[C@H](C)CN[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422711515 559603936 /nfs/dbraw/zinc/60/39/36/559603936.db2.gz HBMUIGULEXEBBF-BVYCBKJFSA-N 1 3 374.573 2.352 20 0 FEADHO CCC[C@H](N[C@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1nnc2ccccn21 ZINC000422739432 559605019 /nfs/dbraw/zinc/60/50/19/559605019.db2.gz LGKWOQYZPUNZOW-CVEARBPZSA-N 1 3 373.501 2.482 20 0 FEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000422772123 559606217 /nfs/dbraw/zinc/60/62/17/559606217.db2.gz YSYMQBODFMQENL-AQNXPRMDSA-N 1 3 359.562 2.493 20 0 FEADHO CC(C)[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCOCC1 ZINC000422806508 559607113 /nfs/dbraw/zinc/60/71/13/559607113.db2.gz NLENOVVDSXXIKL-IRFCIJBXSA-N 1 3 359.514 2.189 20 0 FEADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)C[C@@H]3COCCN3)CC2)c1 ZINC000422808637 559607168 /nfs/dbraw/zinc/60/71/68/559607168.db2.gz LHAZRBGIFZCNSZ-LEWJYISDSA-N 1 3 374.573 2.254 20 0 FEADHO CC(C)(C)NC(=O)CN1CCC(C[NH2+][C@@H]2C[C@H](N)c3ccccc32)CC1 ZINC000422841095 559608133 /nfs/dbraw/zinc/60/81/33/559608133.db2.gz VEVSUFKVJXXONI-RBUKOAKNSA-N 1 3 358.530 2.348 20 0 FEADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cnccc1N ZINC000422891265 559610043 /nfs/dbraw/zinc/61/00/43/559610043.db2.gz UZEFGASTKDWIEM-YJBOKZPZSA-N 1 3 367.497 2.042 20 0 FEADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cnccc1N ZINC000422891265 559610044 /nfs/dbraw/zinc/61/00/44/559610044.db2.gz UZEFGASTKDWIEM-YJBOKZPZSA-N 1 3 367.497 2.042 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422902284 559610618 /nfs/dbraw/zinc/61/06/18/559610618.db2.gz MQEUWODXAAEBBI-ZWKOTPCHSA-N 1 3 353.532 2.122 20 0 FEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422918992 559611362 /nfs/dbraw/zinc/61/13/62/559611362.db2.gz JJBFHWKHACRYTN-NDMJEZRESA-N 1 3 367.799 2.475 20 0 FEADHO CCOC(=O)C1([C@H](C)NC2(c3ccc4c(c3)OCO4)CC2)CC[NH2+]CC1 ZINC000423024258 559615533 /nfs/dbraw/zinc/61/55/33/559615533.db2.gz IZEAQWMDJNZWAY-AWEZNQCLSA-N 1 3 360.454 2.315 20 0 FEADHO FC(F)(F)COc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000423055062 559616728 /nfs/dbraw/zinc/61/67/28/559616728.db2.gz VPSOGHLSXZRSHC-ARFHVFGLSA-N 1 3 373.419 2.312 20 0 FEADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOc1ccc(I)cc1 ZINC000423107256 559619369 /nfs/dbraw/zinc/61/93/69/559619369.db2.gz DZPACVAJIPFKAN-RISCZKNCSA-N 1 3 360.239 2.387 20 0 FEADHO C[C@@H](NCc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000423184837 559622204 /nfs/dbraw/zinc/62/22/04/559622204.db2.gz NLNBQPXOYQMBBB-OXQOHEQNSA-N 1 3 358.530 2.004 20 0 FEADHO FC(F)(F)CCN1CCC(Nc2ccc(N3CC[NH2+]CC3)cn2)CC1 ZINC000423233125 559623266 /nfs/dbraw/zinc/62/32/66/559623266.db2.gz OBHNNWAOAKKLBJ-UHFFFAOYSA-N 1 3 357.424 2.320 20 0 FEADHO C[NH2+]CCc1ccccc1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000423332405 559625902 /nfs/dbraw/zinc/62/59/02/559625902.db2.gz NHPPDYYIGOCQOH-UHFFFAOYSA-N 1 3 355.482 2.319 20 0 FEADHO COc1ccc2c(c1)[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423377137 559627246 /nfs/dbraw/zinc/62/72/46/559627246.db2.gz DZCOSYZESBUFKV-IAGOWNOFSA-N 1 3 357.420 2.498 20 0 FEADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)OCCCO2 ZINC000423388882 559627448 /nfs/dbraw/zinc/62/74/48/559627448.db2.gz NBEOCWMBVWBACC-GUYCJALGSA-N 1 3 373.419 2.335 20 0 FEADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)OCCCO2 ZINC000423388880 559627456 /nfs/dbraw/zinc/62/74/56/559627456.db2.gz NBEOCWMBVWBACC-CXAGYDPISA-N 1 3 373.419 2.335 20 0 FEADHO C[NH2+]CCc1ccccc1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000423422565 559628757 /nfs/dbraw/zinc/62/87/57/559628757.db2.gz LILIGVRRFVBYPJ-UHFFFAOYSA-N 1 3 351.494 2.278 20 0 FEADHO N[C@H](CC1CCCCC1)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000423428296 559628827 /nfs/dbraw/zinc/62/88/27/559628827.db2.gz OIPLIMHLOSILPY-GOSISDBHSA-N 1 3 351.535 2.435 20 0 FEADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000423447674 559629340 /nfs/dbraw/zinc/62/93/40/559629340.db2.gz DJSGLYIHPVQFQE-ZLXGRDSLSA-N 1 3 362.493 2.189 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000423793807 559639599 /nfs/dbraw/zinc/63/95/99/559639599.db2.gz JHIBEBIVYDBCPC-ICSRJNTNSA-N 1 3 352.482 2.104 20 0 FEADHO O=C(C[C@H]1CCC[NH2+]CC1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000423848722 559642671 /nfs/dbraw/zinc/64/26/71/559642671.db2.gz NRUKABSEIDCONG-ICSRJNTNSA-N 1 3 359.514 2.174 20 0 FEADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)N1CCCCC1 ZINC000424010538 559650839 /nfs/dbraw/zinc/65/08/39/559650839.db2.gz LGSKUFJWKFOWLC-CEXWTWQISA-N 1 3 351.535 2.242 20 0 FEADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CC(CC(=O)OC)C2)CC1 ZINC000424273330 559660512 /nfs/dbraw/zinc/66/05/12/559660512.db2.gz WPUHRDILZNBVNH-UHFFFAOYSA-N 1 3 359.514 2.255 20 0 FEADHO Cc1cccc(OCCCNC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424292924 559660776 /nfs/dbraw/zinc/66/07/76/559660776.db2.gz OVYSTGKTBLVGAF-GOSISDBHSA-N 1 3 359.514 2.344 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)cc2)CC1 ZINC000425061193 559685896 /nfs/dbraw/zinc/68/58/96/559685896.db2.gz XZUDKIMAAFJCKL-PZJWPPBQSA-N 1 3 370.541 2.383 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)cc2)CC1 ZINC000425061193 559685897 /nfs/dbraw/zinc/68/58/97/559685897.db2.gz XZUDKIMAAFJCKL-PZJWPPBQSA-N 1 3 370.541 2.383 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000425932925 559725545 /nfs/dbraw/zinc/72/55/45/559725545.db2.gz SHFZPFCTUSAZKB-WWDZGPRUSA-N 1 3 366.550 2.002 20 0 FEADHO CCN1CCC(NC(=O)CN(C)C(C)(C)C[NH+]2CCCCCC2)CC1 ZINC000426751998 559741414 /nfs/dbraw/zinc/74/14/14/559741414.db2.gz AEBGNOOQYAZIJT-UHFFFAOYSA-N 1 3 352.567 2.173 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)C[C@H]3CCC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000427299300 559752567 /nfs/dbraw/zinc/75/25/67/559752567.db2.gz LNWCVCCSENWSRZ-KSZLIROESA-N 1 3 351.535 2.114 20 0 FEADHO CN(CCN1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000427320588 559753234 /nfs/dbraw/zinc/75/32/34/559753234.db2.gz MHHOECNPCMVFEM-FQEVSTJZSA-N 1 3 372.557 2.042 20 0 FEADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430572323 559823141 /nfs/dbraw/zinc/82/31/41/559823141.db2.gz FPEGJVTYIYXEOQ-NSHGMRRFSA-N 1 3 372.557 2.215 20 0 FEADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)CC(C)(C)C[NH3+] ZINC000430582582 559823504 /nfs/dbraw/zinc/82/35/04/559823504.db2.gz KJQWKOMUIGBKHY-KRWDZBQOSA-N 1 3 360.546 2.072 20 0 FEADHO COCC[C@]1(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000430743923 559827504 /nfs/dbraw/zinc/82/75/04/559827504.db2.gz SOUYDTYINRUNJG-OAQYLSRUSA-N 1 3 359.514 2.126 20 0 FEADHO COCC[C@@]1(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000430743921 559827566 /nfs/dbraw/zinc/82/75/66/559827566.db2.gz SOUYDTYINRUNJG-NRFANRHFSA-N 1 3 359.514 2.126 20 0 FEADHO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000430953846 559831241 /nfs/dbraw/zinc/83/12/41/559831241.db2.gz CWEVJBSLSPXWDA-QLFBSQMISA-N 1 3 363.502 2.329 20 0 FEADHO CCN1CCN(c2ccccc2CNCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000432349209 559857218 /nfs/dbraw/zinc/85/72/18/559857218.db2.gz WNWFELCDQJLMGL-FQEVSTJZSA-N 1 3 374.573 2.419 20 0 FEADHO CCN1CCN(c2ccccc2CNCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000432349209 559857219 /nfs/dbraw/zinc/85/72/19/559857219.db2.gz WNWFELCDQJLMGL-FQEVSTJZSA-N 1 3 374.573 2.419 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NCc2ccc(C[NH+](C)C)cc2)CCCO1 ZINC000433287490 559875792 /nfs/dbraw/zinc/87/57/92/559875792.db2.gz LMGXWDPADISPMG-QGZVFWFLSA-N 1 3 362.518 2.048 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NCCC[NH2+]C2CCCCC2)CCCO1 ZINC000433464407 559882334 /nfs/dbraw/zinc/88/23/34/559882334.db2.gz WODFTQWRIJDXJW-KRWDZBQOSA-N 1 3 354.539 2.099 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N(C3CC3)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000435234753 559918424 /nfs/dbraw/zinc/91/84/24/559918424.db2.gz ALTKPGLNHYYQIH-FQEVSTJZSA-N 1 3 356.514 2.184 20 0 FEADHO CC1(C)Cc2cc(CN3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)ccc2O1 ZINC000435380390 559921765 /nfs/dbraw/zinc/92/17/65/559921765.db2.gz QXAAZHBUNYNMBP-HKUYNNGSSA-N 1 3 371.525 2.480 20 0 FEADHO CCNC(=O)COc1ccc(CN2CCC(C[NH2+]CC)CC2)cc1OC ZINC000435380821 559921825 /nfs/dbraw/zinc/92/18/25/559921825.db2.gz TWMFHRLKGMARSY-UHFFFAOYSA-N 1 3 363.502 2.032 20 0 FEADHO COCCN(C)CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437799214 559969884 /nfs/dbraw/zinc/96/98/84/559969884.db2.gz VXYGVWRVDHYRRZ-SFHVURJKSA-N 1 3 354.539 2.051 20 0 FEADHO COCCN(C)CCCNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437799214 559969885 /nfs/dbraw/zinc/96/98/85/559969885.db2.gz VXYGVWRVDHYRRZ-SFHVURJKSA-N 1 3 354.539 2.051 20 0 FEADHO COc1cc(NC(=O)CCN2C[C@H](C[NH3+])C[C@@H]2C)c(OC)cc1Cl ZINC000442763616 560056674 /nfs/dbraw/zinc/05/66/74/560056674.db2.gz BCLYBCFKHWBEQC-RYUDHWBXSA-N 1 3 355.866 2.355 20 0 FEADHO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443057642 560068363 /nfs/dbraw/zinc/06/83/63/560068363.db2.gz HMSVCCSSRQGZBD-JKSUJKDBSA-N 1 3 358.486 2.201 20 0 FEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000443063552 560068721 /nfs/dbraw/zinc/06/87/21/560068721.db2.gz WUXVZIOQBPXMBG-WMZOPIPTSA-N 1 3 373.497 2.182 20 0 FEADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000443079615 560069624 /nfs/dbraw/zinc/06/96/24/560069624.db2.gz ZRGFJJWMQPPYGR-HRCADAONSA-N 1 3 361.486 2.084 20 0 FEADHO C[C@@H]1CN(CCOC2CCN(CCC[NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000444606585 560116592 /nfs/dbraw/zinc/11/65/92/560116592.db2.gz GMCNYGAFJWXHLR-BGYRXZFFSA-N 1 3 367.578 2.453 20 0 FEADHO C[C@@H]1CN(CCOC2CC[NH+](CCCN3CCCCC3)CC2)C[C@H](C)O1 ZINC000444606585 560116593 /nfs/dbraw/zinc/11/65/93/560116593.db2.gz GMCNYGAFJWXHLR-BGYRXZFFSA-N 1 3 367.578 2.453 20 0 FEADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446180157 560141199 /nfs/dbraw/zinc/14/11/99/560141199.db2.gz SYYGAJJWEPQIHQ-QGZVFWFLSA-N 1 3 374.529 2.110 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446271533 560143302 /nfs/dbraw/zinc/14/33/02/560143302.db2.gz LESJHVQEBLNMTH-LVCYWYKZSA-N 1 3 365.562 2.489 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446271533 560143303 /nfs/dbraw/zinc/14/33/03/560143303.db2.gz LESJHVQEBLNMTH-LVCYWYKZSA-N 1 3 365.562 2.489 20 0 FEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000448253485 560181587 /nfs/dbraw/zinc/18/15/87/560181587.db2.gz AXILEAOEVWIODP-GOSISDBHSA-N 1 3 368.566 2.249 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cnn(-c3ccc(OC)cc3)c2)CC1 ZINC000449130688 560217214 /nfs/dbraw/zinc/21/72/14/560217214.db2.gz HHNSYKNSZCKGPI-GOSISDBHSA-N 1 3 371.529 2.244 20 0 FEADHO COc1cc2ccccc2cc1C[NH2+]CCCCN1CCN(CCO)CC1 ZINC000449151501 560218123 /nfs/dbraw/zinc/21/81/23/560218123.db2.gz XTUONGAVPUBHTB-UHFFFAOYSA-N 1 3 371.525 2.328 20 0 FEADHO CN(C)[C@@H](CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)Cc1ccccc1 ZINC000449311861 560224789 /nfs/dbraw/zinc/22/47/89/560224789.db2.gz NZGTWNCLECDHKL-IFMALSPDSA-N 1 3 351.494 2.207 20 0 FEADHO C[C@H](c1ccccc1)[C@@H](O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000450628154 560268433 /nfs/dbraw/zinc/26/84/33/560268433.db2.gz VRKOCJJDISVQBC-LAJURYSTSA-N 1 3 357.542 2.394 20 0 FEADHO C[C@H](c1ccccc1)[C@@H](O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000450628154 560268434 /nfs/dbraw/zinc/26/84/34/560268434.db2.gz VRKOCJJDISVQBC-LAJURYSTSA-N 1 3 357.542 2.394 20 0 FEADHO CO[C@@H]1CCC[C@H]1NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000451622150 560317736 /nfs/dbraw/zinc/31/77/36/560317736.db2.gz CGLHUTRTQRRWIT-WOJBJXKFSA-N 1 3 359.514 2.233 20 0 FEADHO CC1(C(=O)NC[C@H]2CCCCN2CCO)CC[NH+](Cc2ccccc2)CC1 ZINC000452370871 560361077 /nfs/dbraw/zinc/36/10/77/560361077.db2.gz GWMBYBGLMNGVND-HXUWFJFHSA-N 1 3 373.541 2.252 20 0 FEADHO O=C(NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)c1ccn[nH]1 ZINC000453202658 560384376 /nfs/dbraw/zinc/38/43/76/560384376.db2.gz YVDDCXUHAFRZQT-NLWGTHIKSA-N 1 3 367.497 2.172 20 0 FEADHO O=C(NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)c1ccn[nH]1 ZINC000453202658 560384377 /nfs/dbraw/zinc/38/43/77/560384377.db2.gz YVDDCXUHAFRZQT-NLWGTHIKSA-N 1 3 367.497 2.172 20 0 FEADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455854693 560497648 /nfs/dbraw/zinc/49/76/48/560497648.db2.gz NLDGVEMUHFNYKW-OXJNMPFZSA-N 1 3 373.545 2.383 20 0 FEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000457105450 560549013 /nfs/dbraw/zinc/54/90/13/560549013.db2.gz CKKCWUMKRRCMMB-HXUWFJFHSA-N 1 3 358.530 2.140 20 0 FEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000457105450 560549015 /nfs/dbraw/zinc/54/90/15/560549015.db2.gz CKKCWUMKRRCMMB-HXUWFJFHSA-N 1 3 358.530 2.140 20 0 FEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000457662577 560580630 /nfs/dbraw/zinc/58/06/30/560580630.db2.gz ZGKOIPORFCPPFN-SFHVURJKSA-N 1 3 362.518 2.251 20 0 FEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000457662577 560580631 /nfs/dbraw/zinc/58/06/31/560580631.db2.gz ZGKOIPORFCPPFN-SFHVURJKSA-N 1 3 362.518 2.251 20 0 FEADHO CN(Cc1ccccc1)C1(CNC(=O)NCCNc2cc[nH+]cc2)CCC1 ZINC000458985374 560660599 /nfs/dbraw/zinc/66/05/99/560660599.db2.gz XKHKYYMMPJZCEI-UHFFFAOYSA-N 1 3 367.497 2.269 20 0 FEADHO CCNS(=O)(=O)c1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459652711 560700321 /nfs/dbraw/zinc/70/03/21/560700321.db2.gz WQCNFJSUZOUCPL-UHFFFAOYSA-N 1 3 374.510 2.138 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000462015434 560792703 /nfs/dbraw/zinc/79/27/03/560792703.db2.gz JRYBXYAWIBDZKC-LJQANCHMSA-N 1 3 370.541 2.332 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000462015434 560792705 /nfs/dbraw/zinc/79/27/05/560792705.db2.gz JRYBXYAWIBDZKC-LJQANCHMSA-N 1 3 370.541 2.332 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000465541703 560867728 /nfs/dbraw/zinc/86/77/28/560867728.db2.gz JLTWRTDBTAWRMP-RTWAWAEBSA-N 1 3 368.525 2.479 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000465541703 560867729 /nfs/dbraw/zinc/86/77/29/560867729.db2.gz JLTWRTDBTAWRMP-RTWAWAEBSA-N 1 3 368.525 2.479 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000465893292 560875196 /nfs/dbraw/zinc/87/51/96/560875196.db2.gz DWAWCPIJWPSCIG-HOJAQTOUSA-N 1 3 358.530 2.333 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000465893292 560875197 /nfs/dbraw/zinc/87/51/97/560875197.db2.gz DWAWCPIJWPSCIG-HOJAQTOUSA-N 1 3 358.530 2.333 20 0 FEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000465897330 560875516 /nfs/dbraw/zinc/87/55/16/560875516.db2.gz CWVDFNPSLWSPTF-KZNAEPCWSA-N 1 3 354.539 2.002 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000466010613 560877988 /nfs/dbraw/zinc/87/79/88/560877988.db2.gz MSNZKZAYBUCSFV-LJQANCHMSA-N 1 3 358.530 2.211 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccccc2F)CC[N@@H+]1C ZINC000466034039 560878698 /nfs/dbraw/zinc/87/86/98/560878698.db2.gz DSYJFYORYJYVFF-WBVHZDCISA-N 1 3 350.482 2.382 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccccc2F)CC[N@H+]1C ZINC000466034039 560878699 /nfs/dbraw/zinc/87/86/99/560878699.db2.gz DSYJFYORYJYVFF-WBVHZDCISA-N 1 3 350.482 2.382 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000466791741 560895794 /nfs/dbraw/zinc/89/57/94/560895794.db2.gz RTVMLVOINUKUGS-LPHOPBHVSA-N 1 3 366.550 2.002 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(CC[NH3+])Cc3ccccc3)cc2)CC1 ZINC000467714797 560915625 /nfs/dbraw/zinc/91/56/25/560915625.db2.gz RJCCZNDAZNUHPN-UHFFFAOYSA-N 1 3 366.509 2.430 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cn3c(n2)SCC3)[C@@H](C)C1 ZINC000468046685 560921570 /nfs/dbraw/zinc/92/15/70/560921570.db2.gz FAUQYMSZTQEBRG-RDJZCZTQSA-N 1 3 352.548 2.258 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NCCc2cn3c(n2)SCC3)[C@@H](C)C1 ZINC000468046685 560921571 /nfs/dbraw/zinc/92/15/71/560921571.db2.gz FAUQYMSZTQEBRG-RDJZCZTQSA-N 1 3 352.548 2.258 20 0 FEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000468176625 560924133 /nfs/dbraw/zinc/92/41/33/560924133.db2.gz FATOGBOSYKMIOJ-FUHIMQAGSA-N 1 3 359.514 2.132 20 0 FEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000468176625 560924134 /nfs/dbraw/zinc/92/41/34/560924134.db2.gz FATOGBOSYKMIOJ-FUHIMQAGSA-N 1 3 359.514 2.132 20 0 FEADHO C[C@@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000468434709 560929860 /nfs/dbraw/zinc/92/98/60/560929860.db2.gz IKCIWNADSSHEQF-UXHICEINSA-N 1 3 372.557 2.435 20 0 FEADHO C[C@@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000468434709 560929861 /nfs/dbraw/zinc/92/98/61/560929861.db2.gz IKCIWNADSSHEQF-UXHICEINSA-N 1 3 372.557 2.435 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC(C[NH+](C)C)CC3)CC2)c1 ZINC000469499394 560956364 /nfs/dbraw/zinc/95/63/64/560956364.db2.gz JLVKOFWBFVKFRR-UHFFFAOYSA-N 1 3 372.557 2.307 20 0 FEADHO C[C@H](CN1CCC[C@H](C(=O)NCC[NH3+])C1)c1cccc(Br)c1 ZINC000470008839 560971963 /nfs/dbraw/zinc/97/19/63/560971963.db2.gz NGYIVIWOVKTPFD-HIFRSBDPSA-N 1 3 368.319 2.340 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)CC[N@@H+]2CCc3ccccc3C2)C[C@@H](C)O1 ZINC000471356264 561002715 /nfs/dbraw/zinc/00/27/15/561002715.db2.gz ZGWDZUWBNUZYKX-RTBURBONSA-N 1 3 373.541 2.440 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)CC[N@H+]2CCc3ccccc3C2)C[C@@H](C)O1 ZINC000471356264 561002716 /nfs/dbraw/zinc/00/27/16/561002716.db2.gz ZGWDZUWBNUZYKX-RTBURBONSA-N 1 3 373.541 2.440 20 0 FEADHO CN(C)CCOCCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000471632339 561009288 /nfs/dbraw/zinc/00/92/88/561009288.db2.gz BOAKXOWJZDQGRE-UHFFFAOYSA-N 1 3 362.518 2.415 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC000471975699 561015400 /nfs/dbraw/zinc/01/54/00/561015400.db2.gz COHOTKJRJOYWTD-RSPOEFSDSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC000471975699 561015401 /nfs/dbraw/zinc/01/54/01/561015401.db2.gz COHOTKJRJOYWTD-RSPOEFSDSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000472049666 561016861 /nfs/dbraw/zinc/01/68/61/561016861.db2.gz XLECUXLJXOWPBO-XFIJJGBISA-N 1 3 368.525 2.243 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000472049666 561016862 /nfs/dbraw/zinc/01/68/62/561016862.db2.gz XLECUXLJXOWPBO-XFIJJGBISA-N 1 3 368.525 2.243 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000472981549 561039369 /nfs/dbraw/zinc/03/93/69/561039369.db2.gz WXGSBJMCFIYJGP-ZWKOTPCHSA-N 1 3 354.539 2.003 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000475974218 561108649 /nfs/dbraw/zinc/10/86/49/561108649.db2.gz RVNOPENDMIUJSG-QZTJIDSGSA-N 1 3 368.566 2.295 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000475974218 561108650 /nfs/dbraw/zinc/10/86/50/561108650.db2.gz RVNOPENDMIUJSG-QZTJIDSGSA-N 1 3 368.566 2.295 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000528316414 562322318 /nfs/dbraw/zinc/32/23/18/562322318.db2.gz QHJQWIKQVBEKBG-QGZVFWFLSA-N 1 3 351.535 2.255 20 0 FEADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000528752091 562345767 /nfs/dbraw/zinc/34/57/67/562345767.db2.gz DMPXVWSRKWQTDT-WOYCLPQFSA-N 1 3 359.514 2.300 20 0 FEADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529329751 562369641 /nfs/dbraw/zinc/36/96/41/562369641.db2.gz KLRRKSRQYWYKFI-SFHVURJKSA-N 1 3 374.529 2.094 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529365995 562371299 /nfs/dbraw/zinc/37/12/99/562371299.db2.gz LCXBZPXSHBVCFU-RBUKOAKNSA-N 1 3 371.529 2.362 20 0 FEADHO CCO[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C12CCCCC2 ZINC000531424595 562445402 /nfs/dbraw/zinc/44/54/02/562445402.db2.gz MMNWGRMIAVEUSC-MSOLQXFVSA-N 1 3 368.566 2.249 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCN2CCO[C@H](C)C2)CC1 ZINC000531532227 562448864 /nfs/dbraw/zinc/44/88/64/562448864.db2.gz OVLDNISDKNXMDE-LJQANCHMSA-N 1 3 360.546 2.029 20 0 FEADHO C[C@@H](CCNCc1ccccc1N(C)C1CC[NH+](C)CC1)[S@](C)=O ZINC000532210561 562470696 /nfs/dbraw/zinc/47/06/96/562470696.db2.gz ZLTQFMFAFDRRJG-FYSMJZIKSA-N 1 3 351.560 2.464 20 0 FEADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1(O)CCN(C)CC1 ZINC000532235556 562471280 /nfs/dbraw/zinc/47/12/80/562471280.db2.gz YUWHRHWZPPJPDC-ZDUSSCGKSA-N 1 3 373.419 2.469 20 0 FEADHO Cc1c([C@@H](C)NCCCC[NH+]2CCN(C)CC2)nnn1-c1ccccc1 ZINC000532450250 562478531 /nfs/dbraw/zinc/47/85/31/562478531.db2.gz HOEYJAHVRXFCLN-QGZVFWFLSA-N 1 3 356.518 2.254 20 0 FEADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(N2CCOCC2)c1 ZINC000532450205 562478610 /nfs/dbraw/zinc/47/86/10/562478610.db2.gz WVACAYMGPNAAMZ-IBGZPJMESA-N 1 3 360.546 2.201 20 0 FEADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000533052836 562496933 /nfs/dbraw/zinc/49/69/33/562496933.db2.gz SFERRDMNHPENQV-QKLQHJQFSA-N 1 3 362.562 2.067 20 0 FEADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000533052836 562496934 /nfs/dbraw/zinc/49/69/34/562496934.db2.gz SFERRDMNHPENQV-QKLQHJQFSA-N 1 3 362.562 2.067 20 0 FEADHO C[C@@H]1[C@H](NC(=S)NCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000806608753 674383489 /nfs/dbraw/zinc/38/34/89/674383489.db2.gz JKEOWQZSDUNURV-VQIMIIECSA-N 1 3 360.571 2.455 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=S)NCC[NH+](C)C)N(C)C)cc1 ZINC000806598787 674382954 /nfs/dbraw/zinc/38/29/54/674382954.db2.gz MBQBOFYOJKXIEQ-KRWDZBQOSA-N 1 3 352.548 2.102 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]C2CCC(CS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000556064383 674386768 /nfs/dbraw/zinc/38/67/68/674386768.db2.gz YOJMIDXHYRNMSE-OQSMONGASA-N 1 3 360.564 2.069 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000669111229 567911010 /nfs/dbraw/zinc/91/10/10/567911010.db2.gz KPYJQBCTTAMTDW-PXNSSMCTSA-N 1 3 356.514 2.353 20 0 FEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000636729719 567984301 /nfs/dbraw/zinc/98/43/01/567984301.db2.gz CLNAAFKKMHWKQG-INIZCTEOSA-N 1 3 362.522 2.392 20 0 FEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000636729719 567984302 /nfs/dbraw/zinc/98/43/02/567984302.db2.gz CLNAAFKKMHWKQG-INIZCTEOSA-N 1 3 362.522 2.392 20 0 FEADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000563090637 568069892 /nfs/dbraw/zinc/06/98/92/568069892.db2.gz SLWRQOHKBLIPOU-WOJBJXKFSA-N 1 3 372.557 2.340 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NCc2ccc(C[NH3+])cc2)cc1 ZINC000563093320 568117618 /nfs/dbraw/zinc/11/76/18/568117618.db2.gz QGOKDZQOUNPVMJ-UHFFFAOYSA-N 1 3 356.470 2.085 20 0 FEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000563093383 568119796 /nfs/dbraw/zinc/11/97/96/568119796.db2.gz RGIGKTGPZPLZLK-HOTGVXAUSA-N 1 3 354.539 2.225 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000604191095 568223570 /nfs/dbraw/zinc/22/35/70/568223570.db2.gz FUHGECIENDGVNZ-MOPGFXCFSA-N 1 3 356.514 2.087 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000604191095 568223571 /nfs/dbraw/zinc/22/35/71/568223571.db2.gz FUHGECIENDGVNZ-MOPGFXCFSA-N 1 3 356.514 2.087 20 0 FEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000604195334 568224482 /nfs/dbraw/zinc/22/44/82/568224482.db2.gz YSHIHRMMXFGACD-SFHVURJKSA-N 1 3 368.566 2.393 20 0 FEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000604195334 568224483 /nfs/dbraw/zinc/22/44/83/568224483.db2.gz YSHIHRMMXFGACD-SFHVURJKSA-N 1 3 368.566 2.393 20 0 FEADHO C[NH+]1CCC(N2CC[C@H](NCc3ccncc3Br)C2)CC1 ZINC000631070077 676932086 /nfs/dbraw/zinc/93/20/86/676932086.db2.gz LUHOMENKKJIMJQ-AWEZNQCLSA-N 1 3 353.308 2.102 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@H](C)N2CCC(CC[NH3+])CC2)cc1F ZINC000563275963 674867600 /nfs/dbraw/zinc/86/76/00/674867600.db2.gz RLTUHLJXWLNWLT-AWEZNQCLSA-N 1 3 351.466 2.242 20 0 FEADHO S=C(N[C@@H]1CCN(C2CC2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000066010837 670436935 /nfs/dbraw/zinc/43/69/35/670436935.db2.gz JOLAUJMJPJKZML-GOSISDBHSA-N 1 3 358.555 2.352 20 0 FEADHO [NH3+]C[C@H]1CCC[C@H]1NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817917907 675186264 /nfs/dbraw/zinc/18/62/64/675186264.db2.gz VKGYYJALQJVCKZ-BXUZGUMPSA-N 1 3 366.405 2.076 20 0 FEADHO C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000579107615 671712713 /nfs/dbraw/zinc/71/27/13/671712713.db2.gz QEYKJPVDIFSVEU-CYBMUJFWSA-N 1 3 357.420 2.451 20 0 FEADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCOc1ccc(Cl)cc1 ZINC000583203719 672073855 /nfs/dbraw/zinc/07/38/55/672073855.db2.gz HIEKEZOILNWREO-JKSUJKDBSA-N 1 3 365.905 2.157 20 0 FEADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593315807 672908249 /nfs/dbraw/zinc/90/82/49/672908249.db2.gz LXLQRQWYKSMKIG-KDOFPFPSSA-N 1 3 350.507 2.401 20 0 FEADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000612990429 676105599 /nfs/dbraw/zinc/10/55/99/676105599.db2.gz QYDKQJMONPALOZ-HZPDHXFCSA-N 1 3 350.894 2.384 20 0 FEADHO CN1CCC(NC(=S)NCc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000728451278 673201607 /nfs/dbraw/zinc/20/16/07/673201607.db2.gz CBDVADJXTQCTFZ-UHFFFAOYSA-N 1 3 364.559 2.075 20 0 FEADHO C[C@H](NC[C@H]1CCCCS1(=O)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000543430270 673646706 /nfs/dbraw/zinc/64/67/06/673646706.db2.gz XKMJZGFTRMHRPX-MAUKXSAKSA-N 1 3 354.516 2.245 20 0 FEADHO CS[C@H]1CC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000743590424 673764578 /nfs/dbraw/zinc/76/45/78/673764578.db2.gz SHJVETHHAAICSL-WBVHZDCISA-N 1 3 354.564 2.128 20 0 FEADHO CCN1CCN(CCC[NH2+]Cc2cc(C(OC)OC)ccc2F)CC1 ZINC000818177979 675202576 /nfs/dbraw/zinc/20/25/76/675202576.db2.gz JEYSZYSPRODXFO-UHFFFAOYSA-N 1 3 353.482 2.234 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C(C)C)[C@@H]3CCOC3)CC2)CC1 ZINC000566453091 675215492 /nfs/dbraw/zinc/21/54/92/675215492.db2.gz TWYOEAFYBCUJTF-LJQANCHMSA-N 1 3 351.535 2.209 20 0 FEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000605404404 675812656 /nfs/dbraw/zinc/81/26/56/675812656.db2.gz HKZUJQZZQYNKBG-QZTJIDSGSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000605404404 675812659 /nfs/dbraw/zinc/81/26/59/675812659.db2.gz HKZUJQZZQYNKBG-QZTJIDSGSA-N 1 3 351.535 2.258 20 0 FEADHO Cc1cc(NCCN2CCN(C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000607142673 675855567 /nfs/dbraw/zinc/85/55/67/675855567.db2.gz GGSJDEVDMNHEHB-UHFFFAOYSA-N 1 3 350.413 2.226 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000617505819 676289382 /nfs/dbraw/zinc/28/93/82/676289382.db2.gz RAHVHGGZWBBANS-SOUVJXGZSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000617505819 676289383 /nfs/dbraw/zinc/28/93/83/676289383.db2.gz RAHVHGGZWBBANS-SOUVJXGZSA-N 1 3 353.457 2.457 20 0 FEADHO COc1ccc(CNCCC[N@H+](C)CCN(C)C)c(Br)c1 ZINC000623087801 676520003 /nfs/dbraw/zinc/52/00/03/676520003.db2.gz ITTCNBJMFQBGBU-UHFFFAOYSA-N 1 3 358.324 2.431 20 0 FEADHO COc1ccc(CNCCC[N@@H+](C)CCN(C)C)c(Br)c1 ZINC000623087801 676520007 /nfs/dbraw/zinc/52/00/07/676520007.db2.gz ITTCNBJMFQBGBU-UHFFFAOYSA-N 1 3 358.324 2.431 20 0 FEADHO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623524292 676539380 /nfs/dbraw/zinc/53/93/80/676539380.db2.gz MYWYPMZMWFDDNY-OAHLLOKOSA-N 1 3 373.950 2.389 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)N(C)C)cc1 ZINC000627045643 676736637 /nfs/dbraw/zinc/73/66/37/676736637.db2.gz PXJQDLFEGPIXKT-UNEWFSDZSA-N 1 3 350.532 2.451 20 0 FEADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000627169210 676742177 /nfs/dbraw/zinc/74/21/77/676742177.db2.gz QEKQZFRYMUBRIK-DLBZAZTESA-N 1 3 354.445 2.179 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000629419596 676854135 /nfs/dbraw/zinc/85/41/35/676854135.db2.gz PZFNYHMPXLSBGK-FGTMMUONSA-N 1 3 351.535 2.351 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000629419596 676854138 /nfs/dbraw/zinc/85/41/38/676854138.db2.gz PZFNYHMPXLSBGK-FGTMMUONSA-N 1 3 351.535 2.351 20 0 FEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccsc1 ZINC000635278287 677094496 /nfs/dbraw/zinc/09/44/96/677094496.db2.gz LSNHKWNCGXVVDX-ZACQAIPSSA-N 1 3 351.516 2.110 20 0 FEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccsc1 ZINC000635278287 677094497 /nfs/dbraw/zinc/09/44/97/677094497.db2.gz LSNHKWNCGXVVDX-ZACQAIPSSA-N 1 3 351.516 2.110 20 0 FEADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@H](C)C1 ZINC000638114205 677140301 /nfs/dbraw/zinc/14/03/01/677140301.db2.gz SUFYEKASUIFZIY-IUODEOHRSA-N 1 3 359.923 2.150 20 0 FEADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@H](C)C1 ZINC000638114205 677140302 /nfs/dbraw/zinc/14/03/02/677140302.db2.gz SUFYEKASUIFZIY-IUODEOHRSA-N 1 3 359.923 2.150 20 0 FEADHO C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639758008 677165243 /nfs/dbraw/zinc/16/52/43/677165243.db2.gz OJOFJZXBDBIJNY-QZTJIDSGSA-N 1 3 351.535 2.116 20 0 FEADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348269 677481137 /nfs/dbraw/zinc/48/11/37/677481137.db2.gz ZOEMPCKNEUALTI-CGZRUCAWSA-N 1 3 351.535 2.288 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653120674 677516727 /nfs/dbraw/zinc/51/67/27/677516727.db2.gz WXJHFPVZHBRUJQ-DLBZAZTESA-N 1 3 351.560 2.385 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3scnc3C)CC2)CC1 ZINC000654727784 677598507 /nfs/dbraw/zinc/59/85/07/677598507.db2.gz UDPHMGFBNYYTBF-UHFFFAOYSA-N 1 3 350.532 2.264 20 0 FEADHO CN(C)C[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655928835 677693377 /nfs/dbraw/zinc/69/33/77/677693377.db2.gz QKBBWYGOIALJLO-VXGBXAGGSA-N 1 3 352.788 2.132 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655931921 677693563 /nfs/dbraw/zinc/69/35/63/677693563.db2.gz QMDZDBVDVXYZGD-HIFRSBDPSA-N 1 3 358.408 2.040 20 0 FEADHO CC(C)[NH+](CCCNC(=O)NC1CCN([C@H]2CCOC2)CC1)C(C)C ZINC000660865905 678399511 /nfs/dbraw/zinc/39/95/11/678399511.db2.gz YLJAYIFBKQPOMC-SFHVURJKSA-N 1 3 354.539 2.048 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000661506481 678497264 /nfs/dbraw/zinc/49/72/64/678497264.db2.gz OXWYUVRJULCTCJ-KRWDZBQOSA-N 1 3 354.539 2.048 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000661506481 678497267 /nfs/dbraw/zinc/49/72/67/678497267.db2.gz OXWYUVRJULCTCJ-KRWDZBQOSA-N 1 3 354.539 2.048 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000661506482 678497558 /nfs/dbraw/zinc/49/75/58/678497558.db2.gz OXWYUVRJULCTCJ-QGZVFWFLSA-N 1 3 354.539 2.048 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000661506482 678497563 /nfs/dbraw/zinc/49/75/63/678497563.db2.gz OXWYUVRJULCTCJ-QGZVFWFLSA-N 1 3 354.539 2.048 20 0 FEADHO CN(CCOc1ccc(Br)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249918 678596618 /nfs/dbraw/zinc/59/66/18/678596618.db2.gz VIBGKOIRQJBLNY-HNNXBMFYSA-N 1 3 355.276 2.281 20 0 FEADHO CN(C)S(=O)(=O)c1cccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662294763 678601104 /nfs/dbraw/zinc/60/11/04/678601104.db2.gz MUCTXTULFIQJSY-GOSISDBHSA-N 1 3 365.543 2.149 20 0 FEADHO C[NH2+]CCCC(=O)N1CCC(NCc2cn3cc(Cl)ccc3n2)CC1 ZINC000663504364 678748495 /nfs/dbraw/zinc/74/84/95/678748495.db2.gz UMGSCRPPFZUNRS-UHFFFAOYSA-N 1 3 363.893 2.068 20 0 FEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc2cnccc2s1 ZINC000667812610 679127718 /nfs/dbraw/zinc/12/77/18/679127718.db2.gz RPDRPTKEEDARPF-CQSZACIVSA-N 1 3 361.515 2.179 20 0 FEADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000670126550 679271756 /nfs/dbraw/zinc/27/17/56/679271756.db2.gz IMWXZEAGPFVVAQ-NVXWUHKLSA-N 1 3 350.894 2.479 20 0 FEADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000670126550 679271758 /nfs/dbraw/zinc/27/17/58/679271758.db2.gz IMWXZEAGPFVVAQ-NVXWUHKLSA-N 1 3 350.894 2.479 20 0 FEADHO CN(C[C@@H](O)C[NH+]1CCCC1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000749800327 680076041 /nfs/dbraw/zinc/07/60/41/680076041.db2.gz HRWMMJQFAXYRPF-OFLPRAFFSA-N 1 3 355.523 2.211 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(CCc3scnc3C)C2)CC[N@@H+]1C ZINC001033100293 680418587 /nfs/dbraw/zinc/41/85/87/680418587.db2.gz YBYSKVKHFHGHDM-YESZJQIVSA-N 1 3 364.559 2.257 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(CCc3scnc3C)C2)CC[N@H+]1C ZINC001033100293 680418588 /nfs/dbraw/zinc/41/85/88/680418588.db2.gz YBYSKVKHFHGHDM-YESZJQIVSA-N 1 3 364.559 2.257 20 0 FEADHO Cc1cc([C@H](N)CC(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc(Cl)n1 ZINC000841851339 680914744 /nfs/dbraw/zinc/91/47/44/680914744.db2.gz OSQRVPJBKVTKGM-WDEREUQCSA-N 1 3 365.890 2.345 20 0 FEADHO CC(C)(C)OC(=O)N1CC[C@H](NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000769387325 680980260 /nfs/dbraw/zinc/98/02/60/680980260.db2.gz BVDAXZXIMVAFKO-INIZCTEOSA-N 1 3 353.507 2.230 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)[C@H]3C[NH2+]CCC3(F)F)cc2)CC1 ZINC000844191345 681043836 /nfs/dbraw/zinc/04/38/36/681043836.db2.gz MKTCFKHHMPUMHU-MRXNPFEDSA-N 1 3 352.429 2.012 20 0 FEADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCCc1nc2ccccc2s1 ZINC000844223170 681045695 /nfs/dbraw/zinc/04/56/95/681045695.db2.gz UDHOWUJBCJAPCQ-UHFFFAOYSA-N 1 3 358.511 2.031 20 0 FEADHO COCC[N@H+](C)C[C@@H](O)CN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000846851021 681298689 /nfs/dbraw/zinc/29/86/89/681298689.db2.gz AKTSVSYWPDKQAC-DOTOQJQBSA-N 1 3 360.420 2.434 20 0 FEADHO COCC[N@@H+](C)C[C@@H](O)CN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000846851021 681298691 /nfs/dbraw/zinc/29/86/91/681298691.db2.gz AKTSVSYWPDKQAC-DOTOQJQBSA-N 1 3 360.420 2.434 20 0 FEADHO CN1CCC(NC(=S)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CC1 ZINC000849292110 681680099 /nfs/dbraw/zinc/68/00/99/681680099.db2.gz MUYUHVHXWGMGHA-IBGZPJMESA-N 1 3 360.571 2.204 20 0 FEADHO CN1CCC(NC(=S)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CC1 ZINC000849292110 681680102 /nfs/dbraw/zinc/68/01/02/681680102.db2.gz MUYUHVHXWGMGHA-IBGZPJMESA-N 1 3 360.571 2.204 20 0 FEADHO O=S(=O)(C[C@@]12CCN(C1)CCC2)NCCCCC[NH+]1CCCCC1 ZINC000914093190 685494223 /nfs/dbraw/zinc/49/42/23/685494223.db2.gz SZNUPYUFKXDXJZ-SFHVURJKSA-N 1 3 357.564 2.048 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000851854229 682163303 /nfs/dbraw/zinc/16/33/03/682163303.db2.gz RCTPDSQGBLFXJP-YESZJQIVSA-N 1 3 357.539 2.313 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000851854229 682163306 /nfs/dbraw/zinc/16/33/06/682163306.db2.gz RCTPDSQGBLFXJP-YESZJQIVSA-N 1 3 357.539 2.313 20 0 FEADHO C[C@@H](NCCn1cnc(Br)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851926103 682186394 /nfs/dbraw/zinc/18/63/94/682186394.db2.gz JCAWLOAWQZTHRE-CHWSQXEVSA-N 1 3 356.312 2.283 20 0 FEADHO C[C@@H](NCCn1cnc(Br)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000851926103 682186397 /nfs/dbraw/zinc/18/63/97/682186397.db2.gz JCAWLOAWQZTHRE-CHWSQXEVSA-N 1 3 356.312 2.283 20 0 FEADHO C[C@@H]([NH2+]CCn1cnc(Br)n1)[C@@H]1CCCN(C2CCC2)C1 ZINC000851926103 682186399 /nfs/dbraw/zinc/18/63/99/682186399.db2.gz JCAWLOAWQZTHRE-CHWSQXEVSA-N 1 3 356.312 2.283 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000855345952 682660001 /nfs/dbraw/zinc/66/00/01/682660001.db2.gz LBIIPWXZIMTDNW-WMLDXEAASA-N 1 3 355.910 2.152 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000855345952 682660005 /nfs/dbraw/zinc/66/00/05/682660005.db2.gz LBIIPWXZIMTDNW-WMLDXEAASA-N 1 3 355.910 2.152 20 0 FEADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000925804669 683038629 /nfs/dbraw/zinc/03/86/29/683038629.db2.gz ARQUPXIKZXFZNR-ZDUSSCGKSA-N 1 3 368.547 2.140 20 0 FEADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000925998729 683061870 /nfs/dbraw/zinc/06/18/70/683061870.db2.gz WUZXMRWPBZYCOU-WBVHZDCISA-N 1 3 362.543 2.255 20 0 FEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc([C@@H](C)O)s3)C2)[C@H]1C(C)C ZINC000922393104 683713168 /nfs/dbraw/zinc/71/31/68/683713168.db2.gz KCKTVQXDXMNDPK-YGSJXBCNSA-N 1 3 353.532 2.156 20 0 FEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc([C@@H](C)O)s3)C2)[C@H]1C(C)C ZINC000922393104 683713172 /nfs/dbraw/zinc/71/31/72/683713172.db2.gz KCKTVQXDXMNDPK-YGSJXBCNSA-N 1 3 353.532 2.156 20 0 FEADHO CC(C)(C)OC(=O)N1CCO[C@](C)(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000922788362 683783213 /nfs/dbraw/zinc/78/32/13/683783213.db2.gz VZIOPGYLZHCIGR-JTDSTZFVSA-N 1 3 353.507 2.229 20 0 FEADHO CC(C)(C)OC(=O)N1CCO[C@](C)(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000922788362 683783219 /nfs/dbraw/zinc/78/32/19/683783219.db2.gz VZIOPGYLZHCIGR-JTDSTZFVSA-N 1 3 353.507 2.229 20 0 FEADHO Cc1ccnc(CNCCCN2CCC[N@@H+](C)CC2)c1Br ZINC000865451281 683984487 /nfs/dbraw/zinc/98/44/87/683984487.db2.gz XGOMKBCICFAUHA-UHFFFAOYSA-N 1 3 355.324 2.270 20 0 FEADHO Cc1ccnc(CNCCCN2CCC[N@H+](C)CC2)c1Br ZINC000865451281 683984491 /nfs/dbraw/zinc/98/44/91/683984491.db2.gz XGOMKBCICFAUHA-UHFFFAOYSA-N 1 3 355.324 2.270 20 0 FEADHO C[NH+](C)CC1(O)CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000931486805 684291605 /nfs/dbraw/zinc/29/16/05/684291605.db2.gz LJEDGPPRFIDFJU-UHFFFAOYSA-N 1 3 350.488 2.119 20 0 FEADHO CN(C)CCCS(=O)(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000867654365 684344135 /nfs/dbraw/zinc/34/41/35/684344135.db2.gz WVRKCHCXVYBQLG-UHFFFAOYSA-N 1 3 367.559 2.160 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCN1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000924476001 684453987 /nfs/dbraw/zinc/45/39/87/684453987.db2.gz AGIMFTGJEXJQFB-IAGOWNOFSA-N 1 3 350.507 2.047 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCN1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000924476001 684453990 /nfs/dbraw/zinc/45/39/90/684453990.db2.gz AGIMFTGJEXJQFB-IAGOWNOFSA-N 1 3 350.507 2.047 20 0 FEADHO C[C@H]([NH2+]C1CCN(CC2CCCC2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924857827 684499409 /nfs/dbraw/zinc/49/94/09/684499409.db2.gz WUSLNJLEAQGATK-INIZCTEOSA-N 1 3 371.591 2.291 20 0 FEADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)C1 ZINC000925337453 684550995 /nfs/dbraw/zinc/55/09/95/684550995.db2.gz JAQNNCQYCQWGDA-JYJNAYRXSA-N 1 3 365.547 2.007 20 0 FEADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)C1 ZINC000925337453 684550998 /nfs/dbraw/zinc/55/09/98/684550998.db2.gz JAQNNCQYCQWGDA-JYJNAYRXSA-N 1 3 365.547 2.007 20 0 FEADHO [NH3+]CCC[C@@H](NCCS(=O)(=O)NCc1ccccc1)c1ccccc1 ZINC000925601400 684572538 /nfs/dbraw/zinc/57/25/38/684572538.db2.gz LBOQUDGRZQQMHP-LJQANCHMSA-N 1 3 361.511 2.176 20 0 FEADHO Cc1ccc(S(=O)(=O)NCCN[C@H](CCC[NH3+])c2ccccc2)s1 ZINC000925617692 684574346 /nfs/dbraw/zinc/57/43/46/684574346.db2.gz QXJLBRSMBQNPNQ-MRXNPFEDSA-N 1 3 367.540 2.405 20 0 FEADHO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158204 684923739 /nfs/dbraw/zinc/92/37/39/684923739.db2.gz ZPMFMYBHKMEQNX-NEPXVJNWSA-N 1 3 351.535 2.290 20 0 FEADHO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158205 684923865 /nfs/dbraw/zinc/92/38/65/684923865.db2.gz ZPMFMYBHKMEQNX-ZAWLATJESA-N 1 3 351.535 2.290 20 0 FEADHO CC(C)(O)C[NH+]1CCC(NC[C@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000877163893 686335008 /nfs/dbraw/zinc/33/50/08/686335008.db2.gz WECHSJOJVOAYFX-INIZCTEOSA-N 1 3 355.523 2.115 20 0 FEADHO CCOC(=O)c1cc(CN(CCOC)CC2CC[NH+](C)CC2)[nH]c1C ZINC000877664556 686432399 /nfs/dbraw/zinc/43/23/99/686432399.db2.gz QXCAWFTWISYINW-UHFFFAOYSA-N 1 3 351.491 2.290 20 0 FEADHO CC[C@@](C)(COc1ncccc1Cl)NCC(=O)NC1CC[NH+](C)CC1 ZINC000878286596 686558029 /nfs/dbraw/zinc/55/80/29/686558029.db2.gz JVYYPVILKBUSRH-SFHVURJKSA-N 1 3 368.909 2.083 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)CC[C@H]3CC(C)(C)CO3)CC2)CC1 ZINC000878554209 686607256 /nfs/dbraw/zinc/60/72/56/686607256.db2.gz YJDZFOCSOPCJGD-SFHVURJKSA-N 1 3 351.535 2.257 20 0 FEADHO C[NH+](C)C[C@@]1(O)CCCN(CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000878866988 686677733 /nfs/dbraw/zinc/67/77/33/686677733.db2.gz ZEGPAHVBQLLKAV-APWZRJJASA-N 1 3 355.523 2.022 20 0 FEADHO C[NH+]1CCC(CNCc2ccccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000892545693 689210797 /nfs/dbraw/zinc/21/07/97/689210797.db2.gz XAIKOERUOQDMQD-UHFFFAOYSA-N 1 3 365.543 2.293 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904320451 691019585 /nfs/dbraw/zinc/01/95/85/691019585.db2.gz HLQJNRBMGCMFMT-RCCFBDPRSA-N 1 3 360.527 2.292 20 0 FEADHO Cc1nn(C)c2nc(Cl)c(CN3CCC4(CO[C@@H](C[NH3+])C4)CC3)cc12 ZINC000904392625 691024485 /nfs/dbraw/zinc/02/44/85/691024485.db2.gz VSJGVOLWTJDIBH-CQSZACIVSA-N 1 3 363.893 2.260 20 0 FEADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000905080989 691064669 /nfs/dbraw/zinc/06/46/69/691064669.db2.gz FTAIUZNIRCCYQX-CJNGLKHVSA-N 1 3 374.312 2.204 20 0 FEADHO C[C@](O)(C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)C(F)(F)C(F)(F)F ZINC000905173926 691076447 /nfs/dbraw/zinc/07/64/47/691076447.db2.gz IKPUDNJYFWMRFJ-MCIONIFRSA-N 1 3 374.394 2.293 20 0 FEADHO CN(C)C[C@H](NC(=O)c1ccnn1CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000908068451 691608998 /nfs/dbraw/zinc/60/89/98/691608998.db2.gz JWPXWTAVZFCRPL-INIZCTEOSA-N 1 3 363.893 2.131 20 0 FEADHO CN1CCN(CC[NH2+]C[C@@H](O)c2ccccc2Br)CC1(C)C ZINC000819286028 675277164 /nfs/dbraw/zinc/27/71/64/675277164.db2.gz DIWHOVBIEYVNKZ-MRXNPFEDSA-N 1 3 370.335 2.098 20 0 FEADHO COc1ccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050800159 540414853 /nfs/dbraw/zinc/41/48/53/540414853.db2.gz JDXXRMSFUMCNNJ-UHFFFAOYSA-N 1 3 359.514 2.303 20 0 FEADHO C[C@H](Oc1cccc(F)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050799074 540414910 /nfs/dbraw/zinc/41/49/10/540414910.db2.gz UMLMIEQDFGOCTH-HNNXBMFYSA-N 1 3 363.477 2.268 20 0 FEADHO C[C@@H](Oc1ccc(F)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050802849 540415414 /nfs/dbraw/zinc/41/54/14/540415414.db2.gz XXDXGVLMYBQAAY-OAHLLOKOSA-N 1 3 363.477 2.268 20 0 FEADHO Cc1nc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)sc1C ZINC000051235927 540427800 /nfs/dbraw/zinc/42/78/00/540427800.db2.gz GWCFDPRPCCAPNZ-UHFFFAOYSA-N 1 3 351.520 2.440 20 0 FEADHO COc1ccc(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000051758483 540442877 /nfs/dbraw/zinc/44/28/77/540442877.db2.gz OYTSUOAZNXSHCM-UHFFFAOYSA-N 1 3 374.529 2.096 20 0 FEADHO C[C@H]1c2cccn2CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759862 540443437 /nfs/dbraw/zinc/44/34/37/540443437.db2.gz COZKSOKBIVJNAU-INIZCTEOSA-N 1 3 359.518 2.133 20 0 FEADHO CN(C)CCn1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000061634952 541136100 /nfs/dbraw/zinc/13/61/00/541136100.db2.gz BYFHKDDSVXFAHU-GOSISDBHSA-N 1 3 355.486 2.295 20 0 FEADHO CN(C)CCn1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000061634952 541136103 /nfs/dbraw/zinc/13/61/03/541136103.db2.gz BYFHKDDSVXFAHU-GOSISDBHSA-N 1 3 355.486 2.295 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)CC2)c1 ZINC000073103809 541918773 /nfs/dbraw/zinc/91/87/73/541918773.db2.gz RSWNDMCVHXSFQW-HXUWFJFHSA-N 1 3 372.557 2.354 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H]3CC[N@H+](C(C)C)C3)CC2)c1 ZINC000073103809 541918777 /nfs/dbraw/zinc/91/87/77/541918777.db2.gz RSWNDMCVHXSFQW-HXUWFJFHSA-N 1 3 372.557 2.354 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000073664426 541983414 /nfs/dbraw/zinc/98/34/14/541983414.db2.gz RFONUYUVVMWOAQ-GOSISDBHSA-N 1 3 368.566 2.393 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000073706487 541989309 /nfs/dbraw/zinc/98/93/09/541989309.db2.gz MZDXVAFWUOZMMV-MOPGFXCFSA-N 1 3 374.529 2.048 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000073706487 541989315 /nfs/dbraw/zinc/98/93/15/541989315.db2.gz MZDXVAFWUOZMMV-MOPGFXCFSA-N 1 3 374.529 2.048 20 0 FEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000074158982 542044430 /nfs/dbraw/zinc/04/44/30/542044430.db2.gz JWXIAMYVDXSAQB-FQEVSTJZSA-N 1 3 372.557 2.389 20 0 FEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000074158982 542044433 /nfs/dbraw/zinc/04/44/33/542044433.db2.gz JWXIAMYVDXSAQB-FQEVSTJZSA-N 1 3 372.557 2.389 20 0 FEADHO Cc1ccc(-c2nc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)co2)cc1 ZINC000074945607 542140756 /nfs/dbraw/zinc/14/07/56/542140756.db2.gz UMOSCBSVLZYHDK-UHFFFAOYSA-N 1 3 373.501 2.285 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCOc2ccccc21 ZINC000076877115 542327473 /nfs/dbraw/zinc/32/74/73/542327473.db2.gz IZAWOOHOWXWCQQ-IEBWSBKVSA-N 1 3 359.514 2.427 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCOc2ccccc21 ZINC000076877115 542327476 /nfs/dbraw/zinc/32/74/76/542327476.db2.gz IZAWOOHOWXWCQQ-IEBWSBKVSA-N 1 3 359.514 2.427 20 0 FEADHO CN1CCC(O)(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000077450545 542382909 /nfs/dbraw/zinc/38/29/09/542382909.db2.gz PUFPYYAOIMZIPZ-UHFFFAOYSA-N 1 3 368.403 2.437 20 0 FEADHO C[NH+](C)C1(CNC(=O)N2CCN(CC3CCOCC3)CC2)CCCCC1 ZINC000077541744 542394923 /nfs/dbraw/zinc/39/49/23/542394923.db2.gz MAARAOUXIOGOHX-UHFFFAOYSA-N 1 3 366.550 2.005 20 0 FEADHO CN(C)CCOc1cc(C[NH2+]C2CCN(Cc3ccccn3)CC2)ccn1 ZINC000090937439 542789011 /nfs/dbraw/zinc/78/90/11/542789011.db2.gz CICYKVWZBYZHLG-UHFFFAOYSA-N 1 3 369.513 2.171 20 0 FEADHO C[C@@H]1CCCN(CCNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000093120931 542909101 /nfs/dbraw/zinc/90/91/01/542909101.db2.gz ZZHPGZXDIUPVDB-QGZVFWFLSA-N 1 3 359.518 2.329 20 0 FEADHO O=C(NCCCC[NH+]1CCCC1)NC1CCN(CCc2ccncc2)CC1 ZINC000101789820 543045215 /nfs/dbraw/zinc/04/52/15/543045215.db2.gz UAAMVMQCQUVEBH-UHFFFAOYSA-N 1 3 373.545 2.264 20 0 FEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(CCOC)CC1 ZINC000108929551 543308727 /nfs/dbraw/zinc/30/87/27/543308727.db2.gz YFEUBDZTMVHEDH-GOSISDBHSA-N 1 3 354.539 2.051 20 0 FEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(CCOC)CC1 ZINC000108929551 543308730 /nfs/dbraw/zinc/30/87/30/543308730.db2.gz YFEUBDZTMVHEDH-GOSISDBHSA-N 1 3 354.539 2.051 20 0 FEADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000109786494 543339169 /nfs/dbraw/zinc/33/91/69/543339169.db2.gz USELHCOUWCNKAY-LJQANCHMSA-N 1 3 363.502 2.191 20 0 FEADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000109786494 543339172 /nfs/dbraw/zinc/33/91/72/543339172.db2.gz USELHCOUWCNKAY-LJQANCHMSA-N 1 3 363.502 2.191 20 0 FEADHO C[C@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000109953725 543344580 /nfs/dbraw/zinc/34/45/80/543344580.db2.gz YWGBMBVLKORQTD-HXUWFJFHSA-N 1 3 372.557 2.437 20 0 FEADHO CCN1CCCC[C@H]1CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000111464742 543403136 /nfs/dbraw/zinc/40/31/36/543403136.db2.gz OBLGRSVVVGQMID-SFHVURJKSA-N 1 3 362.518 2.301 20 0 FEADHO COc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(OC)cc1Cl ZINC000119767785 543672084 /nfs/dbraw/zinc/67/20/84/543672084.db2.gz NQMUUMZHYGMTDD-UHFFFAOYSA-N 1 3 372.897 2.314 20 0 FEADHO COc1cc(C)c([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1OC ZINC000127980580 544025157 /nfs/dbraw/zinc/02/51/57/544025157.db2.gz QAPNASMMPQQTSA-CVEARBPZSA-N 1 3 363.502 2.250 20 0 FEADHO Cc1cc(Br)cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000127303788 543984049 /nfs/dbraw/zinc/98/40/49/543984049.db2.gz MEZOBWNCCPFOEV-UHFFFAOYSA-N 1 3 356.308 2.323 20 0 FEADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCN1CCCN(C)CC1 ZINC000128238987 544040788 /nfs/dbraw/zinc/04/07/88/544040788.db2.gz KEJUFIDZXJHILG-OAHLLOKOSA-N 1 3 367.925 2.069 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@H](C)[S@](C)=O)CC1 ZINC000133360282 544266828 /nfs/dbraw/zinc/26/68/28/544266828.db2.gz RWRUNBYVAPUULM-BXKMTCNYSA-N 1 3 351.560 2.465 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000133892950 544287024 /nfs/dbraw/zinc/28/70/24/544287024.db2.gz RMAJBFLADIUBCY-IRXDYDNUSA-N 1 3 359.518 2.248 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000133892950 544287026 /nfs/dbraw/zinc/28/70/26/544287026.db2.gz RMAJBFLADIUBCY-IRXDYDNUSA-N 1 3 359.518 2.248 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)CN1Cc1ccccc1 ZINC000136012563 544364943 /nfs/dbraw/zinc/36/49/43/544364943.db2.gz FYZUTEZNFZTCQP-FUHWJXTLSA-N 1 3 370.501 2.229 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000136750170 544378652 /nfs/dbraw/zinc/37/86/52/544378652.db2.gz RXSGLJFUVPCBJQ-QUCCMNQESA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000136750170 544378653 /nfs/dbraw/zinc/37/86/53/544378653.db2.gz RXSGLJFUVPCBJQ-QUCCMNQESA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Br)cc1 ZINC000152850610 544703562 /nfs/dbraw/zinc/70/35/62/544703562.db2.gz WDBCOQXRISLUCK-UHFFFAOYSA-N 1 3 357.296 2.406 20 0 FEADHO C[N@@H+]1CCC[C@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)CC[C@@H]21 ZINC000155069398 544984204 /nfs/dbraw/zinc/98/42/04/544984204.db2.gz SWJKIJUKDFEURR-FPOVZHCZSA-N 1 3 370.541 2.141 20 0 FEADHO C[N@H+]1CCC[C@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)CC[C@@H]21 ZINC000155069398 544984211 /nfs/dbraw/zinc/98/42/11/544984211.db2.gz SWJKIJUKDFEURR-FPOVZHCZSA-N 1 3 370.541 2.141 20 0 FEADHO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000183160632 327804824 /nfs/dbraw/zinc/80/48/24/327804824.db2.gz UJCKNLMOARALDA-QZTJIDSGSA-N 1 3 351.516 2.243 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(C(F)(F)F)CC3)CC2)CC1 ZINC000553857015 674289652 /nfs/dbraw/zinc/28/96/52/674289652.db2.gz NBOXAMNTNVSVIM-UHFFFAOYSA-N 1 3 362.440 2.187 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(C)(C)OC(C)(C)C3)CC2)CC1 ZINC000187973457 328057402 /nfs/dbraw/zinc/05/74/02/328057402.db2.gz IQUTXTWOGWXLBU-UHFFFAOYSA-N 1 3 366.550 2.144 20 0 FEADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1[nH]nc2c1CNCC2 ZINC000188745962 328108288 /nfs/dbraw/zinc/10/82/88/328108288.db2.gz FQCFTAIBUBBMLP-UHFFFAOYSA-N 1 3 355.486 2.040 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000189700992 328162749 /nfs/dbraw/zinc/16/27/49/328162749.db2.gz SPRGIYKQKXHAHB-UHFFFAOYSA-N 1 3 362.518 2.253 20 0 FEADHO C[C@H](CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[N@H+](C)C1CC1 ZINC000192383953 328316925 /nfs/dbraw/zinc/31/69/25/328316925.db2.gz RACGSNBVEYGLOC-YLJYHZDGSA-N 1 3 374.529 2.059 20 0 FEADHO C[C@H](CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[N@@H+](C)C1CC1 ZINC000192383953 328316926 /nfs/dbraw/zinc/31/69/26/328316926.db2.gz RACGSNBVEYGLOC-YLJYHZDGSA-N 1 3 374.529 2.059 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000194103624 328411169 /nfs/dbraw/zinc/41/11/69/328411169.db2.gz SCTDQRZFSIEPCI-VAMGGRTRSA-N 1 3 371.525 2.415 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NCC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000236613206 328489803 /nfs/dbraw/zinc/48/98/03/328489803.db2.gz SBZXDNSVGZXSPS-GOSISDBHSA-N 1 3 358.530 2.337 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])cc2)CC1 ZINC000236613640 328489928 /nfs/dbraw/zinc/48/99/28/328489928.db2.gz MOHLTBBLBKGQNP-UYAOXDASSA-N 1 3 358.530 2.464 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000236839056 328495743 /nfs/dbraw/zinc/49/57/43/328495743.db2.gz ZRYGOIYCDNEQBJ-IBGZPJMESA-N 1 3 370.501 2.016 20 0 FEADHO C[C@@H](NC1(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)CCOCC1)c1ccccc1 ZINC000237412862 328515227 /nfs/dbraw/zinc/51/52/27/328515227.db2.gz YLRUIGNWUVLOBP-MJGOQNOKSA-N 1 3 371.525 2.392 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H](C)[N@H+](C)C3CC3)CC2)c1 ZINC000081339186 325170544 /nfs/dbraw/zinc/17/05/44/325170544.db2.gz PJKUKQBEAGMCSS-GOSISDBHSA-N 1 3 358.530 2.106 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H](C)[N@@H+](C)C3CC3)CC2)c1 ZINC000081339186 325170546 /nfs/dbraw/zinc/17/05/46/325170546.db2.gz PJKUKQBEAGMCSS-GOSISDBHSA-N 1 3 358.530 2.106 20 0 FEADHO CC1CC[NH+](CCCNC(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000088480258 325295516 /nfs/dbraw/zinc/29/55/16/325295516.db2.gz DQJYEAHGMGXYGA-UHFFFAOYSA-N 1 3 350.507 2.475 20 0 FEADHO C[NH+](C)CCCOc1ccc(CNC(=O)NCCN2CCCCC2)cc1 ZINC000103246956 325510649 /nfs/dbraw/zinc/51/06/49/325510649.db2.gz DPZZKIVEDWJENE-UHFFFAOYSA-N 1 3 362.518 2.302 20 0 FEADHO COCCN(C)CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116435156 326014318 /nfs/dbraw/zinc/01/43/18/326014318.db2.gz DOQADLAJMVLFPD-KRWDZBQOSA-N 1 3 362.518 2.089 20 0 FEADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(OC)c1 ZINC000119421906 326160365 /nfs/dbraw/zinc/16/03/65/326160365.db2.gz FOWRAHJNKIYQJG-CABCVRRESA-N 1 3 361.486 2.495 20 0 FEADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c(OC)c1 ZINC000119421906 326160369 /nfs/dbraw/zinc/16/03/69/326160369.db2.gz FOWRAHJNKIYQJG-CABCVRRESA-N 1 3 361.486 2.495 20 0 FEADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000119423160 326160971 /nfs/dbraw/zinc/16/09/71/326160971.db2.gz FHTMSGHUBQVIQY-GJZGRUSLSA-N 1 3 361.486 2.495 20 0 FEADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000119423160 326160974 /nfs/dbraw/zinc/16/09/74/326160974.db2.gz FHTMSGHUBQVIQY-GJZGRUSLSA-N 1 3 361.486 2.495 20 0 FEADHO C[C@@H](CNC(=O)NCc1cccc(OCCN(C)C)c1)C[NH+]1CCCC1 ZINC000121955268 326378142 /nfs/dbraw/zinc/37/81/42/326378142.db2.gz ILQQDTQLHCXHKK-KRWDZBQOSA-N 1 3 362.518 2.158 20 0 FEADHO C[C@@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)N1CCN(C)CC1 ZINC000127522118 326507981 /nfs/dbraw/zinc/50/79/81/326507981.db2.gz AFMMNYCKPPSCJI-SFHVURJKSA-N 1 3 362.537 2.058 20 0 FEADHO CN(CCN1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1)Cc1ccccc1 ZINC000167701852 327085907 /nfs/dbraw/zinc/08/59/07/327085907.db2.gz KFUOZZQUONMZLP-UHFFFAOYSA-N 1 3 366.509 2.035 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)C[C@H]2CCCOC2)CC1 ZINC000171637404 327150558 /nfs/dbraw/zinc/15/05/58/327150558.db2.gz VFLAOJPCHOYMEF-LJQANCHMSA-N 1 3 373.541 2.434 20 0 FEADHO CN(C)CCn1ccc(NC(=O)NCCC[N@H+](C)C2CCCCC2)n1 ZINC000173919040 327294633 /nfs/dbraw/zinc/29/46/33/327294633.db2.gz ILZRZHOUDVOEED-UHFFFAOYSA-N 1 3 350.511 2.221 20 0 FEADHO CN(C)CCn1ccc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)n1 ZINC000173919040 327294634 /nfs/dbraw/zinc/29/46/34/327294634.db2.gz ILZRZHOUDVOEED-UHFFFAOYSA-N 1 3 350.511 2.221 20 0 FEADHO CN1CCC2(CC1)C[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1O2 ZINC000173934918 327295742 /nfs/dbraw/zinc/29/57/42/327295742.db2.gz HQBMHVTXSQCJBC-SFHVURJKSA-N 1 3 357.498 2.433 20 0 FEADHO C[C@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)N(C)Cc1ccccc1 ZINC000173945195 327296360 /nfs/dbraw/zinc/29/63/60/327296360.db2.gz ADCBDRCBECJPRI-MRXNPFEDSA-N 1 3 358.490 2.087 20 0 FEADHO C[C@H](C(=O)Nc1ccccc1Cl)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174723845 327346044 /nfs/dbraw/zinc/34/60/44/327346044.db2.gz LEFXMUUYMVMWGZ-OAHLLOKOSA-N 1 3 352.910 2.236 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000175403596 327391154 /nfs/dbraw/zinc/39/11/54/327391154.db2.gz WXIWPGZTTUFHTC-GOSISDBHSA-N 1 3 362.518 2.253 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000175919716 327421141 /nfs/dbraw/zinc/42/11/41/327421141.db2.gz FMFBQXKAAMZZCU-FQEVSTJZSA-N 1 3 356.514 2.139 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000176038923 327429710 /nfs/dbraw/zinc/42/97/10/327429710.db2.gz ODJUNKUGEQEDFP-UHFFFAOYSA-N 1 3 362.518 2.230 20 0 FEADHO CCc1ccc([C@@H](CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)N(C)C)cc1 ZINC000262880517 328897278 /nfs/dbraw/zinc/89/72/78/328897278.db2.gz YXNSSMYHQVAUSM-UYAOXDASSA-N 1 3 369.513 2.403 20 0 FEADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(CCOC)CCN(C)C)cc1 ZINC000264305551 329008869 /nfs/dbraw/zinc/00/88/69/329008869.db2.gz YGZOEMVKIFVRGF-UHFFFAOYSA-N 1 3 364.534 2.248 20 0 FEADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)C(=O)c1ccc(Cl)cc1 ZINC000264424339 329021481 /nfs/dbraw/zinc/02/14/81/329021481.db2.gz SASJBQNNGHTTRA-UHFFFAOYSA-N 1 3 353.894 2.255 20 0 FEADHO CC[NH+](CC)CCSCC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000266845324 329265141 /nfs/dbraw/zinc/26/51/41/329265141.db2.gz PWXVDQHVEGPULJ-UHFFFAOYSA-N 1 3 367.559 2.318 20 0 FEADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000267230480 329304808 /nfs/dbraw/zinc/30/48/08/329304808.db2.gz WLEAITYNERNKGL-IBGZPJMESA-N 1 3 364.559 2.375 20 0 FEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000267230480 329304810 /nfs/dbraw/zinc/30/48/10/329304810.db2.gz WLEAITYNERNKGL-IBGZPJMESA-N 1 3 364.559 2.375 20 0 FEADHO CN(C)Cc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000268974436 329474046 /nfs/dbraw/zinc/47/40/46/329474046.db2.gz PKRFSPZESOVSJA-OALUTQOASA-N 1 3 360.502 2.248 20 0 FEADHO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000273033011 329831346 /nfs/dbraw/zinc/83/13/46/329831346.db2.gz SMBMYSGLIZGHBD-IBGZPJMESA-N 1 3 356.445 2.123 20 0 FEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000273233082 329847591 /nfs/dbraw/zinc/84/75/91/329847591.db2.gz OWTUINKABQLHAN-INIZCTEOSA-N 1 3 361.530 2.426 20 0 FEADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000274136074 329918940 /nfs/dbraw/zinc/91/89/40/329918940.db2.gz YWKPIVGRXPTZGD-JENIJYKNSA-N 1 3 359.514 2.170 20 0 FEADHO CN(C)[C@]1(CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)CCSC1 ZINC000276070434 330116389 /nfs/dbraw/zinc/11/63/89/330116389.db2.gz JSUCSBZLJVRGSV-IBGZPJMESA-N 1 3 364.559 2.027 20 0 FEADHO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000555789435 674376558 /nfs/dbraw/zinc/37/65/58/674376558.db2.gz UPKIHFBIGNOBEU-UHFFFAOYSA-N 1 3 367.559 2.489 20 0 FEADHO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000555789435 674376560 /nfs/dbraw/zinc/37/65/60/674376560.db2.gz UPKIHFBIGNOBEU-UHFFFAOYSA-N 1 3 367.559 2.489 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000478589794 561170557 /nfs/dbraw/zinc/17/05/57/561170557.db2.gz FMVORZKLQZZOND-INIZCTEOSA-N 1 3 362.518 2.251 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000478589794 561170558 /nfs/dbraw/zinc/17/05/58/561170558.db2.gz FMVORZKLQZZOND-INIZCTEOSA-N 1 3 362.518 2.251 20 0 FEADHO COCCCN1CCC(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000171196717 546195116 /nfs/dbraw/zinc/19/51/16/546195116.db2.gz RXHYLJMUUYELNJ-SFHVURJKSA-N 1 3 368.566 2.299 20 0 FEADHO COCCCN1CCC(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000171196717 546195120 /nfs/dbraw/zinc/19/51/20/546195120.db2.gz RXHYLJMUUYELNJ-SFHVURJKSA-N 1 3 368.566 2.299 20 0 FEADHO COCCCN1CCC(NC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000171196211 546195256 /nfs/dbraw/zinc/19/52/56/546195256.db2.gz KAWWRSUPGDMCQK-UHFFFAOYSA-N 1 3 368.566 2.441 20 0 FEADHO COCCCN1CCC(NC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000171196211 546195261 /nfs/dbraw/zinc/19/52/61/546195261.db2.gz KAWWRSUPGDMCQK-UHFFFAOYSA-N 1 3 368.566 2.441 20 0 FEADHO COCCN(C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000171203603 546196938 /nfs/dbraw/zinc/19/69/38/546196938.db2.gz IFSBMDJMGWFTQG-IBGZPJMESA-N 1 3 362.518 2.009 20 0 FEADHO CC(C)(CNC(=O)N1CCN(CC2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000172435719 546252503 /nfs/dbraw/zinc/25/25/03/546252503.db2.gz NDSYDQDDEPTIAY-UHFFFAOYSA-N 1 3 366.550 2.005 20 0 FEADHO CC(C)(C)[NH+]1CCC(NC(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000172450621 546252874 /nfs/dbraw/zinc/25/28/74/546252874.db2.gz RWWRICMLUYGWQY-UHFFFAOYSA-N 1 3 366.550 2.003 20 0 FEADHO CC[NH+]1CCN(c2ccc(C(=O)N3CCCN(C4CC4)CC3)cc2)CC1 ZINC000175794337 546351795 /nfs/dbraw/zinc/35/17/95/546351795.db2.gz MACWMLJKMCOESN-UHFFFAOYSA-N 1 3 356.514 2.139 20 0 FEADHO C[C@H](C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)N1CCCCCC1 ZINC000175832319 546358584 /nfs/dbraw/zinc/35/85/84/546358584.db2.gz FNKRKCJKKKOXPA-VAMGGRTRSA-N 1 3 364.578 2.268 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000480911194 561220058 /nfs/dbraw/zinc/22/00/58/561220058.db2.gz OWLWKGOZWJNGHN-IUODEOHRSA-N 1 3 354.292 2.109 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000480911194 561220059 /nfs/dbraw/zinc/22/00/59/561220059.db2.gz OWLWKGOZWJNGHN-IUODEOHRSA-N 1 3 354.292 2.109 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000177504852 546633060 /nfs/dbraw/zinc/63/30/60/546633060.db2.gz SPVGICAADITOLI-AZUAARDMSA-N 1 3 358.530 2.431 20 0 FEADHO CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481778413 561241936 /nfs/dbraw/zinc/24/19/36/561241936.db2.gz IOWWXQSBKVFQQP-GOSISDBHSA-N 1 3 358.596 2.433 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000178812657 546853744 /nfs/dbraw/zinc/85/37/44/546853744.db2.gz GXWASNGMLHAUMJ-QFBILLFUSA-N 1 3 357.502 2.097 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000178812657 546853750 /nfs/dbraw/zinc/85/37/50/546853750.db2.gz GXWASNGMLHAUMJ-QFBILLFUSA-N 1 3 357.502 2.097 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NCC3(C)CC[NH2+]CC3)cc2)CC1 ZINC000183357126 547644144 /nfs/dbraw/zinc/64/41/44/547644144.db2.gz LINFSSVETYIXMK-UHFFFAOYSA-N 1 3 358.530 2.337 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000183592081 547686239 /nfs/dbraw/zinc/68/62/39/547686239.db2.gz GGZCWHCTXJTYAY-INIZCTEOSA-N 1 3 367.534 2.029 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NCC[N@H+](CC)C3CC3)c2)CC1 ZINC000184885502 547893733 /nfs/dbraw/zinc/89/37/33/547893733.db2.gz GBBXMRHLWGPMSO-UHFFFAOYSA-N 1 3 359.518 2.434 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NCC[N@@H+](CC)C3CC3)c2)CC1 ZINC000184885502 547893737 /nfs/dbraw/zinc/89/37/37/547893737.db2.gz GBBXMRHLWGPMSO-UHFFFAOYSA-N 1 3 359.518 2.434 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000194445034 548483927 /nfs/dbraw/zinc/48/39/27/548483927.db2.gz AYIZTPZUDRRJRB-UXHICEINSA-N 1 3 354.498 2.164 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000194445034 548483929 /nfs/dbraw/zinc/48/39/29/548483929.db2.gz AYIZTPZUDRRJRB-UXHICEINSA-N 1 3 354.498 2.164 20 0 FEADHO C[NH+](C)CCOc1cccc(CNC(=O)N2CCCN(C3CC3)CC2)c1 ZINC000194658775 548513630 /nfs/dbraw/zinc/51/36/30/548513630.db2.gz JJWPLAACWFVSMI-UHFFFAOYSA-N 1 3 360.502 2.007 20 0 FEADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CN2CCN1CCC2 ZINC000486673990 561354105 /nfs/dbraw/zinc/35/41/05/561354105.db2.gz ICPFWIKZHAGGCJ-OAQYLSRUSA-N 1 3 370.541 2.069 20 0 FEADHO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000486676562 561354207 /nfs/dbraw/zinc/35/42/07/561354207.db2.gz OXSJXEUNXKQKJU-AWEZNQCLSA-N 1 3 361.534 2.195 20 0 FEADHO COCCN1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000195142442 548583884 /nfs/dbraw/zinc/58/38/84/548583884.db2.gz SBGNUSGPWRUVQC-QGZVFWFLSA-N 1 3 354.539 2.051 20 0 FEADHO COCCN1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000195142442 548583886 /nfs/dbraw/zinc/58/38/86/548583886.db2.gz SBGNUSGPWRUVQC-QGZVFWFLSA-N 1 3 354.539 2.051 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])cc2)CC1 ZINC000236613669 548768667 /nfs/dbraw/zinc/76/86/67/548768667.db2.gz MOHLTBBLBKGQNP-AZUAARDMSA-N 1 3 358.530 2.464 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1)[C@H]1CCCN(C)C1 ZINC000237127464 548801820 /nfs/dbraw/zinc/80/18/20/548801820.db2.gz XUPHQVCUMARIIY-DLBZAZTESA-N 1 3 360.502 2.165 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000237127464 548801822 /nfs/dbraw/zinc/80/18/22/548801822.db2.gz XUPHQVCUMARIIY-DLBZAZTESA-N 1 3 360.502 2.165 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000237127464 548801823 /nfs/dbraw/zinc/80/18/23/548801823.db2.gz XUPHQVCUMARIIY-DLBZAZTESA-N 1 3 360.502 2.165 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1)[C@H]1CCCN(C)C1 ZINC000237187648 548806371 /nfs/dbraw/zinc/80/63/71/548806371.db2.gz DOLZCSVTXQJXET-GHTZIAJQSA-N 1 3 372.513 2.181 20 0 FEADHO COc1cc(CNC(=O)c2ccc(C[NH3+])cc2)ccc1OCCN(C)C ZINC000237361766 548822239 /nfs/dbraw/zinc/82/22/39/548822239.db2.gz HOMNEXYMSUBCBH-UHFFFAOYSA-N 1 3 357.454 2.024 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H]([NH3+])c3ccccc3)CC2)c1 ZINC000237719340 548846411 /nfs/dbraw/zinc/84/64/11/548846411.db2.gz VRIMASUQSRYZPH-NRFANRHFSA-N 1 3 366.509 2.323 20 0 FEADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCCN(C)Cc2ccccc2)C[C@@H](C)C1 ZINC000488041147 561382056 /nfs/dbraw/zinc/38/20/56/561382056.db2.gz HGVVQQCIMPRGKM-BJLQDIEVSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCCN(C)Cc2ccccc2)C[C@@H](C)C1 ZINC000488041147 561382057 /nfs/dbraw/zinc/38/20/57/561382057.db2.gz HGVVQQCIMPRGKM-BJLQDIEVSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)C1 ZINC000246028914 549038935 /nfs/dbraw/zinc/03/89/35/549038935.db2.gz VVVNFBATSVEFJT-HCXYKTFWSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)C1 ZINC000246028914 549038941 /nfs/dbraw/zinc/03/89/41/549038941.db2.gz VVVNFBATSVEFJT-HCXYKTFWSA-N 1 3 350.551 2.480 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000246115179 549055071 /nfs/dbraw/zinc/05/50/71/549055071.db2.gz IAHMNBNRGQTOQW-MSOLQXFVSA-N 1 3 360.502 2.005 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000246115179 549055073 /nfs/dbraw/zinc/05/50/73/549055073.db2.gz IAHMNBNRGQTOQW-MSOLQXFVSA-N 1 3 360.502 2.005 20 0 FEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000246148851 549064081 /nfs/dbraw/zinc/06/40/81/549064081.db2.gz KBXCJJCZLVIKLZ-QZTJIDSGSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000246148851 549064085 /nfs/dbraw/zinc/06/40/85/549064085.db2.gz KBXCJJCZLVIKLZ-QZTJIDSGSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@H](CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000488412887 561389462 /nfs/dbraw/zinc/38/94/62/561389462.db2.gz DRWNBJXVIQSFBE-AKHDSKFASA-N 1 3 350.551 2.480 20 0 FEADHO CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000246448664 549135304 /nfs/dbraw/zinc/13/53/04/549135304.db2.gz VHRCMSNAVAEHBH-OAHLLOKOSA-N 1 3 360.502 2.053 20 0 FEADHO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000246448664 549135308 /nfs/dbraw/zinc/13/53/08/549135308.db2.gz VHRCMSNAVAEHBH-OAHLLOKOSA-N 1 3 360.502 2.053 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@H]2C[C@@H](C)O)CC1 ZINC000246594043 549170846 /nfs/dbraw/zinc/17/08/46/549170846.db2.gz GWLQFSDDJPMNLW-CTNGQTDRSA-N 1 3 373.541 2.265 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C[C@@H](C)O)CC1 ZINC000246594043 549170848 /nfs/dbraw/zinc/17/08/48/549170848.db2.gz GWLQFSDDJPMNLW-CTNGQTDRSA-N 1 3 373.541 2.265 20 0 FEADHO COC1(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC[NH2+]CC1 ZINC000246698653 549190994 /nfs/dbraw/zinc/19/09/94/549190994.db2.gz WBDSDZMIOUFSHT-HOCLYGCPSA-N 1 3 351.516 2.016 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000488946474 561400081 /nfs/dbraw/zinc/40/00/81/561400081.db2.gz FQFRKEQGUPOINX-TZIWHRDSSA-N 1 3 374.529 2.061 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000488946474 561400082 /nfs/dbraw/zinc/40/00/82/561400082.db2.gz FQFRKEQGUPOINX-TZIWHRDSSA-N 1 3 374.529 2.061 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000246933143 549245268 /nfs/dbraw/zinc/24/52/68/549245268.db2.gz HGXRHSFTRNBMIS-IRLDBZIGSA-N 1 3 373.589 2.299 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000247266272 549308514 /nfs/dbraw/zinc/30/85/14/549308514.db2.gz RXSGLJFUVPCBJQ-UYAOXDASSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000247266272 549308516 /nfs/dbraw/zinc/30/85/16/549308516.db2.gz RXSGLJFUVPCBJQ-UYAOXDASSA-N 1 3 374.529 2.253 20 0 FEADHO NC(=O)C1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000248403142 549429222 /nfs/dbraw/zinc/42/92/22/549429222.db2.gz OEWVRFZFDLPXOQ-XUVXKRRUSA-N 1 3 371.525 2.159 20 0 FEADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000489801526 561419335 /nfs/dbraw/zinc/41/93/35/561419335.db2.gz PCJGYDVNAFPLKI-GOSISDBHSA-N 1 3 362.493 2.068 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000252735175 549678718 /nfs/dbraw/zinc/67/87/18/549678718.db2.gz JDPMYYXKGQNQQE-LAUBAEHRSA-N 1 3 373.541 2.303 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000252735175 549678721 /nfs/dbraw/zinc/67/87/21/549678721.db2.gz JDPMYYXKGQNQQE-LAUBAEHRSA-N 1 3 373.541 2.303 20 0 FEADHO COCC1(CNC(=O)C2CCN(Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000261671845 549741594 /nfs/dbraw/zinc/74/15/94/549741594.db2.gz GLNVRUNVZWDMJX-UHFFFAOYSA-N 1 3 359.514 2.031 20 0 FEADHO C[C@@H]1CCCC[C@@H]1OCCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261939394 549772133 /nfs/dbraw/zinc/77/21/33/549772133.db2.gz XECKILSANDXTSI-HCXYKTFWSA-N 1 3 351.535 2.162 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)C2(C[NH3+])CCOCC2)CCN1Cc1ccccc1 ZINC000262068341 549785196 /nfs/dbraw/zinc/78/51/96/549785196.db2.gz BJWZCESEPPBECI-MJGOQNOKSA-N 1 3 359.514 2.253 20 0 FEADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262138587 549791680 /nfs/dbraw/zinc/79/16/80/549791680.db2.gz PGHNGIPHFNZSEG-NRFANRHFSA-N 1 3 367.541 2.336 20 0 FEADHO O=C(NC[C@@H]1CCCN(CCOc2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000262241871 549801461 /nfs/dbraw/zinc/80/14/61/549801461.db2.gz PDOOAZWKCTXNRO-MAUKXSAKSA-N 1 3 365.905 2.299 20 0 FEADHO CN1CCC[C@H](CNC(=O)C2(C[NH3+])CCOCC2)[C@@H]1c1cccs1 ZINC000262287791 549807307 /nfs/dbraw/zinc/80/73/07/549807307.db2.gz OLUSTPXHYYPXDF-GDBMZVCRSA-N 1 3 351.516 2.003 20 0 FEADHO [NH3+]Cc1ccc(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC000262669391 549837010 /nfs/dbraw/zinc/83/70/10/549837010.db2.gz MMLFNUCDGMSKSQ-UHFFFAOYSA-N 1 3 366.465 2.223 20 0 FEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262707540 549841438 /nfs/dbraw/zinc/84/14/38/549841438.db2.gz DQOYSXPUJIRQPD-RTBURBONSA-N 1 3 367.497 2.202 20 0 FEADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262811035 549852302 /nfs/dbraw/zinc/85/23/02/549852302.db2.gz QFSXIHUCIGERPW-QUCCMNQESA-N 1 3 367.497 2.375 20 0 FEADHO CCOc1ccccc1OCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000490962214 561440977 /nfs/dbraw/zinc/44/09/77/561440977.db2.gz DQPMSFZAKBLAJS-RTBURBONSA-N 1 3 361.530 2.422 20 0 FEADHO CCOc1ccccc1OCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000490962214 561440978 /nfs/dbraw/zinc/44/09/78/561440978.db2.gz DQPMSFZAKBLAJS-RTBURBONSA-N 1 3 361.530 2.422 20 0 FEADHO CC(C)[C@H](C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1)[NH+](C)C ZINC000268492184 550075425 /nfs/dbraw/zinc/07/54/25/550075425.db2.gz MHCHXCHNUGBPGT-LJQANCHMSA-N 1 3 365.493 2.371 20 0 FEADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(N2CCOCC2)c1 ZINC000268912138 550130820 /nfs/dbraw/zinc/13/08/20/550130820.db2.gz UCOVJFNWVOZGKC-IBGZPJMESA-N 1 3 360.546 2.201 20 0 FEADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CNC[C@H]3CCCO3)cc2)C1 ZINC000269277212 550175517 /nfs/dbraw/zinc/17/55/17/550175517.db2.gz XUDUTTLZTVGDIB-VQIMIIECSA-N 1 3 361.486 2.114 20 0 FEADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CNC[C@H]3CCCO3)cc2)C1 ZINC000269277212 550175519 /nfs/dbraw/zinc/17/55/19/550175519.db2.gz XUDUTTLZTVGDIB-VQIMIIECSA-N 1 3 361.486 2.114 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2c(=O)o1 ZINC000493957219 561460083 /nfs/dbraw/zinc/46/00/83/561460083.db2.gz GUBDKQDJOXVAIK-KRWDZBQOSA-N 1 3 371.481 2.281 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2c(=O)o1 ZINC000493957219 561460084 /nfs/dbraw/zinc/46/00/84/561460084.db2.gz GUBDKQDJOXVAIK-KRWDZBQOSA-N 1 3 371.481 2.281 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000494207961 561464564 /nfs/dbraw/zinc/46/45/64/561464564.db2.gz HVDWXNJLQXKTHW-QGZVFWFLSA-N 1 3 374.529 2.143 20 0 FEADHO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000271467714 550377666 /nfs/dbraw/zinc/37/76/66/550377666.db2.gz IMWHTKMHIOODFT-OAQYLSRUSA-N 1 3 369.509 2.325 20 0 FEADHO CN1CCN(CCCNC(=O)[C@@H]2CCCN2C2CC2)[C@H](c2ccccc2)C1 ZINC000494310601 561466813 /nfs/dbraw/zinc/46/68/13/561466813.db2.gz KNBWEYBKVFAPTK-SFTDATJTSA-N 1 3 370.541 2.108 20 0 FEADHO CN1CCN(CCCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[C@H](c2ccccc2)C1 ZINC000494310601 561466814 /nfs/dbraw/zinc/46/68/14/561466814.db2.gz KNBWEYBKVFAPTK-SFTDATJTSA-N 1 3 370.541 2.108 20 0 FEADHO CN1CCN(CCCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)[C@H](c2ccccc2)C1 ZINC000494310601 561466815 /nfs/dbraw/zinc/46/68/15/561466815.db2.gz KNBWEYBKVFAPTK-SFTDATJTSA-N 1 3 370.541 2.108 20 0 FEADHO C[C@H](NC(=O)NCC1=CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272559075 550457869 /nfs/dbraw/zinc/45/78/69/550457869.db2.gz RZTZHVMSORCWLS-FXAWDEMLSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@H](NC(=O)NCC1=CCN(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272559075 550457870 /nfs/dbraw/zinc/45/78/70/550457870.db2.gz RZTZHVMSORCWLS-FXAWDEMLSA-N 1 3 356.514 2.458 20 0 FEADHO Cn1cc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000272720381 550466664 /nfs/dbraw/zinc/46/66/64/550466664.db2.gz XIAQCCGIZSNZAY-MJUUVYJYSA-N 1 3 354.498 2.344 20 0 FEADHO Cn1cc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000272720381 550466665 /nfs/dbraw/zinc/46/66/65/550466665.db2.gz XIAQCCGIZSNZAY-MJUUVYJYSA-N 1 3 354.498 2.344 20 0 FEADHO Cn1cc([C@H](O)C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000272720381 550466667 /nfs/dbraw/zinc/46/66/67/550466667.db2.gz XIAQCCGIZSNZAY-MJUUVYJYSA-N 1 3 354.498 2.344 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000273233084 550490793 /nfs/dbraw/zinc/49/07/93/550490793.db2.gz OWTUINKABQLHAN-MRXNPFEDSA-N 1 3 361.530 2.426 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)Nc2ccccc2CC[NH+](C)C)CCCO1 ZINC000277458481 550672998 /nfs/dbraw/zinc/67/29/98/550672998.db2.gz MKFYXJLHTMRYBC-QGZVFWFLSA-N 1 3 362.518 2.413 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000494874072 561478215 /nfs/dbraw/zinc/47/82/15/561478215.db2.gz NEQMSLBXLODEDS-FGTMMUONSA-N 1 3 366.550 2.144 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000494874072 561478216 /nfs/dbraw/zinc/47/82/16/561478216.db2.gz NEQMSLBXLODEDS-FGTMMUONSA-N 1 3 366.550 2.144 20 0 FEADHO CCOCC[C@@H](O)C[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000277590869 550688763 /nfs/dbraw/zinc/68/87/63/550688763.db2.gz VRTBGFNAYLCSPQ-RTWAWAEBSA-N 1 3 364.530 2.151 20 0 FEADHO CCOCC[C@@H](O)C[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000277590869 550688765 /nfs/dbraw/zinc/68/87/65/550688765.db2.gz VRTBGFNAYLCSPQ-RTWAWAEBSA-N 1 3 364.530 2.151 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000277778394 550713064 /nfs/dbraw/zinc/71/30/64/550713064.db2.gz TWILFFJDDSVTQU-UHFFFAOYSA-N 1 3 374.529 2.301 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000278743423 550817181 /nfs/dbraw/zinc/81/71/81/550817181.db2.gz SAHXYXOSLYBGMR-FQEVSTJZSA-N 1 3 374.529 2.157 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000278743423 550817182 /nfs/dbraw/zinc/81/71/82/550817182.db2.gz SAHXYXOSLYBGMR-FQEVSTJZSA-N 1 3 374.529 2.157 20 0 FEADHO CCN(CC)[C@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccsc1 ZINC000278989893 550843956 /nfs/dbraw/zinc/84/39/56/550843956.db2.gz KXRZTBQEZGCITD-SUMWQHHRSA-N 1 3 361.515 2.361 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)[C@]34CCC[C@@H]3C[NH2+]C4)c(C)c2)CC1 ZINC000280817284 551035463 /nfs/dbraw/zinc/03/54/63/551035463.db2.gz MVTQPKIOPZOXAV-UTKZUKDTSA-N 1 3 356.514 2.465 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)C1 ZINC000497371736 561499587 /nfs/dbraw/zinc/49/95/87/561499587.db2.gz RDZCNQGQOFVWOT-XDNAFOTISA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)C1 ZINC000497371736 561499588 /nfs/dbraw/zinc/49/95/88/561499588.db2.gz RDZCNQGQOFVWOT-XDNAFOTISA-N 1 3 350.551 2.479 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@](C)(O)CCc3ccccc3)CC2)CC1 ZINC000283385990 551357837 /nfs/dbraw/zinc/35/78/37/551357837.db2.gz RWXNUHKBFPTVLX-QFIPXVFZSA-N 1 3 373.541 2.045 20 0 FEADHO COCCN1CC[C@H](NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000497852703 561509938 /nfs/dbraw/zinc/50/99/38/561509938.db2.gz KPXTYSGTVYMRRP-AOIWGVFYSA-N 1 3 362.518 2.006 20 0 FEADHO COCCN1CC[C@H](NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000497852705 561509994 /nfs/dbraw/zinc/50/99/94/561509994.db2.gz KPXTYSGTVYMRRP-LNLFQRSKSA-N 1 3 362.518 2.006 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000284496549 551562139 /nfs/dbraw/zinc/56/21/39/551562139.db2.gz BZPHCJMSKRONCK-VQIMIIECSA-N 1 3 362.518 2.329 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000284496549 551562141 /nfs/dbraw/zinc/56/21/41/551562141.db2.gz BZPHCJMSKRONCK-VQIMIIECSA-N 1 3 362.518 2.329 20 0 FEADHO C[C@@H](NC(=O)NCCNc1ccncc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498692353 561531999 /nfs/dbraw/zinc/53/19/99/561531999.db2.gz XSIGRDMSYOVFOS-IEBWSBKVSA-N 1 3 367.497 2.125 20 0 FEADHO C[C@@H](NC(=O)NCCNc1ccncc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498692353 561532000 /nfs/dbraw/zinc/53/20/00/561532000.db2.gz XSIGRDMSYOVFOS-IEBWSBKVSA-N 1 3 367.497 2.125 20 0 FEADHO C[C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)CCN1C ZINC000498894895 561537048 /nfs/dbraw/zinc/53/70/48/561537048.db2.gz WPCWANNFAGXOMY-FUHWJXTLSA-N 1 3 369.513 2.324 20 0 FEADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286373636 551880034 /nfs/dbraw/zinc/88/00/34/551880034.db2.gz ZSXQAMBOJCDKKO-GJZGRUSLSA-N 1 3 359.470 2.169 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000287587906 552022413 /nfs/dbraw/zinc/02/24/13/552022413.db2.gz KYABZLQMKAOIAB-SCTDSRPQSA-N 1 3 362.518 2.470 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000287858648 552055647 /nfs/dbraw/zinc/05/56/47/552055647.db2.gz MDPBZQMMDQPBKC-UHFFFAOYSA-N 1 3 369.513 2.278 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000288218821 552112794 /nfs/dbraw/zinc/11/27/94/552112794.db2.gz PFNPZTIYSBGQDZ-DNVCBOLYSA-N 1 3 360.502 2.248 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000288218821 552112795 /nfs/dbraw/zinc/11/27/95/552112795.db2.gz PFNPZTIYSBGQDZ-DNVCBOLYSA-N 1 3 360.502 2.248 20 0 FEADHO Cc1ccncc1CCC[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000289373135 552310091 /nfs/dbraw/zinc/31/00/91/552310091.db2.gz ZZJOOZYSSICBQZ-UHFFFAOYSA-N 1 3 354.498 2.404 20 0 FEADHO OCc1cn(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)nn1 ZINC000289610111 552349125 /nfs/dbraw/zinc/34/91/25/552349125.db2.gz DBCFXCZFCBYCLL-HLAWJBBLSA-N 1 3 369.513 2.051 20 0 FEADHO COCC[NH+](CCOC)C1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000295395297 552999685 /nfs/dbraw/zinc/99/96/85/552999685.db2.gz VPADVWMSWKVTNA-UHFFFAOYSA-N 1 3 363.546 2.178 20 0 FEADHO COc1cc(C)c(C[C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1OC ZINC000502250155 561614981 /nfs/dbraw/zinc/61/49/81/561614981.db2.gz DNSVWSPYHWHHPA-AEFFLSMTSA-N 1 3 350.503 2.380 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)N3CCN(C)CC[C@@H]3C)CCCC2)CC1 ZINC000502751168 561624642 /nfs/dbraw/zinc/62/46/42/561624642.db2.gz ZMGRFQZGZDTYGK-KRWDZBQOSA-N 1 3 366.550 2.146 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)c2)CC1 ZINC000296906064 553228069 /nfs/dbraw/zinc/22/80/69/553228069.db2.gz ORYNCJCFKJICKX-OAQYLSRUSA-N 1 3 371.529 2.388 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)c2)CC1 ZINC000296906064 553228071 /nfs/dbraw/zinc/22/80/71/553228071.db2.gz ORYNCJCFKJICKX-OAQYLSRUSA-N 1 3 371.529 2.388 20 0 FEADHO CCCN(CCN1CCCCC1)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000502901503 561629382 /nfs/dbraw/zinc/62/93/82/561629382.db2.gz HZORKNRZSPTHQH-IBGZPJMESA-N 1 3 368.566 2.395 20 0 FEADHO CCCN(CCN1CCCCC1)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000502901503 561629383 /nfs/dbraw/zinc/62/93/83/561629383.db2.gz HZORKNRZSPTHQH-IBGZPJMESA-N 1 3 368.566 2.395 20 0 FEADHO CN1CCN(CCOc2ccc(NC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000297786151 553338717 /nfs/dbraw/zinc/33/87/17/553338717.db2.gz MXUNTVWWDHLWLX-UHFFFAOYSA-N 1 3 358.530 2.352 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000299422673 553560983 /nfs/dbraw/zinc/56/09/83/553560983.db2.gz UPVOSWSPMSFCAW-FKPGQJDZSA-N 1 3 359.514 2.028 20 0 FEADHO CC(=O)c1ccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000299476150 553568464 /nfs/dbraw/zinc/56/84/64/553568464.db2.gz XGJCJJNJVCIUBP-UHFFFAOYSA-N 1 3 357.498 2.107 20 0 FEADHO CCc1nc(CC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cs1 ZINC000505737156 561678799 /nfs/dbraw/zinc/67/87/99/561678799.db2.gz DXBWCAGFFCEUJS-INIZCTEOSA-N 1 3 352.548 2.123 20 0 FEADHO CCc1nc(CC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cs1 ZINC000505737156 561678800 /nfs/dbraw/zinc/67/88/00/561678800.db2.gz DXBWCAGFFCEUJS-INIZCTEOSA-N 1 3 352.548 2.123 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1c(C)nn(C)c1C ZINC000505800114 561681259 /nfs/dbraw/zinc/68/12/59/561681259.db2.gz AHTWEDRJACBELZ-CRAIPNDOSA-N 1 3 363.550 2.015 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1c(C)nn(C)c1C ZINC000505800114 561681260 /nfs/dbraw/zinc/68/12/60/561681260.db2.gz AHTWEDRJACBELZ-CRAIPNDOSA-N 1 3 363.550 2.015 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)n1nc(C)cc1C ZINC000505822612 561681963 /nfs/dbraw/zinc/68/19/63/561681963.db2.gz AWQCDDQEIKFYHD-RTBURBONSA-N 1 3 363.550 2.326 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)n1nc(C)cc1C ZINC000505822612 561681965 /nfs/dbraw/zinc/68/19/65/561681965.db2.gz AWQCDDQEIKFYHD-RTBURBONSA-N 1 3 363.550 2.326 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC3(C)CC[NH+](C)CC3)cc2)CC1 ZINC000507861940 561743770 /nfs/dbraw/zinc/74/37/70/561743770.db2.gz SUNWRJCPXLRXPJ-UHFFFAOYSA-N 1 3 358.530 2.290 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)NC[C@H]1CCCN1C)c1ccccc1 ZINC000509784379 561813816 /nfs/dbraw/zinc/81/38/16/561813816.db2.gz WHNQXBQDXCAKQV-MOPGFXCFSA-N 1 3 362.518 2.089 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)NC[C@H]1CCCN1C)c1ccccc1 ZINC000509784379 561813817 /nfs/dbraw/zinc/81/38/17/561813817.db2.gz WHNQXBQDXCAKQV-MOPGFXCFSA-N 1 3 362.518 2.089 20 0 FEADHO CCCn1nccc1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000510676204 561843113 /nfs/dbraw/zinc/84/31/13/561843113.db2.gz TZRVGDINTNXPHY-INIZCTEOSA-N 1 3 350.511 2.173 20 0 FEADHO CCCn1nccc1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000510676204 561843114 /nfs/dbraw/zinc/84/31/14/561843114.db2.gz TZRVGDINTNXPHY-INIZCTEOSA-N 1 3 350.511 2.173 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)CC1 ZINC000333119259 554575113 /nfs/dbraw/zinc/57/51/13/554575113.db2.gz HXFUPEWNMKNDTC-IJXRJRJASA-N 1 3 365.562 2.239 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000333159663 554581545 /nfs/dbraw/zinc/58/15/45/554581545.db2.gz GGBGJLKXVRQQJI-UHFFFAOYSA-N 1 3 366.550 2.051 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000333400888 554609683 /nfs/dbraw/zinc/60/96/83/554609683.db2.gz PYAGJHJBLDORJT-XZEJUNMKSA-N 1 3 356.514 2.276 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000333400889 554609689 /nfs/dbraw/zinc/60/96/89/554609689.db2.gz PYAGJHJBLDORJT-ZKIDJSGLSA-N 1 3 356.514 2.276 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NCC2(N3CCSCC3)CCCCC2)CC[NH2+]1 ZINC000333437339 554613135 /nfs/dbraw/zinc/61/31/35/554613135.db2.gz VNUQNYWFRPDSHY-CVEARBPZSA-N 1 3 354.564 2.178 20 0 FEADHO CC[NH+](CC)CC1CCN(CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000511152517 561859451 /nfs/dbraw/zinc/85/94/51/561859451.db2.gz ZPDXYNLHXFLZDE-UHFFFAOYSA-N 1 3 359.514 2.429 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361501929 554922276 /nfs/dbraw/zinc/92/22/76/554922276.db2.gz BPBZEUXVQIACEX-UHOSZYNNSA-N 1 3 357.498 2.183 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361501929 554922279 /nfs/dbraw/zinc/92/22/79/554922279.db2.gz BPBZEUXVQIACEX-UHOSZYNNSA-N 1 3 357.498 2.183 20 0 FEADHO C[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000361516283 554923088 /nfs/dbraw/zinc/92/30/88/554923088.db2.gz WDEQLEXGAFDSOV-FQEVSTJZSA-N 1 3 373.545 2.325 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)CC1 ZINC000511762217 561880113 /nfs/dbraw/zinc/88/01/13/561880113.db2.gz KUJCBPISNVGPEA-NJDAHSKKSA-N 1 3 371.525 2.091 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000363247989 555063062 /nfs/dbraw/zinc/06/30/62/555063062.db2.gz YVSFDLUTWHWNAU-SFHVURJKSA-N 1 3 360.502 2.007 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000363247989 555063063 /nfs/dbraw/zinc/06/30/63/555063063.db2.gz YVSFDLUTWHWNAU-SFHVURJKSA-N 1 3 360.502 2.007 20 0 FEADHO COCC[N@H+](C)CCCNC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000363250277 555063392 /nfs/dbraw/zinc/06/33/92/555063392.db2.gz LPOMCVRNUSXTRS-WBVHZDCISA-N 1 3 368.547 2.008 20 0 FEADHO COCC[N@@H+](C)CCCNC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000363250277 555063393 /nfs/dbraw/zinc/06/33/93/555063393.db2.gz LPOMCVRNUSXTRS-WBVHZDCISA-N 1 3 368.547 2.008 20 0 FEADHO CN(C)C(=O)c1ccc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000363874218 555204372 /nfs/dbraw/zinc/20/43/72/555204372.db2.gz HFDXGUSRTRWGOJ-UHFFFAOYSA-N 1 3 355.486 2.460 20 0 FEADHO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000364036188 555237791 /nfs/dbraw/zinc/23/77/91/555237791.db2.gz JASCSQIPIYFKCH-GOEBONIOSA-N 1 3 362.474 2.283 20 0 FEADHO COC(=O)c1ccnc(N2CCC[N@H+](CC[C@@H]3CCCCN3C)CC2)c1 ZINC000364407226 555307494 /nfs/dbraw/zinc/30/74/94/555307494.db2.gz HYBCFVROQZDTDP-SFHVURJKSA-N 1 3 360.502 2.255 20 0 FEADHO COC(=O)c1ccnc(N2CCC[N@@H+](CC[C@@H]3CCCCN3C)CC2)c1 ZINC000364407226 555307495 /nfs/dbraw/zinc/30/74/95/555307495.db2.gz HYBCFVROQZDTDP-SFHVURJKSA-N 1 3 360.502 2.255 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CCC([NH2+]C2CCCC2)CC1)c1ccccc1 ZINC000364923329 555439233 /nfs/dbraw/zinc/43/92/33/555439233.db2.gz ZHACEYBHYXORMX-NRFANRHFSA-N 1 3 372.557 2.402 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000365321748 555541791 /nfs/dbraw/zinc/54/17/91/555541791.db2.gz HSDFTMIFJZIQLV-VAMGGRTRSA-N 1 3 356.514 2.244 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000365321748 555541794 /nfs/dbraw/zinc/54/17/94/555541794.db2.gz HSDFTMIFJZIQLV-VAMGGRTRSA-N 1 3 356.514 2.244 20 0 FEADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)[C@@H]1C ZINC000366304601 555807199 /nfs/dbraw/zinc/80/71/99/555807199.db2.gz HZIQUAZTRIXAKK-GJYPPUQNSA-N 1 3 351.535 2.112 20 0 FEADHO C[N@@H+]1CC[C@H](NCCN2CCN(c3ccc(F)cc3)CC2)[C@H]2CCC[C@H]21 ZINC000514090687 561959963 /nfs/dbraw/zinc/95/99/63/561959963.db2.gz WEKSRMKHUBJMNS-QHAWAJNXSA-N 1 3 360.521 2.410 20 0 FEADHO C[N@H+]1CC[C@H](NCCN2CCN(c3ccc(F)cc3)CC2)[C@H]2CCC[C@H]21 ZINC000514090687 561959965 /nfs/dbraw/zinc/95/99/65/561959965.db2.gz WEKSRMKHUBJMNS-QHAWAJNXSA-N 1 3 360.521 2.410 20 0 FEADHO CSc1ccc(OC[C@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000514597623 561968654 /nfs/dbraw/zinc/96/86/54/561968654.db2.gz VCINTPMYIJOHOD-IAGOWNOFSA-N 1 3 368.543 2.239 20 0 FEADHO CSc1ccc(OC[C@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000514597623 561968655 /nfs/dbraw/zinc/96/86/55/561968655.db2.gz VCINTPMYIJOHOD-IAGOWNOFSA-N 1 3 368.543 2.239 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000367403800 556039760 /nfs/dbraw/zinc/03/97/60/556039760.db2.gz CNMMGTVJIKEZGO-LJQANCHMSA-N 1 3 356.514 2.041 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000367403800 556039762 /nfs/dbraw/zinc/03/97/62/556039762.db2.gz CNMMGTVJIKEZGO-LJQANCHMSA-N 1 3 356.514 2.041 20 0 FEADHO Cc1nc2sccn2c(=O)c1CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000367554853 556082046 /nfs/dbraw/zinc/08/20/46/556082046.db2.gz XFYFKGOVQAIXQB-UHFFFAOYSA-N 1 3 360.527 2.415 20 0 FEADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000367625411 556099626 /nfs/dbraw/zinc/09/96/26/556099626.db2.gz XYFNINOKITZYLL-LJQANCHMSA-N 1 3 367.497 2.403 20 0 FEADHO O=C(Nc1cccc2c1CCNC2)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000515046684 561993630 /nfs/dbraw/zinc/99/36/30/561993630.db2.gz VXLVIXNOOSBHBS-VQTJNVASSA-N 1 3 372.513 2.222 20 0 FEADHO C[C@H]1CCCN(CCNC(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000368954517 556458123 /nfs/dbraw/zinc/45/81/23/556458123.db2.gz JIAMSYDALXUICY-KRWDZBQOSA-N 1 3 359.518 2.424 20 0 FEADHO CCCN1CCN(C2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC000369156987 556520550 /nfs/dbraw/zinc/52/05/50/556520550.db2.gz QJYTUTSRYQAOSG-UHFFFAOYSA-N 1 3 351.457 2.447 20 0 FEADHO CC1CC[NH+](CCNC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000369219315 556538995 /nfs/dbraw/zinc/53/89/95/556538995.db2.gz DFNDWPZIXRTDIZ-HXUWFJFHSA-N 1 3 373.545 2.325 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369233297 556543433 /nfs/dbraw/zinc/54/34/33/556543433.db2.gz SSDXMEOPIJZRSO-ZCNNSNEGSA-N 1 3 371.529 2.220 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369233297 556543435 /nfs/dbraw/zinc/54/34/35/556543435.db2.gz SSDXMEOPIJZRSO-ZCNNSNEGSA-N 1 3 371.529 2.220 20 0 FEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000369305446 556569735 /nfs/dbraw/zinc/56/97/35/556569735.db2.gz CHPCZAHGCJGUPX-WDSOQIARSA-N 1 3 374.529 2.278 20 0 FEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000369305445 556569830 /nfs/dbraw/zinc/56/98/30/556569830.db2.gz CHPCZAHGCJGUPX-UHOSZYNNSA-N 1 3 374.529 2.278 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000369869689 556717886 /nfs/dbraw/zinc/71/78/86/556717886.db2.gz BERZSZBXJSVAKW-MRXNPFEDSA-N 1 3 350.532 2.496 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000369869689 556717889 /nfs/dbraw/zinc/71/78/89/556717889.db2.gz BERZSZBXJSVAKW-MRXNPFEDSA-N 1 3 350.532 2.496 20 0 FEADHO CC(C)CC(=O)N1CCC(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000370177309 556803706 /nfs/dbraw/zinc/80/37/06/556803706.db2.gz YBZXQYHRAINKOZ-XUVXKRRUSA-N 1 3 365.562 2.455 20 0 FEADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nccn1-c1ccccc1 ZINC000516675133 562054012 /nfs/dbraw/zinc/05/40/12/562054012.db2.gz KXJQAUBTZRSRRJ-KRWDZBQOSA-N 1 3 372.517 2.068 20 0 FEADHO O=C(NC1CCN(CCc2ccncc2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000370778245 556965516 /nfs/dbraw/zinc/96/55/16/556965516.db2.gz DSZYOEFTXWWXBH-SXLOBPIMSA-N 1 3 356.514 2.125 20 0 FEADHO C[C@H](C[C@@H](C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)NC(=O)OC(C)(C)C ZINC000371336678 557152126 /nfs/dbraw/zinc/15/21/26/557152126.db2.gz QIDVJLTZRNWGPF-ZACQAIPSSA-N 1 3 368.566 2.436 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000518106196 562104551 /nfs/dbraw/zinc/10/45/51/562104551.db2.gz OFIHPKVPQBXQPZ-CALCHBBNSA-N 1 3 368.566 2.438 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000518106196 562104552 /nfs/dbraw/zinc/10/45/52/562104552.db2.gz OFIHPKVPQBXQPZ-CALCHBBNSA-N 1 3 368.566 2.438 20 0 FEADHO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000371605456 557237384 /nfs/dbraw/zinc/23/73/84/557237384.db2.gz QEWNLMQIPBZPMK-RBUKOAKNSA-N 1 3 359.518 2.077 20 0 FEADHO CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000371605456 557237388 /nfs/dbraw/zinc/23/73/88/557237388.db2.gz QEWNLMQIPBZPMK-RBUKOAKNSA-N 1 3 359.518 2.077 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000371687720 557263054 /nfs/dbraw/zinc/26/30/54/557263054.db2.gz ZTPDVWYBZDOLSW-QGTPRVQTSA-N 1 3 359.470 2.407 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000371687720 557263058 /nfs/dbraw/zinc/26/30/58/557263058.db2.gz ZTPDVWYBZDOLSW-QGTPRVQTSA-N 1 3 359.470 2.407 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000518628869 562115618 /nfs/dbraw/zinc/11/56/18/562115618.db2.gz QFCPTEKGXJFQPW-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000372081204 557374610 /nfs/dbraw/zinc/37/46/10/557374610.db2.gz XNPVXLFHLOBUTD-GOSISDBHSA-N 1 3 363.546 2.497 20 0 FEADHO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000372081204 557374612 /nfs/dbraw/zinc/37/46/12/557374612.db2.gz XNPVXLFHLOBUTD-GOSISDBHSA-N 1 3 363.546 2.497 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000372464001 557477426 /nfs/dbraw/zinc/47/74/26/557477426.db2.gz OPFALBKMGKHEJH-NHAYFPRASA-N 1 3 351.535 2.147 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000372464001 557477429 /nfs/dbraw/zinc/47/74/29/557477429.db2.gz OPFALBKMGKHEJH-NHAYFPRASA-N 1 3 351.535 2.147 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@H]2Cc3ccccc3O2)CC1 ZINC000372785688 557562039 /nfs/dbraw/zinc/56/20/39/557562039.db2.gz HLSWJJMUJPZZQD-LJQANCHMSA-N 1 3 373.541 2.406 20 0 FEADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000519753821 562142598 /nfs/dbraw/zinc/14/25/98/562142598.db2.gz FYLCSXNPKPHHDL-YSIASYRMSA-N 1 3 356.514 2.196 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000372987088 557604346 /nfs/dbraw/zinc/60/43/46/557604346.db2.gz ZJRDBHONTWISLM-LJQANCHMSA-N 1 3 351.535 2.401 20 0 FEADHO C[C@@H](CCS(C)(=O)=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000373218370 557651929 /nfs/dbraw/zinc/65/19/29/557651929.db2.gz UKGANYBAYQYZIP-DOTOQJQBSA-N 1 3 366.527 2.387 20 0 FEADHO C[C@H](CCS(C)(=O)=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000373218371 557652018 /nfs/dbraw/zinc/65/20/18/557652018.db2.gz UKGANYBAYQYZIP-NVXWUHKLSA-N 1 3 366.527 2.387 20 0 FEADHO O=C(C1CCN(C2CC2)CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373457984 557697726 /nfs/dbraw/zinc/69/77/26/557697726.db2.gz GNUZGQQQWXVQFN-BGYRXZFFSA-N 1 3 353.510 2.451 20 0 FEADHO O=C(C1CCN(C2CC2)CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373457984 557697727 /nfs/dbraw/zinc/69/77/27/557697727.db2.gz GNUZGQQQWXVQFN-BGYRXZFFSA-N 1 3 353.510 2.451 20 0 FEADHO CN(C[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CC1 ZINC000520292068 562152681 /nfs/dbraw/zinc/15/26/81/562152681.db2.gz OLWMNCJEIFURIS-BVSLBCMMSA-N 1 3 357.542 2.428 20 0 FEADHO CN(C[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC1 ZINC000520292068 562152682 /nfs/dbraw/zinc/15/26/82/562152682.db2.gz OLWMNCJEIFURIS-BVSLBCMMSA-N 1 3 357.542 2.428 20 0 FEADHO Fc1ccc([C@H](NC2CCC([NH+]3CCNCC3)CC2)c2ncc[nH]2)cc1 ZINC000520565578 562159106 /nfs/dbraw/zinc/15/91/06/562159106.db2.gz OBHAKKZWIAFLTA-ACBHZAAOSA-N 1 3 357.477 2.444 20 0 FEADHO Fc1ccc([C@H](NC2CCC(N3CC[NH2+]CC3)CC2)c2ncc[nH]2)cc1 ZINC000520565578 562159107 /nfs/dbraw/zinc/15/91/07/562159107.db2.gz OBHAKKZWIAFLTA-ACBHZAAOSA-N 1 3 357.477 2.444 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]4CC[N@H+](C)[C@@H]4C3)cc2)CC1 ZINC000375062801 557972153 /nfs/dbraw/zinc/97/21/53/557972153.db2.gz CFCYCVFTRMGWID-GHTZIAJQSA-N 1 3 370.541 2.383 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]4CC[N@@H+](C)[C@@H]4C3)cc2)CC1 ZINC000375062801 557972155 /nfs/dbraw/zinc/97/21/55/557972155.db2.gz CFCYCVFTRMGWID-GHTZIAJQSA-N 1 3 370.541 2.383 20 0 FEADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000375130096 557981605 /nfs/dbraw/zinc/98/16/05/557981605.db2.gz YLRJONGQXIIMJP-KZNAEPCWSA-N 1 3 351.535 2.291 20 0 FEADHO COC(=O)[C@]12C[N@H+](CCCN3CCN(C(C)C)CC3)C[C@H]1CCCC2 ZINC000375291008 558005118 /nfs/dbraw/zinc/00/51/18/558005118.db2.gz DUZSIRRAEYJPQV-UYAOXDASSA-N 1 3 351.535 2.068 20 0 FEADHO COC(=O)[C@]12C[N@@H+](CCCN3CCN(C(C)C)CC3)C[C@H]1CCCC2 ZINC000375291008 558005120 /nfs/dbraw/zinc/00/51/20/558005120.db2.gz DUZSIRRAEYJPQV-UYAOXDASSA-N 1 3 351.535 2.068 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CCC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000376912612 558238150 /nfs/dbraw/zinc/23/81/50/558238150.db2.gz YAGKJRSGMRGICR-LEWJYISDSA-N 1 3 372.557 2.356 20 0 FEADHO CC[NH+]1CCC(N(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C2CC2)CC1 ZINC000376921219 558239556 /nfs/dbraw/zinc/23/95/56/558239556.db2.gz CPMXXFIFQXGRSY-NRFANRHFSA-N 1 3 372.557 2.354 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000377202185 558287114 /nfs/dbraw/zinc/28/71/14/558287114.db2.gz SRMYAOWQCVBLKO-JZJXAQOMSA-N 1 3 367.493 2.488 20 0 FEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(C3CCOCC3)CC2)C1 ZINC000377759756 558413661 /nfs/dbraw/zinc/41/36/61/558413661.db2.gz GUCMURROHGJROM-SFHVURJKSA-N 1 3 366.550 2.003 20 0 FEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCCN(C3CCOCC3)CC2)C1 ZINC000377759756 558413665 /nfs/dbraw/zinc/41/36/65/558413665.db2.gz GUCMURROHGJROM-SFHVURJKSA-N 1 3 366.550 2.003 20 0 FEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000378112663 558484026 /nfs/dbraw/zinc/48/40/26/558484026.db2.gz OGZYYGCUNZUFMA-FCGDIQPGSA-N 1 3 368.566 2.295 20 0 FEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000378112663 558484028 /nfs/dbraw/zinc/48/40/28/558484028.db2.gz OGZYYGCUNZUFMA-FCGDIQPGSA-N 1 3 368.566 2.295 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)C[C@H]1CSCCN1 ZINC000378208660 558502851 /nfs/dbraw/zinc/50/28/51/558502851.db2.gz UUPRTECYMSFZPK-NEWSRXKRSA-N 1 3 361.555 2.451 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)C[C@H]1CSCCN1 ZINC000378208660 558502853 /nfs/dbraw/zinc/50/28/53/558502853.db2.gz UUPRTECYMSFZPK-NEWSRXKRSA-N 1 3 361.555 2.451 20 0 FEADHO CN1CC[NH+](C[C@@H]2CCCN(C[C@H](O)c3ccc(Cl)cc3)C2)CC1 ZINC000378433099 558555847 /nfs/dbraw/zinc/55/58/47/558555847.db2.gz IYWULHMQAUQNFM-LPHOPBHVSA-N 1 3 351.922 2.333 20 0 FEADHO CN1CC[C@H]2CCN(C(=O)NCc3ccc(OCCC[NH+](C)C)cc3)C[C@H]21 ZINC000378448579 558560032 /nfs/dbraw/zinc/56/00/32/558560032.db2.gz CPZLXCPQWKAUBK-AZUAARDMSA-N 1 3 374.529 2.253 20 0 FEADHO COC[C@@H](C)OC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390871838 558612416 /nfs/dbraw/zinc/61/24/16/558612416.db2.gz JYMNXJJCAWDXKC-ZMWHVPEISA-N 1 3 362.514 2.184 20 0 FEADHO COC[C@@H](C)OC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390871838 558612420 /nfs/dbraw/zinc/61/24/20/558612420.db2.gz JYMNXJJCAWDXKC-ZMWHVPEISA-N 1 3 362.514 2.184 20 0 FEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000525775965 562254542 /nfs/dbraw/zinc/25/45/42/562254542.db2.gz ABBLKHWEKOCTKQ-WOJBJXKFSA-N 1 3 358.530 2.484 20 0 FEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000525775965 562254543 /nfs/dbraw/zinc/25/45/43/562254543.db2.gz ABBLKHWEKOCTKQ-WOJBJXKFSA-N 1 3 358.530 2.484 20 0 FEADHO O=C(NC[C@H]1CCCCN1C1CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412294415 559025549 /nfs/dbraw/zinc/02/55/49/559025549.db2.gz ROSFZISSBQPWSL-MSOLQXFVSA-N 1 3 351.560 2.337 20 0 FEADHO COc1ccccc1C[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414186301 559151952 /nfs/dbraw/zinc/15/19/52/559151952.db2.gz HKDQTBMNQWBJGT-GOSISDBHSA-N 1 3 361.530 2.012 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000414699348 559180948 /nfs/dbraw/zinc/18/09/48/559180948.db2.gz YFTHICZNHKIBCI-IRXDYDNUSA-N 1 3 374.529 2.219 20 0 FEADHO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414731424 559182965 /nfs/dbraw/zinc/18/29/65/559182965.db2.gz BSYNZGWKSJSWOR-GLJUWKHASA-N 1 3 353.894 2.203 20 0 FEADHO Cc1cccc(NC(=O)CN2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1C ZINC000414746836 559184475 /nfs/dbraw/zinc/18/44/75/559184475.db2.gz ZWGDINRRNNPRLY-IEBWSBKVSA-N 1 3 358.530 2.248 20 0 FEADHO C[C@H]1C[C@@H](CN(C)CCCOc2cccc(S(C)(=O)=O)c2)CC[NH2+]1 ZINC000414754432 559185212 /nfs/dbraw/zinc/18/52/12/559185212.db2.gz XXUGYTWUEMOMRC-HOTGVXAUSA-N 1 3 354.516 2.179 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1 ZINC000414756558 559185507 /nfs/dbraw/zinc/18/55/07/559185507.db2.gz QXNJMNSBQMLXRH-BRWVUGGUSA-N 1 3 374.529 2.217 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000414844340 559190554 /nfs/dbraw/zinc/19/05/54/559190554.db2.gz CTBLDSNTNLHKML-HOTGVXAUSA-N 1 3 360.502 2.114 20 0 FEADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)CC2 ZINC000414916725 559195065 /nfs/dbraw/zinc/19/50/65/559195065.db2.gz QERJYZPKJCFXOP-QGTPRVQTSA-N 1 3 358.486 2.119 20 0 FEADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000527099099 562276408 /nfs/dbraw/zinc/27/64/08/562276408.db2.gz JNILYZIRYIFXNX-OAQYLSRUSA-N 1 3 370.545 2.335 20 0 FEADHO C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415068597 559203709 /nfs/dbraw/zinc/20/37/09/559203709.db2.gz NFLDZUYFVSPCSE-LJQANCHMSA-N 1 3 362.543 2.481 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000415084680 559204632 /nfs/dbraw/zinc/20/46/32/559204632.db2.gz PFLAUCMVRMUWST-MLGOLLRUSA-N 1 3 366.303 2.223 20 0 FEADHO COc1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc2c1OCCO2 ZINC000415122829 559206432 /nfs/dbraw/zinc/20/64/32/559206432.db2.gz ISCJDAKMSDPRNV-VQIMIIECSA-N 1 3 362.470 2.185 20 0 FEADHO CN(C)c1ncc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)s1 ZINC000415134285 559207334 /nfs/dbraw/zinc/20/73/34/559207334.db2.gz OMFPOASZPRJFFP-UHFFFAOYSA-N 1 3 359.543 2.292 20 0 FEADHO CC(C)C[C@H](CN)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415426726 559235197 /nfs/dbraw/zinc/23/51/97/559235197.db2.gz MFUYFGIGLHDFTA-LJQANCHMSA-N 1 3 374.529 2.143 20 0 FEADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000415670943 559260366 /nfs/dbraw/zinc/26/03/66/559260366.db2.gz CDZKULOCIFSECF-KRWDZBQOSA-N 1 3 372.513 2.198 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)CN2CCN(CC)CC2)c1 ZINC000415911573 559282323 /nfs/dbraw/zinc/28/23/23/559282323.db2.gz YHKOTKUPQNHSNK-QGZVFWFLSA-N 1 3 361.534 2.191 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)c1 ZINC000415925350 559282938 /nfs/dbraw/zinc/28/29/38/559282938.db2.gz XUWQVYWYXDZNME-UHFFFAOYSA-N 1 3 361.534 2.334 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000415928445 559283161 /nfs/dbraw/zinc/28/31/61/559283161.db2.gz FKTGYMYVWNQPIN-KRWDZBQOSA-N 1 3 373.545 2.428 20 0 FEADHO C[NH2+]Cc1cccc(NC(=O)NCc2ccnc(OCCN(C)C)c2)c1 ZINC000415940238 559283566 /nfs/dbraw/zinc/28/35/66/559283566.db2.gz DSILMZPDMXBPFA-UHFFFAOYSA-N 1 3 357.458 2.063 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000415990869 559287520 /nfs/dbraw/zinc/28/75/20/559287520.db2.gz DOZBJVPJPBPDPN-YUELXQCFSA-N 1 3 358.408 2.401 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416169746 559296136 /nfs/dbraw/zinc/29/61/36/559296136.db2.gz GUKQBECBUJINJG-OAQYLSRUSA-N 1 3 373.541 2.394 20 0 FEADHO CN(C)CCOc1cnccc1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416234936 559300201 /nfs/dbraw/zinc/30/02/01/559300201.db2.gz QQZAVFLUYZVGBW-LJQANCHMSA-N 1 3 370.497 2.331 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000416917726 559338249 /nfs/dbraw/zinc/33/82/49/559338249.db2.gz ILGBSBICMHNPFR-APWZRJJASA-N 1 3 362.518 2.377 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN[C@@H](C)[C@H]1C)c1cccc(OC)c1 ZINC000416918898 559338281 /nfs/dbraw/zinc/33/82/81/559338281.db2.gz JOVHAQQSEPXETC-FRQCXROJSA-N 1 3 362.518 2.470 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NC3CCN(CCc4ccccc4)CC3)C[C@H]21 ZINC000416970331 559340857 /nfs/dbraw/zinc/34/08/57/559340857.db2.gz DZLFECYWSDXTJP-CEWLAPEOSA-N 1 3 370.541 2.462 20 0 FEADHO COCC[N@H+](C)CCCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000417091039 559347359 /nfs/dbraw/zinc/34/73/59/559347359.db2.gz IWEDCJZQZPKYID-LJQANCHMSA-N 1 3 358.486 2.107 20 0 FEADHO COCC[N@@H+](C)CCCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000417091039 559347360 /nfs/dbraw/zinc/34/73/60/559347360.db2.gz IWEDCJZQZPKYID-LJQANCHMSA-N 1 3 358.486 2.107 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NCCCCN2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000417159856 559350514 /nfs/dbraw/zinc/35/05/14/559350514.db2.gz XRRZGOMTWOTTMH-OALUTQOASA-N 1 3 373.545 2.029 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3CCCC[C@@H]3C[NH3+])CC2)cc1 ZINC000417335556 559358112 /nfs/dbraw/zinc/35/81/12/559358112.db2.gz SVAQQMYPFWJKCZ-LJQANCHMSA-N 1 3 374.529 2.430 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000417495930 559364584 /nfs/dbraw/zinc/36/45/84/559364584.db2.gz VQZYNIGCTYUKSH-OALUTQOASA-N 1 3 362.518 2.137 20 0 FEADHO C[C@@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)N(C)Cc1ccccc1 ZINC000417575976 559367264 /nfs/dbraw/zinc/36/72/64/559367264.db2.gz GXYOIFRSQMCIIN-KRWDZBQOSA-N 1 3 362.518 2.046 20 0 FEADHO C[C@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000417590165 559368313 /nfs/dbraw/zinc/36/83/13/559368313.db2.gz HHZNHJFVRBCUTB-PKOBYXMFSA-N 1 3 374.529 2.349 20 0 FEADHO CN(C(=O)NCc1ccc(OCCN2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000417597623 559368795 /nfs/dbraw/zinc/36/87/95/559368795.db2.gz UTFWWMNXFDHDKP-UHFFFAOYSA-N 1 3 360.502 2.055 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417623471 559369397 /nfs/dbraw/zinc/36/93/97/559369397.db2.gz IYPFIUWCUHYJPZ-SFHVURJKSA-N 1 3 366.575 2.133 20 0 FEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000417696895 559372914 /nfs/dbraw/zinc/37/29/14/559372914.db2.gz VXHVSKMYEPQXFA-BBRMVZONSA-N 1 3 354.445 2.494 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000417944760 559383014 /nfs/dbraw/zinc/38/30/14/559383014.db2.gz WSTMIHOKFKUJGS-MDZRGWNJSA-N 1 3 359.518 2.376 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418008651 559386365 /nfs/dbraw/zinc/38/63/65/559386365.db2.gz HHFVARQMIUYHIA-YFVAEKQCSA-N 1 3 356.514 2.292 20 0 FEADHO COC[C@]1(CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CCC[NH2+]1 ZINC000418047301 559387905 /nfs/dbraw/zinc/38/79/05/559387905.db2.gz SCIFCTPXUKZOEQ-LEWJYISDSA-N 1 3 374.529 2.109 20 0 FEADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418069741 559388891 /nfs/dbraw/zinc/38/88/91/559388891.db2.gz FURSVKXFNLOMRI-IEBWSBKVSA-N 1 3 362.518 2.094 20 0 FEADHO CCCN(C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CC[NH2+]C1 ZINC000418072125 559389001 /nfs/dbraw/zinc/38/90/01/559389001.db2.gz JWEHXVRPCUPDPI-VQTJNVASSA-N 1 3 374.529 2.061 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C1CC1 ZINC000418128192 559391174 /nfs/dbraw/zinc/39/11/74/559391174.db2.gz ACQFHAFOEYALIN-VQTJNVASSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)N2CCC(OCCC[NH3+])CC2)CCN1Cc1ccccc1 ZINC000418184809 559393285 /nfs/dbraw/zinc/39/32/85/559393285.db2.gz ACWOMPCEXAPNBL-XLIONFOSSA-N 1 3 374.529 2.189 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)N(C)C)cc1 ZINC000418228594 559394754 /nfs/dbraw/zinc/39/47/54/559394754.db2.gz DZEAHAZKUBGBDK-XKQJLSEDSA-N 1 3 350.532 2.308 20 0 FEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000418352684 559398626 /nfs/dbraw/zinc/39/86/26/559398626.db2.gz MZVRANAUPCVMPE-RBUKOAKNSA-N 1 3 374.529 2.207 20 0 FEADHO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418405137 559400358 /nfs/dbraw/zinc/40/03/58/559400358.db2.gz AVXRKBUKMNYGIN-DQKSBWHRSA-N 1 3 368.525 2.433 20 0 FEADHO C[C@H](C[NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418472237 559403071 /nfs/dbraw/zinc/40/30/71/559403071.db2.gz NLDGJZKXAMYXNR-CYBMUJFWSA-N 1 3 371.323 2.117 20 0 FEADHO O=C(NCCC1=CC[NH2+]CC1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000418604539 559407572 /nfs/dbraw/zinc/40/75/72/559407572.db2.gz RAHZVDIZHOYBQN-LEWJYISDSA-N 1 3 368.525 2.460 20 0 FEADHO CN(C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418656329 559410013 /nfs/dbraw/zinc/41/00/13/559410013.db2.gz FMPIOOYNKNPMDL-HSALFYBXSA-N 1 3 356.514 2.290 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418730642 559412888 /nfs/dbraw/zinc/41/28/88/559412888.db2.gz SQSDQNGIVQTPFN-RDJZCZTQSA-N 1 3 350.482 2.416 20 0 FEADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCCCOc1ccccc1F ZINC000420333863 559481254 /nfs/dbraw/zinc/48/12/54/559481254.db2.gz TVYCYHDARVXFKK-IRXDYDNUSA-N 1 3 363.477 2.032 20 0 FEADHO O=C(Nc1ccccc1)c1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420347628 559482439 /nfs/dbraw/zinc/48/24/39/559482439.db2.gz HPOGXMBWFWGIHA-OAQYLSRUSA-N 1 3 364.493 2.418 20 0 FEADHO COC(=O)c1cc2cc(CN3CCC[C@@H](n4cc(C[NH3+])nn4)C3)ccc2o1 ZINC000420380308 559484073 /nfs/dbraw/zinc/48/40/73/559484073.db2.gz NSPLOCLYOKJQAT-MRXNPFEDSA-N 1 3 369.425 2.107 20 0 FEADHO O=C1N[C@@H]2CN([C@@H]3CCCc4ccccc43)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420399583 559485461 /nfs/dbraw/zinc/48/54/61/559485461.db2.gz HXYLTHHFBQJFCU-AQNXPRMDSA-N 1 3 354.498 2.284 20 0 FEADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000420847667 559507501 /nfs/dbraw/zinc/50/75/01/559507501.db2.gz WOZDQCNRCYINKI-VQTJNVASSA-N 1 3 374.529 2.013 20 0 FEADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000420847667 559507502 /nfs/dbraw/zinc/50/75/02/559507502.db2.gz WOZDQCNRCYINKI-VQTJNVASSA-N 1 3 374.529 2.013 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)CC1 ZINC000420986753 559517856 /nfs/dbraw/zinc/51/78/56/559517856.db2.gz YUGCNCVWLRPHJA-IBGZPJMESA-N 1 3 372.557 2.356 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)CC1 ZINC000420986753 559517857 /nfs/dbraw/zinc/51/78/57/559517857.db2.gz YUGCNCVWLRPHJA-IBGZPJMESA-N 1 3 372.557 2.356 20 0 FEADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000422171694 559569385 /nfs/dbraw/zinc/56/93/85/559569385.db2.gz WRFPOPMWWDQMAP-QGZVFWFLSA-N 1 3 368.591 2.474 20 0 FEADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000422171694 559569386 /nfs/dbraw/zinc/56/93/86/559569386.db2.gz WRFPOPMWWDQMAP-QGZVFWFLSA-N 1 3 368.591 2.474 20 0 FEADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000422767441 559606028 /nfs/dbraw/zinc/60/60/28/559606028.db2.gz MZYGGZGCUXXSRR-SJLPKXTDSA-N 1 3 351.516 2.078 20 0 FEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000422806322 559607057 /nfs/dbraw/zinc/60/70/57/559607057.db2.gz HZJQVZBTTBMXCT-GCJKJVERSA-N 1 3 370.516 2.496 20 0 FEADHO C(N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1(CN2CCOCC2)CCCCC1 ZINC000422846230 559608312 /nfs/dbraw/zinc/60/83/12/559608312.db2.gz FCEJUIIOYOXALN-HSALFYBXSA-N 1 3 365.562 2.016 20 0 FEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422856125 559608600 /nfs/dbraw/zinc/60/86/00/559608600.db2.gz DQIVTXGWPVWULN-HIFRSBDPSA-N 1 3 354.292 2.286 20 0 FEADHO C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@]1(N2CCOCC2)CCSC1 ZINC000422898947 559610397 /nfs/dbraw/zinc/61/03/97/559610397.db2.gz GGTMWDHHFMASMK-MANSERQUSA-N 1 3 353.576 2.095 20 0 FEADHO [NH3+][C@H]1CCCCC[C@@H]1NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000422911582 559610892 /nfs/dbraw/zinc/61/08/92/559610892.db2.gz LCOXBGUVKFUCGI-PMACEKPBSA-N 1 3 358.530 2.262 20 0 FEADHO CCOC(=O)C1([C@H](C)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)CC[NH2+]CC1 ZINC000422920171 559611365 /nfs/dbraw/zinc/61/13/65/559611365.db2.gz LSHLNZHLCRSBFS-XYJFISCASA-N 1 3 373.497 2.091 20 0 FEADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000422940294 559612080 /nfs/dbraw/zinc/61/20/80/559612080.db2.gz GVKLYNWVWKXKOC-IEBWSBKVSA-N 1 3 365.543 2.194 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000422951203 559612708 /nfs/dbraw/zinc/61/27/08/559612708.db2.gz ZVSJJMFCHXGDSV-WQANXHIZSA-N 1 3 367.921 2.055 20 0 FEADHO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@@H](C)C[C@H](C)N)CC2 ZINC000422952013 559612741 /nfs/dbraw/zinc/61/27/41/559612741.db2.gz BGVJLUGKNKNNJM-GJZGRUSLSA-N 1 3 363.502 2.084 20 0 FEADHO CC(C)[NH+]1CCN(c2cccc(N[C@H](C3CC3)[C@@H]3CNCCO3)c2)CC1 ZINC000423023851 559615550 /nfs/dbraw/zinc/61/55/50/559615550.db2.gz IGZIQJVNACGVOA-LEWJYISDSA-N 1 3 358.530 2.396 20 0 FEADHO CN1CCC(Oc2ccc(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000423098157 559618766 /nfs/dbraw/zinc/61/87/66/559618766.db2.gz CHDDHRPBKSFREY-BHDDXSALSA-N 1 3 373.541 2.406 20 0 FEADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 ZINC000423154949 559621177 /nfs/dbraw/zinc/62/11/77/559621177.db2.gz PQRLVCOJMZTTKM-RTBURBONSA-N 1 3 360.546 2.073 20 0 FEADHO CN(CCCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)Cc1ccccc1 ZINC000423318804 559625313 /nfs/dbraw/zinc/62/53/13/559625313.db2.gz ZKJNBRVNAYLXJJ-LJQANCHMSA-N 1 3 355.486 2.060 20 0 FEADHO CC[C@H](NCC1=CC[NH2+]CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423343443 559626090 /nfs/dbraw/zinc/62/60/90/559626090.db2.gz DMGLXSASKOSGMP-HNNXBMFYSA-N 1 3 357.907 2.209 20 0 FEADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423391385 559627630 /nfs/dbraw/zinc/62/76/30/559627630.db2.gz PIGLSDRXHFLCSF-QFBILLFUSA-N 1 3 361.530 2.264 20 0 FEADHO CC(C)(C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H](N)c1ccccc1 ZINC000423415152 559628476 /nfs/dbraw/zinc/62/84/76/559628476.db2.gz OSQRIOMXPYXXIC-QFBILLFUSA-N 1 3 359.514 2.330 20 0 FEADHO C[C@H](CCC[NH3+])N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423454545 559629583 /nfs/dbraw/zinc/62/95/83/559629583.db2.gz LPDQTSCLUKBIOG-MFKMUULPSA-N 1 3 361.305 2.385 20 0 FEADHO C[C@@H](CCC[NH3+])N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423454544 559629610 /nfs/dbraw/zinc/62/96/10/559629610.db2.gz LPDQTSCLUKBIOG-GXFFZTMASA-N 1 3 361.305 2.385 20 0 FEADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000423469880 559629871 /nfs/dbraw/zinc/62/98/71/559629871.db2.gz LBAZFGPHRZRPMU-OBJCFNGXSA-N 1 3 361.505 2.266 20 0 FEADHO C[C@@H]1C[C@H](C)N(C(=O)CCN2CCN(c3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000424080384 559654009 /nfs/dbraw/zinc/65/40/09/559654009.db2.gz VLUHTQQDSHIVQV-CEXWTWQISA-N 1 3 358.530 2.031 20 0 FEADHO CCOCc1ccccc1CNC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424299870 559661021 /nfs/dbraw/zinc/66/10/21/559661021.db2.gz WBKRIPITXYDASL-QGZVFWFLSA-N 1 3 359.514 2.303 20 0 FEADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000527326473 562285569 /nfs/dbraw/zinc/28/55/69/562285569.db2.gz OWTQGJJLNGWNJO-UHFFFAOYSA-N 1 3 374.529 2.266 20 0 FEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000527326473 562285570 /nfs/dbraw/zinc/28/55/70/562285570.db2.gz OWTQGJJLNGWNJO-UHFFFAOYSA-N 1 3 374.529 2.266 20 0 FEADHO CN1C[C@@H]2CCCN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000425738872 559716896 /nfs/dbraw/zinc/71/68/96/559716896.db2.gz FYILNLZTTWWUBN-SLFFLAALSA-N 1 3 356.514 2.244 20 0 FEADHO CN1C[C@@H]2CCCN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000425738872 559716897 /nfs/dbraw/zinc/71/68/97/559716897.db2.gz FYILNLZTTWWUBN-SLFFLAALSA-N 1 3 356.514 2.244 20 0 FEADHO COc1ccc(CC[C@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1O ZINC000426159890 559730695 /nfs/dbraw/zinc/73/06/95/559730695.db2.gz IWUUKTOIYSUPST-WMZOPIPTSA-N 1 3 350.503 2.404 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000427276444 559752040 /nfs/dbraw/zinc/75/20/40/559752040.db2.gz WSYHHXKIPAVTTL-IBGZPJMESA-N 1 3 372.557 2.220 20 0 FEADHO CN1CC[C@]2(CC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000429029965 559789331 /nfs/dbraw/zinc/78/93/31/559789331.db2.gz PNFIIVUNZDAXND-WBVHZDCISA-N 1 3 369.303 2.216 20 0 FEADHO CN1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000429029965 559789332 /nfs/dbraw/zinc/78/93/32/559789332.db2.gz PNFIIVUNZDAXND-WBVHZDCISA-N 1 3 369.303 2.216 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1 ZINC000429703308 559804185 /nfs/dbraw/zinc/80/41/85/559804185.db2.gz LWXVOZLABOYWQP-ZSXPUABSSA-N 1 3 371.525 2.343 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnnn1Cc1ccccc1 ZINC000430066202 559812189 /nfs/dbraw/zinc/81/21/89/559812189.db2.gz LIHJUDQMGWOIRR-HXUWFJFHSA-N 1 3 370.545 2.174 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnnn1Cc1ccccc1 ZINC000430066202 559812190 /nfs/dbraw/zinc/81/21/90/559812190.db2.gz LIHJUDQMGWOIRR-HXUWFJFHSA-N 1 3 370.545 2.174 20 0 FEADHO COc1cc(NC(=O)CCN[C@](C)(C[NH3+])C2CC2)c(OC)cc1Cl ZINC000430563320 559822770 /nfs/dbraw/zinc/82/27/70/559822770.db2.gz VORKFBHYZVWMKS-QGZVFWFLSA-N 1 3 355.866 2.403 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCC(F)(F)C3)CC2)CC1 ZINC000430581550 559823540 /nfs/dbraw/zinc/82/35/40/559823540.db2.gz UJFDHZUHVPTPTK-CQSZACIVSA-N 1 3 358.477 2.280 20 0 FEADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000430621043 559824909 /nfs/dbraw/zinc/82/49/09/559824909.db2.gz CRTXEAJKWCADFM-LBPRGKRZSA-N 1 3 360.285 2.159 20 0 FEADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccccc2Oc2cccnc2)C1 ZINC000430641758 559825560 /nfs/dbraw/zinc/82/55/60/559825560.db2.gz UDABBXAAWBUEJC-QGZVFWFLSA-N 1 3 354.454 2.161 20 0 FEADHO [NH3+]C[C@@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1ccccc1 ZINC000430679884 559826301 /nfs/dbraw/zinc/82/63/01/559826301.db2.gz NMRWWQXBISEUDM-HXUWFJFHSA-N 1 3 353.466 2.324 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000430949163 559831251 /nfs/dbraw/zinc/83/12/51/559831251.db2.gz MTSGBKACGNYWNG-LJQANCHMSA-N 1 3 372.557 2.089 20 0 FEADHO CCN(C(=O)CNC[C@@H]1CCCO1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000431035908 559832933 /nfs/dbraw/zinc/83/29/33/559832933.db2.gz UVRFUYVXNVRTSS-RLLQIKCJSA-N 1 3 359.514 2.439 20 0 FEADHO CCN(C(=O)CNC[C@@H]1CCCO1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000431035908 559832934 /nfs/dbraw/zinc/83/29/34/559832934.db2.gz UVRFUYVXNVRTSS-RLLQIKCJSA-N 1 3 359.514 2.439 20 0 FEADHO [NH3+]C1CCN(CCCC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000433131929 559872768 /nfs/dbraw/zinc/87/27/68/559872768.db2.gz ATUNDSRHJSIQKI-KRWDZBQOSA-N 1 3 364.559 2.205 20 0 FEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433338895 559877415 /nfs/dbraw/zinc/87/74/15/559877415.db2.gz IVLJSPQJUABHID-OALUTQOASA-N 1 3 368.566 2.441 20 0 FEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433338895 559877416 /nfs/dbraw/zinc/87/74/16/559877416.db2.gz IVLJSPQJUABHID-OALUTQOASA-N 1 3 368.566 2.441 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000440181495 560006133 /nfs/dbraw/zinc/00/61/33/560006133.db2.gz VFWLWUBATZCHFK-RBUKOAKNSA-N 1 3 368.566 2.249 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000440181495 560006132 /nfs/dbraw/zinc/00/61/32/560006132.db2.gz VFWLWUBATZCHFK-RBUKOAKNSA-N 1 3 368.566 2.249 20 0 FEADHO COc1ccccc1COC[C@H](O)CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000555888776 674379975 /nfs/dbraw/zinc/37/99/75/674379975.db2.gz ADHPTEIHMZYSCE-QGZVFWFLSA-N 1 3 350.503 2.472 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000443060686 560068533 /nfs/dbraw/zinc/06/85/33/560068533.db2.gz PPMNNSXHLSLIQH-HZPDHXFCSA-N 1 3 363.502 2.112 20 0 FEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C1 ZINC000443066423 560069082 /nfs/dbraw/zinc/06/90/82/560069082.db2.gz DUEHLIZETVZZHG-HNNXBMFYSA-N 1 3 373.419 2.305 20 0 FEADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000443072549 560069240 /nfs/dbraw/zinc/06/92/40/560069240.db2.gz NYEHTXJCJBNHOE-CQSZACIVSA-N 1 3 373.419 2.261 20 0 FEADHO C[C@H](NC(=O)NCC1(N(C)C)Cc2ccccc2C1)C(C)(C)C[NH+](C)C ZINC000443234743 560075768 /nfs/dbraw/zinc/07/57/68/560075768.db2.gz RDGSSYIJRPLHMF-INIZCTEOSA-N 1 3 360.546 2.361 20 0 FEADHO CC(C)[C@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1)N1CCCCC1 ZINC000443812673 560093696 /nfs/dbraw/zinc/09/36/96/560093696.db2.gz YXADUUYDQWLJRO-RTBURBONSA-N 1 3 351.535 2.210 20 0 FEADHO CN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000444148473 560103108 /nfs/dbraw/zinc/10/31/08/560103108.db2.gz BPAVEDUICFGIOT-ZDUSSCGKSA-N 1 3 366.893 2.041 20 0 FEADHO CN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000444148473 560103109 /nfs/dbraw/zinc/10/31/09/560103109.db2.gz BPAVEDUICFGIOT-ZDUSSCGKSA-N 1 3 366.893 2.041 20 0 FEADHO C[C@@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)N1CCCC[C@@H]1C ZINC000445545950 560132791 /nfs/dbraw/zinc/13/27/91/560132791.db2.gz BMFUQYAOEWHHMG-IRXDYDNUSA-N 1 3 374.529 2.108 20 0 FEADHO OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000449388512 560228443 /nfs/dbraw/zinc/22/84/43/560228443.db2.gz AEUXREKUZUGOMA-LNRXMEIDSA-N 1 3 357.542 2.333 20 0 FEADHO OCCN1CCCC[C@@H]1CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000449388512 560228444 /nfs/dbraw/zinc/22/84/44/560228444.db2.gz AEUXREKUZUGOMA-LNRXMEIDSA-N 1 3 357.542 2.333 20 0 FEADHO OCCN1CCCC[C@@H]1CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000449388512 560228445 /nfs/dbraw/zinc/22/84/45/560228445.db2.gz AEUXREKUZUGOMA-LNRXMEIDSA-N 1 3 357.542 2.333 20 0 FEADHO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)C12CCC2 ZINC000451482487 560309671 /nfs/dbraw/zinc/30/96/71/560309671.db2.gz UKPHAOYITABOSG-IPMKNSEASA-N 1 3 359.514 2.343 20 0 FEADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453688577 560396898 /nfs/dbraw/zinc/39/68/98/560396898.db2.gz HCZQJBDGOCOMJY-IEBWSBKVSA-N 1 3 372.513 2.117 20 0 FEADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)C1C[NH+](C2CCCCC2)C1 ZINC000457697822 560582389 /nfs/dbraw/zinc/58/23/89/560582389.db2.gz MKJWTDNCDMGTNY-NRFANRHFSA-N 1 3 371.525 2.134 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000457701994 560582755 /nfs/dbraw/zinc/58/27/55/560582755.db2.gz DIFYNKMEDQMNHT-QWFCFKBJSA-N 1 3 350.551 2.482 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000458591096 560634451 /nfs/dbraw/zinc/63/44/51/560634451.db2.gz XXOUSAXHHSIBGS-UYAOXDASSA-N 1 3 350.551 2.482 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000458591096 560634452 /nfs/dbraw/zinc/63/44/52/560634452.db2.gz XXOUSAXHHSIBGS-UYAOXDASSA-N 1 3 350.551 2.482 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000465543211 560867825 /nfs/dbraw/zinc/86/78/25/560867825.db2.gz MZDXVAFWUOZMMV-RTBURBONSA-N 1 3 374.529 2.048 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000465543211 560867826 /nfs/dbraw/zinc/86/78/26/560867826.db2.gz MZDXVAFWUOZMMV-RTBURBONSA-N 1 3 374.529 2.048 20 0 FEADHO COCC[NH+]1CCC(NC(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000468895086 560941644 /nfs/dbraw/zinc/94/16/44/560941644.db2.gz HFBHJMLFMVLZOJ-UHFFFAOYSA-N 1 3 354.454 2.088 20 0 FEADHO CN(C)CCOc1ccccc1N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000469714896 560962401 /nfs/dbraw/zinc/96/24/01/560962401.db2.gz GYTGHKIFWKKMGE-UHFFFAOYSA-N 1 3 360.546 2.235 20 0 FEADHO CC(C)c1nn(-c2ccccc2)cc1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000470023306 560972477 /nfs/dbraw/zinc/97/24/77/560972477.db2.gz ZBIDQKKLTMWORJ-KRWDZBQOSA-N 1 3 369.513 2.283 20 0 FEADHO CN(C)[C@@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)Cc1ccccc1 ZINC000474311989 561070950 /nfs/dbraw/zinc/07/09/50/561070950.db2.gz NLOZHLMHVFCBMF-OAQYLSRUSA-N 1 3 351.494 2.278 20 0 FEADHO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)C1CCSCC1 ZINC000474883642 561084841 /nfs/dbraw/zinc/08/48/41/561084841.db2.gz ACFTVRQXWXMCFO-LPHOPBHVSA-N 1 3 363.571 2.397 20 0 FEADHO C[C@H](NCCCC[NH+]1CCN(CCO)CC1)c1ncc(C(C)(C)C)o1 ZINC000476561961 561122700 /nfs/dbraw/zinc/12/27/00/561122700.db2.gz OKYPTVARZMLQPA-INIZCTEOSA-N 1 3 352.523 2.013 20 0 FEADHO CO[C@H](Cc1ccc(F)cc1)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000528430687 562328971 /nfs/dbraw/zinc/32/89/71/562328971.db2.gz KOMKFVKMWGDLOH-DUXKGJEZSA-N 1 3 363.521 2.341 20 0 FEADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000528709085 562342960 /nfs/dbraw/zinc/34/29/60/562342960.db2.gz WJKKAPAOJVNSCI-WOJBJXKFSA-N 1 3 373.541 2.108 20 0 FEADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000528709085 562342961 /nfs/dbraw/zinc/34/29/61/562342961.db2.gz WJKKAPAOJVNSCI-WOJBJXKFSA-N 1 3 373.541 2.108 20 0 FEADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529339217 562370104 /nfs/dbraw/zinc/37/01/04/562370104.db2.gz NRQKOKLDTSABQB-UYAOXDASSA-N 1 3 374.529 2.049 20 0 FEADHO O=C(N[C@H]1CC[NH2+]C12CCC2)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000529348958 562370498 /nfs/dbraw/zinc/37/04/98/562370498.db2.gz JSQHMOMFXVRQAB-OTWHNJEPSA-N 1 3 354.498 2.187 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3[C@@H](C)[C@H](C)O[C@H]3C)CC2)CC1 ZINC000529978645 562393513 /nfs/dbraw/zinc/39/35/13/562393513.db2.gz LXJWFSGXCUNXRO-FPXQBCRKSA-N 1 3 351.535 2.111 20 0 FEADHO C[N@@H+]1CC[C@H](C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000530653467 562419220 /nfs/dbraw/zinc/41/92/20/562419220.db2.gz IWCFGACYOCLJBJ-IBGZPJMESA-N 1 3 359.514 2.126 20 0 FEADHO C[N@H+]1CC[C@H](C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000530653467 562419221 /nfs/dbraw/zinc/41/92/21/562419221.db2.gz IWCFGACYOCLJBJ-IBGZPJMESA-N 1 3 359.514 2.126 20 0 FEADHO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n(C2CCN(C)CC2)n1 ZINC000530950636 562429519 /nfs/dbraw/zinc/42/95/19/562429519.db2.gz YIBFUTRNHSKXII-IAGOWNOFSA-N 1 3 360.506 2.207 20 0 FEADHO Cc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)n(C2CCN(C)CC2)n1 ZINC000530950636 562429520 /nfs/dbraw/zinc/42/95/20/562429520.db2.gz YIBFUTRNHSKXII-IAGOWNOFSA-N 1 3 360.506 2.207 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000532041797 562464938 /nfs/dbraw/zinc/46/49/38/562464938.db2.gz RGSVMFGXGKZDMP-UHFFFAOYSA-N 1 3 358.530 2.352 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C2CCN(C(C)=O)CC2)CC1 ZINC000532296043 562473060 /nfs/dbraw/zinc/47/30/60/562473060.db2.gz RRDOOQDKFUXONU-UHFFFAOYSA-N 1 3 358.530 2.319 20 0 FEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCNc1ccncc1 ZINC000535261584 562554293 /nfs/dbraw/zinc/55/42/93/562554293.db2.gz OCCQSDUMNRUVLA-UHFFFAOYSA-N 1 3 355.486 2.255 20 0 FEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCNc1ccncc1 ZINC000535261584 562554294 /nfs/dbraw/zinc/55/42/94/562554294.db2.gz OCCQSDUMNRUVLA-UHFFFAOYSA-N 1 3 355.486 2.255 20 0 FEADHO C[C@H]1[C@@H](NC(=S)NCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000806608751 674383540 /nfs/dbraw/zinc/38/35/40/674383540.db2.gz JKEOWQZSDUNURV-LPHOPBHVSA-N 1 3 360.571 2.455 20 0 FEADHO CC[C@H]1CN(C(=O)NC2CCN(CCc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000669110425 567880466 /nfs/dbraw/zinc/88/04/66/567880466.db2.gz QSICCWWQNBDSEM-AZUAARDMSA-N 1 3 358.530 2.462 20 0 FEADHO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000602656126 568006252 /nfs/dbraw/zinc/00/62/52/568006252.db2.gz WHONJCJWTGPVEB-APWZRJJASA-N 1 3 362.514 2.232 20 0 FEADHO C[C@@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)N1CCCC[C@@H]1C ZINC000604171450 568221108 /nfs/dbraw/zinc/22/11/08/568221108.db2.gz MFSUNHKDUQQXLS-IRXDYDNUSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CCCO1 ZINC000637090527 568353645 /nfs/dbraw/zinc/35/36/45/568353645.db2.gz SKXFYMHPRMIXJZ-IEBWSBKVSA-N 1 3 366.550 2.194 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CCCO1 ZINC000637090527 568353646 /nfs/dbraw/zinc/35/36/46/568353646.db2.gz SKXFYMHPRMIXJZ-IEBWSBKVSA-N 1 3 366.550 2.194 20 0 FEADHO C[C@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000604867124 568380402 /nfs/dbraw/zinc/38/04/02/568380402.db2.gz CZEWWIGYNMVZTA-IBGZPJMESA-N 1 3 372.557 2.435 20 0 FEADHO CC[NH+]1CCC(N2CCCN(C[C@@H]3COc4ccccc4O3)CC2)CC1 ZINC000643255257 568404571 /nfs/dbraw/zinc/40/45/71/568404571.db2.gz PVRSZUZGNZIWNJ-LJQANCHMSA-N 1 3 359.514 2.318 20 0 FEADHO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1ccc(Br)cc1 ZINC000629564436 676859754 /nfs/dbraw/zinc/85/97/54/676859754.db2.gz KHSADJQELYMJOH-HIFRSBDPSA-N 1 3 357.292 2.263 20 0 FEADHO COc1cc(-c2nnn[n-]2)ccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000826168096 608378243 /nfs/dbraw/zinc/37/82/43/608378243.db2.gz BPXHAWFQIZBOOY-UHFFFAOYSA-N 1 3 358.490 2.429 20 0 FEADHO C[NH+](C)CCOc1cc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)ccn1 ZINC000810794798 674562242 /nfs/dbraw/zinc/56/22/42/674562242.db2.gz CHRVJWDHZDYRJZ-SFHVURJKSA-N 1 3 352.454 2.173 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH+]1CCCC1 ZINC000811033508 674575042 /nfs/dbraw/zinc/57/50/42/674575042.db2.gz BSOYUKYYEOIHGH-RKVPGOIHSA-N 1 3 357.539 2.237 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CO)c3ccsc3)CC2)CC1 ZINC000563391235 674881889 /nfs/dbraw/zinc/88/18/89/674881889.db2.gz MIERQOQNYJHCSP-GOSISDBHSA-N 1 3 365.543 2.094 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](O)c3ccsc3)CC2)CC1 ZINC000816931050 675087664 /nfs/dbraw/zinc/08/76/64/675087664.db2.gz MFVLYJHKCHXFIK-GOSISDBHSA-N 1 3 365.543 2.094 20 0 FEADHO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000573902403 671179289 /nfs/dbraw/zinc/17/92/89/671179289.db2.gz NKZMGRSTWIYARB-QGZVFWFLSA-N 1 3 362.543 2.399 20 0 FEADHO O=C(NCCNc1cc[nH+]cc1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000536016971 673358395 /nfs/dbraw/zinc/35/83/95/673358395.db2.gz GJKYIQWDOPTRHE-INIZCTEOSA-N 1 3 359.499 2.113 20 0 FEADHO CSC1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000601572898 673883166 /nfs/dbraw/zinc/88/31/66/673883166.db2.gz UPNLDQMWXVADFL-UHFFFAOYSA-N 1 3 354.564 2.082 20 0 FEADHO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000819134611 675263600 /nfs/dbraw/zinc/26/36/00/675263600.db2.gz JPXLYXDKNCPCGO-KRWDZBQOSA-N 1 3 355.523 2.259 20 0 FEADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000819172924 675265906 /nfs/dbraw/zinc/26/59/06/675265906.db2.gz HODOBNDWWYXARX-CEXWTWQISA-N 1 3 354.441 2.356 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000828394815 675817314 /nfs/dbraw/zinc/81/73/14/675817314.db2.gz AQYGPGUOHXUGDZ-MRXNPFEDSA-N 1 3 368.909 2.050 20 0 FEADHO Cc1oc(Br)cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617502349 676288399 /nfs/dbraw/zinc/28/83/99/676288399.db2.gz MGYBVKZMBAGOLL-NSHDSACASA-N 1 3 360.296 2.352 20 0 FEADHO Cc1oc(Br)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617502349 676288401 /nfs/dbraw/zinc/28/84/01/676288401.db2.gz MGYBVKZMBAGOLL-NSHDSACASA-N 1 3 360.296 2.352 20 0 FEADHO CN(CCCNCc1cn(-c2ccc(F)cc2Cl)nn1)CC[NH+](C)C ZINC000623088055 676520115 /nfs/dbraw/zinc/52/01/15/676520115.db2.gz UNWUIBZCWRPWBI-UHFFFAOYSA-N 1 3 368.888 2.033 20 0 FEADHO C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000623399132 676533052 /nfs/dbraw/zinc/53/30/52/676533052.db2.gz ZGIZKKCVHBOEOO-GDBMZVCRSA-N 1 3 353.532 2.460 20 0 FEADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000627022955 676735250 /nfs/dbraw/zinc/73/52/50/676735250.db2.gz FVMQHBCQZNZLEE-PFSRBDOWSA-N 1 3 362.440 2.231 20 0 FEADHO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1ccc(Br)cc1 ZINC000629564438 676859897 /nfs/dbraw/zinc/85/98/97/676859897.db2.gz KHSADJQELYMJOH-ZFWWWQNUSA-N 1 3 357.292 2.263 20 0 FEADHO COC[C@]1(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CCCCN1 ZINC000638086712 677139571 /nfs/dbraw/zinc/13/95/71/677139571.db2.gz UVMQIEVTUQZBQW-HBFSDRIKSA-N 1 3 351.535 2.258 20 0 FEADHO COC[C@]1(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CCCCN1 ZINC000638086712 677139572 /nfs/dbraw/zinc/13/95/72/677139572.db2.gz UVMQIEVTUQZBQW-HBFSDRIKSA-N 1 3 351.535 2.258 20 0 FEADHO COC[C@@]1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCCN1 ZINC000638102923 677139881 /nfs/dbraw/zinc/13/98/81/677139881.db2.gz XPKVGGOENDAFIE-UYAOXDASSA-N 1 3 351.535 2.260 20 0 FEADHO CCCN(C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@H]1CCN(C)C1 ZINC000645270153 677256785 /nfs/dbraw/zinc/25/67/85/677256785.db2.gz MSCMVFPLLYOUSW-INIZCTEOSA-N 1 3 354.539 2.002 20 0 FEADHO CN(C)S(=O)(=O)c1cccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647975769 677309740 /nfs/dbraw/zinc/30/97/40/677309740.db2.gz FSQNLAKLLOWTPD-MSOLQXFVSA-N 1 3 365.543 2.149 20 0 FEADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648137434 677311822 /nfs/dbraw/zinc/31/18/22/677311822.db2.gz KGRHIYIYEJXYSN-ZSHCYNCHSA-N 1 3 355.404 2.061 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)COCC3CC3)CC2)CC1 ZINC000655167986 677626806 /nfs/dbraw/zinc/62/68/06/677626806.db2.gz ZOTLVMKCWPYNEU-INIZCTEOSA-N 1 3 351.535 2.114 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000658386769 678081822 /nfs/dbraw/zinc/08/18/22/678081822.db2.gz CHPAGLMBRLJKCM-GOSISDBHSA-N 1 3 365.543 2.149 20 0 FEADHO CN(C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000662252458 678596505 /nfs/dbraw/zinc/59/65/05/678596505.db2.gz OJBSBYZONCJUMK-IUIKQTSFSA-N 1 3 357.281 2.404 20 0 FEADHO O=S(=O)(Nc1ccccc1)[C@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000662309596 678603218 /nfs/dbraw/zinc/60/32/18/678603218.db2.gz AXHFQGDGDUSWHE-SFHVURJKSA-N 1 3 351.516 2.282 20 0 FEADHO CCN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCN(C)C1 ZINC000664094357 678831190 /nfs/dbraw/zinc/83/11/90/678831190.db2.gz RCYSWTAJAATHNS-QGZVFWFLSA-N 1 3 368.591 2.474 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nc(C2CC2)cs1 ZINC000664460341 678881654 /nfs/dbraw/zinc/88/16/54/678881654.db2.gz JYSXETNKWBHRNL-ZDUSSCGKSA-N 1 3 353.536 2.092 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nc(C2CC2)cs1 ZINC000664460341 678881657 /nfs/dbraw/zinc/88/16/57/678881657.db2.gz JYSXETNKWBHRNL-ZDUSSCGKSA-N 1 3 353.536 2.092 20 0 FEADHO COc1ccccc1CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665637033 678974196 /nfs/dbraw/zinc/97/41/96/678974196.db2.gz RJEXXFXTNWEALC-INIZCTEOSA-N 1 3 350.507 2.109 20 0 FEADHO COc1ccccc1CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665637033 678974198 /nfs/dbraw/zinc/97/41/98/678974198.db2.gz RJEXXFXTNWEALC-INIZCTEOSA-N 1 3 350.507 2.109 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(C(F)(F)F)CC1 ZINC000665759312 678981741 /nfs/dbraw/zinc/98/17/41/678981741.db2.gz CDOMLZNAVBQJNI-ZDUSSCGKSA-N 1 3 352.445 2.242 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(C(F)(F)F)CC1 ZINC000665759312 678981742 /nfs/dbraw/zinc/98/17/42/678981742.db2.gz CDOMLZNAVBQJNI-ZDUSSCGKSA-N 1 3 352.445 2.242 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C1CC(OC(C)(C)C)C1 ZINC000665763759 678982582 /nfs/dbraw/zinc/98/25/82/678982582.db2.gz LCJRETSALIDBMV-GTPINHCMSA-N 1 3 356.555 2.246 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C1CC(OC(C)(C)C)C1 ZINC000665763759 678982584 /nfs/dbraw/zinc/98/25/84/678982584.db2.gz LCJRETSALIDBMV-GTPINHCMSA-N 1 3 356.555 2.246 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000666784050 679044976 /nfs/dbraw/zinc/04/49/76/679044976.db2.gz ZMDYHJKWKGNSGF-GJZGRUSLSA-N 1 3 350.511 2.248 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000666784050 679044977 /nfs/dbraw/zinc/04/49/77/679044977.db2.gz ZMDYHJKWKGNSGF-GJZGRUSLSA-N 1 3 350.511 2.248 20 0 FEADHO [NH3+]CC[C@H](NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C(F)F ZINC000669483941 679238294 /nfs/dbraw/zinc/23/82/94/679238294.db2.gz UDAOGPGWCQKKPI-HOTGVXAUSA-N 1 3 354.445 2.495 20 0 FEADHO [NH3+]C[C@H]1CCCCN1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000669573944 679243417 /nfs/dbraw/zinc/24/34/17/679243417.db2.gz PYUWVWMAYJKWID-SHARSMKWSA-N 1 3 362.440 2.315 20 0 FEADHO CC1(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[NH2+]CC1 ZINC000669573907 679243429 /nfs/dbraw/zinc/24/34/29/679243429.db2.gz FZXWUXVKKGKXIJ-UHFFFAOYSA-N 1 3 362.440 2.233 20 0 FEADHO CO[C@]1(C(F)(F)F)CCCN(CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000669693485 679249360 /nfs/dbraw/zinc/24/93/60/679249360.db2.gz OFZRGGILRXOYJV-MRXNPFEDSA-N 1 3 351.457 2.446 20 0 FEADHO COc1cc(OCC[NH+](C)C)ccc1NC(=S)NC1CCN(C)CC1 ZINC000840855238 680847069 /nfs/dbraw/zinc/84/70/69/680847069.db2.gz CSANOGLRYDPUPK-UHFFFAOYSA-N 1 3 366.531 2.016 20 0 FEADHO COc1cc(Cl)ccc1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001018867950 680084426 /nfs/dbraw/zinc/08/44/26/680084426.db2.gz XIZLHYGKZFWRGB-XOKHGSTOSA-N 1 3 365.905 2.379 20 0 FEADHO COc1cc(Cl)ccc1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001018867950 680084430 /nfs/dbraw/zinc/08/44/30/680084430.db2.gz XIZLHYGKZFWRGB-XOKHGSTOSA-N 1 3 365.905 2.379 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4ccccc4Cl)C[C@H]32)CC[N@@H+]1C ZINC000978169955 680170729 /nfs/dbraw/zinc/17/07/29/680170729.db2.gz PBAFTDDPTDNLCE-FGTAOJJYSA-N 1 3 361.917 2.474 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4ccccc4Cl)C[C@H]32)CC[N@H+]1C ZINC000978169955 680170730 /nfs/dbraw/zinc/17/07/30/680170730.db2.gz PBAFTDDPTDNLCE-FGTAOJJYSA-N 1 3 361.917 2.474 20 0 FEADHO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000834910129 680281663 /nfs/dbraw/zinc/28/16/63/680281663.db2.gz FRFPZCDXDYFWRD-MRXNPFEDSA-N 1 3 355.523 2.475 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC(NCc3ccncc3Cl)CC2)CC[N@@H+]1C ZINC000996609485 680337365 /nfs/dbraw/zinc/33/73/65/680337365.db2.gz UFFNSJXSGLFCGX-CZUORRHYSA-N 1 3 350.894 2.156 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC(NCc3ccncc3Cl)CC2)CC[N@H+]1C ZINC000996609485 680337369 /nfs/dbraw/zinc/33/73/69/680337369.db2.gz UFFNSJXSGLFCGX-CZUORRHYSA-N 1 3 350.894 2.156 20 0 FEADHO Cc1nsc(C)c1CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998794733 680389816 /nfs/dbraw/zinc/38/98/16/680389816.db2.gz GIAAUQUXEXFWQI-TWRYWWQQSA-N 1 3 350.532 2.179 20 0 FEADHO Cc1nsc(C)c1CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998794733 680389819 /nfs/dbraw/zinc/38/98/19/680389819.db2.gz GIAAUQUXEXFWQI-TWRYWWQQSA-N 1 3 350.532 2.179 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)Cc3cnc(C)s3)C2)CC[N@@H+]1C ZINC001029742506 680391539 /nfs/dbraw/zinc/39/15/39/680391539.db2.gz VJRUWZJZYXZBDA-RYQLBKOJSA-N 1 3 364.559 2.462 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)Cc3cnc(C)s3)C2)CC[N@H+]1C ZINC001029742506 680391540 /nfs/dbraw/zinc/39/15/40/680391540.db2.gz VJRUWZJZYXZBDA-RYQLBKOJSA-N 1 3 364.559 2.462 20 0 FEADHO CN(C)[C@H](CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000874429635 685387508 /nfs/dbraw/zinc/38/75/08/685387508.db2.gz LZRCSQMKQBUWTQ-SOUVJXGZSA-N 1 3 358.408 2.068 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844319523 681050797 /nfs/dbraw/zinc/05/07/97/681050797.db2.gz ZDQODZXZHXGAFG-GOSISDBHSA-N 1 3 353.507 2.040 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844319523 681050800 /nfs/dbraw/zinc/05/08/00/681050800.db2.gz ZDQODZXZHXGAFG-GOSISDBHSA-N 1 3 353.507 2.040 20 0 FEADHO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000846675699 681274584 /nfs/dbraw/zinc/27/45/84/681274584.db2.gz NGRXWOMFJMMHFL-UONOGXRCSA-N 1 3 360.380 2.494 20 0 FEADHO C[NH+](C)[C@H]1C[C@@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000848647613 681593090 /nfs/dbraw/zinc/59/30/90/681593090.db2.gz JZFHAZUIDZEBMH-IZAXUBKRSA-N 1 3 360.571 2.455 20 0 FEADHO CC(C)(C)OC(=O)NC/C=C/CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848907626 681640639 /nfs/dbraw/zinc/64/06/39/681640639.db2.gz QFWPLQGZBYAIPC-LAQIPUCWSA-N 1 3 353.507 2.300 20 0 FEADHO COc1ccc(NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1F ZINC000849274937 681675506 /nfs/dbraw/zinc/67/55/06/681675506.db2.gz DWEDJNNJCKUJJI-ZDUSSCGKSA-N 1 3 356.511 2.393 20 0 FEADHO COc1ccc(NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1F ZINC000849274937 681675512 /nfs/dbraw/zinc/67/55/12/681675512.db2.gz DWEDJNNJCKUJJI-ZDUSSCGKSA-N 1 3 356.511 2.393 20 0 FEADHO CCC[N@H+](C[C@@H](O)CN(C)C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851752262 682120243 /nfs/dbraw/zinc/12/02/43/682120243.db2.gz FHAGDJCLBFPXIW-IRXDYDNUSA-N 1 3 357.539 2.409 20 0 FEADHO CCC[N@@H+](C[C@@H](O)CN(C)C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851752262 682120247 /nfs/dbraw/zinc/12/02/47/682120247.db2.gz FHAGDJCLBFPXIW-IRXDYDNUSA-N 1 3 357.539 2.409 20 0 FEADHO CN1CCC[C@@]2(CC[N@H+](C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 ZINC000852092168 682218232 /nfs/dbraw/zinc/21/82/32/682218232.db2.gz QCFIFDXCXJIMDH-VQIMIIECSA-N 1 3 353.507 2.040 20 0 FEADHO CN1CCC[C@@]2(CC[N@@H+](C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 ZINC000852092168 682218235 /nfs/dbraw/zinc/21/82/35/682218235.db2.gz QCFIFDXCXJIMDH-VQIMIIECSA-N 1 3 353.507 2.040 20 0 FEADHO C[N@@H+]1CC[C@H](NC[C@@H]2COCCN2C(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000858526770 682977180 /nfs/dbraw/zinc/97/71/80/682977180.db2.gz JJRLGCGBHXAIPS-QZWWFDLISA-N 1 3 353.507 2.085 20 0 FEADHO C[N@H+]1CC[C@H](NC[C@@H]2COCCN2C(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000858526770 682977184 /nfs/dbraw/zinc/97/71/84/682977184.db2.gz JJRLGCGBHXAIPS-QZWWFDLISA-N 1 3 353.507 2.085 20 0 FEADHO C[NH+](C)CCCNC(=S)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000795002046 683008146 /nfs/dbraw/zinc/00/81/46/683008146.db2.gz YMHQVXWQKIZNJV-UHFFFAOYSA-N 1 3 366.497 2.208 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H]3CSC[C@@H]3C)cc2)CC1 ZINC000796396459 683159442 /nfs/dbraw/zinc/15/94/42/683159442.db2.gz RJMRDEQHENRICA-MAUKXSAKSA-N 1 3 362.543 2.108 20 0 FEADHO CN1CCC(N(Cc2ccco2)C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000920308513 683332031 /nfs/dbraw/zinc/33/20/31/683332031.db2.gz WKBWJTVYINUWFO-UHFFFAOYSA-N 1 3 350.532 2.145 20 0 FEADHO CC(C)[NH+](CCCNC(=O)NC[C@@H]1CCN1C1CCOCC1)C(C)C ZINC000921150969 683401450 /nfs/dbraw/zinc/40/14/50/683401450.db2.gz XDIGFQZIZLHFIF-SFHVURJKSA-N 1 3 354.539 2.048 20 0 FEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000930113358 683681137 /nfs/dbraw/zinc/68/11/37/683681137.db2.gz KNTKLFXAMVQIIW-HZPDHXFCSA-N 1 3 351.457 2.444 20 0 FEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000930113358 683681140 /nfs/dbraw/zinc/68/11/40/683681140.db2.gz KNTKLFXAMVQIIW-HZPDHXFCSA-N 1 3 351.457 2.444 20 0 FEADHO COCCN(C)CCOc1cccc(C[NH2+]C2[C@H](C)COC[C@H]2C)c1 ZINC000924931181 684507628 /nfs/dbraw/zinc/50/76/28/684507628.db2.gz FWMOWQKZWMPTBW-IAGOWNOFSA-N 1 3 350.503 2.404 20 0 FEADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925332795 684550422 /nfs/dbraw/zinc/55/04/22/684550422.db2.gz XMNSZMRSHOGVRW-ZIAGYGMSSA-N 1 3 352.445 2.385 20 0 FEADHO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000869763251 684652460 /nfs/dbraw/zinc/65/24/60/684652460.db2.gz PQKKZRGQWVMOKK-LJQANCHMSA-N 1 3 357.514 2.016 20 0 FEADHO CS(=O)(=O)Cc1ccc(CNCc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873211039 685096922 /nfs/dbraw/zinc/09/69/22/685096922.db2.gz HXWLJSJVGFBZOU-UHFFFAOYSA-N 1 3 350.509 2.228 20 0 FEADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)c2)nn1 ZINC000873218678 685098528 /nfs/dbraw/zinc/09/85/28/685098528.db2.gz NXFSIGKKUDCJJI-ZACQAIPSSA-N 1 3 361.540 2.195 20 0 FEADHO C[C@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000873291567 685105963 /nfs/dbraw/zinc/10/59/63/685105963.db2.gz KIRPFJPLVQTFSC-ZFWWWQNUSA-N 1 3 370.490 2.039 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000875715051 686069834 /nfs/dbraw/zinc/06/98/34/686069834.db2.gz ZWUJFVMUNXFSST-RRFJBIMHSA-N 1 3 364.456 2.455 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000875715051 686069841 /nfs/dbraw/zinc/06/98/41/686069841.db2.gz ZWUJFVMUNXFSST-RRFJBIMHSA-N 1 3 364.456 2.455 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876110960 686133166 /nfs/dbraw/zinc/13/31/66/686133166.db2.gz SQTMEMRNAXSBRX-HFCFLWKCSA-N 1 3 354.539 2.002 20 0 FEADHO CCO[C@H]1C[C@@](N)(C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1(C)C ZINC000877301677 686350517 /nfs/dbraw/zinc/35/05/17/686350517.db2.gz ZLFJURIGYBVNHD-OXJNMPFZSA-N 1 3 351.535 2.386 20 0 FEADHO COC[C@]1(C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CCCCN1 ZINC000877443568 686378014 /nfs/dbraw/zinc/37/80/14/686378014.db2.gz GCYDMCPEBUQZGO-POAQFYNOSA-N 1 3 351.535 2.291 20 0 FEADHO COCCN(Cc1ccc(C(=O)OC)c(F)c1)CC1CC[NH+](C)CC1 ZINC000877663921 686432630 /nfs/dbraw/zinc/43/26/30/686432630.db2.gz DKMJBTNXHVTSOR-UHFFFAOYSA-N 1 3 352.450 2.403 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCCOC(F)(F)F)CC1 ZINC000878118585 686524827 /nfs/dbraw/zinc/52/48/27/686524827.db2.gz PZDYHYWAWPMABA-UHFFFAOYSA-N 1 3 367.456 2.329 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892449282 689198069 /nfs/dbraw/zinc/19/80/69/689198069.db2.gz CTFLYIFZIWVDCK-JCNLHEQBSA-N 1 3 350.482 2.416 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC3C[C@H]4CC[C@@H](C3)S4)CC2)CC1 ZINC000892521784 689207638 /nfs/dbraw/zinc/20/76/38/689207638.db2.gz FQZCFYOPGJAHPF-ZNXRZULTSA-N 1 3 366.575 2.271 20 0 FEADHO C[NH+]1CCC(CNc2cc(N3CCOCC3)c(Br)cn2)CC1 ZINC000894788776 689597088 /nfs/dbraw/zinc/59/70/88/689597088.db2.gz YUZLKMJUGWOWGZ-UHFFFAOYSA-N 1 3 369.307 2.434 20 0 FEADHO Cn1cc(CNC(C)(C)CCC[NH+](C)C)c(I)n1 ZINC000894906288 689617167 /nfs/dbraw/zinc/61/71/67/689617167.db2.gz ZSUQCMGIBDLGPB-UHFFFAOYSA-N 1 3 364.275 2.235 20 0 FEADHO CC1(C)C[NH2+]C[C@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000904321325 691019532 /nfs/dbraw/zinc/01/95/32/691019532.db2.gz WMBWMGULIJRYAR-QGZVFWFLSA-N 1 3 362.543 2.397 20 0 FEADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000905080990 691064721 /nfs/dbraw/zinc/06/47/21/691064721.db2.gz FTAIUZNIRCCYQX-CZUORRHYSA-N 1 3 374.312 2.204 20 0 FEADHO CN(C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474598606 887247922 /nfs/dbraw/zinc/24/79/22/887247922.db2.gz XPKQTZPROWLJSF-GOSISDBHSA-N 1 3 370.501 2.183 20 0 FEADHO CCSc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccn1 ZINC000050797150 540414636 /nfs/dbraw/zinc/41/46/36/540414636.db2.gz NAPQFUVVPQAKAS-UHFFFAOYSA-N 1 3 362.543 2.482 20 0 FEADHO Cc1ncc(CN(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000051777901 540444500 /nfs/dbraw/zinc/44/45/00/540444500.db2.gz SIZANRVYDQPLQN-UHFFFAOYSA-N 1 3 365.547 2.152 20 0 FEADHO CC[NH+](CC)CCNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000052634608 540479080 /nfs/dbraw/zinc/47/90/80/540479080.db2.gz HXNRPMSTQYLRIW-IBGZPJMESA-N 1 3 362.518 2.473 20 0 FEADHO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC(CC[NH+](C)C)CC1 ZINC000056522800 540731520 /nfs/dbraw/zinc/73/15/20/540731520.db2.gz RZTXJSOWCXXPNE-LJQANCHMSA-N 1 3 372.557 2.387 20 0 FEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000067392773 541454896 /nfs/dbraw/zinc/45/48/96/541454896.db2.gz HZORNVMCSHHXFZ-INIZCTEOSA-N 1 3 374.529 2.313 20 0 FEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000067392773 541454901 /nfs/dbraw/zinc/45/49/01/541454901.db2.gz HZORNVMCSHHXFZ-INIZCTEOSA-N 1 3 374.529 2.313 20 0 FEADHO CC[NH+](CC)CCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000068563814 541609917 /nfs/dbraw/zinc/60/99/17/541609917.db2.gz APHMAGJHXUSLIQ-UHFFFAOYSA-N 1 3 356.461 2.380 20 0 FEADHO CCN1CCC[C@H](C[NH2+]Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1 ZINC000069160365 541664821 /nfs/dbraw/zinc/66/48/21/541664821.db2.gz QDKHJWYSARIJTB-CYBMUJFWSA-N 1 3 369.893 2.034 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000551584110 674152548 /nfs/dbraw/zinc/15/25/48/674152548.db2.gz GBFOWTSIQUNHEO-NGFQHRJXSA-N 1 3 361.452 2.494 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000551584110 674152551 /nfs/dbraw/zinc/15/25/51/674152551.db2.gz GBFOWTSIQUNHEO-NGFQHRJXSA-N 1 3 361.452 2.494 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000079221328 542507247 /nfs/dbraw/zinc/50/72/47/542507247.db2.gz CLEZSJANXMADGS-VQTJNVASSA-N 1 3 358.530 2.429 20 0 FEADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000093138985 542912283 /nfs/dbraw/zinc/91/22/83/542912283.db2.gz QOAWOJMKTBOBFI-MJGOQNOKSA-N 1 3 359.518 2.470 20 0 FEADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000103142972 543094251 /nfs/dbraw/zinc/09/42/51/543094251.db2.gz QFPOXFXMHRGFBK-UHFFFAOYSA-N 1 3 372.513 2.161 20 0 FEADHO C[N@H+](Cc1ccccc1)CC1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000103142972 543094254 /nfs/dbraw/zinc/09/42/54/543094254.db2.gz QFPOXFXMHRGFBK-UHFFFAOYSA-N 1 3 372.513 2.161 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000103212678 543097206 /nfs/dbraw/zinc/09/72/06/543097206.db2.gz KJUJCHQJUGCLHK-UHFFFAOYSA-N 1 3 363.893 2.091 20 0 FEADHO CN(C)[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000105244791 543166829 /nfs/dbraw/zinc/16/68/29/543166829.db2.gz OXGQPJXXAVSWEJ-WOJBJXKFSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C)[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000105244791 543166831 /nfs/dbraw/zinc/16/68/31/543166831.db2.gz OXGQPJXXAVSWEJ-WOJBJXKFSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106549411 543236824 /nfs/dbraw/zinc/23/68/24/543236824.db2.gz GEEVXVDISFQTJH-SFHVURJKSA-N 1 3 374.529 2.443 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106549411 543236826 /nfs/dbraw/zinc/23/68/26/543236826.db2.gz GEEVXVDISFQTJH-SFHVURJKSA-N 1 3 374.529 2.443 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000247472421 549338410 /nfs/dbraw/zinc/33/84/10/549338410.db2.gz SMTKKONYGINTEY-PXNSSMCTSA-N 1 3 358.530 2.383 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000247472421 549338418 /nfs/dbraw/zinc/33/84/18/549338418.db2.gz SMTKKONYGINTEY-PXNSSMCTSA-N 1 3 358.530 2.383 20 0 FEADHO CC[N@H+](CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1)C(C)C ZINC000118120186 543646447 /nfs/dbraw/zinc/64/64/47/543646447.db2.gz LNWPIPQLNHTKPM-UHFFFAOYSA-N 1 3 374.529 2.458 20 0 FEADHO CC[N@@H+](CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1)C(C)C ZINC000118120186 543646450 /nfs/dbraw/zinc/64/64/50/543646450.db2.gz LNWPIPQLNHTKPM-UHFFFAOYSA-N 1 3 374.529 2.458 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)[C@H](C)C1 ZINC000125902415 543908239 /nfs/dbraw/zinc/90/82/39/543908239.db2.gz XLLJSDLUKLRADL-NTDBWNAOSA-N 1 3 366.550 2.048 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)[C@H](C)C1 ZINC000125902415 543908240 /nfs/dbraw/zinc/90/82/40/543908240.db2.gz XLLJSDLUKLRADL-NTDBWNAOSA-N 1 3 366.550 2.048 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000128570196 544060440 /nfs/dbraw/zinc/06/04/40/544060440.db2.gz VTUHHADHDKQDTJ-IBGZPJMESA-N 1 3 374.529 2.313 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000128570196 544060443 /nfs/dbraw/zinc/06/04/43/544060443.db2.gz VTUHHADHDKQDTJ-IBGZPJMESA-N 1 3 374.529 2.313 20 0 FEADHO COc1ccc([C@@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)N2CCCC2)cc1 ZINC000133358847 544266303 /nfs/dbraw/zinc/26/63/03/544266303.db2.gz OYABYJZEGBECFU-SJLPKXTDSA-N 1 3 363.527 2.043 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@H](C)[S@@](C)=O)CC1 ZINC000133360688 544266503 /nfs/dbraw/zinc/26/65/03/544266503.db2.gz RWRUNBYVAPUULM-XDHUDOTRSA-N 1 3 351.560 2.465 20 0 FEADHO CN(c1ccccc1C[NH2+]CCCCN1CCOCC1)C1CCN(C)CC1 ZINC000133032560 544252826 /nfs/dbraw/zinc/25/28/26/544252826.db2.gz CDRJHUWMTHBCDW-UHFFFAOYSA-N 1 3 374.573 2.419 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccnc2-n2cccn2)[C@H](C)C1 ZINC000151449599 544542947 /nfs/dbraw/zinc/54/29/47/544542947.db2.gz GJSAECYJUDCYGK-MJGOQNOKSA-N 1 3 357.502 2.494 20 0 FEADHO Cc1ccc(Br)c(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000152683070 544683884 /nfs/dbraw/zinc/68/38/84/544683884.db2.gz BJZSIFBNRQURFK-UHFFFAOYSA-N 1 3 356.308 2.323 20 0 FEADHO COc1ccc2cccc(CC(=O)N(CCN(C)C)CC[NH+](C)C)c2c1 ZINC000153099197 544732851 /nfs/dbraw/zinc/73/28/51/544732851.db2.gz NBHNYESKNMHNLI-UHFFFAOYSA-N 1 3 357.498 2.343 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000181975801 327755208 /nfs/dbraw/zinc/75/52/08/327755208.db2.gz SCTDQRZFSIEPCI-ZCNNSNEGSA-N 1 3 371.525 2.415 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cncc(Br)c2)CC1 ZINC000186621101 327971503 /nfs/dbraw/zinc/97/15/03/327971503.db2.gz LVBRNBNFJYMSOU-AWEZNQCLSA-N 1 3 355.324 2.207 20 0 FEADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000189449187 328148898 /nfs/dbraw/zinc/14/88/98/328148898.db2.gz LZMLSZSIIROLRQ-IBGZPJMESA-N 1 3 374.529 2.458 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000192733124 328336079 /nfs/dbraw/zinc/33/60/79/328336079.db2.gz XRMTZLPXNYWENW-YQQQUEKLSA-N 1 3 365.543 2.229 20 0 FEADHO CC(C)N1CCN(CCC[NH+]2CCC(CN3CCCCC3=O)CC2)CC1 ZINC000192769545 328338768 /nfs/dbraw/zinc/33/87/68/328338768.db2.gz MLJOQEYJGKBKER-UHFFFAOYSA-N 1 3 364.578 2.127 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)CC1 ZINC000192774461 328338943 /nfs/dbraw/zinc/33/89/43/328338943.db2.gz FHZLXAHJIIKBRB-GOSISDBHSA-N 1 3 360.550 2.209 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)CC1 ZINC000192774461 328338944 /nfs/dbraw/zinc/33/89/44/328338944.db2.gz FHZLXAHJIIKBRB-GOSISDBHSA-N 1 3 360.550 2.209 20 0 FEADHO CCOC1CC(C[NH2+]C2CCN(C(C)(C)C)CC2)(N2CCOCC2)C1 ZINC000193393280 328372461 /nfs/dbraw/zinc/37/24/61/328372461.db2.gz PPDOFUPNWXCDNW-UHFFFAOYSA-N 1 3 353.551 2.109 20 0 FEADHO CCOC1CC(CNC2CC[NH+](C(C)(C)C)CC2)(N2CCOCC2)C1 ZINC000193393280 328372462 /nfs/dbraw/zinc/37/24/62/328372462.db2.gz PPDOFUPNWXCDNW-UHFFFAOYSA-N 1 3 353.551 2.109 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)C[C@@H]3CSCC[NH2+]3)c(C)c2)CC1 ZINC000237009620 328501019 /nfs/dbraw/zinc/50/10/19/328501019.db2.gz WIWCQGAXEALDDQ-MRXNPFEDSA-N 1 3 362.543 2.171 20 0 FEADHO COc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1F ZINC000076893846 324968080 /nfs/dbraw/zinc/96/80/80/324968080.db2.gz COLXFLCDBROACE-UHFFFAOYSA-N 1 3 359.445 2.416 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC1CCN(CCc2ccccc2)CC1 ZINC000079167098 325079277 /nfs/dbraw/zinc/07/92/77/325079277.db2.gz QFOMKJACRFSEBG-LJQANCHMSA-N 1 3 370.541 2.477 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC1CCN(CCc2ccccc2)CC1 ZINC000079167098 325079281 /nfs/dbraw/zinc/07/92/81/325079281.db2.gz QFOMKJACRFSEBG-LJQANCHMSA-N 1 3 370.541 2.477 20 0 FEADHO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000090395092 325357517 /nfs/dbraw/zinc/35/75/17/325357517.db2.gz XBVJHQBRIXWLDO-NVXWUHKLSA-N 1 3 373.501 2.031 20 0 FEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC3CCN(c4ccncc4)CC3)CC[C@@H]21 ZINC000091233383 325382185 /nfs/dbraw/zinc/38/21/85/325382185.db2.gz CQLGBNANZCAZPK-QUCCMNQESA-N 1 3 371.529 2.424 20 0 FEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NCC3CCN(c4ccncc4)CC3)CC[C@@H]21 ZINC000091233383 325382187 /nfs/dbraw/zinc/38/21/87/325382187.db2.gz CQLGBNANZCAZPK-QUCCMNQESA-N 1 3 371.529 2.424 20 0 FEADHO Cc1oc(-c2ccccc2)nc1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103210805 325509869 /nfs/dbraw/zinc/50/98/69/325509869.db2.gz DBSYEXQSQKKFRK-UHFFFAOYSA-N 1 3 358.486 2.144 20 0 FEADHO C[C@@H]1[C@H](C)SCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000118480360 326091807 /nfs/dbraw/zinc/09/18/07/326091807.db2.gz ZWBMEIXOCRURNT-CABCVRRESA-N 1 3 354.564 2.080 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000119080964 326124804 /nfs/dbraw/zinc/12/48/04/326124804.db2.gz YNWUNXNQCDFCFH-UWJYYQICSA-N 1 3 373.541 2.446 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC[N@H+]1C ZINC000119080964 326124805 /nfs/dbraw/zinc/12/48/05/326124805.db2.gz YNWUNXNQCDFCFH-UWJYYQICSA-N 1 3 373.541 2.446 20 0 FEADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000119423483 326161050 /nfs/dbraw/zinc/16/10/50/326161050.db2.gz FHTMSGHUBQVIQY-HUUCEWRRSA-N 1 3 361.486 2.495 20 0 FEADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000119423483 326161053 /nfs/dbraw/zinc/16/10/53/326161053.db2.gz FHTMSGHUBQVIQY-HUUCEWRRSA-N 1 3 361.486 2.495 20 0 FEADHO C[NH+](C)CC1CCC(NC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000119960050 326216277 /nfs/dbraw/zinc/21/62/77/326216277.db2.gz MHRUABAKRHJSHM-UHFFFAOYSA-N 1 3 372.557 2.435 20 0 FEADHO C[C@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)CN1CCN(C)CC1 ZINC000120876818 326295133 /nfs/dbraw/zinc/29/51/33/326295133.db2.gz RTBSCIQZBXFNOB-MOPGFXCFSA-N 1 3 362.562 2.161 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000125408002 326471183 /nfs/dbraw/zinc/47/11/83/326471183.db2.gz JLDFQCLZOGOWAM-UHFFFAOYSA-N 1 3 368.566 2.295 20 0 FEADHO C[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CC1 ZINC000129113948 326534910 /nfs/dbraw/zinc/53/49/10/326534910.db2.gz DWFQAGBHOSVBRX-UHFFFAOYSA-N 1 3 372.513 2.069 20 0 FEADHO [NH3+][C@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000152061742 326697874 /nfs/dbraw/zinc/69/78/74/326697874.db2.gz GYGYZLQRERDLFU-OAQYLSRUSA-N 1 3 366.509 2.405 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000155631921 326797328 /nfs/dbraw/zinc/79/73/28/326797328.db2.gz NQOHHKJHKOGUIG-HZPDHXFCSA-N 1 3 365.518 2.389 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000168889615 327087866 /nfs/dbraw/zinc/08/78/66/327087866.db2.gz HJBCHODGFWAPPB-GOSISDBHSA-N 1 3 367.534 2.342 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000170962831 327110235 /nfs/dbraw/zinc/11/02/35/327110235.db2.gz ASGUORZAFATUMP-FQEVSTJZSA-N 1 3 373.545 2.382 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000170962831 327110236 /nfs/dbraw/zinc/11/02/36/327110236.db2.gz ASGUORZAFATUMP-FQEVSTJZSA-N 1 3 373.545 2.382 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171043312 327114161 /nfs/dbraw/zinc/11/41/61/327114161.db2.gz MQKIUCFAWHUXOP-KRWDZBQOSA-N 1 3 366.575 2.228 20 0 FEADHO C[NH+]1CCC(CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000171633212 327150128 /nfs/dbraw/zinc/15/01/28/327150128.db2.gz NTLPUTADVGDWNQ-UHFFFAOYSA-N 1 3 358.530 2.464 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000173180649 327239688 /nfs/dbraw/zinc/23/96/88/327239688.db2.gz MUMJSPZSYIUWQD-WOJBJXKFSA-N 1 3 372.557 2.448 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000173180649 327239689 /nfs/dbraw/zinc/23/96/89/327239689.db2.gz MUMJSPZSYIUWQD-WOJBJXKFSA-N 1 3 372.557 2.448 20 0 FEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1cccc(CN(C)C)c1)C2 ZINC000173278956 327246282 /nfs/dbraw/zinc/24/62/82/327246282.db2.gz CXZDHLZZQYIKOP-RBUKOAKNSA-N 1 3 372.513 2.160 20 0 FEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1cccc(CN(C)C)c1)C2 ZINC000173278956 327246283 /nfs/dbraw/zinc/24/62/83/327246283.db2.gz CXZDHLZZQYIKOP-RBUKOAKNSA-N 1 3 372.513 2.160 20 0 FEADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173316928 327249389 /nfs/dbraw/zinc/24/93/89/327249389.db2.gz QYHYZEYUBCNSHE-LSDHHAIUSA-N 1 3 351.516 2.072 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000173567967 327266991 /nfs/dbraw/zinc/26/69/91/327266991.db2.gz JENYBPCKSIASJU-IBGZPJMESA-N 1 3 372.513 2.067 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000173567967 327266992 /nfs/dbraw/zinc/26/69/92/327266992.db2.gz JENYBPCKSIASJU-IBGZPJMESA-N 1 3 372.513 2.067 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nc(C)cs1 ZINC000173619481 327271448 /nfs/dbraw/zinc/27/14/48/327271448.db2.gz FLKQKMOSRFXPTQ-HNNXBMFYSA-N 1 3 353.536 2.009 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nc(C)cs1 ZINC000173619481 327271450 /nfs/dbraw/zinc/27/14/50/327271450.db2.gz FLKQKMOSRFXPTQ-HNNXBMFYSA-N 1 3 353.536 2.009 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174192794 327311879 /nfs/dbraw/zinc/31/18/79/327311879.db2.gz CAPAHHUHUWZSQF-VQTJNVASSA-N 1 3 358.530 2.287 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000174709014 327344666 /nfs/dbraw/zinc/34/46/66/327344666.db2.gz ORLHUPBPXOEZHY-SFTDATJTSA-N 1 3 368.525 2.207 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000174709014 327344667 /nfs/dbraw/zinc/34/46/67/327344667.db2.gz ORLHUPBPXOEZHY-SFTDATJTSA-N 1 3 368.525 2.207 20 0 FEADHO CSc1ccccc1NC(=O)[C@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174713615 327344876 /nfs/dbraw/zinc/34/48/76/327344876.db2.gz NMEAPEKPIPZFMK-INIZCTEOSA-N 1 3 364.559 2.305 20 0 FEADHO C[C@@H]1C[NH+](CCC2CCN(Cc3cccc(C(N)=O)c3)CC2)C[C@@H](C)O1 ZINC000177505087 327527206 /nfs/dbraw/zinc/52/72/06/327527206.db2.gz YBKPYLLFUMDVSC-IAGOWNOFSA-N 1 3 359.514 2.497 20 0 FEADHO CCC[C@@](C)(N)C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262172532 328848068 /nfs/dbraw/zinc/84/80/68/328848068.db2.gz XPVHOGSCCVKMIS-TZIWHRDSSA-N 1 3 361.530 2.408 20 0 FEADHO C[C@H]1C[C@@H](C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000262333710 328859670 /nfs/dbraw/zinc/85/96/70/328859670.db2.gz FIRGQIGNHARWGZ-DWRORGKVSA-N 1 3 351.535 2.112 20 0 FEADHO C[C@H](CC(=O)NCc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000262637312 328878045 /nfs/dbraw/zinc/87/80/45/328878045.db2.gz IIUGZVZOANRZRG-XLIONFOSSA-N 1 3 373.541 2.285 20 0 FEADHO COCCN(CC[NH+](C)C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000264288394 329007423 /nfs/dbraw/zinc/00/74/23/329007423.db2.gz UBGSXFCINAZSFD-MRXNPFEDSA-N 1 3 368.547 2.105 20 0 FEADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCCN2CCN(CC)CC2)cc1 ZINC000264906349 329073283 /nfs/dbraw/zinc/07/32/83/329073283.db2.gz MNBUUENBWQXNDE-UHFFFAOYSA-N 1 3 360.546 2.286 20 0 FEADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCN2CCN(CC)CC2)cc1 ZINC000264906349 329073285 /nfs/dbraw/zinc/07/32/85/329073285.db2.gz MNBUUENBWQXNDE-UHFFFAOYSA-N 1 3 360.546 2.286 20 0 FEADHO CN(C)[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000267252038 329307270 /nfs/dbraw/zinc/30/72/70/329307270.db2.gz ZWWCQIBWRKMUIQ-WMZOPIPTSA-N 1 3 350.532 2.026 20 0 FEADHO CSCC[C@@H](N)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000272414352 329778937 /nfs/dbraw/zinc/77/89/37/329778937.db2.gz GECQXJDKXUFABJ-GOSISDBHSA-N 1 3 362.543 2.238 20 0 FEADHO C[NH+](C)CCc1ccccc1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000275658842 330075437 /nfs/dbraw/zinc/07/54/37/330075437.db2.gz NVJRHNYKMWUPKR-UHFFFAOYSA-N 1 3 374.529 2.367 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279083870 330173985 /nfs/dbraw/zinc/17/39/85/330173985.db2.gz VOEWBCGLIODOCJ-OAHLLOKOSA-N 1 3 373.526 2.190 20 0 FEADHO CN(Cc1ccc(-n2ccnc2)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367116423 330218636 /nfs/dbraw/zinc/21/86/36/330218636.db2.gz CJAXASWCNICFTJ-NRFANRHFSA-N 1 3 353.514 2.473 20 0 FEADHO CN(Cc1ccc(-n2ccnc2)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367116423 330218638 /nfs/dbraw/zinc/21/86/38/330218638.db2.gz CJAXASWCNICFTJ-NRFANRHFSA-N 1 3 353.514 2.473 20 0 FEADHO [NH3+]C1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000157650684 545767129 /nfs/dbraw/zinc/76/71/29/545767129.db2.gz BOTKMFDZPUYRAS-QGZVFWFLSA-N 1 3 355.404 2.391 20 0 FEADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000159129170 545923615 /nfs/dbraw/zinc/92/36/15/545923615.db2.gz FTZJKVPUBSDVIO-HNNXBMFYSA-N 1 3 369.531 2.210 20 0 FEADHO COCC1(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000479208249 561184707 /nfs/dbraw/zinc/18/47/07/561184707.db2.gz KZTBXWXSSYEGNN-FQEVSTJZSA-N 1 3 373.541 2.202 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000479335066 561187485 /nfs/dbraw/zinc/18/74/85/561187485.db2.gz KJDYFCFEFYIXBX-FUHWJXTLSA-N 1 3 362.518 2.251 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000479335066 561187486 /nfs/dbraw/zinc/18/74/86/561187486.db2.gz KJDYFCFEFYIXBX-FUHWJXTLSA-N 1 3 362.518 2.251 20 0 FEADHO Cc1cccc(C)c1NC(=O)CN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000479688019 561195035 /nfs/dbraw/zinc/19/50/35/561195035.db2.gz NYSCOYMGRVVRNH-UHFFFAOYSA-N 1 3 358.530 2.249 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481064797 561224315 /nfs/dbraw/zinc/22/43/15/561224315.db2.gz XMJGVGPIWFASDY-ZHALLVOQSA-N 1 3 370.607 2.481 20 0 FEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000177856286 546696889 /nfs/dbraw/zinc/69/68/89/546696889.db2.gz IAKSDEMXJXNFOV-QGZVFWFLSA-N 1 3 368.591 2.331 20 0 FEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000177856286 546696895 /nfs/dbraw/zinc/69/68/95/546696895.db2.gz IAKSDEMXJXNFOV-QGZVFWFLSA-N 1 3 368.591 2.331 20 0 FEADHO CCN1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000481181061 561227281 /nfs/dbraw/zinc/22/72/81/561227281.db2.gz YNNDZXQXYIAQLM-SVFBPWRDSA-N 1 3 372.557 2.039 20 0 FEADHO CCN1CCN(C(=O)[C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000481181061 561227282 /nfs/dbraw/zinc/22/72/82/561227282.db2.gz YNNDZXQXYIAQLM-SVFBPWRDSA-N 1 3 372.557 2.039 20 0 FEADHO CCN1CCN(C(=O)[C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000481181061 561227283 /nfs/dbraw/zinc/22/72/83/561227283.db2.gz YNNDZXQXYIAQLM-SVFBPWRDSA-N 1 3 372.557 2.039 20 0 FEADHO CN(CCCn1ccnc1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000181058385 547239766 /nfs/dbraw/zinc/23/97/66/547239766.db2.gz MOKCCYZOWUNKAR-UHFFFAOYSA-N 1 3 369.513 2.117 20 0 FEADHO C[C@@H](CO)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CCC1 ZINC000483140784 561268777 /nfs/dbraw/zinc/26/87/77/561268777.db2.gz REUUQCFPERRPCX-SFHVURJKSA-N 1 3 373.541 2.382 20 0 FEADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCCNc1ccncc1)C1CC1 ZINC000483680567 561281798 /nfs/dbraw/zinc/28/17/98/561281798.db2.gz KMMZSIACTLHOPN-HXUWFJFHSA-N 1 3 367.497 2.125 20 0 FEADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCCNc1ccncc1)C1CC1 ZINC000483680567 561281799 /nfs/dbraw/zinc/28/17/99/561281799.db2.gz KMMZSIACTLHOPN-HXUWFJFHSA-N 1 3 367.497 2.125 20 0 FEADHO CN(C)[C@@]1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCSC1 ZINC000483820057 561284613 /nfs/dbraw/zinc/28/46/13/561284613.db2.gz OBQGBBNQGYSKLY-GOSISDBHSA-N 1 3 354.564 2.130 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN(CCOC(C)C)CC2)C[C@@H]1C ZINC000483824618 561284788 /nfs/dbraw/zinc/28/47/88/561284788.db2.gz UQLRTFQPLYGQAQ-HKUYNNGSSA-N 1 3 368.566 2.390 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(CCOC(C)C)CC2)C[C@@H]1C ZINC000483824618 561284789 /nfs/dbraw/zinc/28/47/89/561284789.db2.gz UQLRTFQPLYGQAQ-HKUYNNGSSA-N 1 3 368.566 2.390 20 0 FEADHO O=C(NCCNc1cc[nH+]cc1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000485709973 561326360 /nfs/dbraw/zinc/32/63/60/561326360.db2.gz QWKMGYFVJSWNEI-GOSISDBHSA-N 1 3 374.435 2.189 20 0 FEADHO CCN(CC)[C@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000485773681 561327631 /nfs/dbraw/zinc/32/76/31/561327631.db2.gz HUCITDLYYMEPCD-ZWKOTPCHSA-N 1 3 370.501 2.016 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CCN1Cc1ccccc1 ZINC000485817442 561328876 /nfs/dbraw/zinc/32/88/76/561328876.db2.gz PCNDKLMJQLBOLC-NXHRZFHOSA-N 1 3 367.497 2.270 20 0 FEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000186704042 548177208 /nfs/dbraw/zinc/17/72/08/548177208.db2.gz GWEHVVQPTYMUDS-CPUCHLNUSA-N 1 3 369.506 2.184 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)CC[N@H+](C)C2CC2)CC1 ZINC000186758554 548186851 /nfs/dbraw/zinc/18/68/51/548186851.db2.gz HPKNFZWBWPMNAL-UHFFFAOYSA-N 1 3 372.557 2.055 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)CC[N@@H+](C)C2CC2)CC1 ZINC000186758554 548186856 /nfs/dbraw/zinc/18/68/56/548186856.db2.gz HPKNFZWBWPMNAL-UHFFFAOYSA-N 1 3 372.557 2.055 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000187023654 548243144 /nfs/dbraw/zinc/24/31/44/548243144.db2.gz SENWKWQJZIGIGG-NQIIRXRSSA-N 1 3 373.541 2.298 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC1CCN(C2CC2)CC1 ZINC000193985443 548417648 /nfs/dbraw/zinc/41/76/48/548417648.db2.gz SSVKLBDLRZRDHK-SFHVURJKSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CCN(C2CC2)CC1 ZINC000193985443 548417652 /nfs/dbraw/zinc/41/76/52/548417652.db2.gz SSVKLBDLRZRDHK-SFHVURJKSA-N 1 3 356.514 2.435 20 0 FEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000486660796 561353811 /nfs/dbraw/zinc/35/38/11/561353811.db2.gz WBRLCQNIZZNYLC-NZSAHSFTSA-N 1 3 367.497 2.466 20 0 FEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000486660796 561353812 /nfs/dbraw/zinc/35/38/12/561353812.db2.gz WBRLCQNIZZNYLC-NZSAHSFTSA-N 1 3 367.497 2.466 20 0 FEADHO CSC1(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCC1 ZINC000194935653 548553400 /nfs/dbraw/zinc/55/34/00/548553400.db2.gz JESOABJHERYERZ-UHFFFAOYSA-N 1 3 354.564 2.130 20 0 FEADHO CC[NH2+]CC1CCN(C(=O)c2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC000236856146 548784578 /nfs/dbraw/zinc/78/45/78/548784578.db2.gz BZMLYTRGAOCMRK-UHFFFAOYSA-N 1 3 358.530 2.290 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2CCCCN2)cc1OC ZINC000236882406 548785417 /nfs/dbraw/zinc/78/54/17/548785417.db2.gz KMWNNMVEQVHDNU-KRWDZBQOSA-N 1 3 363.502 2.174 20 0 FEADHO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000236924586 548789358 /nfs/dbraw/zinc/78/93/58/548789358.db2.gz PZLNBZOEVHZZJI-QGTPRVQTSA-N 1 3 360.502 2.165 20 0 FEADHO C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)[C@@H](N)c1ccccc1 ZINC000237429998 548826095 /nfs/dbraw/zinc/82/60/95/548826095.db2.gz VBOJDPANBXHUKA-PKOBYXMFSA-N 1 3 359.514 2.474 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])CC2)c1 ZINC000237529499 548832815 /nfs/dbraw/zinc/83/28/15/548832815.db2.gz YAMHPPQBMVCUDO-AZUAARDMSA-N 1 3 358.530 2.235 20 0 FEADHO CN1CCN(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000245698899 548978084 /nfs/dbraw/zinc/97/80/84/548978084.db2.gz LJRXBXAGRXPCSD-KOUNCHBCSA-N 1 3 356.558 2.409 20 0 FEADHO C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245781531 548993455 /nfs/dbraw/zinc/99/34/55/548993455.db2.gz YYOJAPVFGZVPEM-JKLQHZFJSA-N 1 3 356.558 2.408 20 0 FEADHO C[C@@H](CN1CCN(C)CC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245781531 548993457 /nfs/dbraw/zinc/99/34/57/548993457.db2.gz YYOJAPVFGZVPEM-JKLQHZFJSA-N 1 3 356.558 2.408 20 0 FEADHO C[C@@H](CN1CCN(C)CC1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245781531 548993460 /nfs/dbraw/zinc/99/34/60/548993460.db2.gz YYOJAPVFGZVPEM-JKLQHZFJSA-N 1 3 356.558 2.408 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccco1)[N@@H+]1CCC[C@H](C)C1 ZINC000245878767 549008515 /nfs/dbraw/zinc/00/85/15/549008515.db2.gz SIXFVSMEWSDKCZ-DLBZAZTESA-N 1 3 350.507 2.473 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccco1)[N@H+]1CCC[C@H](C)C1 ZINC000245878767 549008520 /nfs/dbraw/zinc/00/85/20/549008520.db2.gz SIXFVSMEWSDKCZ-DLBZAZTESA-N 1 3 350.507 2.473 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000246060846 549043298 /nfs/dbraw/zinc/04/32/98/549043298.db2.gz ADCLVBQXUWXCAN-NHCUHLMSSA-N 1 3 370.541 2.431 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000246060846 549043304 /nfs/dbraw/zinc/04/33/04/549043304.db2.gz ADCLVBQXUWXCAN-NHCUHLMSSA-N 1 3 370.541 2.431 20 0 FEADHO CC(C)C[C@H](CNC(=O)[C@@H]1CN2CCN1CCC2)[NH2+][C@H](C)c1ccccc1 ZINC000488279815 561387350 /nfs/dbraw/zinc/38/73/50/561387350.db2.gz JRXILZWMXCTEQB-NRSPTQNISA-N 1 3 372.557 2.258 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1Cc2ccccc21 ZINC000246153020 549064043 /nfs/dbraw/zinc/06/40/43/549064043.db2.gz KIQNDRDETSVKOD-RTBURBONSA-N 1 3 358.530 2.384 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1Cc2ccccc21 ZINC000246153020 549064047 /nfs/dbraw/zinc/06/40/47/549064047.db2.gz KIQNDRDETSVKOD-RTBURBONSA-N 1 3 358.530 2.384 20 0 FEADHO C[C@H](C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@@H](N)c1ccccc1 ZINC000246184565 549071745 /nfs/dbraw/zinc/07/17/45/549071745.db2.gz CLJATTQVFHXHAF-WERVVEIQSA-N 1 3 372.557 2.340 20 0 FEADHO CCC(CC)(CNC(=O)[C@H]1CN2CCN1CCC2)[NH2+][C@H](C)c1ccccc1 ZINC000488389088 561389024 /nfs/dbraw/zinc/38/90/24/561389024.db2.gz IIXPPRNWDUGZJD-UYAOXDASSA-N 1 3 372.557 2.402 20 0 FEADHO CSC[C@@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000488503512 561390912 /nfs/dbraw/zinc/39/09/12/561390912.db2.gz ORYGIXAVLAADRZ-MRXNPFEDSA-N 1 3 368.591 2.330 20 0 FEADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccn[nH]1 ZINC000248394252 549426975 /nfs/dbraw/zinc/42/69/75/549426975.db2.gz FJZVCSITAVZZPH-CEXWTWQISA-N 1 3 367.497 2.030 20 0 FEADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccn[nH]1 ZINC000248394252 549426981 /nfs/dbraw/zinc/42/69/81/549426981.db2.gz FJZVCSITAVZZPH-CEXWTWQISA-N 1 3 367.497 2.030 20 0 FEADHO O=C1OCC[C@]12CCCN2CCCCCC[N@@H+]1CCC[C@]12CCOC2=O ZINC000249534744 549602088 /nfs/dbraw/zinc/60/20/88/549602088.db2.gz CCLABCZJRIKJCZ-WOJBJXKFSA-N 1 3 364.486 2.110 20 0 FEADHO O=C1OCC[C@]12CCCN2CCCCCC[N@H+]1CCC[C@]12CCOC2=O ZINC000249534744 549602090 /nfs/dbraw/zinc/60/20/90/549602090.db2.gz CCLABCZJRIKJCZ-WOJBJXKFSA-N 1 3 364.486 2.110 20 0 FEADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)C[C@@H](C)C1 ZINC000489987896 561424017 /nfs/dbraw/zinc/42/40/17/561424017.db2.gz DUWHJDNXHJJPOS-KSZLIROESA-N 1 3 350.551 2.480 20 0 FEADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000261615291 549734928 /nfs/dbraw/zinc/73/49/28/549734928.db2.gz GQDVPSUZYSVNCN-JREAUHRESA-N 1 3 370.541 2.221 20 0 FEADHO Cc1cc(NC(=O)[C@H](N)C2CCOCC2)ccc1OCC[NH+]1CCCC1 ZINC000261838184 549761527 /nfs/dbraw/zinc/76/15/27/549761527.db2.gz QKWQLYLMVPEVOO-LJQANCHMSA-N 1 3 361.486 2.162 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1)[C@H]1CCC[NH2+]1 ZINC000261887764 549767175 /nfs/dbraw/zinc/76/71/75/549767175.db2.gz QEBMKYIHSNJQOV-OXJNMPFZSA-N 1 3 352.482 2.315 20 0 FEADHO N[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCOCC1 ZINC000261911269 549768395 /nfs/dbraw/zinc/76/83/95/549768395.db2.gz XQSONHHNKODQSW-NXEWRWPSSA-N 1 3 357.498 2.052 20 0 FEADHO N[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCOCC1 ZINC000261911269 549768399 /nfs/dbraw/zinc/76/83/99/549768399.db2.gz XQSONHHNKODQSW-NXEWRWPSSA-N 1 3 357.498 2.052 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2ccc(OC(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261944739 549772987 /nfs/dbraw/zinc/77/29/87/549772987.db2.gz YBYYHIHHIIXEIK-NVXWUHKLSA-N 1 3 367.440 2.368 20 0 FEADHO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000261961378 549774750 /nfs/dbraw/zinc/77/47/50/549774750.db2.gz OWRGXKZPXGQQJN-CQSZACIVSA-N 1 3 368.319 2.468 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2c[nH]nc2-c2ccsc2)C1)[C@@H]1CCC[NH2+]1 ZINC000262047618 549783715 /nfs/dbraw/zinc/78/37/15/549783715.db2.gz ZDMCKNNNPGPBMU-YOEHRIQHSA-N 1 3 373.526 2.218 20 0 FEADHO c1cc(COc2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)ccn1 ZINC000262113499 549789279 /nfs/dbraw/zinc/78/92/79/549789279.db2.gz KUUJVVNDZDRJFJ-HXUWFJFHSA-N 1 3 352.482 2.140 20 0 FEADHO O=C(NC[C@@H]1CCCN(CCOc2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000262241879 549801773 /nfs/dbraw/zinc/80/17/73/549801773.db2.gz PDOOAZWKCTXNRO-YJBOKZPZSA-N 1 3 365.905 2.299 20 0 FEADHO CN1CCC[C@@H](CNC(=O)C2(C[NH3+])CCOCC2)[C@@H]1c1cccs1 ZINC000262287796 549806937 /nfs/dbraw/zinc/80/69/37/549806937.db2.gz OLUSTPXHYYPXDF-GOEBONIOSA-N 1 3 351.516 2.003 20 0 FEADHO C[C@H]1CN(CC2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)CC2)C[C@H](C)O1 ZINC000262409581 549817703 /nfs/dbraw/zinc/81/77/03/549817703.db2.gz QKLSXGDJBLTGOD-MEZWHVQBSA-N 1 3 363.546 2.114 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000262767398 549847975 /nfs/dbraw/zinc/84/79/75/549847975.db2.gz GMZYHGNHSYEUQK-NNMXDRDESA-N 1 3 373.541 2.499 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000262767398 549847977 /nfs/dbraw/zinc/84/79/77/549847977.db2.gz GMZYHGNHSYEUQK-NNMXDRDESA-N 1 3 373.541 2.499 20 0 FEADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000263184984 549883804 /nfs/dbraw/zinc/88/38/04/549883804.db2.gz HFDIXQZHNPGAAU-MMOPVJDHSA-N 1 3 372.513 2.230 20 0 FEADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000263184982 549883835 /nfs/dbraw/zinc/88/38/35/549883835.db2.gz HFDIXQZHNPGAAU-MDKPJZGXSA-N 1 3 372.513 2.230 20 0 FEADHO C[C@H](CC[S@@](C)=O)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000268455556 550068953 /nfs/dbraw/zinc/06/89/53/550068953.db2.gz XSHWFNNMKSKIBO-VOIUYBSRSA-N 1 3 351.560 2.464 20 0 FEADHO COc1ccc([C@H](C)NCCCN2CCC[C@H]2C(=O)N(C)C)c(F)c1 ZINC000268852764 550123658 /nfs/dbraw/zinc/12/36/58/550123658.db2.gz PMPLCQJDLBEDNT-KSSFIOAISA-N 1 3 351.466 2.428 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000269277940 550175882 /nfs/dbraw/zinc/17/58/82/550175882.db2.gz YONFKONXSQQTQO-RLLQIKCJSA-N 1 3 359.514 2.206 20 0 FEADHO CCCN(CCN1CCCC1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000493924826 561459495 /nfs/dbraw/zinc/45/94/95/561459495.db2.gz GUIVEEHRPAARMD-UHFFFAOYSA-N 1 3 366.550 2.149 20 0 FEADHO CCN1CCCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC000271040438 550334045 /nfs/dbraw/zinc/33/40/45/550334045.db2.gz NPEMGPZHTKNHSZ-UHFFFAOYSA-N 1 3 359.514 2.059 20 0 FEADHO C[C@@H](NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1)C1=CCN(C)CC1 ZINC000272637165 550462235 /nfs/dbraw/zinc/46/22/35/550462235.db2.gz AQXFEGIHVCOPIQ-QGZVFWFLSA-N 1 3 374.529 2.119 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2nccnc21 ZINC000273254958 550491960 /nfs/dbraw/zinc/49/19/60/550491960.db2.gz JTYDKIGDHFNUAL-INIZCTEOSA-N 1 3 355.486 2.118 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2nccnc21 ZINC000273254958 550491961 /nfs/dbraw/zinc/49/19/61/550491961.db2.gz JTYDKIGDHFNUAL-INIZCTEOSA-N 1 3 355.486 2.118 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)c2)CC1 ZINC000274818494 550557157 /nfs/dbraw/zinc/55/71/57/550557157.db2.gz NXFAMQZIQROGQG-FXAWDEMLSA-N 1 3 371.529 2.386 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)c2)CC1 ZINC000274818494 550557159 /nfs/dbraw/zinc/55/71/59/550557159.db2.gz NXFAMQZIQROGQG-FXAWDEMLSA-N 1 3 371.529 2.386 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000494685996 561474190 /nfs/dbraw/zinc/47/41/90/561474190.db2.gz AEGOXJZRZVTHJA-BZSNNMDCSA-N 1 3 366.550 2.144 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000494685996 561474191 /nfs/dbraw/zinc/47/41/91/561474191.db2.gz AEGOXJZRZVTHJA-BZSNNMDCSA-N 1 3 366.550 2.144 20 0 FEADHO CN(C)Cc1ccccc1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000494738648 561475561 /nfs/dbraw/zinc/47/55/61/561475561.db2.gz YJHDNTQASCFZBO-UHFFFAOYSA-N 1 3 356.470 2.014 20 0 FEADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC[NH+](C2CC2)CC1 ZINC000278648822 550807868 /nfs/dbraw/zinc/80/78/68/550807868.db2.gz BBCCJIFQKVCTKM-OAQYLSRUSA-N 1 3 371.525 2.268 20 0 FEADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000278742759 550816896 /nfs/dbraw/zinc/81/68/96/550816896.db2.gz WSEGYLGHXYLANS-HOTGVXAUSA-N 1 3 369.531 2.210 20 0 FEADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000278742759 550816897 /nfs/dbraw/zinc/81/68/97/550816897.db2.gz WSEGYLGHXYLANS-HOTGVXAUSA-N 1 3 369.531 2.210 20 0 FEADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279066019 550852405 /nfs/dbraw/zinc/85/24/05/550852405.db2.gz SXBOMJJADYUBHL-APWZRJJASA-N 1 3 353.470 2.054 20 0 FEADHO C[C@H](NC(=O)NCCNc1ccncc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498692352 561531968 /nfs/dbraw/zinc/53/19/68/561531968.db2.gz XSIGRDMSYOVFOS-HKUYNNGSSA-N 1 3 367.497 2.125 20 0 FEADHO C[C@H](NC(=O)NCCNc1ccncc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498692352 561531969 /nfs/dbraw/zinc/53/19/69/561531969.db2.gz XSIGRDMSYOVFOS-HKUYNNGSSA-N 1 3 367.497 2.125 20 0 FEADHO CN(c1ccccc1C[NH2+]CCC1(O)CCOCC1)C1CCN(C)CC1 ZINC000285587412 551779051 /nfs/dbraw/zinc/77/90/51/551779051.db2.gz UKMNEJIOHKCCAJ-UHFFFAOYSA-N 1 3 361.530 2.238 20 0 FEADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000285769259 551807855 /nfs/dbraw/zinc/80/78/55/551807855.db2.gz SROGSSMKYRUWMS-GOSISDBHSA-N 1 3 369.513 2.019 20 0 FEADHO c1ccc(CN2CC[C@H](N3CCN(CC[NH+]4CCCCC4)CC3)C2)cc1 ZINC000286221097 551862762 /nfs/dbraw/zinc/86/27/62/551862762.db2.gz YUCYLLREJHCOES-QFIPXVFZSA-N 1 3 356.558 2.364 20 0 FEADHO CN(C)C[C@@H](NC(=O)NCCC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000287294776 551986390 /nfs/dbraw/zinc/98/63/90/551986390.db2.gz FWFPGLKTANRCQY-GOSISDBHSA-N 1 3 350.482 2.460 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000287316718 551988687 /nfs/dbraw/zinc/98/86/87/551988687.db2.gz DFJDCPAXCMYUAP-JKSUJKDBSA-N 1 3 373.419 2.178 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)N3CC[C@H](C[NH+](C)C)C3)cc2)CC1 ZINC000287892135 552059744 /nfs/dbraw/zinc/05/97/44/552059744.db2.gz QNBCLUKWCUYYEW-GOSISDBHSA-N 1 3 374.529 2.253 20 0 FEADHO C[NH+](C)CCCOc1cnccc1CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000290682149 552519074 /nfs/dbraw/zinc/51/90/74/552519074.db2.gz QNGJVDJMWUEDQT-IBGZPJMESA-N 1 3 374.529 2.435 20 0 FEADHO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000291155796 552594096 /nfs/dbraw/zinc/59/40/96/552594096.db2.gz ZLMMIRALQFAHMO-UHFFFAOYSA-N 1 3 355.438 2.361 20 0 FEADHO CCOc1cc(C[NH2+]C[C@@H](C)CN(C)C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000291764929 552659511 /nfs/dbraw/zinc/65/95/11/552659511.db2.gz RZAOFIFLZAPAFP-CVEARBPZSA-N 1 3 365.518 2.228 20 0 FEADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCC3CCN(c4ccncc4)CC3)C2)C1 ZINC000292381473 552721719 /nfs/dbraw/zinc/72/17/19/552721719.db2.gz RNUXAIRTLFMBOP-HXUWFJFHSA-N 1 3 357.502 2.035 20 0 FEADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NCC3CCN(c4ccncc4)CC3)C2)C1 ZINC000292381473 552721721 /nfs/dbraw/zinc/72/17/21/552721721.db2.gz RNUXAIRTLFMBOP-HXUWFJFHSA-N 1 3 357.502 2.035 20 0 FEADHO COCCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000292865326 552766448 /nfs/dbraw/zinc/76/64/48/552766448.db2.gz RYCVVXJBMIQDIE-SFHLNBCPSA-N 1 3 362.514 2.031 20 0 FEADHO COCCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000292865326 552766450 /nfs/dbraw/zinc/76/64/50/552766450.db2.gz RYCVVXJBMIQDIE-SFHLNBCPSA-N 1 3 362.514 2.031 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4c(c3)CCCC4=O)CC2)CC1 ZINC000293204795 552799055 /nfs/dbraw/zinc/79/90/55/552799055.db2.gz XVDMQHUFGKNHBA-UHFFFAOYSA-N 1 3 369.509 2.494 20 0 FEADHO C[NH+](C)CCn1nccc1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000296732164 553204011 /nfs/dbraw/zinc/20/40/11/553204011.db2.gz BWMMORCWZRWQGM-SFHVURJKSA-N 1 3 370.501 2.231 20 0 FEADHO C[C@H]1CN(c2ccccc2C[NH2+]CCN2CCN(C)C(C)(C)C2)CCO1 ZINC000298204425 553397822 /nfs/dbraw/zinc/39/78/22/553397822.db2.gz YHGFTVHQUWDOCI-SFHVURJKSA-N 1 3 360.546 2.027 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000298677653 553457506 /nfs/dbraw/zinc/45/75/06/553457506.db2.gz UWBSFTDBOPSYQC-OALUTQOASA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000298677653 553457507 /nfs/dbraw/zinc/45/75/07/553457507.db2.gz UWBSFTDBOPSYQC-OALUTQOASA-N 1 3 360.502 2.053 20 0 FEADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)NC1CC[NH+](CC2CC2)CC1 ZINC000298877734 553484312 /nfs/dbraw/zinc/48/43/12/553484312.db2.gz NITZWXWQBPGDKW-FQEVSTJZSA-N 1 3 356.514 2.435 20 0 FEADHO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000504562176 561659826 /nfs/dbraw/zinc/65/98/26/561659826.db2.gz XFPSDRJCNMTSDN-MAUKXSAKSA-N 1 3 357.564 2.091 20 0 FEADHO C[C@H]([NH3+])C1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000316000781 553760895 /nfs/dbraw/zinc/76/08/95/553760895.db2.gz JACYWUCMWRHRNM-NSHDSACASA-N 1 3 365.275 2.016 20 0 FEADHO C[NH+](C)CCOCCNCc1cc(Br)c2c(c1)OCCCO2 ZINC000318488113 553762837 /nfs/dbraw/zinc/76/28/37/553762837.db2.gz WLSXQBCGQVLMLM-UHFFFAOYSA-N 1 3 373.291 2.278 20 0 FEADHO C[NH+]1CCC(C)(CNC(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000507854634 561743356 /nfs/dbraw/zinc/74/33/56/561743356.db2.gz HBYXBXRDNBLVRQ-UHFFFAOYSA-N 1 3 372.557 2.437 20 0 FEADHO C[C@H](CN1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331195688 554228782 /nfs/dbraw/zinc/22/87/82/554228782.db2.gz NKJVVRIRYVYZCJ-JKSUJKDBSA-N 1 3 353.532 2.147 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000332541696 554467860 /nfs/dbraw/zinc/46/78/60/554467860.db2.gz XHTIJDHCWZVWDP-ZAWLATJESA-N 1 3 366.550 2.035 20 0 FEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000333226442 554591322 /nfs/dbraw/zinc/59/13/22/554591322.db2.gz BBOUCJXFQGIHBD-APWZRJJASA-N 1 3 365.543 2.065 20 0 FEADHO CN1CCC2(CCCN2C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000333492133 554618084 /nfs/dbraw/zinc/61/80/84/554618084.db2.gz GVSBTVZBCOELRG-UHFFFAOYSA-N 1 3 360.546 2.410 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000333918968 554656117 /nfs/dbraw/zinc/65/61/17/554656117.db2.gz OOZBMYDQBSTMQC-IHPCNDPISA-N 1 3 356.514 2.338 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333944718 554659132 /nfs/dbraw/zinc/65/91/32/554659132.db2.gz SGBPLUBPKFTKEO-IXDOHACOSA-N 1 3 366.575 2.035 20 0 FEADHO CC(C)(CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)N1CCc2ccccc2C1 ZINC000333946131 554659580 /nfs/dbraw/zinc/65/95/80/554659580.db2.gz UHWWGIHUWMUYSR-FHWLQOOXSA-N 1 3 356.514 2.202 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000334045916 554672117 /nfs/dbraw/zinc/67/21/17/554672117.db2.gz QBTHYLAKWYRRSB-OAQYLSRUSA-N 1 3 371.525 2.271 20 0 FEADHO C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](N3CC=CC3)C2)[C@@H]1c1cccs1 ZINC000363494163 555120075 /nfs/dbraw/zinc/12/00/75/555120075.db2.gz ZJIMIVRRLXYRJY-SOLBZPMBSA-N 1 3 360.527 2.397 20 0 FEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000363520089 555126406 /nfs/dbraw/zinc/12/64/06/555126406.db2.gz CVRICDOJTOCBHC-QUCCMNQESA-N 1 3 373.545 2.467 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1c(C)nc2ccccc21 ZINC000512324402 561900517 /nfs/dbraw/zinc/90/05/17/561900517.db2.gz HBJATXSGDBSOBW-GOSISDBHSA-N 1 3 371.529 2.219 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1c(C)nc2ccccc21 ZINC000512324402 561900519 /nfs/dbraw/zinc/90/05/19/561900519.db2.gz HBJATXSGDBSOBW-GOSISDBHSA-N 1 3 371.529 2.219 20 0 FEADHO C[C@H](O)C[C@H]1CCCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000512477814 561906894 /nfs/dbraw/zinc/90/68/94/561906894.db2.gz ABDZDZIKNUUAKJ-SXLOBPIMSA-N 1 3 361.530 2.421 20 0 FEADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CCCCCC1 ZINC000365484793 555587850 /nfs/dbraw/zinc/58/78/50/555587850.db2.gz NGXBDSFMAQOWKF-AKHDSKFASA-N 1 3 351.535 2.257 20 0 FEADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CCCCCC1 ZINC000365484793 555587853 /nfs/dbraw/zinc/58/78/53/555587853.db2.gz NGXBDSFMAQOWKF-AKHDSKFASA-N 1 3 351.535 2.257 20 0 FEADHO CCN1CC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000367596319 556093184 /nfs/dbraw/zinc/09/31/84/556093184.db2.gz GZCIUYCQEMTQLT-NXHRZFHOSA-N 1 3 367.534 2.332 20 0 FEADHO CC[N@@H+]1CC[C@H](CN[C@@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000367596319 556093189 /nfs/dbraw/zinc/09/31/89/556093189.db2.gz GZCIUYCQEMTQLT-NXHRZFHOSA-N 1 3 367.534 2.332 20 0 FEADHO CC[N@H+]1CC[C@H](CN[C@@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000367596319 556093191 /nfs/dbraw/zinc/09/31/91/556093191.db2.gz GZCIUYCQEMTQLT-NXHRZFHOSA-N 1 3 367.534 2.332 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H](C)O1 ZINC000367640402 556102725 /nfs/dbraw/zinc/10/27/25/556102725.db2.gz YWVOIRZRHIIMPT-PTKMUVKOSA-N 1 3 351.535 2.146 20 0 FEADHO CNC(=O)C[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000514955677 561988657 /nfs/dbraw/zinc/98/86/57/561988657.db2.gz BCDWODBQEUZJFW-PKOBYXMFSA-N 1 3 359.514 2.029 20 0 FEADHO CNC(=O)C[C@H](C)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000514955677 561988658 /nfs/dbraw/zinc/98/86/58/561988658.db2.gz BCDWODBQEUZJFW-PKOBYXMFSA-N 1 3 359.514 2.029 20 0 FEADHO CNC(=O)C[C@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000514955677 561988659 /nfs/dbraw/zinc/98/86/59/561988659.db2.gz BCDWODBQEUZJFW-PKOBYXMFSA-N 1 3 359.514 2.029 20 0 FEADHO CC1CC[NH+](CC2CCN(C[C@H](O)COCC(F)(F)F)CC2)CC1 ZINC000367911410 556170574 /nfs/dbraw/zinc/17/05/74/556170574.db2.gz NSNZLUJNJPZWDA-INIZCTEOSA-N 1 3 352.441 2.370 20 0 FEADHO COCCOc1ccc(CN2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000368051197 556204459 /nfs/dbraw/zinc/20/44/59/556204459.db2.gz KTIQNEKHNASOJS-HXUWFJFHSA-N 1 3 361.530 2.171 20 0 FEADHO O=C(NCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1F ZINC000515053330 561994012 /nfs/dbraw/zinc/99/40/12/561994012.db2.gz OICWRUFKQMCDFI-WIYYLYMNSA-N 1 3 369.440 2.401 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000515279265 562003094 /nfs/dbraw/zinc/00/30/94/562003094.db2.gz XBSPWLXZYNLUNQ-YLJYHZDGSA-N 1 3 359.514 2.090 20 0 FEADHO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000368494910 556326381 /nfs/dbraw/zinc/32/63/81/556326381.db2.gz HJQDRYOQNAUOJP-TXPKVOOTSA-N 1 3 361.555 2.497 20 0 FEADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369194719 556532040 /nfs/dbraw/zinc/53/20/40/556532040.db2.gz GFJGVBNOQTWOTE-MOPGFXCFSA-N 1 3 359.518 2.029 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369233292 556543724 /nfs/dbraw/zinc/54/37/24/556543724.db2.gz SSDXMEOPIJZRSO-SLFFLAALSA-N 1 3 371.529 2.220 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369233292 556543728 /nfs/dbraw/zinc/54/37/28/556543728.db2.gz SSDXMEOPIJZRSO-SLFFLAALSA-N 1 3 371.529 2.220 20 0 FEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000369465433 556605616 /nfs/dbraw/zinc/60/56/16/556605616.db2.gz UOKWDVRGTAFYGX-MSOLQXFVSA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000369465433 556605618 /nfs/dbraw/zinc/60/56/18/556605618.db2.gz UOKWDVRGTAFYGX-MSOLQXFVSA-N 1 3 366.550 2.002 20 0 FEADHO O=C(NC1CC[NH+](Cc2cccs2)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000369870756 556717866 /nfs/dbraw/zinc/71/78/66/556717866.db2.gz HBNTVGVNOUUJIQ-QGZVFWFLSA-N 1 3 360.527 2.368 20 0 FEADHO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000369990972 556750799 /nfs/dbraw/zinc/75/07/99/556750799.db2.gz LHHUESMWAQPFAK-ZFWWWQNUSA-N 1 3 372.391 2.062 20 0 FEADHO [NH2+]=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1ccccc1OC(F)(F)F ZINC000370815630 556976839 /nfs/dbraw/zinc/97/68/39/556976839.db2.gz ZPJPLKGTSMKHBN-VXGBXAGGSA-N 1 3 358.364 2.385 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000517418564 562089554 /nfs/dbraw/zinc/08/95/54/562089554.db2.gz CSSFBDPZRUPEAO-DLBZAZTESA-N 1 3 368.566 2.295 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000517418564 562089555 /nfs/dbraw/zinc/08/95/55/562089555.db2.gz CSSFBDPZRUPEAO-DLBZAZTESA-N 1 3 368.566 2.295 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000517418806 562089952 /nfs/dbraw/zinc/08/99/52/562089952.db2.gz NUJMQIUHPUQVNG-VQTJNVASSA-N 1 3 358.530 2.429 20 0 FEADHO CC[C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CCN1Cc1ccccc1 ZINC000518371707 562110011 /nfs/dbraw/zinc/11/00/11/562110011.db2.gz GUQJFZRQVAHVPR-QZTJIDSGSA-N 1 3 367.497 2.223 20 0 FEADHO Cc1ccccc1NC(=O)[C@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370075 557452678 /nfs/dbraw/zinc/45/26/78/557452678.db2.gz PGAGQJIHNNYZGH-HKUYNNGSSA-N 1 3 358.530 2.422 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000372464005 557477531 /nfs/dbraw/zinc/47/75/31/557477531.db2.gz OPFALBKMGKHEJH-PDOICOKGSA-N 1 3 351.535 2.147 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000372464005 557477534 /nfs/dbraw/zinc/47/75/34/557477534.db2.gz OPFALBKMGKHEJH-PDOICOKGSA-N 1 3 351.535 2.147 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@@H]2Cc3ccccc3O2)CC1 ZINC000372785686 557562264 /nfs/dbraw/zinc/56/22/64/557562264.db2.gz HLSWJJMUJPZZQD-IBGZPJMESA-N 1 3 373.541 2.406 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000374470450 557888217 /nfs/dbraw/zinc/88/82/17/557888217.db2.gz JDFGLGVVJAFDME-MJGOQNOKSA-N 1 3 357.502 2.224 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000374470450 557888219 /nfs/dbraw/zinc/88/82/19/557888219.db2.gz JDFGLGVVJAFDME-MJGOQNOKSA-N 1 3 357.502 2.224 20 0 FEADHO CN1CCN(CC2(C)CC[NH+](CCCC(=O)OC(C)(C)C)CC2)CC1 ZINC000375240545 557996961 /nfs/dbraw/zinc/99/69/61/557996961.db2.gz XNSKGIJFIZBQMM-UHFFFAOYSA-N 1 3 353.551 2.458 20 0 FEADHO COc1cc2c(cc1OC)[C@@H]([NH2+][C@H]1CCN(C3CCN(C)CC3)C1)CC2 ZINC000375647121 558061886 /nfs/dbraw/zinc/06/18/86/558061886.db2.gz BSFXSMSODVSDFL-LPHOPBHVSA-N 1 3 359.514 2.449 20 0 FEADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1Nc1cc(C(N)=O)ccc1CN(C)C ZINC000375718164 558072196 /nfs/dbraw/zinc/07/21/96/558072196.db2.gz JPBJVSJACOKWKW-ATZDWAIDSA-N 1 3 374.529 2.148 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1Nc1cc(C(N)=O)ccc1CN(C)C ZINC000375718164 558072198 /nfs/dbraw/zinc/07/21/98/558072198.db2.gz JPBJVSJACOKWKW-ATZDWAIDSA-N 1 3 374.529 2.148 20 0 FEADHO CCOC(=O)CC(C)(C)CCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000376512416 558183506 /nfs/dbraw/zinc/18/35/06/558183506.db2.gz RQFLUENWHITUHP-GOSISDBHSA-N 1 3 353.551 2.458 20 0 FEADHO CCOC(=O)CC(C)(C)CCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000376512416 558183507 /nfs/dbraw/zinc/18/35/07/558183507.db2.gz RQFLUENWHITUHP-GOSISDBHSA-N 1 3 353.551 2.458 20 0 FEADHO CCCN(CCN1CCCC1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000376698277 558210520 /nfs/dbraw/zinc/21/05/20/558210520.db2.gz BXGWCLRMYKJGHK-SFHVURJKSA-N 1 3 366.550 2.005 20 0 FEADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000377513142 558354865 /nfs/dbraw/zinc/35/48/65/558354865.db2.gz RYAJINRPEFGMMB-UXHICEINSA-N 1 3 357.498 2.266 20 0 FEADHO CCN(CC)C(=O)[C@@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378007439 558462143 /nfs/dbraw/zinc/46/21/43/558462143.db2.gz PVTWWILAGNJGGP-GOSISDBHSA-N 1 3 366.594 2.371 20 0 FEADHO CCCCC[C@@H](C)NC(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378423941 558553518 /nfs/dbraw/zinc/55/35/18/558553518.db2.gz CUDSOHVXMFZMBP-IEBWSBKVSA-N 1 3 352.567 2.172 20 0 FEADHO C[NH+]1CCC2(CC1)C[C@@H](NC[C@@H]1CN(C3CC3)CCO1)c1ccccc1O2 ZINC000378439551 558557514 /nfs/dbraw/zinc/55/75/14/558557514.db2.gz REYDQBCRIKSFGD-UYAOXDASSA-N 1 3 371.525 2.427 20 0 FEADHO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)C2)cn1 ZINC000378550206 558580655 /nfs/dbraw/zinc/58/06/55/558580655.db2.gz YMEYFJQKYQJSJK-BLKABHOGSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1cc(N2CC[C@H](N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2)cn1 ZINC000378550206 558580657 /nfs/dbraw/zinc/58/06/57/558580657.db2.gz YMEYFJQKYQJSJK-BLKABHOGSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1cc(N2CC[C@H](N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2)cn1 ZINC000378550206 558580658 /nfs/dbraw/zinc/58/06/58/558580658.db2.gz YMEYFJQKYQJSJK-BLKABHOGSA-N 1 3 365.525 2.499 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](C)N1CCO ZINC000378559180 558583304 /nfs/dbraw/zinc/58/33/04/558583304.db2.gz BDLBLQPOKAFENQ-KDURUIRLSA-N 1 3 374.573 2.104 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000389879161 558609909 /nfs/dbraw/zinc/60/99/09/558609909.db2.gz NGKWQLDFTFXFMN-FLAFYDAQSA-N 1 3 371.525 2.156 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000389879161 558609910 /nfs/dbraw/zinc/60/99/10/558609910.db2.gz NGKWQLDFTFXFMN-FLAFYDAQSA-N 1 3 371.525 2.156 20 0 FEADHO CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000391012664 558613250 /nfs/dbraw/zinc/61/32/50/558613250.db2.gz WZMGJXDLQYWYOP-RBUKOAKNSA-N 1 3 359.514 2.172 20 0 FEADHO COC(=O)C1CCC([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC000397667232 558624984 /nfs/dbraw/zinc/62/49/84/558624984.db2.gz GJKAOHNLVYSHLH-UHFFFAOYSA-N 1 3 360.498 2.335 20 0 FEADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1C ZINC000409449252 558692516 /nfs/dbraw/zinc/69/25/16/558692516.db2.gz WKAFQPPUAXTCAZ-WBVHZDCISA-N 1 3 353.532 2.242 20 0 FEADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1C ZINC000409449252 558692519 /nfs/dbraw/zinc/69/25/19/558692519.db2.gz WKAFQPPUAXTCAZ-WBVHZDCISA-N 1 3 353.532 2.242 20 0 FEADHO C[C@@H](NCCC(=O)Nc1ccc(C(N)=O)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518696 558909164 /nfs/dbraw/zinc/90/91/64/558909164.db2.gz PXXLNRASXMPGFR-NVXWUHKLSA-N 1 3 372.513 2.357 20 0 FEADHO C[C@@H](NCCC(=O)Nc1ccc(C(N)=O)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518696 558909167 /nfs/dbraw/zinc/90/91/67/558909167.db2.gz PXXLNRASXMPGFR-NVXWUHKLSA-N 1 3 372.513 2.357 20 0 FEADHO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000411518696 558909169 /nfs/dbraw/zinc/90/91/69/558909169.db2.gz PXXLNRASXMPGFR-NVXWUHKLSA-N 1 3 372.513 2.357 20 0 FEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000525775964 562254660 /nfs/dbraw/zinc/25/46/60/562254660.db2.gz ABBLKHWEKOCTKQ-VQTJNVASSA-N 1 3 358.530 2.484 20 0 FEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000525775964 562254661 /nfs/dbraw/zinc/25/46/61/562254661.db2.gz ABBLKHWEKOCTKQ-VQTJNVASSA-N 1 3 358.530 2.484 20 0 FEADHO CSCc1cccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000526111071 562267236 /nfs/dbraw/zinc/26/72/36/562267236.db2.gz ALJDHAVLSSXQTK-UHFFFAOYSA-N 1 3 352.548 2.184 20 0 FEADHO CN1CCC(C[NH2+]C/C=C/c2ccc(F)cc2F)(N2CCOCC2)CC1 ZINC000414478687 559167885 /nfs/dbraw/zinc/16/78/85/559167885.db2.gz FTSWMUYDRPIJJH-NSCUHMNNSA-N 1 3 365.468 2.364 20 0 FEADHO C[C@@H](CCc1ccc(O)cc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414491873 559168549 /nfs/dbraw/zinc/16/85/49/559168549.db2.gz ZKWMGVCXOBQJHO-SFHVURJKSA-N 1 3 361.530 2.100 20 0 FEADHO COCCCn1nccc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414525284 559170094 /nfs/dbraw/zinc/17/00/94/559170094.db2.gz LYEBWABFPBQLEN-UHFFFAOYSA-N 1 3 372.513 2.036 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCc2ccc(CN(C)C)cc2)c1 ZINC000414667266 559178356 /nfs/dbraw/zinc/17/83/56/559178356.db2.gz YBLSRNBNPNIAJK-UHFFFAOYSA-N 1 3 368.481 2.113 20 0 FEADHO COc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)c(OC)c1 ZINC000414684768 559179515 /nfs/dbraw/zinc/17/95/15/559179515.db2.gz WQZJKHPKHPAGOX-CRAIPNDOSA-N 1 3 361.486 2.038 20 0 FEADHO COc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)c(OC)c1 ZINC000414684768 559179517 /nfs/dbraw/zinc/17/95/17/559179517.db2.gz WQZJKHPKHPAGOX-CRAIPNDOSA-N 1 3 361.486 2.038 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000414687742 559179738 /nfs/dbraw/zinc/17/97/38/559179738.db2.gz HYUQFOABCITXAN-IRXDYDNUSA-N 1 3 374.529 2.219 20 0 FEADHO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)C12CCCCC2 ZINC000414694261 559180309 /nfs/dbraw/zinc/18/03/09/559180309.db2.gz FMKIQLLCRKDWOK-OKZBNKHCSA-N 1 3 351.535 2.243 20 0 FEADHO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)C12CCCCC2 ZINC000414694261 559180310 /nfs/dbraw/zinc/18/03/10/559180310.db2.gz FMKIQLLCRKDWOK-OKZBNKHCSA-N 1 3 351.535 2.243 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC000414701274 559180919 /nfs/dbraw/zinc/18/09/19/559180919.db2.gz GQQKMUZHRYQREX-OAHLLOKOSA-N 1 3 365.905 2.133 20 0 FEADHO CC1CCC(OC2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)CC1 ZINC000414730784 559183016 /nfs/dbraw/zinc/18/30/16/559183016.db2.gz ATAXUSYLHHSBIC-LXPRWKDFSA-N 1 3 351.535 2.243 20 0 FEADHO Cc1cc(Br)ccc1C[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414749363 559184737 /nfs/dbraw/zinc/18/47/37/559184737.db2.gz WEKVIAROOVHAST-AWEZNQCLSA-N 1 3 368.319 2.387 20 0 FEADHO Cc1cc(Br)ccc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414749363 559184738 /nfs/dbraw/zinc/18/47/38/559184738.db2.gz WEKVIAROOVHAST-AWEZNQCLSA-N 1 3 368.319 2.387 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)c(C)c2)CC1 ZINC000414754306 559185119 /nfs/dbraw/zinc/18/51/19/559185119.db2.gz RTUDZGFEUICSQE-DLBZAZTESA-N 1 3 359.518 2.338 20 0 FEADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414887031 559193254 /nfs/dbraw/zinc/19/32/54/559193254.db2.gz WJSVWRKCNMSRSO-YJBOKZPZSA-N 1 3 360.502 2.416 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414948132 559196719 /nfs/dbraw/zinc/19/67/19/559196719.db2.gz XRKKBBITAWQIBW-IYOUNJFTSA-N 1 3 358.486 2.340 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414948132 559196720 /nfs/dbraw/zinc/19/67/20/559196720.db2.gz XRKKBBITAWQIBW-IYOUNJFTSA-N 1 3 358.486 2.340 20 0 FEADHO Cc1cccc(-c2n[nH]cc2CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414974295 559198286 /nfs/dbraw/zinc/19/82/86/559198286.db2.gz LGVIWGSFZBEPEF-INIZCTEOSA-N 1 3 367.419 2.311 20 0 FEADHO COCC1(CNCc2c(C(C)C)nc3sc(C)nn23)CC[NH2+]CC1 ZINC000414976724 559198336 /nfs/dbraw/zinc/19/83/36/559198336.db2.gz PXUBFLRIUOCWTK-UHFFFAOYSA-N 1 3 351.520 2.328 20 0 FEADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414992129 559199363 /nfs/dbraw/zinc/19/93/63/559199363.db2.gz RGRLEIXUOVQOAO-MAUKXSAKSA-N 1 3 360.502 2.272 20 0 FEADHO [NH3+]CC1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000415071661 559203991 /nfs/dbraw/zinc/20/39/91/559203991.db2.gz UBWRYJUQGWWROZ-UHFFFAOYSA-N 1 3 362.543 2.481 20 0 FEADHO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CC1 ZINC000415394000 559230760 /nfs/dbraw/zinc/23/07/60/559230760.db2.gz BPUSTGYWORGGAZ-UHFFFAOYSA-N 1 3 372.513 2.069 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N(CCC[NH3+])CC2CCCC2)c1 ZINC000415711666 559264520 /nfs/dbraw/zinc/26/45/20/559264520.db2.gz OIPOQLSJGWCYTJ-UHFFFAOYSA-N 1 3 360.502 2.054 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000415958713 559284913 /nfs/dbraw/zinc/28/49/13/559284913.db2.gz RGBZUGDXOLABOX-KRWDZBQOSA-N 1 3 361.534 2.191 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)Nc1ncccc1CN)c1ccccc1 ZINC000415993689 559287703 /nfs/dbraw/zinc/28/77/03/559287703.db2.gz FXQDXIXTWUOMMX-SFHVURJKSA-N 1 3 371.485 2.371 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)Nc1ncccc1CN)c1ccccc1 ZINC000415993689 559287705 /nfs/dbraw/zinc/28/77/05/559287705.db2.gz FXQDXIXTWUOMMX-SFHVURJKSA-N 1 3 371.485 2.371 20 0 FEADHO O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416001007 559288557 /nfs/dbraw/zinc/28/85/57/559288557.db2.gz YHXLLXDHNJKWAS-UXHICEINSA-N 1 3 366.465 2.047 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCN1Cc1ccccc1 ZINC000416037522 559290322 /nfs/dbraw/zinc/29/03/22/559290322.db2.gz BTQHXGHJHBSVPN-YUELXQCFSA-N 1 3 358.408 2.228 20 0 FEADHO CC1CCN([C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c2cccs2)CC1 ZINC000416854705 559335378 /nfs/dbraw/zinc/33/53/78/559335378.db2.gz VDVLLKUHISKYMC-IXDOHACOSA-N 1 3 362.543 2.382 20 0 FEADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCNC(C)(C)C1)c1cccc(OC)c1 ZINC000416923234 559338697 /nfs/dbraw/zinc/33/86/97/559338697.db2.gz NQHYWLFTZQXZHL-SFHVURJKSA-N 1 3 362.518 2.472 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1cccc(OC)c1 ZINC000416927350 559338845 /nfs/dbraw/zinc/33/88/45/559338845.db2.gz SHDVWOWBJMZGBO-QRQLOZEOSA-N 1 3 360.502 2.081 20 0 FEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416975800 559341367 /nfs/dbraw/zinc/34/13/67/559341367.db2.gz OQWLFQFFIFQFRP-GOSISDBHSA-N 1 3 350.507 2.142 20 0 FEADHO CC[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)N1CCc2ccccc2C1 ZINC000417002134 559343108 /nfs/dbraw/zinc/34/31/08/559343108.db2.gz AFMKSTTZBPPHJC-SLFFLAALSA-N 1 3 356.514 2.074 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NCCCCN2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000417159857 559350510 /nfs/dbraw/zinc/35/05/10/559350510.db2.gz XRRZGOMTWOTTMH-RBUKOAKNSA-N 1 3 373.545 2.029 20 0 FEADHO [NH3+]C[C@@H]1CCCCN1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417160982 559350719 /nfs/dbraw/zinc/35/07/19/559350719.db2.gz YZILKNPHMYRCBC-FQEVSTJZSA-N 1 3 373.545 2.112 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000417219436 559353617 /nfs/dbraw/zinc/35/36/17/559353617.db2.gz JJLGBHMWDWFRNA-RSPOEFSDSA-N 1 3 356.514 2.463 20 0 FEADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417309816 559357048 /nfs/dbraw/zinc/35/70/48/559357048.db2.gz KHEAWDKBNLGCKQ-UFYCRDLUSA-N 1 3 356.514 2.292 20 0 FEADHO O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417369540 559359691 /nfs/dbraw/zinc/35/96/91/559359691.db2.gz RKKDZMYPNZUEBD-HOTGVXAUSA-N 1 3 350.532 2.259 20 0 FEADHO O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417369544 559359720 /nfs/dbraw/zinc/35/97/20/559359720.db2.gz RKKDZMYPNZUEBD-JKSUJKDBSA-N 1 3 350.532 2.259 20 0 FEADHO CN(C(=O)NCC1CCN(Cc2cccs2)CC1)C1CC[NH2+]CC1 ZINC000417375269 559359815 /nfs/dbraw/zinc/35/98/15/559359815.db2.gz BQMLMTVLXCDMIO-UHFFFAOYSA-N 1 3 350.532 2.354 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000417498276 559364672 /nfs/dbraw/zinc/36/46/72/559364672.db2.gz CQZFWIFNQKIIAH-OTWHNJEPSA-N 1 3 362.518 2.123 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000417519407 559365706 /nfs/dbraw/zinc/36/57/06/559365706.db2.gz VDPMJWIRIWSYEZ-WDSOQIARSA-N 1 3 362.518 2.136 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000417530892 559366089 /nfs/dbraw/zinc/36/60/89/559366089.db2.gz SRMASULITMFEMQ-UHFFFAOYSA-N 1 3 362.518 2.130 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417568778 559367154 /nfs/dbraw/zinc/36/71/54/559367154.db2.gz PGIWZDDJOJHRIT-WOJBJXKFSA-N 1 3 370.497 2.250 20 0 FEADHO COc1cnccc1N1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000527278391 562283609 /nfs/dbraw/zinc/28/36/09/562283609.db2.gz KFBOLBCYZQYZJX-UHFFFAOYSA-N 1 3 360.502 2.393 20 0 FEADHO COc1cnccc1N1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000527278391 562283610 /nfs/dbraw/zinc/28/36/10/562283610.db2.gz KFBOLBCYZQYZJX-UHFFFAOYSA-N 1 3 360.502 2.393 20 0 FEADHO CN1CCC[C@@H](CNC(=O)NCC[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000417749882 559375160 /nfs/dbraw/zinc/37/51/60/559375160.db2.gz VUHMUWLCDIMLQM-ZFWWWQNUSA-N 1 3 358.408 2.346 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000417798780 559376797 /nfs/dbraw/zinc/37/67/97/559376797.db2.gz AOTNVMGUFIEWEN-GOSISDBHSA-N 1 3 354.539 2.083 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418012800 559386596 /nfs/dbraw/zinc/38/65/96/559386596.db2.gz MEXIBIMGMQMFJS-RSPOEFSDSA-N 1 3 356.514 2.148 20 0 FEADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418077692 559389398 /nfs/dbraw/zinc/38/93/98/559389398.db2.gz UKKWURBWGOBOKV-RBUKOAKNSA-N 1 3 362.518 2.094 20 0 FEADHO C[C@@H]1CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H](C)CN1 ZINC000418112808 559390513 /nfs/dbraw/zinc/39/05/13/559390513.db2.gz ZEMQXTYKMPGPPH-RMNLLRHXSA-N 1 3 362.440 2.184 20 0 FEADHO CO[C@@H]1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000418157016 559392323 /nfs/dbraw/zinc/39/23/23/559392323.db2.gz XMSYOOVPIBVEJH-XUVXKRRUSA-N 1 3 374.529 2.045 20 0 FEADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000418168438 559392717 /nfs/dbraw/zinc/39/27/17/559392717.db2.gz LYAGLPQVLHZBOP-NVXWUHKLSA-N 1 3 360.502 2.038 20 0 FEADHO CN(C)CCOC1CCN(C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000418451370 559402285 /nfs/dbraw/zinc/40/22/85/559402285.db2.gz WAGGBEFVMHZBRI-UHFFFAOYSA-N 1 3 354.539 2.051 20 0 FEADHO CCCC[C@H](C[NH3+])NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418458164 559402465 /nfs/dbraw/zinc/40/24/65/559402465.db2.gz FHNVMKYXENTFLT-ZIFCJYIRSA-N 1 3 368.566 2.425 20 0 FEADHO O=C(NCC[C@H]1CCC[NH2+]1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418551909 559405830 /nfs/dbraw/zinc/40/58/30/559405830.db2.gz QPQOCJQEVRZCPU-TZIWHRDSSA-N 1 3 356.514 2.436 20 0 FEADHO CN(CCN1CCCC1)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418574859 559406763 /nfs/dbraw/zinc/40/67/63/559406763.db2.gz WASRHRXXEZVFIJ-YJBOKZPZSA-N 1 3 366.456 2.148 20 0 FEADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418584145 559407005 /nfs/dbraw/zinc/40/70/05/559407005.db2.gz BUZQBUZRYWQNFT-YOEHRIQHSA-N 1 3 352.910 2.411 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC[NH2+]1 ZINC000418611181 559407816 /nfs/dbraw/zinc/40/78/16/559407816.db2.gz UUYPUAQGTASLPY-QFUCXCTJSA-N 1 3 356.514 2.435 20 0 FEADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418632756 559408719 /nfs/dbraw/zinc/40/87/19/559408719.db2.gz HQZFLESDMNVGER-LJQANCHMSA-N 1 3 354.539 2.053 20 0 FEADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)C[C@@H](C)C1 ZINC000418639937 559409015 /nfs/dbraw/zinc/40/90/15/559409015.db2.gz QGPCONCFEWFEGT-ACZWYYKOSA-N 1 3 356.514 2.245 20 0 FEADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)C[C@@H](C)C1 ZINC000418639937 559409016 /nfs/dbraw/zinc/40/90/16/559409016.db2.gz QGPCONCFEWFEGT-ACZWYYKOSA-N 1 3 356.514 2.245 20 0 FEADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418670423 559410587 /nfs/dbraw/zinc/41/05/87/559410587.db2.gz JJXKZZMYWROKIJ-OKZBNKHCSA-N 1 3 368.566 2.425 20 0 FEADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@@H]3CNCCC3(F)F)C2)CC1 ZINC000418748205 559413772 /nfs/dbraw/zinc/41/37/72/559413772.db2.gz KKTYNKXWHHVBOD-HZPDHXFCSA-N 1 3 358.477 2.137 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc(C)cc(N)c1 ZINC000418758073 559414432 /nfs/dbraw/zinc/41/44/32/559414432.db2.gz IFSFFUZKPOCSIF-IBGZPJMESA-N 1 3 361.534 2.135 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc(C)cc(N)c1 ZINC000418758073 559414433 /nfs/dbraw/zinc/41/44/33/559414433.db2.gz IFSFFUZKPOCSIF-IBGZPJMESA-N 1 3 361.534 2.135 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418806608 559416921 /nfs/dbraw/zinc/41/69/21/559416921.db2.gz YRUQFEOFCJCPNU-BZUAXINKSA-N 1 3 350.532 2.209 20 0 FEADHO C[NH2+]CC1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000420281934 559478657 /nfs/dbraw/zinc/47/86/57/559478657.db2.gz AUCFTWYCSURIDU-GOSISDBHSA-N 1 3 351.441 2.387 20 0 FEADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCCOC1CCCCC1 ZINC000420325465 559480524 /nfs/dbraw/zinc/48/05/24/559480524.db2.gz IKXJJTKVKLIVIY-MSOLQXFVSA-N 1 3 351.535 2.164 20 0 FEADHO CCCOc1cccc(CNC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420334214 559481563 /nfs/dbraw/zinc/48/15/63/559481563.db2.gz UACLJSURCJCJDJ-OALUTQOASA-N 1 3 359.514 2.413 20 0 FEADHO COc1cc(NC(=O)CCN[C@H]2CC[NH2+]CC2(C)C)cc(OC)c1OC ZINC000420354461 559482850 /nfs/dbraw/zinc/48/28/50/559482850.db2.gz DDDUDSFAOHHIJN-INIZCTEOSA-N 1 3 365.474 2.019 20 0 FEADHO COc1cc(NC(=O)CC[NH2+][C@H]2CCNCC2(C)C)cc(OC)c1OC ZINC000420354461 559482851 /nfs/dbraw/zinc/48/28/51/559482851.db2.gz DDDUDSFAOHHIJN-INIZCTEOSA-N 1 3 365.474 2.019 20 0 FEADHO CC[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H](CC)O1 ZINC000420793037 559504811 /nfs/dbraw/zinc/50/48/11/559504811.db2.gz KLYBHMABJJHSPO-RTBURBONSA-N 1 3 366.550 2.144 20 0 FEADHO CCC(CC)NC(=O)[C@@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420979801 559516664 /nfs/dbraw/zinc/51/66/64/559516664.db2.gz KPMXGAKBMJXUES-QGZVFWFLSA-N 1 3 352.567 2.172 20 0 FEADHO CCC(CC)NC(=O)[C@@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420979801 559516665 /nfs/dbraw/zinc/51/66/65/559516665.db2.gz KPMXGAKBMJXUES-QGZVFWFLSA-N 1 3 352.567 2.172 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000421699029 559549743 /nfs/dbraw/zinc/54/97/43/559549743.db2.gz ABYLVSZPCKZAND-FQEVSTJZSA-N 1 3 358.530 2.383 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N(C)C[C@@H]3CCC[N@H+]3C)cc2)CC1 ZINC000421699029 559549744 /nfs/dbraw/zinc/54/97/44/559549744.db2.gz ABYLVSZPCKZAND-FQEVSTJZSA-N 1 3 358.530 2.383 20 0 FEADHO C[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccncc1Cl ZINC000421856173 559554905 /nfs/dbraw/zinc/55/49/05/559554905.db2.gz NUMSIWGBONDHAB-OAHLLOKOSA-N 1 3 352.910 2.182 20 0 FEADHO COC1([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCCCC1 ZINC000421852032 559554910 /nfs/dbraw/zinc/55/49/10/559554910.db2.gz GORSQABBJMLCNF-SFHVURJKSA-N 1 3 353.551 2.110 20 0 FEADHO CC[NH+]1CCC(N2CCCN(C(=O)c3ccccc3CN(C)C)CC2)CC1 ZINC000422027765 559561402 /nfs/dbraw/zinc/56/14/02/559561402.db2.gz WUQUBYAJBFCPTA-UHFFFAOYSA-N 1 3 372.557 2.380 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CC[NH2+]CC[C@@H]2C)s1 ZINC000422710276 559603962 /nfs/dbraw/zinc/60/39/62/559603962.db2.gz FORNHIUKLJSAIQ-GOEBONIOSA-N 1 3 373.588 2.299 20 0 FEADHO COc1cccc(N2CCC[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422771433 559606178 /nfs/dbraw/zinc/60/61/78/559606178.db2.gz YDHKCXXWVMDTQB-VRXWPRPYSA-N 1 3 359.514 2.411 20 0 FEADHO COc1cc(C[C@H](CO)CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc(OC)c1 ZINC000422826947 559607780 /nfs/dbraw/zinc/60/77/80/559607780.db2.gz RPVJRYXGLBDHTN-LLUDDFSJSA-N 1 3 362.514 2.365 20 0 FEADHO c1ccc(-c2ccc(NCCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)nn2)cc1 ZINC000422855656 559608659 /nfs/dbraw/zinc/60/86/59/559608659.db2.gz CXNUEZQVFORHFA-DFQSSKMNSA-N 1 3 351.498 3.066 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2ccc(N3CCCCC3)nc2)CC[NH2+]CC1 ZINC000422882372 559609617 /nfs/dbraw/zinc/60/96/17/559609617.db2.gz SDTOVYVFVIRVFX-QGZVFWFLSA-N 1 3 374.529 2.483 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422909885 559610916 /nfs/dbraw/zinc/61/09/16/559610916.db2.gz PFQIRRRAFYRVFK-IWKLRQMXSA-N 1 3 353.457 2.271 20 0 FEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422909885 559610917 /nfs/dbraw/zinc/61/09/17/559610917.db2.gz PFQIRRRAFYRVFK-IWKLRQMXSA-N 1 3 353.457 2.271 20 0 FEADHO C[C@@H](CCCC[NH3+])NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000422933701 559611891 /nfs/dbraw/zinc/61/18/91/559611891.db2.gz IFNOVINGKWWHNC-INIZCTEOSA-N 1 3 353.532 2.468 20 0 FEADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000422939240 559612137 /nfs/dbraw/zinc/61/21/37/559612137.db2.gz LMGGYWURMKZOIR-QZTJIDSGSA-N 1 3 351.516 2.221 20 0 FEADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CN1CCc2ccccc2C1 ZINC000422962568 559613046 /nfs/dbraw/zinc/61/30/46/559613046.db2.gz CQWVPCQCGFCVDD-CIAFKFPVSA-N 1 3 357.542 2.306 20 0 FEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423099312 559619010 /nfs/dbraw/zinc/61/90/10/559619010.db2.gz LYXPVUCWCVZSEO-UKRRQHHQSA-N 1 3 359.923 2.116 20 0 FEADHO C[C@H](NC[C@@H](CO)Cc1cc(F)cc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000423166068 559621755 /nfs/dbraw/zinc/62/17/55/559621755.db2.gz CDPLJUWFJGRZLW-FPMFFAJLSA-N 1 3 359.283 2.327 20 0 FEADHO C[C@H](NCc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423184831 559622254 /nfs/dbraw/zinc/62/22/54/559622254.db2.gz NLNBQPXOYQMBBB-JXFKEZNVSA-N 1 3 358.530 2.004 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(N3CCNCC3)cn2)[C@H](C)C1 ZINC000423230767 559623406 /nfs/dbraw/zinc/62/34/06/559623406.db2.gz JYBKIQNMWUATJM-IEBWSBKVSA-N 1 3 361.534 2.040 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](Nc2ccc(N3CCNCC3)cn2)[C@H](C)C1 ZINC000423230767 559623407 /nfs/dbraw/zinc/62/34/07/559623407.db2.gz JYBKIQNMWUATJM-IEBWSBKVSA-N 1 3 361.534 2.040 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)[C@H]3NCCCC3(C)C)CCCC2)CC1 ZINC000423391634 559627575 /nfs/dbraw/zinc/62/75/75/559627575.db2.gz NUUYWYPEFDBTNQ-QGZVFWFLSA-N 1 3 351.535 2.304 20 0 FEADHO CC(C)[C@@H](C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000423439338 559629148 /nfs/dbraw/zinc/62/91/48/559629148.db2.gz WIDUJDREOOAZHJ-MJQMVNBJSA-N 1 3 353.551 2.344 20 0 FEADHO C[C@H](CCC[NH3+])N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423452370 559629525 /nfs/dbraw/zinc/62/95/25/559629525.db2.gz JPTJIKYQKWOXNX-BDAKNGLRSA-N 1 3 354.303 2.419 20 0 FEADHO CC1(C(=O)N[C@@H]2CNCCC2(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000423690866 559636091 /nfs/dbraw/zinc/63/60/91/559636091.db2.gz DTEMRSFTQWBXPI-MRXNPFEDSA-N 1 3 351.441 2.402 20 0 FEADHO CN(C)C[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1ccc(Cl)cc1 ZINC000423770132 559639071 /nfs/dbraw/zinc/63/90/71/559639071.db2.gz HEVQJGQUZPMKJT-CYBMUJFWSA-N 1 3 352.891 2.330 20 0 FEADHO O=C(C[C@H]1CCC[NH2+]CC1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000423848721 559642583 /nfs/dbraw/zinc/64/25/83/559642583.db2.gz NRUKABSEIDCONG-AZUAARDMSA-N 1 3 359.514 2.174 20 0 FEADHO C[C@@H]1C[C@@H](CCNC(=O)CNC[C@@H]2CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000423894657 559644529 /nfs/dbraw/zinc/64/45/29/559644529.db2.gz FASQFSHQEQLZJL-RLLQIKCJSA-N 1 3 359.514 2.172 20 0 FEADHO C[C@@H]1C[C@@H](CCNC(=O)CNC[C@@H]2CCCO2)C[N@H+]1Cc1ccccc1 ZINC000423894657 559644530 /nfs/dbraw/zinc/64/45/30/559644530.db2.gz FASQFSHQEQLZJL-RLLQIKCJSA-N 1 3 359.514 2.172 20 0 FEADHO COc1ccc2c(c1)CCCN2C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424291302 559660946 /nfs/dbraw/zinc/66/09/46/559660946.db2.gz NKJPJKXQPAANKG-INIZCTEOSA-N 1 3 357.498 2.438 20 0 FEADHO COc1ccc([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)c(Cl)c1 ZINC000424328402 559661613 /nfs/dbraw/zinc/66/16/13/559661613.db2.gz ZSPIEJLJVVLFGF-MRXNPFEDSA-N 1 3 369.937 2.389 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)CC2)c1 ZINC000425048288 559685121 /nfs/dbraw/zinc/68/51/21/559685121.db2.gz BEUHYUWLTHXICE-PZJWPPBQSA-N 1 3 370.541 2.060 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)CC2)c1 ZINC000425048288 559685122 /nfs/dbraw/zinc/68/51/22/559685122.db2.gz BEUHYUWLTHXICE-PZJWPPBQSA-N 1 3 370.541 2.060 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCCN1C ZINC000425499965 559705945 /nfs/dbraw/zinc/70/59/45/559705945.db2.gz AEHSZOHLAOYDRW-BTHPGYMESA-N 1 3 356.514 2.385 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCCN1C ZINC000425499965 559705946 /nfs/dbraw/zinc/70/59/46/559705946.db2.gz AEHSZOHLAOYDRW-BTHPGYMESA-N 1 3 356.514 2.385 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425655299 559713322 /nfs/dbraw/zinc/71/33/22/559713322.db2.gz FFUUXOIDRYQRID-ZJPYXAASSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)C[C@@H](C)O1 ZINC000426666789 559739830 /nfs/dbraw/zinc/73/98/30/559739830.db2.gz VMKHXTNXTWITAW-HLIPFELVSA-N 1 3 363.546 2.351 20 0 FEADHO CN(C(=O)C[C@@H]1CCC[NH2+]CC1)C1CCN(CCc2ccccn2)CC1 ZINC000427331341 559753486 /nfs/dbraw/zinc/75/34/86/559753486.db2.gz PRKZQEJRIJLJSI-GOSISDBHSA-N 1 3 358.530 2.327 20 0 FEADHO CC[NH2+]CC1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000430547136 559822199 /nfs/dbraw/zinc/82/21/99/559822199.db2.gz FJWYGFOEKOUVQX-UHFFFAOYSA-N 1 3 354.498 2.374 20 0 FEADHO [NH3+]CC1CCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000430589782 559823723 /nfs/dbraw/zinc/82/37/23/559823723.db2.gz FOJKVIQBEASIFF-MRXNPFEDSA-N 1 3 353.413 2.454 20 0 FEADHO C[NH2+]C[C@@H]1CCCN([C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000430603428 559824351 /nfs/dbraw/zinc/82/43/51/559824351.db2.gz KCVUHPXMHUZTFQ-ICSRJNTNSA-N 1 3 372.557 2.087 20 0 FEADHO COc1cc(NC(=O)CCN2CCC[C@@H](C[NH3+])C2)c(OC)cc1Cl ZINC000430670955 559826032 /nfs/dbraw/zinc/82/60/32/559826032.db2.gz WRIDKPOVMCFAHS-LBPRGKRZSA-N 1 3 355.866 2.357 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3[NH2+]CCCC3(C)C)cc2)CC1 ZINC000430711223 559826998 /nfs/dbraw/zinc/82/69/98/559826998.db2.gz DORLNFOEGPSANZ-LJQANCHMSA-N 1 3 358.530 2.337 20 0 FEADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000431017753 559832479 /nfs/dbraw/zinc/83/24/79/559832479.db2.gz RTJSMFVRPQIXOV-SFTDATJTSA-N 1 3 372.557 2.348 20 0 FEADHO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC2(CC[NH2+]C2)CC1 ZINC000431042639 559833062 /nfs/dbraw/zinc/83/30/62/559833062.db2.gz JQKCOVMANGWFDI-INIZCTEOSA-N 1 3 354.498 2.291 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433272411 559875514 /nfs/dbraw/zinc/87/55/14/559875514.db2.gz IJLIHABYYQJNAN-ZWKOTPCHSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433272411 559875515 /nfs/dbraw/zinc/87/55/15/559875515.db2.gz IJLIHABYYQJNAN-ZWKOTPCHSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NCC(C)(C)[NH+]2CCCCC2)CCCO1 ZINC000433282958 559875700 /nfs/dbraw/zinc/87/57/00/559875700.db2.gz AVZVIPGKBHRXHN-KRWDZBQOSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433334348 559877208 /nfs/dbraw/zinc/87/72/08/559877208.db2.gz HHVFGGZGIJRGOT-MSOLQXFVSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433334348 559877209 /nfs/dbraw/zinc/87/72/09/559877209.db2.gz HHVFGGZGIJRGOT-MSOLQXFVSA-N 1 3 368.566 2.297 20 0 FEADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCCN2C2CC2)Cc2ccccc2C1 ZINC000433905605 559890101 /nfs/dbraw/zinc/89/01/01/559890101.db2.gz XNSJFYAILHKBJS-FQEVSTJZSA-N 1 3 370.541 2.402 20 0 FEADHO COc1cc(NC(=O)CCN(C)[C@H]2CCC[NH2+]CC2)cc(OC)c1OC ZINC000435616840 559926418 /nfs/dbraw/zinc/92/64/18/559926418.db2.gz LUSRYBSSGVAGGN-HNNXBMFYSA-N 1 3 365.474 2.115 20 0 FEADHO Cc1nn(-c2ccccc2)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000527381738 562287153 /nfs/dbraw/zinc/28/71/53/562287153.db2.gz WJIOZEAGIUJMJQ-UHFFFAOYSA-N 1 3 358.490 2.138 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@H+](C)CC2(O)CCOCC2)CC1 ZINC000438548819 559980654 /nfs/dbraw/zinc/98/06/54/559980654.db2.gz XTFGQNJXDZSLAD-UHFFFAOYSA-N 1 3 361.530 2.192 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@@H+](C)CC2(O)CCOCC2)CC1 ZINC000438548819 559980655 /nfs/dbraw/zinc/98/06/55/559980655.db2.gz XTFGQNJXDZSLAD-UHFFFAOYSA-N 1 3 361.530 2.192 20 0 FEADHO CN(CC1([NH+](C)C)CCC1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000438594742 559981137 /nfs/dbraw/zinc/98/11/37/559981137.db2.gz GTFPTMVIHFEDCT-UHFFFAOYSA-N 1 3 358.530 2.141 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C)[C@H]2CC[C@H](O)CC2)CC1 ZINC000439259196 559991113 /nfs/dbraw/zinc/99/11/13/559991113.db2.gz GLNHDJSFOYWBPL-MEMLXQNLSA-N 1 3 373.541 2.265 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C)[C@H]2CC[C@H](O)CC2)CC1 ZINC000439259196 559991114 /nfs/dbraw/zinc/99/11/14/559991114.db2.gz GLNHDJSFOYWBPL-MEMLXQNLSA-N 1 3 373.541 2.265 20 0 FEADHO CC(=O)NCCc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000442874835 560060402 /nfs/dbraw/zinc/06/04/02/560060402.db2.gz MRRSMIZSAOHEPA-KRWDZBQOSA-N 1 3 360.546 2.042 20 0 FEADHO COc1cc(C)c([C@@H](C)NC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000443074382 560069562 /nfs/dbraw/zinc/06/95/62/560069562.db2.gz QRLFBFOZGGRYQG-HZPDHXFCSA-N 1 3 363.502 2.250 20 0 FEADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446054375 560138728 /nfs/dbraw/zinc/13/87/28/560138728.db2.gz OFOGQHKQXIPBCT-IRXDYDNUSA-N 1 3 374.529 2.108 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[NH2+]CC3(C)C)CC2)c1 ZINC000449707445 560237734 /nfs/dbraw/zinc/23/77/34/560237734.db2.gz QWJPEWXEAJCMFW-IBGZPJMESA-N 1 3 358.530 2.011 20 0 FEADHO CC[C@@H]1[C@@H](CO)CCN1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000451256790 560296302 /nfs/dbraw/zinc/29/63/02/560296302.db2.gz PIEBRPHWANKDDZ-TZIWHRDSSA-N 1 3 373.541 2.168 20 0 FEADHO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)N(C)C ZINC000453577826 560389467 /nfs/dbraw/zinc/38/94/67/560389467.db2.gz XIENEVKEMHIQHP-IEBWSBKVSA-N 1 3 374.529 2.267 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCC3CCOCC3)CC2)CC1 ZINC000454450515 560445075 /nfs/dbraw/zinc/44/50/75/560445075.db2.gz HRQKPDQNBKREAU-UHFFFAOYSA-N 1 3 366.550 2.051 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCCC3(F)F)CC2)CC1 ZINC000454454677 560445095 /nfs/dbraw/zinc/44/50/95/560445095.db2.gz MAJXDHVBBPWRJE-CQSZACIVSA-N 1 3 358.477 2.280 20 0 FEADHO CN(C)C1(CNC(=O)NCCCC[N@H+](C)C2CC2)Cc2ccccc2C1 ZINC000454549259 560449060 /nfs/dbraw/zinc/44/90/60/560449060.db2.gz NGZDNNKAIJWKNN-UHFFFAOYSA-N 1 3 358.530 2.259 20 0 FEADHO CN(C)C1(CNC(=O)NCCCC[N@@H+](C)C2CC2)Cc2ccccc2C1 ZINC000454549259 560449061 /nfs/dbraw/zinc/44/90/61/560449061.db2.gz NGZDNNKAIJWKNN-UHFFFAOYSA-N 1 3 358.530 2.259 20 0 FEADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H]3CCCN(CCCO)C3)ccc21 ZINC000455872811 560498526 /nfs/dbraw/zinc/49/85/26/560498526.db2.gz ZFVCDHQJISXZKA-PKOBYXMFSA-N 1 3 360.502 2.204 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)CC2)c1 ZINC000457133356 560552094 /nfs/dbraw/zinc/55/20/94/560552094.db2.gz VFSXOMAJQAVDHJ-NRFANRHFSA-N 1 3 372.557 2.448 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)CC2)c1 ZINC000457133356 560552095 /nfs/dbraw/zinc/55/20/95/560552095.db2.gz VFSXOMAJQAVDHJ-NRFANRHFSA-N 1 3 372.557 2.448 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C(C)C)C2)[C@@H](C)C1 ZINC000458407531 560620668 /nfs/dbraw/zinc/62/06/68/560620668.db2.gz LFXDHDCDRKTPRB-OTWHNJEPSA-N 1 3 368.566 2.248 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C(C)C)C2)[C@@H](C)C1 ZINC000458407531 560620670 /nfs/dbraw/zinc/62/06/70/560620670.db2.gz LFXDHDCDRKTPRB-OTWHNJEPSA-N 1 3 368.566 2.248 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)N(C)C)cc1 ZINC000458753490 560646296 /nfs/dbraw/zinc/64/62/96/560646296.db2.gz HVAKVHHKTBVZDO-YSIASYRMSA-N 1 3 374.529 2.422 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)N(C)C)cc1 ZINC000458753490 560646297 /nfs/dbraw/zinc/64/62/97/560646297.db2.gz HVAKVHHKTBVZDO-YSIASYRMSA-N 1 3 374.529 2.422 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@@H](OC)C12CCC2 ZINC000459283852 560677385 /nfs/dbraw/zinc/67/73/85/560677385.db2.gz DLIQYZLGCSMPRI-KZNAEPCWSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@@H](OC)C12CCC2 ZINC000459283852 560677387 /nfs/dbraw/zinc/67/73/87/560677387.db2.gz DLIQYZLGCSMPRI-KZNAEPCWSA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000459569783 560694575 /nfs/dbraw/zinc/69/45/75/560694575.db2.gz YVBHQPZNTHONIL-FQEVSTJZSA-N 1 3 353.551 2.456 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000459569783 560694572 /nfs/dbraw/zinc/69/45/72/560694572.db2.gz YVBHQPZNTHONIL-FQEVSTJZSA-N 1 3 353.551 2.456 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCOc1ccccc1 ZINC000465410257 560865029 /nfs/dbraw/zinc/86/50/29/560865029.db2.gz NKPFYVSDRYOFOI-GOSISDBHSA-N 1 3 362.518 2.123 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCOc1ccccc1 ZINC000465410257 560865030 /nfs/dbraw/zinc/86/50/30/560865030.db2.gz NKPFYVSDRYOFOI-GOSISDBHSA-N 1 3 362.518 2.123 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)C[C@H]1CCCO1)[N@@H+]1CCCC[C@H]1C ZINC000465527636 560867291 /nfs/dbraw/zinc/86/72/91/560867291.db2.gz QUXRVVGRQBYFLP-FGTMMUONSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)C[C@H]1CCCO1)[N@H+]1CCCC[C@H]1C ZINC000465527636 560867292 /nfs/dbraw/zinc/86/72/92/560867292.db2.gz QUXRVVGRQBYFLP-FGTMMUONSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCOC1CCCCC1 ZINC000465706716 560871395 /nfs/dbraw/zinc/87/13/95/560871395.db2.gz CNPXZDDQCRPXTK-SFHVURJKSA-N 1 3 368.566 2.393 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCOC1CCCCC1 ZINC000465706716 560871396 /nfs/dbraw/zinc/87/13/96/560871396.db2.gz CNPXZDDQCRPXTK-SFHVURJKSA-N 1 3 368.566 2.393 20 0 FEADHO CCC[NH+]1CCC(NC(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000466017664 560878112 /nfs/dbraw/zinc/87/81/12/560878112.db2.gz OMVBODBPSMWLGM-UHFFFAOYSA-N 1 3 358.530 2.259 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)c1 ZINC000467810362 560917963 /nfs/dbraw/zinc/91/79/63/560917963.db2.gz DIOSDBCITQXRRF-NQIIRXRSSA-N 1 3 370.541 2.106 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)CC2)c1 ZINC000467810362 560917964 /nfs/dbraw/zinc/91/79/64/560917964.db2.gz DIOSDBCITQXRRF-NQIIRXRSSA-N 1 3 370.541 2.106 20 0 FEADHO CCCC[N@H+](C)CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000468767163 560938360 /nfs/dbraw/zinc/93/83/60/560938360.db2.gz AWBUJLKTNZBBHT-UHFFFAOYSA-N 1 3 360.546 2.355 20 0 FEADHO CCCC[N@@H+](C)CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000468767163 560938361 /nfs/dbraw/zinc/93/83/61/560938361.db2.gz AWBUJLKTNZBBHT-UHFFFAOYSA-N 1 3 360.546 2.355 20 0 FEADHO CC[C@H](C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)N(CC)CC ZINC000468814399 560939591 /nfs/dbraw/zinc/93/95/91/560939591.db2.gz DAEDKZVQIMGWTA-GBESFXJTSA-N 1 3 352.567 2.124 20 0 FEADHO CC[N@@H+]1CC[C@H](NCCN2CCN(C(=O)C3CCCCC3)CC2)[C@H](C)C1 ZINC000468906943 560942039 /nfs/dbraw/zinc/94/20/39/560942039.db2.gz HRQMKKUKLBDRQH-QUCCMNQESA-N 1 3 364.578 2.031 20 0 FEADHO CC[N@H+]1CC[C@H](NCCN2CCN(C(=O)C3CCCCC3)CC2)[C@H](C)C1 ZINC000468906943 560942040 /nfs/dbraw/zinc/94/20/40/560942040.db2.gz HRQMKKUKLBDRQH-QUCCMNQESA-N 1 3 364.578 2.031 20 0 FEADHO COc1cc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)ccc1OCC[NH+](C)C ZINC000469182459 560949143 /nfs/dbraw/zinc/94/91/43/560949143.db2.gz ZBWYICGKSKZYBP-IYBDPMFKSA-N 1 3 363.502 2.125 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COC(C)(C)C(F)(F)F ZINC000469345940 560953049 /nfs/dbraw/zinc/95/30/49/560953049.db2.gz XNQNTEZCNFZUME-AWEZNQCLSA-N 1 3 367.456 2.218 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COC(C)(C)C(F)(F)F ZINC000469345940 560953050 /nfs/dbraw/zinc/95/30/50/560953050.db2.gz XNQNTEZCNFZUME-AWEZNQCLSA-N 1 3 367.456 2.218 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000469529998 560957313 /nfs/dbraw/zinc/95/73/13/560957313.db2.gz YEZMLOYHOPRDSY-GOSISDBHSA-N 1 3 358.530 2.242 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000469529998 560957314 /nfs/dbraw/zinc/95/73/14/560957314.db2.gz YEZMLOYHOPRDSY-GOSISDBHSA-N 1 3 358.530 2.242 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cnc(-c3ccccc3)[nH]2)C1)[C@H]1CCC[NH2+]1 ZINC000469848886 560966308 /nfs/dbraw/zinc/96/63/08/560966308.db2.gz ORHQZWVQWIOKIC-QFBILLFUSA-N 1 3 367.497 2.157 20 0 FEADHO CN(C)Cc1cccc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000470520476 560983960 /nfs/dbraw/zinc/98/39/60/560983960.db2.gz IUUVAGUOOVVNCF-JOCHJYFZSA-N 1 3 367.493 2.115 20 0 FEADHO CN(C)Cc1cccc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000470520476 560983961 /nfs/dbraw/zinc/98/39/61/560983961.db2.gz IUUVAGUOOVVNCF-JOCHJYFZSA-N 1 3 367.493 2.115 20 0 FEADHO CCN(CCC[NH+](C)C)C(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000470844344 560991285 /nfs/dbraw/zinc/99/12/85/560991285.db2.gz KXCONZWYILMHFV-UHFFFAOYSA-N 1 3 360.546 2.307 20 0 FEADHO CC(C)[N@H+](C)CCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000471812000 561012252 /nfs/dbraw/zinc/01/22/52/561012252.db2.gz QFCFAOCHTGNMQD-UHFFFAOYSA-N 1 3 364.456 2.431 20 0 FEADHO CC(C)[N@@H+](C)CCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000471812000 561012253 /nfs/dbraw/zinc/01/22/53/561012253.db2.gz QFCFAOCHTGNMQD-UHFFFAOYSA-N 1 3 364.456 2.431 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)C1 ZINC000472969926 561038974 /nfs/dbraw/zinc/03/89/74/561038974.db2.gz SMENDRWVWJAUSS-GBESFXJTSA-N 1 3 368.566 2.249 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)C1 ZINC000472981503 561039364 /nfs/dbraw/zinc/03/93/64/561039364.db2.gz VZJLMNKVCQFODM-OTWHNJEPSA-N 1 3 368.566 2.392 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000472981545 561039411 /nfs/dbraw/zinc/03/94/11/561039411.db2.gz WXGSBJMCFIYJGP-QZTJIDSGSA-N 1 3 354.539 2.003 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)CC1 ZINC000473822120 561058316 /nfs/dbraw/zinc/05/83/16/561058316.db2.gz SSUMRKBZMBMCMC-FUHWJXTLSA-N 1 3 359.518 2.433 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000473822120 561058317 /nfs/dbraw/zinc/05/83/17/561058317.db2.gz SSUMRKBZMBMCMC-FUHWJXTLSA-N 1 3 359.518 2.433 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000475039378 561088540 /nfs/dbraw/zinc/08/85/40/561088540.db2.gz QHQBOKXPDFLBLA-CTNGQTDRSA-N 1 3 372.557 2.069 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000475039378 561088541 /nfs/dbraw/zinc/08/85/41/561088541.db2.gz QHQBOKXPDFLBLA-CTNGQTDRSA-N 1 3 372.557 2.069 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCC[C@@H](OC)C1 ZINC000475449207 561097551 /nfs/dbraw/zinc/09/75/51/561097551.db2.gz BXQDCCIXVJEOAF-GUDVDZBRSA-N 1 3 353.551 2.456 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCC[C@@H](OC)C1 ZINC000475449207 561097552 /nfs/dbraw/zinc/09/75/52/561097552.db2.gz BXQDCCIXVJEOAF-GUDVDZBRSA-N 1 3 353.551 2.456 20 0 FEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCN1CCOC ZINC000477105335 561136761 /nfs/dbraw/zinc/13/67/61/561136761.db2.gz BXRARUXYDLOQNJ-QZTJIDSGSA-N 1 3 354.539 2.051 20 0 FEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCN1CCOC ZINC000477105335 561136762 /nfs/dbraw/zinc/13/67/62/561136762.db2.gz BXRARUXYDLOQNJ-QZTJIDSGSA-N 1 3 354.539 2.051 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[NH2+]C34CCC4)c2)CC1 ZINC000528691165 562342257 /nfs/dbraw/zinc/34/22/57/562342257.db2.gz RNKXYWFIBANNOX-SFHVURJKSA-N 1 3 357.502 2.235 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529313259 562368652 /nfs/dbraw/zinc/36/86/52/562368652.db2.gz JLPYYBVQMWGYGO-NZSAHSFTSA-N 1 3 356.514 2.481 20 0 FEADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000529353308 562370718 /nfs/dbraw/zinc/37/07/18/562370718.db2.gz WMQJVMPRXOCBSP-SLFFLAALSA-N 1 3 368.525 2.435 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238131 562403355 /nfs/dbraw/zinc/40/33/55/562403355.db2.gz JZJMZALWDKNKCP-UHOSZYNNSA-N 1 3 351.535 2.257 20 0 FEADHO Cn1c2ccc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)cc2sc1=O ZINC000530248683 562404158 /nfs/dbraw/zinc/40/41/58/562404158.db2.gz OFNJEAHPRORTRI-INIZCTEOSA-N 1 3 361.511 2.191 20 0 FEADHO Cc1nc2ccccn2c1CNCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000530773696 562423587 /nfs/dbraw/zinc/42/35/87/562423587.db2.gz PFNFCPZGWICNNF-UHFFFAOYSA-N 1 3 365.481 2.224 20 0 FEADHO Cc1cc(NC(=O)NC2CC[NH+](C(C)C)CC2)n(C2CCN(C)CC2)n1 ZINC000530951238 562429541 /nfs/dbraw/zinc/42/95/41/562429541.db2.gz XISAOMUAWHAVQE-UHFFFAOYSA-N 1 3 362.522 2.453 20 0 FEADHO COc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1Br ZINC000531357588 562443151 /nfs/dbraw/zinc/44/31/51/562443151.db2.gz FYOPJDOPJSOQHB-UHFFFAOYSA-N 1 3 372.307 2.023 20 0 FEADHO COc1ccc(S[C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000531356989 562443210 /nfs/dbraw/zinc/44/32/10/562443210.db2.gz OMBCZBSJNDNXBA-HNNXBMFYSA-N 1 3 353.532 2.128 20 0 FEADHO Cc1cc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)n(C2CCN(C)CC2)n1 ZINC000531793961 562456932 /nfs/dbraw/zinc/45/69/32/562456932.db2.gz FLLUANLGULSQMY-OAHLLOKOSA-N 1 3 362.522 2.312 20 0 FEADHO CCc1ccc([C@@H](CNC(=O)NCCNc2cc[nH+]cc2)N(C)C)cc1 ZINC000535262744 562554551 /nfs/dbraw/zinc/55/45/51/562554551.db2.gz WNUALMFQCMTMBF-LJQANCHMSA-N 1 3 355.486 2.080 20 0 FEADHO CN(CCC(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)c1ccncc1 ZINC000540927030 562597124 /nfs/dbraw/zinc/59/71/24/562597124.db2.gz VGJOKSSFBZJHPE-SFHVURJKSA-N 1 3 368.485 2.082 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C(=O)OC)c(C)[nH]2)[C@H](C)C1 ZINC000602547392 567990311 /nfs/dbraw/zinc/99/03/11/567990311.db2.gz YBNFQODFRGAKGK-KDOFPFPSSA-N 1 3 351.491 2.336 20 0 FEADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000602656129 568006298 /nfs/dbraw/zinc/00/62/98/568006298.db2.gz WHONJCJWTGPVEB-VQIMIIECSA-N 1 3 362.514 2.232 20 0 FEADHO CC1CC[NH+](CCCCNC(=O)N2CCC(OCCN(C)C)CC2)CC1 ZINC000604172325 568221318 /nfs/dbraw/zinc/22/13/18/568221318.db2.gz CNLJACVLGDZFMD-UHFFFAOYSA-N 1 3 368.566 2.251 20 0 FEADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000604604991 568323753 /nfs/dbraw/zinc/32/37/53/568323753.db2.gz KGWFGNNEIGYHOO-FQEVSTJZSA-N 1 3 372.557 2.389 20 0 FEADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000604604991 568323754 /nfs/dbraw/zinc/32/37/54/568323754.db2.gz KGWFGNNEIGYHOO-FQEVSTJZSA-N 1 3 372.557 2.389 20 0 FEADHO C[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1ccc(Br)cc1 ZINC000629564435 676859762 /nfs/dbraw/zinc/85/97/62/676859762.db2.gz KHSADJQELYMJOH-DZGCQCFKSA-N 1 3 357.292 2.263 20 0 FEADHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000825577228 608516490 /nfs/dbraw/zinc/51/64/90/608516490.db2.gz UIABRSWEXYVQQM-AEFFLSMTSA-N 1 3 358.490 2.191 20 0 FEADHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825577228 608516491 /nfs/dbraw/zinc/51/64/91/608516491.db2.gz UIABRSWEXYVQQM-AEFFLSMTSA-N 1 3 358.490 2.191 20 0 FEADHO C[NH+]1CCC(n2ccc(NC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)n2)CC1 ZINC000811469003 674607070 /nfs/dbraw/zinc/60/70/70/674607070.db2.gz RKFQOGOQJDMGID-GOSISDBHSA-N 1 3 351.470 2.301 20 0 FEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000562959492 674827324 /nfs/dbraw/zinc/82/73/24/674827324.db2.gz VMNKYMWJOIBCAY-APWZRJJASA-N 1 3 365.543 2.219 20 0 FEADHO Cc1ccc(OC[C@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)c(C)c1 ZINC000570325194 670696498 /nfs/dbraw/zinc/69/64/98/670696498.db2.gz PJQVASAHQQFIGE-RTBURBONSA-N 1 3 350.503 2.134 20 0 FEADHO Cc1ccc(OC[C@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)c(C)c1 ZINC000570325194 670696503 /nfs/dbraw/zinc/69/65/03/670696503.db2.gz PJQVASAHQQFIGE-RTBURBONSA-N 1 3 350.503 2.134 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000572721895 671037156 /nfs/dbraw/zinc/03/71/56/671037156.db2.gz JAJWVIVWVDCGFW-NSHDSACASA-N 1 3 374.710 2.389 20 0 FEADHO CSC1(CN[C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC[NH+](C)CC1 ZINC000565983609 675165581 /nfs/dbraw/zinc/16/55/81/675165581.db2.gz MFEVQXLFJWBZCP-HNNXBMFYSA-N 1 3 355.935 2.153 20 0 FEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000574199494 671213868 /nfs/dbraw/zinc/21/38/68/671213868.db2.gz FPRVPGGPDDUTNC-CAMMJAKZSA-N 1 3 351.535 2.112 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)C(C)(C)O)CC2)CC1 ZINC000576648511 671384398 /nfs/dbraw/zinc/38/43/98/671384398.db2.gz OCIAPZRBSADGCP-UHFFFAOYSA-N 1 3 353.551 2.096 20 0 FEADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1cccc(Br)c1 ZINC000578979328 671703399 /nfs/dbraw/zinc/70/33/99/671703399.db2.gz BJJXWNSXGORIBT-INIZCTEOSA-N 1 3 369.303 2.405 20 0 FEADHO CS(=O)(=O)[C@@H]1CCC[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000579225572 671720652 /nfs/dbraw/zinc/72/06/52/671720652.db2.gz SDAKQOAJFJNYIQ-BUIAKZPTSA-N 1 3 364.511 2.188 20 0 FEADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCOc1cccc(Cl)c1 ZINC000580952048 671850081 /nfs/dbraw/zinc/85/00/81/671850081.db2.gz CVDSUCWIAGTMGA-JKSUJKDBSA-N 1 3 365.905 2.157 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122906935 671972521 /nfs/dbraw/zinc/97/25/21/671972521.db2.gz NWYUJEPDFLVNRG-IAGOWNOFSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCCN1CCCC1 ZINC000184847621 672509024 /nfs/dbraw/zinc/50/90/24/672509024.db2.gz LNGGIYJYZIBARI-DLBZAZTESA-N 1 3 355.523 2.476 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccccc1Cl)N(C)C ZINC000245926848 672826569 /nfs/dbraw/zinc/82/65/69/672826569.db2.gz WVIYOIJEESOLBH-WMLDXEAASA-N 1 3 351.926 2.331 20 0 FEADHO C[C@]1(CO)CCCN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000544760930 673731433 /nfs/dbraw/zinc/73/14/33/673731433.db2.gz SADCBPNTGGTFFO-LJQANCHMSA-N 1 3 363.527 2.021 20 0 FEADHO CN1CCC([NH+]2CCC(NC[C@H](O)c3c(F)cccc3F)CC2)CC1 ZINC000818989036 675250253 /nfs/dbraw/zinc/25/02/53/675250253.db2.gz YAIFCBZZUPVKJQ-SFHVURJKSA-N 1 3 353.457 2.146 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000819182822 675267715 /nfs/dbraw/zinc/26/77/15/675267715.db2.gz QVYBGRRDVPWAJM-LPHOPBHVSA-N 1 3 357.539 2.220 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000819182822 675267716 /nfs/dbraw/zinc/26/77/16/675267716.db2.gz QVYBGRRDVPWAJM-LPHOPBHVSA-N 1 3 357.539 2.220 20 0 FEADHO CN1CCN(CC[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000819288048 675277496 /nfs/dbraw/zinc/27/74/96/675277496.db2.gz TVNXFJJKGIOLON-MRXNPFEDSA-N 1 3 359.436 2.354 20 0 FEADHO CN1CCN(CC[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000819287955 675277656 /nfs/dbraw/zinc/27/76/56/675277656.db2.gz SOIKKXWXJXIBPD-MRXNPFEDSA-N 1 3 359.436 2.354 20 0 FEADHO CN(CCCN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O)CC[NH+](C)C ZINC000567424651 675292171 /nfs/dbraw/zinc/29/21/71/675292171.db2.gz JLTFTBLRXSGQTR-GOSISDBHSA-N 1 3 366.937 2.261 20 0 FEADHO CCC[C@H](C)[C@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568223245 675359945 /nfs/dbraw/zinc/35/99/45/675359945.db2.gz LLCGAVBOJJBPMM-LPHOPBHVSA-N 1 3 353.551 2.096 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]4CSC[C@H]4C3)CC2)CC1 ZINC000827118430 675730870 /nfs/dbraw/zinc/73/08/70/675730870.db2.gz CHAXQDUVEJWUGX-ZWKOTPCHSA-N 1 3 365.587 2.394 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1csc(-c2ccoc2)n1 ZINC000617505427 676288718 /nfs/dbraw/zinc/28/87/18/676288718.db2.gz BVUVGRKCWVHTSL-AWEZNQCLSA-N 1 3 364.515 2.334 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1csc(-c2ccoc2)n1 ZINC000617505427 676288721 /nfs/dbraw/zinc/28/87/21/676288721.db2.gz BVUVGRKCWVHTSL-AWEZNQCLSA-N 1 3 364.515 2.334 20 0 FEADHO O[C@H](C[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)CN1CCCC1 ZINC000629561253 676859460 /nfs/dbraw/zinc/85/94/60/676859460.db2.gz HELYRAZPIIPPTP-ZWKOTPCHSA-N 1 3 369.912 2.490 20 0 FEADHO O[C@@H](C[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1)CN1CCCC1 ZINC000629578435 676860796 /nfs/dbraw/zinc/86/07/96/676860796.db2.gz YHMKAVAXWBUDQW-GJZGRUSLSA-N 1 3 357.420 2.330 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000629650377 676864085 /nfs/dbraw/zinc/86/40/85/676864085.db2.gz SSBQWUDRQSNRJB-ZBFHGGJFSA-N 1 3 351.441 2.342 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000629650377 676864088 /nfs/dbraw/zinc/86/40/88/676864088.db2.gz SSBQWUDRQSNRJB-ZBFHGGJFSA-N 1 3 351.441 2.342 20 0 FEADHO COC[C@@]1(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCCCN1 ZINC000638086912 677139620 /nfs/dbraw/zinc/13/96/20/677139620.db2.gz XEUQJCIKPIDFSX-UYAOXDASSA-N 1 3 351.535 2.116 20 0 FEADHO COC[C@]1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCCN1 ZINC000638102921 677139886 /nfs/dbraw/zinc/13/98/86/677139886.db2.gz XPKVGGOENDAFIE-ICSRJNTNSA-N 1 3 351.535 2.260 20 0 FEADHO COc1cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc(OC)c1OC ZINC000638305497 677143280 /nfs/dbraw/zinc/14/32/80/677143280.db2.gz ZKXDFPXTTUCXSV-UHFFFAOYSA-N 1 3 352.475 2.037 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccn(C(F)F)c2=O)[C@H](C)C1 ZINC000638593983 677147538 /nfs/dbraw/zinc/14/75/38/677147538.db2.gz BBQYKQMQLWMDLN-ZBFHGGJFSA-N 1 3 357.445 2.470 20 0 FEADHO CN(C)C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000638664014 677148648 /nfs/dbraw/zinc/14/86/48/677148648.db2.gz KYMIGUOKSKSFSV-SWLSCSKDSA-N 1 3 360.285 2.091 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000638729569 677149380 /nfs/dbraw/zinc/14/93/80/677149380.db2.gz RWPHJWKIWVUMSA-ZWKOTPCHSA-N 1 3 351.535 2.388 20 0 FEADHO C[NH+]1CCC(CNC(=S)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000760477871 680689303 /nfs/dbraw/zinc/68/93/03/680689303.db2.gz QCQDBQYSYDXSJY-UHFFFAOYSA-N 1 3 352.592 2.401 20 0 FEADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)Cn1cccn1 ZINC000644548880 677245600 /nfs/dbraw/zinc/24/56/00/677245600.db2.gz RYWZXNRVQPENCT-SFHVURJKSA-N 1 3 362.905 2.399 20 0 FEADHO CNC(=O)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804161 677306121 /nfs/dbraw/zinc/30/61/21/677306121.db2.gz KOQKUJFZCVOEQZ-DZKIICNBSA-N 1 3 357.420 2.327 20 0 FEADHO C[NH+]1CCN(c2ccc(NC(=O)[C@@H](N)c3cccc(Cl)c3)cn2)CC1 ZINC000648149551 677311958 /nfs/dbraw/zinc/31/19/58/677311958.db2.gz JABJCOZLNNAQBG-KRWDZBQOSA-N 1 3 359.861 2.125 20 0 FEADHO CN(C(=O)[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000649300672 677329016 /nfs/dbraw/zinc/32/90/16/677329016.db2.gz IAZJOEUBHJPAJI-DLBZAZTESA-N 1 3 351.441 2.354 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)[C@H]2C[NH2+]CCC2(F)F)N2CCCC2)cc1 ZINC000649309975 677329176 /nfs/dbraw/zinc/32/91/76/677329176.db2.gz MFTSEXYBBJINOQ-IAGOWNOFSA-N 1 3 351.441 2.493 20 0 FEADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348272 677481060 /nfs/dbraw/zinc/48/10/60/677481060.db2.gz ZOEMPCKNEUALTI-OVVGSQRUSA-N 1 3 351.535 2.288 20 0 FEADHO [NH3+][C@@H](CCC(=O)NC1CCN([C@@H]2CCOC2)CC1)CC1CCCCC1 ZINC000662707436 678653117 /nfs/dbraw/zinc/65/31/17/678653117.db2.gz DYWQBUTXTIPHLS-PKOBYXMFSA-N 1 3 351.535 2.434 20 0 FEADHO COc1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000663857529 678799246 /nfs/dbraw/zinc/79/92/46/678799246.db2.gz GNTZLYPOTYFUDY-HOTGVXAUSA-N 1 3 350.507 2.327 20 0 FEADHO COc1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000663857529 678799247 /nfs/dbraw/zinc/79/92/47/678799247.db2.gz GNTZLYPOTYFUDY-HOTGVXAUSA-N 1 3 350.507 2.327 20 0 FEADHO CC(C)O[C@H]1C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000664678302 678912902 /nfs/dbraw/zinc/91/29/02/678912902.db2.gz QUAIXGQIJYUJAI-ULQDDVLXSA-N 1 3 356.555 2.150 20 0 FEADHO CC(C)O[C@H]1C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000664678302 678912906 /nfs/dbraw/zinc/91/29/06/678912906.db2.gz QUAIXGQIJYUJAI-ULQDDVLXSA-N 1 3 356.555 2.150 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000665638819 678974553 /nfs/dbraw/zinc/97/45/53/678974553.db2.gz CZNXYOQWKMCFGB-LBPRGKRZSA-N 1 3 356.540 2.229 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000665638819 678974555 /nfs/dbraw/zinc/97/45/55/678974555.db2.gz CZNXYOQWKMCFGB-LBPRGKRZSA-N 1 3 356.540 2.229 20 0 FEADHO COc1c(F)cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1F ZINC000665639465 678974573 /nfs/dbraw/zinc/97/45/73/678974573.db2.gz ZIPSNDJAJREADX-LBPRGKRZSA-N 1 3 358.433 2.367 20 0 FEADHO COc1c(F)cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1F ZINC000665639465 678974574 /nfs/dbraw/zinc/97/45/74/678974574.db2.gz ZIPSNDJAJREADX-LBPRGKRZSA-N 1 3 358.433 2.367 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)OC2(CCCC2)C1 ZINC000665763669 678982729 /nfs/dbraw/zinc/98/27/29/678982729.db2.gz IOYVXPDXACNDLM-DLBZAZTESA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)OC2(CCCC2)C1 ZINC000665763669 678982732 /nfs/dbraw/zinc/98/27/32/678982732.db2.gz IOYVXPDXACNDLM-DLBZAZTESA-N 1 3 354.539 2.002 20 0 FEADHO C[NH+]1CCC(N2CC[C@H](NCc3cccc4c3OC(F)(F)O4)C2)CC1 ZINC000666272095 679012616 /nfs/dbraw/zinc/01/26/16/679012616.db2.gz LUFPYZFCVDBDIQ-AWEZNQCLSA-N 1 3 353.413 2.266 20 0 FEADHO CCn1nc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1C1CC1 ZINC000666276730 679013145 /nfs/dbraw/zinc/01/31/45/679013145.db2.gz LPVVRQQZBXXOAI-AWEZNQCLSA-N 1 3 350.511 2.174 20 0 FEADHO CCn1nc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1C1CC1 ZINC000666276730 679013146 /nfs/dbraw/zinc/01/31/46/679013146.db2.gz LPVVRQQZBXXOAI-AWEZNQCLSA-N 1 3 350.511 2.174 20 0 FEADHO CC(C)Cc1ncc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)s1 ZINC000666912837 679052495 /nfs/dbraw/zinc/05/24/95/679052495.db2.gz DVJWNJXVMLHHDC-QAPCUYQASA-N 1 3 350.532 2.078 20 0 FEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(COC)cs1 ZINC000667811750 679127687 /nfs/dbraw/zinc/12/76/87/679127687.db2.gz VLPLKBXSHYDLOH-INIZCTEOSA-N 1 3 353.532 2.383 20 0 FEADHO O=S(=O)(CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000840881881 680849030 /nfs/dbraw/zinc/84/90/30/680849030.db2.gz FZWGJYMNKVIZGM-YZGWKJHDSA-N 1 3 362.539 2.454 20 0 FEADHO O=S(=O)(CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000840881881 680849032 /nfs/dbraw/zinc/84/90/32/680849032.db2.gz FZWGJYMNKVIZGM-YZGWKJHDSA-N 1 3 362.539 2.454 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(F)c(F)c3)C2)CC[N@@H+]1C ZINC001018870987 680084326 /nfs/dbraw/zinc/08/43/26/680084326.db2.gz UMHRPYGDFAPCJA-RLFYNMQTSA-N 1 3 351.441 2.386 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(F)c(F)c3)C2)CC[N@H+]1C ZINC001018870987 680084332 /nfs/dbraw/zinc/08/43/32/680084332.db2.gz UMHRPYGDFAPCJA-RLFYNMQTSA-N 1 3 351.441 2.386 20 0 FEADHO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000834910125 680281603 /nfs/dbraw/zinc/28/16/03/680281603.db2.gz FRFPZCDXDYFWRD-INIZCTEOSA-N 1 3 355.523 2.475 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNCc3ncc(C)s3)C2)CC[N@@H+]1C ZINC001026855752 680351558 /nfs/dbraw/zinc/35/15/58/680351558.db2.gz MZLPTNOBTLZQRJ-HRCADAONSA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNCc3ncc(C)s3)C2)CC[N@H+]1C ZINC001026855752 680351563 /nfs/dbraw/zinc/35/15/63/680351563.db2.gz MZLPTNOBTLZQRJ-HRCADAONSA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2CC(F)(F)C2)CC[N@@H+]1C ZINC001029315651 680388584 /nfs/dbraw/zinc/38/85/84/680388584.db2.gz QJYSNOWDVXWPHL-VVLHAWIVSA-N 1 3 355.473 2.437 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2CC(F)(F)C2)CC[N@H+]1C ZINC001029315651 680388592 /nfs/dbraw/zinc/38/85/92/680388592.db2.gz QJYSNOWDVXWPHL-VVLHAWIVSA-N 1 3 355.473 2.437 20 0 FEADHO Cc1ncc(CN(C)C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001029741325 680390228 /nfs/dbraw/zinc/39/02/28/680390228.db2.gz PDIAEYHLOIAIBZ-FRFSOERESA-N 1 3 350.532 2.072 20 0 FEADHO Cc1ncc(CN(C)C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001029741325 680390233 /nfs/dbraw/zinc/39/02/33/680390233.db2.gz PDIAEYHLOIAIBZ-FRFSOERESA-N 1 3 350.532 2.072 20 0 FEADHO Cc1nsc(C)c1CN(C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001029742318 680390971 /nfs/dbraw/zinc/39/09/71/680390971.db2.gz QTWCEPZFYMGPQN-DJIMGWMZSA-N 1 3 364.559 2.380 20 0 FEADHO Cc1nsc(C)c1CN(C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001029742318 680390975 /nfs/dbraw/zinc/39/09/75/680390975.db2.gz QTWCEPZFYMGPQN-DJIMGWMZSA-N 1 3 364.559 2.380 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3cc(C)ns3)C2)CC[N@@H+]1C ZINC000999202063 680398655 /nfs/dbraw/zinc/39/86/55/680398655.db2.gz VGVDPRXGMIGNLE-HYVNUMGLSA-N 1 3 350.532 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3cc(C)ns3)C2)CC[N@H+]1C ZINC000999202063 680398662 /nfs/dbraw/zinc/39/86/62/680398662.db2.gz VGVDPRXGMIGNLE-HYVNUMGLSA-N 1 3 350.532 2.262 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc(Cl)n1 ZINC000841848266 680914653 /nfs/dbraw/zinc/91/46/53/680914653.db2.gz GRWZBXJUWSFVHN-HZPDHXFCSA-N 1 3 350.894 2.424 20 0 FEADHO CC(=O)Nc1ccc(S(=O)(=O)CCCN(C)C2CCC([NH3+])CC2)cc1 ZINC000843355002 680999462 /nfs/dbraw/zinc/99/94/62/680999462.db2.gz IMEDZPOYPHGNEQ-UHFFFAOYSA-N 1 3 367.515 2.011 20 0 FEADHO COc1ccc(Cl)cc1CNC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000843363731 680999720 /nfs/dbraw/zinc/99/97/20/680999720.db2.gz MOAIYUIAODEFRT-UHFFFAOYSA-N 1 3 351.878 2.040 20 0 FEADHO Cc1ncsc1CN1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050051452 681040213 /nfs/dbraw/zinc/04/02/13/681040213.db2.gz XEGNPTAUHWSEOR-YYIAUSFCSA-N 1 3 362.543 2.215 20 0 FEADHO Cc1ncsc1CN1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050051452 681040214 /nfs/dbraw/zinc/04/02/14/681040214.db2.gz XEGNPTAUHWSEOR-YYIAUSFCSA-N 1 3 362.543 2.215 20 0 FEADHO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)C(C[C@H]1CCCO1)C(F)(F)F ZINC000846675701 681274755 /nfs/dbraw/zinc/27/47/55/681274755.db2.gz NGRXWOMFJMMHFL-ZIAGYGMSSA-N 1 3 360.380 2.494 20 0 FEADHO C[C@](O)(CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000848535456 681573321 /nfs/dbraw/zinc/57/33/21/681573321.db2.gz ZXTWKXAQUVMXLA-LPHOPBHVSA-N 1 3 354.441 2.405 20 0 FEADHO CN(C)C1(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CCCCCC1 ZINC000849111212 681655530 /nfs/dbraw/zinc/65/55/30/681655530.db2.gz WFKJIEOMXCJOHI-UHFFFAOYSA-N 1 3 355.527 2.280 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)NCCc1ccc(F)cc1 ZINC000849276216 681675895 /nfs/dbraw/zinc/67/58/95/681675895.db2.gz CHJSOUSNDYUMQR-HNNXBMFYSA-N 1 3 354.539 2.104 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)NCCc1ccc(F)cc1 ZINC000849276216 681675901 /nfs/dbraw/zinc/67/59/01/681675901.db2.gz CHJSOUSNDYUMQR-HNNXBMFYSA-N 1 3 354.539 2.104 20 0 FEADHO C[N@@H+]1CC[C@@H]1CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000913945941 685489794 /nfs/dbraw/zinc/48/97/94/685489794.db2.gz BGWIGDAZBGSYCG-QGZVFWFLSA-N 1 3 350.894 2.308 20 0 FEADHO C[N@H+]1CC[C@@H]1CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000913945941 685489795 /nfs/dbraw/zinc/48/97/95/685489795.db2.gz BGWIGDAZBGSYCG-QGZVFWFLSA-N 1 3 350.894 2.308 20 0 FEADHO CN(C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccsc1 ZINC000914073700 685493448 /nfs/dbraw/zinc/49/34/48/685493448.db2.gz PRZIAFPGUWOTOF-BZUAXINKSA-N 1 3 368.572 2.230 20 0 FEADHO CN(C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1ccsc1 ZINC000914073700 685493449 /nfs/dbraw/zinc/49/34/49/685493449.db2.gz PRZIAFPGUWOTOF-BZUAXINKSA-N 1 3 368.572 2.230 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000852013956 682203265 /nfs/dbraw/zinc/20/32/65/682203265.db2.gz XMFQXCNGJMIPGD-DLBZAZTESA-N 1 3 357.539 2.314 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000852013956 682203271 /nfs/dbraw/zinc/20/32/71/682203271.db2.gz XMFQXCNGJMIPGD-DLBZAZTESA-N 1 3 357.539 2.314 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccc(Br)o1 ZINC000855346106 682659594 /nfs/dbraw/zinc/65/95/94/682659594.db2.gz ONTOQYJUUZGRQM-XOVSCCBYSA-N 1 3 372.307 2.444 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccc(Br)o1 ZINC000855346106 682659597 /nfs/dbraw/zinc/65/95/97/682659597.db2.gz ONTOQYJUUZGRQM-XOVSCCBYSA-N 1 3 372.307 2.444 20 0 FEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](C(=O)OC(C)(C)C)C1CCOCC1 ZINC000926776610 683170020 /nfs/dbraw/zinc/17/00/20/683170020.db2.gz UIOUVXZFWRBNRC-KTGAGVNESA-N 1 3 352.519 2.301 20 0 FEADHO CN1CCC(NC(=S)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000921274158 683412601 /nfs/dbraw/zinc/41/26/01/683412601.db2.gz PDKRXODUEOHKGG-SFHVURJKSA-N 1 3 360.571 2.457 20 0 FEADHO CN1CCC(NC(=S)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000921274158 683412603 /nfs/dbraw/zinc/41/26/03/683412603.db2.gz PDKRXODUEOHKGG-SFHVURJKSA-N 1 3 360.571 2.457 20 0 FEADHO CC1([NH+]2CCCC2)CCC(NS(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC000921272962 683412658 /nfs/dbraw/zinc/41/26/58/683412658.db2.gz UEXGXRHNEZSVQG-ACBHZAAOSA-N 1 3 369.575 2.189 20 0 FEADHO CN1CCN(CC[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1(C)C ZINC000799727190 683488625 /nfs/dbraw/zinc/48/86/25/683488625.db2.gz YZPDFOBKAPSENJ-CVEARBPZSA-N 1 3 354.539 2.048 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCc2ccns2)CC1 ZINC000929683341 683626092 /nfs/dbraw/zinc/62/60/92/683626092.db2.gz PZUOCIAWNLYOOM-UHFFFAOYSA-N 1 3 352.548 2.102 20 0 FEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(CCOC)s3)C2)[C@H]1C(C)C ZINC000922393382 683713236 /nfs/dbraw/zinc/71/32/36/683713236.db2.gz JXDZNQBUMHPCLT-RWQQGDIJSA-N 1 3 367.559 2.291 20 0 FEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(CCOC)s3)C2)[C@H]1C(C)C ZINC000922393382 683713242 /nfs/dbraw/zinc/71/32/42/683713242.db2.gz JXDZNQBUMHPCLT-RWQQGDIJSA-N 1 3 367.559 2.291 20 0 FEADHO CC(C)CN(CC1CC[NH+](C)CC1)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC000872743811 685011731 /nfs/dbraw/zinc/01/17/31/685011731.db2.gz KFFLNBNLPSPAQQ-LJQANCHMSA-N 1 3 367.559 2.126 20 0 FEADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)N(C)C)cc1 ZINC000891446039 689063122 /nfs/dbraw/zinc/06/31/22/689063122.db2.gz LPORMZFBQQUMRI-HOTGVXAUSA-N 1 3 354.445 2.142 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N(CC[NH3+])Cc2cccc(Cl)c2)CN1C1CC1 ZINC000891660068 689088884 /nfs/dbraw/zinc/08/88/84/689088884.db2.gz IKOYETJCSZUSHC-XJKSGUPXSA-N 1 3 350.894 2.436 20 0 FEADHO COc1ccc(CN2CCC(C[NH2+]C3CCS(=O)CC3)CC2)cc1 ZINC000892751383 689238591 /nfs/dbraw/zinc/23/85/91/689238591.db2.gz VNTVXBPYZGAMDE-UHFFFAOYSA-N 1 3 350.528 2.408 20 0 FEADHO CCN1CCN(CCC[NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000893327464 689332840 /nfs/dbraw/zinc/33/28/40/689332840.db2.gz JPMFDKIQCSSYOR-UHFFFAOYSA-N 1 3 350.454 2.365 20 0 FEADHO C[C@H](NC(C)(C)CNS(=O)(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000905340841 691103971 /nfs/dbraw/zinc/10/39/71/691103971.db2.gz RZSPYQFRUQUICM-HNNXBMFYSA-N 1 3 353.532 2.035 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000905356689 691107898 /nfs/dbraw/zinc/10/78/98/691107898.db2.gz QQVNMFYPZPIYHG-GOSISDBHSA-N 1 3 365.543 2.147 20 0 FEADHO CN(C)Cc1ccnc(N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164693231 719760579 /nfs/dbraw/zinc/76/05/79/719760579.db2.gz YUVIFZWHJKTGGR-OXQOHEQNSA-N 1 3 371.460 2.336 20 0 FEADHO CCc1cccc(OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050801649 540414571 /nfs/dbraw/zinc/41/45/71/540414571.db2.gz WTAOMGWKMBCNSO-UHFFFAOYSA-N 1 3 359.514 2.303 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N[C@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000062641609 541152305 /nfs/dbraw/zinc/15/23/05/541152305.db2.gz NMQSXYFBDGMEFJ-PKOBYXMFSA-N 1 3 360.502 2.226 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N[C@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000062641609 541152307 /nfs/dbraw/zinc/15/23/07/541152307.db2.gz NMQSXYFBDGMEFJ-PKOBYXMFSA-N 1 3 360.502 2.226 20 0 FEADHO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000065523694 541243089 /nfs/dbraw/zinc/24/30/89/541243089.db2.gz YORQISSWYJBLME-PKOBYXMFSA-N 1 3 362.518 2.089 20 0 FEADHO COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000065523694 541243092 /nfs/dbraw/zinc/24/30/92/541243092.db2.gz YORQISSWYJBLME-PKOBYXMFSA-N 1 3 362.518 2.089 20 0 FEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)C1CCOCC1 ZINC000072521006 541825573 /nfs/dbraw/zinc/82/55/73/541825573.db2.gz NNGVFEMUZGFXRI-MOPGFXCFSA-N 1 3 368.566 2.249 20 0 FEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)C1CCOCC1 ZINC000072521006 541825576 /nfs/dbraw/zinc/82/55/76/541825576.db2.gz NNGVFEMUZGFXRI-MOPGFXCFSA-N 1 3 368.566 2.249 20 0 FEADHO CC[NH+]1CCC(CCNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000074027694 542027484 /nfs/dbraw/zinc/02/74/84/542027484.db2.gz DMGWJAPDGJFEPR-UHFFFAOYSA-N 1 3 372.557 2.437 20 0 FEADHO C[C@@H](CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1)N1CCC(C)CC1 ZINC000074257084 542060047 /nfs/dbraw/zinc/06/00/47/542060047.db2.gz KERLOXYZPKMWEL-SFHVURJKSA-N 1 3 361.534 2.219 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C1CCN(CCc2ccncc2)CC1 ZINC000074493928 542090341 /nfs/dbraw/zinc/09/03/41/542090341.db2.gz IAMKLYMVBKIDJO-HXUWFJFHSA-N 1 3 373.545 2.214 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N(C)C1CCN(CCc2ccncc2)CC1 ZINC000074493928 542090344 /nfs/dbraw/zinc/09/03/44/542090344.db2.gz IAMKLYMVBKIDJO-HXUWFJFHSA-N 1 3 373.545 2.214 20 0 FEADHO C[C@@H](C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1)N1CCCCCC1 ZINC000074539660 542096747 /nfs/dbraw/zinc/09/67/47/542096747.db2.gz ROBKLAKWKDZTML-KRWDZBQOSA-N 1 3 351.535 2.353 20 0 FEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000075329199 542170326 /nfs/dbraw/zinc/17/03/26/542170326.db2.gz IQRUMNQYWBMAIH-GOSISDBHSA-N 1 3 361.534 2.173 20 0 FEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000075329199 542170329 /nfs/dbraw/zinc/17/03/29/542170329.db2.gz IQRUMNQYWBMAIH-GOSISDBHSA-N 1 3 361.534 2.173 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]([NH+](CC)CC)C3)cc2)CC1 ZINC000075346568 542171482 /nfs/dbraw/zinc/17/14/82/542171482.db2.gz YKXYKPIBJZFFBR-FQEVSTJZSA-N 1 3 358.530 2.385 20 0 FEADHO CCN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@H]1CCOC1 ZINC000076720020 542317220 /nfs/dbraw/zinc/31/72/20/542317220.db2.gz LPQQPKNANVHEIT-HXUWFJFHSA-N 1 3 359.514 2.257 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000081365867 542651546 /nfs/dbraw/zinc/65/15/46/542651546.db2.gz FESSYDVCYSZPEW-NRFANRHFSA-N 1 3 370.541 2.286 20 0 FEADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CCOCC1 ZINC000090028303 542781117 /nfs/dbraw/zinc/78/11/17/542781117.db2.gz HKDLGDSPBGRWBF-KRWDZBQOSA-N 1 3 359.514 2.417 20 0 FEADHO COCCc1nc(C)c([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)s1 ZINC000092738519 542884809 /nfs/dbraw/zinc/88/48/09/542884809.db2.gz DGELOGOUUGCUIT-AWEZNQCLSA-N 1 3 354.564 2.317 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000093135288 542911349 /nfs/dbraw/zinc/91/13/49/542911349.db2.gz ZZSFRZUJUSZREP-GOSISDBHSA-N 1 3 359.518 2.329 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000093135288 542911353 /nfs/dbraw/zinc/91/13/53/542911353.db2.gz ZZSFRZUJUSZREP-GOSISDBHSA-N 1 3 359.518 2.329 20 0 FEADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000093138980 542912307 /nfs/dbraw/zinc/91/23/07/542912307.db2.gz QOAWOJMKTBOBFI-HKUYNNGSSA-N 1 3 359.518 2.470 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000093397612 542930620 /nfs/dbraw/zinc/93/06/20/542930620.db2.gz SYYXUZJHDTZJHC-KRWDZBQOSA-N 1 3 358.534 2.414 20 0 FEADHO CC[N@H+](CCNC(=O)NCC1(N2CCSCC2)CCCC1)C(C)C ZINC000102556751 543073092 /nfs/dbraw/zinc/07/30/92/543073092.db2.gz KTTIOENESXHXES-UHFFFAOYSA-N 1 3 356.580 2.378 20 0 FEADHO CC[N@@H+](CCNC(=O)NCC1(N2CCSCC2)CCCC1)C(C)C ZINC000102556751 543073096 /nfs/dbraw/zinc/07/30/96/543073096.db2.gz KTTIOENESXHXES-UHFFFAOYSA-N 1 3 356.580 2.378 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccccc1F)[N@H+](C)C1CC1 ZINC000105266865 543167854 /nfs/dbraw/zinc/16/78/54/543167854.db2.gz QPHYSWCUVAETPG-HNNXBMFYSA-N 1 3 350.482 2.382 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccccc1F)[N@@H+](C)C1CC1 ZINC000105266865 543167856 /nfs/dbraw/zinc/16/78/56/543167856.db2.gz QPHYSWCUVAETPG-HNNXBMFYSA-N 1 3 350.482 2.382 20 0 FEADHO COc1cc(CNCCC[N@@H+]2CCCN(C)CC2)cc(Cl)c1OC ZINC000105477005 543174255 /nfs/dbraw/zinc/17/42/55/543174255.db2.gz WJAVBPBVQLVSKE-UHFFFAOYSA-N 1 3 355.910 2.474 20 0 FEADHO COc1cc(CNCCC[N@H+]2CCCN(C)CC2)cc(Cl)c1OC ZINC000105477005 543174257 /nfs/dbraw/zinc/17/42/57/543174257.db2.gz WJAVBPBVQLVSKE-UHFFFAOYSA-N 1 3 355.910 2.474 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000108618808 543297633 /nfs/dbraw/zinc/29/76/33/543297633.db2.gz VKGCVKKAKRWHGF-LJQANCHMSA-N 1 3 372.513 2.067 20 0 FEADHO CC[NH+]1CCC(NC(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000109939348 543344521 /nfs/dbraw/zinc/34/45/21/543344521.db2.gz YWDJCXYABQMLKI-UHFFFAOYSA-N 1 3 358.530 2.189 20 0 FEADHO COc1c(C)cnc(CN2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1C ZINC000114075653 543503224 /nfs/dbraw/zinc/50/32/24/543503224.db2.gz JTWFRWJSYJSIRN-LJQANCHMSA-N 1 3 374.529 2.224 20 0 FEADHO COc1c(C)cnc(CN2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)c1C ZINC000114075653 543503228 /nfs/dbraw/zinc/50/32/28/543503228.db2.gz JTWFRWJSYJSIRN-LJQANCHMSA-N 1 3 374.529 2.224 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000247472415 549338576 /nfs/dbraw/zinc/33/85/76/549338576.db2.gz SMTKKONYGINTEY-FXAWDEMLSA-N 1 3 358.530 2.383 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000247472415 549338580 /nfs/dbraw/zinc/33/85/80/549338580.db2.gz SMTKKONYGINTEY-FXAWDEMLSA-N 1 3 358.530 2.383 20 0 FEADHO Cc1cc(C)n(-c2cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c2)n1 ZINC000119899844 543673553 /nfs/dbraw/zinc/67/35/53/543673553.db2.gz QRNHTTAVUJXDPS-UHFFFAOYSA-N 1 3 372.517 2.446 20 0 FEADHO Cc1ccn(-c2ccccc2NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000120273246 543677634 /nfs/dbraw/zinc/67/76/34/543677634.db2.gz UYYIHGVBSXVGGZ-UHFFFAOYSA-N 1 3 358.490 2.138 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000125309101 543874697 /nfs/dbraw/zinc/87/46/97/543874697.db2.gz BSHNEXZCIHROCW-UHFFFAOYSA-N 1 3 374.529 2.397 20 0 FEADHO C[C@@H](C(=O)NCC1CCCCC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000126429163 543935095 /nfs/dbraw/zinc/93/50/95/543935095.db2.gz BNCLPIVGDHLQTL-KRWDZBQOSA-N 1 3 352.567 2.029 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000127999233 544026941 /nfs/dbraw/zinc/02/69/41/544026941.db2.gz FMQCFRHUTDWDAW-ZBFHGGJFSA-N 1 3 372.513 2.154 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(NC(C)=O)c1 ZINC000128982717 544084517 /nfs/dbraw/zinc/08/45/17/544084517.db2.gz QYUFTMWDMZHPNU-IBGZPJMESA-N 1 3 360.502 2.133 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(NC(C)=O)c1 ZINC000128982717 544084520 /nfs/dbraw/zinc/08/45/20/544084520.db2.gz QYUFTMWDMZHPNU-IBGZPJMESA-N 1 3 360.502 2.133 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000150756649 544467944 /nfs/dbraw/zinc/46/79/44/544467944.db2.gz MMZNRWAIFBHYFC-QGZVFWFLSA-N 1 3 350.507 2.331 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000150756649 544467945 /nfs/dbraw/zinc/46/79/45/544467945.db2.gz MMZNRWAIFBHYFC-QGZVFWFLSA-N 1 3 350.507 2.331 20 0 FEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CC1(O)CCCC1 ZINC000152158908 544620184 /nfs/dbraw/zinc/62/01/84/544620184.db2.gz CDZWSKRRGUYPEU-SFHVURJKSA-N 1 3 373.541 2.393 20 0 FEADHO CN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000153753900 544818605 /nfs/dbraw/zinc/81/86/05/544818605.db2.gz HPYREEVRSLOLOY-HXUWFJFHSA-N 1 3 358.530 2.141 20 0 FEADHO CN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153753900 544818611 /nfs/dbraw/zinc/81/86/11/544818611.db2.gz HPYREEVRSLOLOY-HXUWFJFHSA-N 1 3 358.530 2.141 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000154072267 544860440 /nfs/dbraw/zinc/86/04/40/544860440.db2.gz LIHQNTRFEKAGFA-QGZVFWFLSA-N 1 3 352.910 2.462 20 0 FEADHO CCN1CCN(CCC[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000154251789 544881302 /nfs/dbraw/zinc/88/13/02/544881302.db2.gz WKUMIPCYJMTUFW-UHFFFAOYSA-N 1 3 358.574 2.311 20 0 FEADHO CC[C@H](C)[C@@H](N)C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000182513458 327778334 /nfs/dbraw/zinc/77/83/34/327778334.db2.gz QZDFVILYCLKPBT-FFZOFVMBSA-N 1 3 361.530 2.264 20 0 FEADHO CCO[C@H]1C[C@@](N)(C(=O)NCC2CC[NH+](CCC(C)C)CC2)C1(C)C ZINC000188265092 328076954 /nfs/dbraw/zinc/07/69/54/328076954.db2.gz VKNWZCJHVCCXCY-FXAWDEMLSA-N 1 3 353.551 2.393 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189144361 328131012 /nfs/dbraw/zinc/13/10/12/328131012.db2.gz QVNURWCHCQYTAV-SFHVURJKSA-N 1 3 373.520 2.434 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCCN2CCCCCC2)cc1 ZINC000189416949 328146733 /nfs/dbraw/zinc/14/67/33/328146733.db2.gz RUBNDKCLBWLCSQ-UHFFFAOYSA-N 1 3 374.529 2.459 20 0 FEADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000190842632 328235536 /nfs/dbraw/zinc/23/55/36/328235536.db2.gz LVXRALOEFUMZKS-WOJBJXKFSA-N 1 3 374.529 2.013 20 0 FEADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000190842647 328235670 /nfs/dbraw/zinc/23/56/70/328235670.db2.gz LVXRALOEFUMZKS-VQTJNVASSA-N 1 3 374.529 2.013 20 0 FEADHO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191462483 328266871 /nfs/dbraw/zinc/26/68/71/328266871.db2.gz HHSBFADXPOBSOY-WOJBJXKFSA-N 1 3 366.594 2.419 20 0 FEADHO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191462483 328266872 /nfs/dbraw/zinc/26/68/72/328266872.db2.gz HHSBFADXPOBSOY-WOJBJXKFSA-N 1 3 366.594 2.419 20 0 FEADHO CC(C)N1CCN(CCC[NH+]2CCC(OC[C@H]3CCCO3)CC2)CC1 ZINC000191540944 328270459 /nfs/dbraw/zinc/27/04/59/328270459.db2.gz DNTZSLIOOBKMIJ-HXUWFJFHSA-N 1 3 353.551 2.063 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCc4cccnc43)CC2)CC1 ZINC000192469334 328320551 /nfs/dbraw/zinc/32/05/51/328320551.db2.gz IJKOXLMAQMKQOL-LJQANCHMSA-N 1 3 356.514 2.176 20 0 FEADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)C(=O)NCC2CCCCC2)CC1 ZINC000192782404 328339371 /nfs/dbraw/zinc/33/93/71/328339371.db2.gz NKKZKELXJKMMIE-UHFFFAOYSA-N 1 3 366.594 2.467 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)C[C@H]2CSCCN2)cc1 ZINC000236882087 328497119 /nfs/dbraw/zinc/49/71/19/328497119.db2.gz IENVYAFQBQKWCZ-KRWDZBQOSA-N 1 3 365.543 2.119 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)c1ccccc1F ZINC000077805235 325017321 /nfs/dbraw/zinc/01/73/21/325017321.db2.gz ZIUVFVMTHBRMBX-UHFFFAOYSA-N 1 3 352.498 2.238 20 0 FEADHO O=C(CNC[C@H]1CCCO1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000237931982 328534690 /nfs/dbraw/zinc/53/46/90/328534690.db2.gz UPFXKYHDQQAZGI-HXUWFJFHSA-N 1 3 359.514 2.447 20 0 FEADHO C[NH+](C)CCNC(=O)C1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000092615655 325422074 /nfs/dbraw/zinc/42/20/74/325422074.db2.gz XWHZRNWRSGKTCL-UHFFFAOYSA-N 1 3 359.514 2.290 20 0 FEADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC1CCN(C2CC2)CC1 ZINC000093119452 325434360 /nfs/dbraw/zinc/43/43/60/325434360.db2.gz JPUWJIHYIQUGAD-UHFFFAOYSA-N 1 3 357.502 2.224 20 0 FEADHO C[NH+](C)[C@H]1CCN(C(=O)NCC2CCN(Cc3ccccc3F)CC2)C1 ZINC000107393584 325627169 /nfs/dbraw/zinc/62/71/69/325627169.db2.gz FMPUNIIVWQREGO-SFHVURJKSA-N 1 3 362.493 2.383 20 0 FEADHO CCN1CCN(CCC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000116454656 326016553 /nfs/dbraw/zinc/01/65/53/326016553.db2.gz TVXFZMGBTSZGBL-LJQANCHMSA-N 1 3 372.557 2.356 20 0 FEADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245812962 328573201 /nfs/dbraw/zinc/57/32/01/328573201.db2.gz PXFWHTWYVBZVCA-GHTZIAJQSA-N 1 3 372.557 2.182 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000120620043 326273593 /nfs/dbraw/zinc/27/35/93/326273593.db2.gz WDVUJNMAGGSAHF-IBGZPJMESA-N 1 3 372.513 2.164 20 0 FEADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2)CC1 ZINC000121360922 326332874 /nfs/dbraw/zinc/33/28/74/326332874.db2.gz LMPPHMNRODQFBD-NJYVYQBISA-N 1 3 355.526 2.481 20 0 FEADHO Cc1ccc(Nc2cccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2)nn1 ZINC000134850852 326632378 /nfs/dbraw/zinc/63/23/78/326632378.db2.gz DELJBQLUBDIPOY-UHFFFAOYSA-N 1 3 370.501 2.094 20 0 FEADHO CN(C)CCN1CCC([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000150994892 326672724 /nfs/dbraw/zinc/67/27/24/326672724.db2.gz OWIYOJJVZHUBOC-UHFFFAOYSA-N 1 3 370.541 2.435 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](CCO)CSC)CC1 ZINC000152252853 326702558 /nfs/dbraw/zinc/70/25/58/326702558.db2.gz PRWCXQABRGVEJS-GOSISDBHSA-N 1 3 351.560 2.422 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000154281740 326755786 /nfs/dbraw/zinc/75/57/86/326755786.db2.gz VIHULBHSUDSNQU-GOSISDBHSA-N 1 3 358.530 2.492 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000155631801 326797311 /nfs/dbraw/zinc/79/73/11/326797311.db2.gz NQOHHKJHKOGUIG-JKSUJKDBSA-N 1 3 365.518 2.389 20 0 FEADHO CN1CCN(CCC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000162518676 327027607 /nfs/dbraw/zinc/02/76/07/327027607.db2.gz RSRGTDDDLOGNNE-UHFFFAOYSA-N 1 3 362.537 2.060 20 0 FEADHO CCN1CCN(c2ccccc2C[NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC000162616737 327029843 /nfs/dbraw/zinc/02/98/43/327029843.db2.gz UALCHLJWFOASQM-UHFFFAOYSA-N 1 3 358.530 2.129 20 0 FEADHO NC1(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)Cc2ccccc2C1 ZINC000166375527 327081727 /nfs/dbraw/zinc/08/17/27/327081727.db2.gz XVARWMFIWFOYTN-LJQANCHMSA-N 1 3 363.505 2.164 20 0 FEADHO NC1(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)Cc2ccccc2C1 ZINC000166375527 327081728 /nfs/dbraw/zinc/08/17/28/327081728.db2.gz XVARWMFIWFOYTN-LJQANCHMSA-N 1 3 363.505 2.164 20 0 FEADHO NC1(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)Cc2ccccc2C1 ZINC000166375658 327081851 /nfs/dbraw/zinc/08/18/51/327081851.db2.gz XVARWMFIWFOYTN-IBGZPJMESA-N 1 3 363.505 2.164 20 0 FEADHO NC1(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)Cc2ccccc2C1 ZINC000166375658 327081853 /nfs/dbraw/zinc/08/18/53/327081853.db2.gz XVARWMFIWFOYTN-IBGZPJMESA-N 1 3 363.505 2.164 20 0 FEADHO C[C@H](C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)[C@H](N)c1ccccc1 ZINC000166609792 327082643 /nfs/dbraw/zinc/08/26/43/327082643.db2.gz CLJATTQVFHXHAF-IWFBPKFRSA-N 1 3 372.557 2.340 20 0 FEADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cnc2ccsc2c1 ZINC000168946042 327087681 /nfs/dbraw/zinc/08/76/81/327087681.db2.gz FASKWBQTUGIHNC-INIZCTEOSA-N 1 3 362.543 2.337 20 0 FEADHO COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168950093 327087788 /nfs/dbraw/zinc/08/77/88/327087788.db2.gz LPBMVPQMYRNIGQ-MRXNPFEDSA-N 1 3 369.937 2.389 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000170978630 327110680 /nfs/dbraw/zinc/11/06/80/327110680.db2.gz SZLMKBWILYJJIZ-SFHVURJKSA-N 1 3 358.530 2.289 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000170978630 327110681 /nfs/dbraw/zinc/11/06/81/327110681.db2.gz SZLMKBWILYJJIZ-SFHVURJKSA-N 1 3 358.530 2.289 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000170978633 327110703 /nfs/dbraw/zinc/11/07/03/327110703.db2.gz SZLMKBWILYJJIZ-GOSISDBHSA-N 1 3 358.530 2.289 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000170978633 327110704 /nfs/dbraw/zinc/11/07/04/327110704.db2.gz SZLMKBWILYJJIZ-GOSISDBHSA-N 1 3 358.530 2.289 20 0 FEADHO COC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000171057797 327115040 /nfs/dbraw/zinc/11/50/40/327115040.db2.gz LQTWAOCYVUIGIW-HXUWFJFHSA-N 1 3 374.529 2.232 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)CN2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000171944550 327171731 /nfs/dbraw/zinc/17/17/31/327171731.db2.gz IYJSTLXGIBBRLV-NRFANRHFSA-N 1 3 372.557 2.102 20 0 FEADHO Cc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c(OCC[NH+](C)C)c1 ZINC000173475577 327260022 /nfs/dbraw/zinc/26/00/22/327260022.db2.gz CTZFDRXNYBGMRA-KRWDZBQOSA-N 1 3 358.486 2.413 20 0 FEADHO Cc1nn(C)c2ncc(CN3CCC(OCC[NH+]4CCCC4)CC3)cc12 ZINC000173951672 327297199 /nfs/dbraw/zinc/29/71/99/327297199.db2.gz KNYRDKAKXKBBOS-UHFFFAOYSA-N 1 3 357.502 2.354 20 0 FEADHO O[C@H](COc1ccc(F)cc1)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173959507 327297771 /nfs/dbraw/zinc/29/77/71/327297771.db2.gz NBOMAJSUSWXUDX-SFHVURJKSA-N 1 3 366.477 2.142 20 0 FEADHO C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000174704843 327344486 /nfs/dbraw/zinc/34/44/86/327344486.db2.gz JSNMOPVGAZCWOA-IBGZPJMESA-N 1 3 372.513 2.173 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000174725000 327346166 /nfs/dbraw/zinc/34/61/66/327346166.db2.gz ATLJOIGAMPLMPY-IBGZPJMESA-N 1 3 370.541 2.108 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000174725000 327346167 /nfs/dbraw/zinc/34/61/67/327346167.db2.gz ATLJOIGAMPLMPY-IBGZPJMESA-N 1 3 370.541 2.108 20 0 FEADHO CN(C)CCN(Cc1ccccc1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262755959 328886990 /nfs/dbraw/zinc/88/69/90/328886990.db2.gz KWZWWUXHZQOQNK-SFHVURJKSA-N 1 3 355.486 2.012 20 0 FEADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)ccc2oc1=O ZINC000263285159 328930309 /nfs/dbraw/zinc/93/03/09/328930309.db2.gz UEMSBCLCSCAROG-BMFZPTHFSA-N 1 3 372.469 2.015 20 0 FEADHO C[NH+](C)C1(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCOCC1 ZINC000265112845 329092324 /nfs/dbraw/zinc/09/23/24/329092324.db2.gz SIIDVSARHAFGBG-IBGZPJMESA-N 1 3 374.529 2.061 20 0 FEADHO CCN(C(=O)/C=C/CN(C)C)c1ccc(NC(=O)/C=C/C[NH+](C)C)cc1 ZINC000265607909 329142499 /nfs/dbraw/zinc/14/24/99/329142499.db2.gz BLZXYIKQWZYVDY-FIFLTTCUSA-N 1 3 358.486 2.214 20 0 FEADHO CCN(C(=O)/C=C/C[NH+](C)C)c1ccc(NC(=O)/C=C/CN(C)C)cc1 ZINC000265607909 329142500 /nfs/dbraw/zinc/14/25/00/329142500.db2.gz BLZXYIKQWZYVDY-FIFLTTCUSA-N 1 3 358.486 2.214 20 0 FEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCN(C)CCCOC ZINC000266557393 329235985 /nfs/dbraw/zinc/23/59/85/329235985.db2.gz SYIYHGCSZIMFKR-UHFFFAOYSA-N 1 3 364.534 2.248 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CN1C1CC1 ZINC000267940138 329370198 /nfs/dbraw/zinc/37/01/98/329370198.db2.gz PXJLSRYBXMYKPL-FUHWJXTLSA-N 1 3 374.529 2.094 20 0 FEADHO COc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1Cn1cccn1 ZINC000268974691 329473987 /nfs/dbraw/zinc/47/39/87/329473987.db2.gz IXJIMAVYEICJSR-INIZCTEOSA-N 1 3 358.486 2.047 20 0 FEADHO CN1CCC(O)(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000269077366 329483604 /nfs/dbraw/zinc/48/36/04/329483604.db2.gz YULUNBXBCIBRAW-UHFFFAOYSA-N 1 3 351.922 2.351 20 0 FEADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000269094715 329484984 /nfs/dbraw/zinc/48/49/84/329484984.db2.gz RKIYMLYXFQNLQK-GDBMZVCRSA-N 1 3 372.531 2.106 20 0 FEADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000274136079 329918963 /nfs/dbraw/zinc/91/89/63/329918963.db2.gz YWKPIVGRXPTZGD-LNLFQRSKSA-N 1 3 359.514 2.170 20 0 FEADHO CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000279091360 330174942 /nfs/dbraw/zinc/17/49/42/330174942.db2.gz WIVSHVODBBBIGB-ROUUACIJSA-N 1 3 367.497 2.223 20 0 FEADHO CN(Cc1ccc(-n2ccnc2)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367116424 330218853 /nfs/dbraw/zinc/21/88/53/330218853.db2.gz CJAXASWCNICFTJ-OAQYLSRUSA-N 1 3 353.514 2.473 20 0 FEADHO CN(Cc1ccc(-n2ccnc2)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367116424 330218854 /nfs/dbraw/zinc/21/88/54/330218854.db2.gz CJAXASWCNICFTJ-OAQYLSRUSA-N 1 3 353.514 2.473 20 0 FEADHO OC1(C(F)F)CCN(CCCCC[NH+]2CCC(O)(C(F)F)CC2)CC1 ZINC000426234825 330271115 /nfs/dbraw/zinc/27/11/15/330271115.db2.gz ANPLRBFUIIQTND-UHFFFAOYSA-N 1 3 370.431 2.341 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)CC1 ZINC000155534520 545539319 /nfs/dbraw/zinc/53/93/19/545539319.db2.gz IQLIYFOSMXYXRW-IBGZPJMESA-N 1 3 358.530 2.177 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CNC(C)=O)C2)CC1 ZINC000155534520 545539323 /nfs/dbraw/zinc/53/93/23/545539323.db2.gz IQLIYFOSMXYXRW-IBGZPJMESA-N 1 3 358.530 2.177 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000478791475 561174979 /nfs/dbraw/zinc/17/49/79/561174979.db2.gz YMLYNPBQIRQWME-PMACEKPBSA-N 1 3 374.529 2.395 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000478791475 561174980 /nfs/dbraw/zinc/17/49/80/561174980.db2.gz YMLYNPBQIRQWME-PMACEKPBSA-N 1 3 374.529 2.395 20 0 FEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000478804222 561175132 /nfs/dbraw/zinc/17/51/32/561175132.db2.gz FYQLWDQGUSNPSF-SFHVURJKSA-N 1 3 362.518 2.301 20 0 FEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000478804222 561175133 /nfs/dbraw/zinc/17/51/33/561175133.db2.gz FYQLWDQGUSNPSF-SFHVURJKSA-N 1 3 362.518 2.301 20 0 FEADHO [NH3+]C[C@H](C(=O)NCCCN1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000479203215 561184493 /nfs/dbraw/zinc/18/44/93/561184493.db2.gz GSSXPKDLHJENCL-FQEVSTJZSA-N 1 3 355.457 2.433 20 0 FEADHO C[C@H]1CCC[N@H+](CCNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000479339484 561187699 /nfs/dbraw/zinc/18/76/99/561187699.db2.gz GKFNKYGMPUZPFF-MAUKXSAKSA-N 1 3 350.482 2.460 20 0 FEADHO C[C@H]1CCC[N@@H+](CCNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000479339484 561187700 /nfs/dbraw/zinc/18/77/00/561187700.db2.gz GKFNKYGMPUZPFF-MAUKXSAKSA-N 1 3 350.482 2.460 20 0 FEADHO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000479343148 561187786 /nfs/dbraw/zinc/18/77/86/561187786.db2.gz JGONNPYARFNFDU-HXUWFJFHSA-N 1 3 353.514 2.335 20 0 FEADHO C[C@H](NCC1(S(C)(=O)=O)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000479499236 561190815 /nfs/dbraw/zinc/19/08/15/561190815.db2.gz NSCRRXNFTOHPHK-HNNXBMFYSA-N 1 3 354.516 2.245 20 0 FEADHO C[C@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)N1CCC(C)CC1 ZINC000175687838 546334422 /nfs/dbraw/zinc/33/44/22/546334422.db2.gz HEXPDUUSZJAOQD-GOSISDBHSA-N 1 3 368.566 2.249 20 0 FEADHO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc(CN(C)C)ccc2C)CC1 ZINC000176094854 546405435 /nfs/dbraw/zinc/40/54/35/546405435.db2.gz JZCCGYZBWBOBCI-UHFFFAOYSA-N 1 3 374.529 2.233 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cccc(F)c3F)CC2)CC1 ZINC000176133678 546411445 /nfs/dbraw/zinc/41/14/45/546411445.db2.gz YWUZBGPZHYAIIA-UHFFFAOYSA-N 1 3 351.441 2.182 20 0 FEADHO CN(C)C(=O)CCN1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000482896491 561262545 /nfs/dbraw/zinc/26/25/45/561262545.db2.gz ZYBWHIJFNYYGRP-UHFFFAOYSA-N 1 3 364.578 2.316 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NCc2cccc(-n3cncn3)c2)[C@H](C)C1 ZINC000483194456 561269903 /nfs/dbraw/zinc/26/99/03/561269903.db2.gz ITTDIQAFLKMTNK-XLIONFOSSA-N 1 3 357.502 2.494 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NCc2cccc(-n3cncn3)c2)[C@H](C)C1 ZINC000483194456 561269904 /nfs/dbraw/zinc/26/99/04/561269904.db2.gz ITTDIQAFLKMTNK-XLIONFOSSA-N 1 3 357.502 2.494 20 0 FEADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCCN1C1CCOCC1 ZINC000182498365 547503973 /nfs/dbraw/zinc/50/39/73/547503973.db2.gz YTEULDJBSSGKLT-FQEVSTJZSA-N 1 3 363.546 2.401 20 0 FEADHO C[C@@H](CS(C)(=O)=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000183072946 547595935 /nfs/dbraw/zinc/59/59/35/547595935.db2.gz NSZJLLRUJHLLTI-KRWDZBQOSA-N 1 3 368.543 2.080 20 0 FEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000186704079 548177512 /nfs/dbraw/zinc/17/75/12/548177512.db2.gz GWEHVVQPTYMUDS-CKEIUWERSA-N 1 3 369.506 2.184 20 0 FEADHO CC(=O)c1cc(C(=O)N(CCCN(C)C)CCC[NH+](C)C)c(C)nc1C ZINC000486225305 561341658 /nfs/dbraw/zinc/34/16/58/561341658.db2.gz BAXSNFOBRFZLLE-UHFFFAOYSA-N 1 3 362.518 2.247 20 0 FEADHO CC(C)[C@H]1CN(c2cc(N3CC[N@H+](C)[C@@H](C(C)C)C3)ncn2)CCN1C ZINC000487134651 561364577 /nfs/dbraw/zinc/36/45/77/561364577.db2.gz HTYAZWSVOQHNJF-QZTJIDSGSA-N 1 3 360.550 2.029 20 0 FEADHO CC(C)[C@H]1CN(c2cc(N3CC[N@@H+](C)[C@@H](C(C)C)C3)ncn2)CCN1C ZINC000487134651 561364578 /nfs/dbraw/zinc/36/45/78/561364578.db2.gz HTYAZWSVOQHNJF-QZTJIDSGSA-N 1 3 360.550 2.029 20 0 FEADHO C[C@@H]([NH3+])C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000237458888 548828045 /nfs/dbraw/zinc/82/80/45/548828045.db2.gz ZKLVAPVPHUBYOB-CQSZACIVSA-N 1 3 372.435 2.071 20 0 FEADHO C[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000245658898 548969707 /nfs/dbraw/zinc/96/97/07/548969707.db2.gz MHIMDPXVLZCWLE-QNSYIDHGSA-N 1 3 362.562 2.017 20 0 FEADHO C[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000245658898 548969712 /nfs/dbraw/zinc/96/97/12/548969712.db2.gz MHIMDPXVLZCWLE-QNSYIDHGSA-N 1 3 362.562 2.017 20 0 FEADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)C[C@H](C)C1 ZINC000488203130 561385937 /nfs/dbraw/zinc/38/59/37/561385937.db2.gz OWZJJIVLPUMAMA-CEXWTWQISA-N 1 3 350.551 2.480 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@]4(C)[C@H](C3)C4(F)F)CC2)CC1 ZINC000488516906 561391084 /nfs/dbraw/zinc/39/10/84/561391084.db2.gz QQYMFZBTCOUXNH-FUHWJXTLSA-N 1 3 370.488 2.232 20 0 FEADHO C[C@@H]1CCC[C@@](CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)([NH+](C)C)C1 ZINC000246540751 549157644 /nfs/dbraw/zinc/15/76/44/549157644.db2.gz YDVUMPRYRXKIFX-QWFCFKBJSA-N 1 3 368.566 2.249 20 0 FEADHO CCN1CC[C@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)[C@H](C)C1 ZINC000246951644 549249685 /nfs/dbraw/zinc/24/96/85/549249685.db2.gz IDAANQNLSDMWMW-AHRSYUTCSA-N 1 3 359.514 2.415 20 0 FEADHO C[C@@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000247361573 549325212 /nfs/dbraw/zinc/32/52/12/549325212.db2.gz MLMDSMKAZLEDLS-YHDCXSKOSA-N 1 3 364.578 2.265 20 0 FEADHO C[C@@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000247361573 549325215 /nfs/dbraw/zinc/32/52/15/549325215.db2.gz MLMDSMKAZLEDLS-YHDCXSKOSA-N 1 3 364.578 2.265 20 0 FEADHO CCCCOC[C@H](O)C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000248644829 549475752 /nfs/dbraw/zinc/47/57/52/549475752.db2.gz FQYUJFASETUOIA-CMKODMSKSA-N 1 3 356.551 2.375 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H](C)C1 ZINC000249352146 549582268 /nfs/dbraw/zinc/58/22/68/549582268.db2.gz QFDUNTKTILRVMO-YSIASYRMSA-N 1 3 360.546 2.068 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H](C)C1 ZINC000249352146 549582274 /nfs/dbraw/zinc/58/22/74/549582274.db2.gz QFDUNTKTILRVMO-YSIASYRMSA-N 1 3 360.546 2.068 20 0 FEADHO O=C(CC[C@@H]1CC[NH2+]C1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000261782438 549755099 /nfs/dbraw/zinc/75/50/99/549755099.db2.gz JRCBZMCUFKOVEU-MRXNPFEDSA-N 1 3 363.477 2.175 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000262767391 549847872 /nfs/dbraw/zinc/84/78/72/549847872.db2.gz GMZYHGNHSYEUQK-JQVVWYNYSA-N 1 3 373.541 2.499 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000262767391 549847875 /nfs/dbraw/zinc/84/78/75/549847875.db2.gz GMZYHGNHSYEUQK-JQVVWYNYSA-N 1 3 373.541 2.499 20 0 FEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262850194 549855633 /nfs/dbraw/zinc/85/56/33/549855633.db2.gz VDWMYQQDSWKMLX-FUHWJXTLSA-N 1 3 355.486 2.058 20 0 FEADHO NC(=O)C1CCN(Cc2cccc(NC(=O)CCC3CC[NH2+]CC3)c2)CC1 ZINC000263110477 549878765 /nfs/dbraw/zinc/87/87/65/549878765.db2.gz AHCKWQVIGWVDGR-UHFFFAOYSA-N 1 3 372.513 2.102 20 0 FEADHO C[C@H]1CN(CC2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C[C@H](C)O1 ZINC000263238641 549888480 /nfs/dbraw/zinc/88/84/80/549888480.db2.gz FOUPOETUFAXTMT-XBPNIJIESA-N 1 3 363.546 2.255 20 0 FEADHO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cccc(CN2CCCC2)c1 ZINC000269178819 550163977 /nfs/dbraw/zinc/16/39/77/550163977.db2.gz ZXJIUHBDMAQDQN-UHFFFAOYSA-N 1 3 365.481 2.339 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2CNCCO2)C1 ZINC000269230913 550170080 /nfs/dbraw/zinc/17/00/80/550170080.db2.gz IPPXFFLMDMCFST-FUHIMQAGSA-N 1 3 359.514 2.159 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C[C@@H]2CNCCO2)C1 ZINC000269230913 550170082 /nfs/dbraw/zinc/17/00/82/550170082.db2.gz IPPXFFLMDMCFST-FUHIMQAGSA-N 1 3 359.514 2.159 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000269606044 550210010 /nfs/dbraw/zinc/21/00/10/550210010.db2.gz KHGIDDIAHJTEKX-QINHECLXSA-N 1 3 371.529 2.389 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000269606044 550210011 /nfs/dbraw/zinc/21/00/11/550210011.db2.gz KHGIDDIAHJTEKX-QINHECLXSA-N 1 3 371.529 2.389 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc([C@H]4CCOC4)c3)CC2)CC1 ZINC000270549666 550282556 /nfs/dbraw/zinc/28/25/56/550282556.db2.gz GQQDZKFBOLBVNG-IBGZPJMESA-N 1 3 371.525 2.479 20 0 FEADHO Cc1nc2ccc(C[NH2+]CCCCN3CCN(CCO)CC3)cc2s1 ZINC000494035657 561461088 /nfs/dbraw/zinc/46/10/88/561461088.db2.gz AGLSUSINMWIXKN-UHFFFAOYSA-N 1 3 362.543 2.084 20 0 FEADHO Cc1ccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c(OCC[NH+](C)C)c1 ZINC000272376386 550442014 /nfs/dbraw/zinc/44/20/14/550442014.db2.gz HETFYKAYLUVQLI-WMZOPIPTSA-N 1 3 360.502 2.493 20 0 FEADHO CC[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1(C(=O)OC)CCC1 ZINC000272740632 550467829 /nfs/dbraw/zinc/46/78/29/550467829.db2.gz KXGCVQLRNBIPGH-RBUKOAKNSA-N 1 3 360.498 2.465 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H]([NH+](C)C)CC3)CC2)c1 ZINC000277150732 550637623 /nfs/dbraw/zinc/63/76/23/550637623.db2.gz INNUAYHFQJRAFM-FQEVSTJZSA-N 1 3 372.557 2.450 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccsc1 ZINC000278989891 550843983 /nfs/dbraw/zinc/84/39/83/550843983.db2.gz KXRZTBQEZGCITD-GUYCJALGSA-N 1 3 361.515 2.361 20 0 FEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000496648512 561495104 /nfs/dbraw/zinc/49/51/04/561495104.db2.gz GXXJGWNEKCVUMC-HKUYNNGSSA-N 1 3 362.518 2.472 20 0 FEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000496648512 561495105 /nfs/dbraw/zinc/49/51/05/561495105.db2.gz GXXJGWNEKCVUMC-HKUYNNGSSA-N 1 3 362.518 2.472 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282117541 551182841 /nfs/dbraw/zinc/18/28/41/551182841.db2.gz JHNWKBSWIXFEDY-IBGZPJMESA-N 1 3 359.514 2.417 20 0 FEADHO CN1CCN(CCCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000498203547 561518380 /nfs/dbraw/zinc/51/83/80/561518380.db2.gz DOIWTBHUAXTUSG-ONTIZHBOSA-N 1 3 372.557 2.389 20 0 FEADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccco1 ZINC000498592589 561529827 /nfs/dbraw/zinc/52/98/27/561529827.db2.gz LSVOEPWJLZGLQO-MPGHIAIKSA-N 1 3 368.547 2.445 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000287536276 552016706 /nfs/dbraw/zinc/01/67/06/552016706.db2.gz IZJDIBKMDIJDGG-HXUWFJFHSA-N 1 3 374.529 2.472 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000288210596 552111122 /nfs/dbraw/zinc/11/11/22/552111122.db2.gz UJPRRKHPCONJBG-KYNGSXCRSA-N 1 3 360.502 2.080 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000288210596 552111124 /nfs/dbraw/zinc/11/11/24/552111124.db2.gz UJPRRKHPCONJBG-KYNGSXCRSA-N 1 3 360.502 2.080 20 0 FEADHO COCCOCc1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000289432335 552320698 /nfs/dbraw/zinc/32/06/98/552320698.db2.gz KVMPGGISHNNPKO-UHFFFAOYSA-N 1 3 363.546 2.307 20 0 FEADHO COCCOCc1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000289432335 552320699 /nfs/dbraw/zinc/32/06/99/552320699.db2.gz KVMPGGISHNNPKO-UHFFFAOYSA-N 1 3 363.546 2.307 20 0 FEADHO CCOc1ccccc1NC(=O)[C@@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000289499954 552331643 /nfs/dbraw/zinc/33/16/43/552331643.db2.gz UBKPUFZLVWPFKP-QGZVFWFLSA-N 1 3 364.534 2.228 20 0 FEADHO Cc1cnn([C@@H]2CCN(C/C=C/C[N@@H+]3CC[C@@H](n4cc(C)cn4)C3)C2)c1 ZINC000289709673 552366039 /nfs/dbraw/zinc/36/60/39/552366039.db2.gz CGKPAFNYOHJNSK-FMEUAVTJSA-N 1 3 354.502 2.446 20 0 FEADHO Cc1cnn([C@@H]2CCN(C/C=C/C[N@H+]3CC[C@@H](n4cc(C)cn4)C3)C2)c1 ZINC000289709673 552366041 /nfs/dbraw/zinc/36/60/41/552366041.db2.gz CGKPAFNYOHJNSK-FMEUAVTJSA-N 1 3 354.502 2.446 20 0 FEADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)NCCC[NH+]1CCCC1 ZINC000500639322 561578483 /nfs/dbraw/zinc/57/84/83/561578483.db2.gz ZUTXYDIJPSMVQR-UHFFFAOYSA-N 1 3 359.518 2.425 20 0 FEADHO COc1ccc(C[C@](C)(O)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000290060256 552421757 /nfs/dbraw/zinc/42/17/57/552421757.db2.gz FOMQCNBCUJHCSB-COCVIAQXSA-N 1 3 350.503 2.316 20 0 FEADHO COc1ccc(C[C@](C)(O)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000290060256 552421759 /nfs/dbraw/zinc/42/17/59/552421759.db2.gz FOMQCNBCUJHCSB-COCVIAQXSA-N 1 3 350.503 2.316 20 0 FEADHO CO[C@H](CN)C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000290101960 552427849 /nfs/dbraw/zinc/42/78/49/552427849.db2.gz KAWXUBWOGLAMHY-HXUWFJFHSA-N 1 3 355.482 2.169 20 0 FEADHO COc1cc(CN2CCC(C)(O)CC2)cc(C[NH+]2CCC(C)(O)CC2)c1 ZINC000292572528 552739263 /nfs/dbraw/zinc/73/92/63/552739263.db2.gz IYQACYRDXDNTQU-UHFFFAOYSA-N 1 3 362.514 2.389 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CN1Cc1ccccc1 ZINC000292593428 552741374 /nfs/dbraw/zinc/74/13/74/552741374.db2.gz MOFNMMXJOBEOSN-SLYNCCJLSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CN1Cc1ccccc1 ZINC000292593428 552741375 /nfs/dbraw/zinc/74/13/75/552741375.db2.gz MOFNMMXJOBEOSN-SLYNCCJLSA-N 1 3 356.514 2.387 20 0 FEADHO COC(=O)c1cc([C@@H](C)N(C)CC2CC[NH+](C[C@H](C)O)CC2)oc1C ZINC000292782629 552758199 /nfs/dbraw/zinc/75/81/99/552758199.db2.gz ZEOYDVYRJPELLW-UONOGXRCSA-N 1 3 352.475 2.460 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000501734335 561604331 /nfs/dbraw/zinc/60/43/31/561604331.db2.gz NVQHOYJZCGWGGL-PMACEKPBSA-N 1 3 356.514 2.361 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000501734335 561604332 /nfs/dbraw/zinc/60/43/32/561604332.db2.gz NVQHOYJZCGWGGL-PMACEKPBSA-N 1 3 356.514 2.361 20 0 FEADHO O=C1[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CCN1Cc1ccccc1 ZINC000294147579 552885602 /nfs/dbraw/zinc/88/56/02/552885602.db2.gz HBGPXBSRWOTSQI-FQEVSTJZSA-N 1 3 350.466 2.441 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000501773986 561605052 /nfs/dbraw/zinc/60/50/52/561605052.db2.gz HMFVWLQJBDCOPX-UXHICEINSA-N 1 3 356.514 2.361 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000501773986 561605053 /nfs/dbraw/zinc/60/50/53/561605053.db2.gz HMFVWLQJBDCOPX-UXHICEINSA-N 1 3 356.514 2.361 20 0 FEADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)CCN3CCN(c4ccccc4)CC3)C2)C1 ZINC000294372974 552901219 /nfs/dbraw/zinc/90/12/19/552901219.db2.gz ZOVAUPNMHHCZKM-QFIPXVFZSA-N 1 3 370.541 2.143 20 0 FEADHO C[N@H+]1CCC[C@]2(CCN(C(=O)CCN3CCN(c4ccccc4)CC3)C2)C1 ZINC000294372974 552901221 /nfs/dbraw/zinc/90/12/21/552901221.db2.gz ZOVAUPNMHHCZKM-QFIPXVFZSA-N 1 3 370.541 2.143 20 0 FEADHO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)CO2 ZINC000296244184 553128720 /nfs/dbraw/zinc/12/87/20/553128720.db2.gz AYQJQZRNQNWSOE-PMACEKPBSA-N 1 3 368.477 2.355 20 0 FEADHO C[C@H]1CCN(C)CCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000503013686 561632321 /nfs/dbraw/zinc/63/23/21/561632321.db2.gz YMPICTRXLZVORA-KRWDZBQOSA-N 1 3 368.591 2.474 20 0 FEADHO C[C@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCN(C2CC2)C1 ZINC000297542483 553306562 /nfs/dbraw/zinc/30/65/62/553306562.db2.gz MSHWHYWVWMWAQP-QGZVFWFLSA-N 1 3 374.529 2.253 20 0 FEADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(OCCO)CCOCC3)CC2)C1 ZINC000503932440 561650224 /nfs/dbraw/zinc/65/02/24/561650224.db2.gz YTGRYSNFDSARIF-HKUYNNGSSA-N 1 3 354.535 2.177 20 0 FEADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CC3(OCCO)CCOCC3)CC2)C1 ZINC000503932440 561650225 /nfs/dbraw/zinc/65/02/25/561650225.db2.gz YTGRYSNFDSARIF-HKUYNNGSSA-N 1 3 354.535 2.177 20 0 FEADHO CCN1CCN(CCCNC(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000299265969 553539521 /nfs/dbraw/zinc/53/95/21/553539521.db2.gz RQMWDOCANPIVQJ-UHFFFAOYSA-N 1 3 360.546 2.286 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000299422676 553560947 /nfs/dbraw/zinc/56/09/47/553560947.db2.gz UPVOSWSPMSFCAW-LMMKCTJWSA-N 1 3 359.514 2.028 20 0 FEADHO C[C@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[NH+](C)C ZINC000299422927 553561184 /nfs/dbraw/zinc/56/11/84/553561184.db2.gz FEWSOUICNRYXSX-OAHLLOKOSA-N 1 3 350.532 2.350 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1c(C)noc1Cl ZINC000505720246 561678435 /nfs/dbraw/zinc/67/84/35/561678435.db2.gz RETZQDWHLQCGMI-OAHLLOKOSA-N 1 3 370.925 2.444 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1c(C)noc1Cl ZINC000505720246 561678436 /nfs/dbraw/zinc/67/84/36/561678436.db2.gz RETZQDWHLQCGMI-OAHLLOKOSA-N 1 3 370.925 2.444 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1COc2ccccc2C1 ZINC000505788110 561680847 /nfs/dbraw/zinc/68/08/47/561680847.db2.gz FXGWXHNZAFETLM-RTBURBONSA-N 1 3 359.514 2.112 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1COc2ccccc2C1 ZINC000505788110 561680848 /nfs/dbraw/zinc/68/08/48/561680848.db2.gz FXGWXHNZAFETLM-RTBURBONSA-N 1 3 359.514 2.112 20 0 FEADHO CCCn1nccc1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000510676205 561842944 /nfs/dbraw/zinc/84/29/44/561842944.db2.gz TZRVGDINTNXPHY-MRXNPFEDSA-N 1 3 350.511 2.173 20 0 FEADHO CCCn1nccc1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000510676205 561842946 /nfs/dbraw/zinc/84/29/46/561842946.db2.gz TZRVGDINTNXPHY-MRXNPFEDSA-N 1 3 350.511 2.173 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)c(C)c2)CC1 ZINC000333145240 554579127 /nfs/dbraw/zinc/57/91/27/554579127.db2.gz LQVYWBFOZMAOHW-UHOSZYNNSA-N 1 3 371.529 2.338 20 0 FEADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000333487551 554617708 /nfs/dbraw/zinc/61/77/08/554617708.db2.gz GJDBFBIWWXWPGH-RWOIVKFCSA-N 1 3 360.546 2.266 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCN1Cc1ccccc1 ZINC000333593955 554626467 /nfs/dbraw/zinc/62/64/67/554626467.db2.gz OTQSNSPKMBGRKK-MTEHYEEQSA-N 1 3 356.514 2.418 20 0 FEADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333815389 554645799 /nfs/dbraw/zinc/64/57/99/554645799.db2.gz GNUKWHIOQVRHDN-HBGVWJBISA-N 1 3 371.525 2.178 20 0 FEADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000333932969 554657462 /nfs/dbraw/zinc/65/74/62/554657462.db2.gz HIODELZPTYLYFU-CVEARBPZSA-N 1 3 354.564 2.117 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000361501931 554922371 /nfs/dbraw/zinc/92/23/71/554922371.db2.gz BPBZEUXVQIACEX-YTQUADARSA-N 1 3 357.498 2.183 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000361501931 554922372 /nfs/dbraw/zinc/92/23/72/554922372.db2.gz BPBZEUXVQIACEX-YTQUADARSA-N 1 3 357.498 2.183 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)C1 ZINC000361703048 554930361 /nfs/dbraw/zinc/93/03/61/554930361.db2.gz YZBHQFPYSKXOJW-ZSYWTGECSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)C1 ZINC000361703048 554930363 /nfs/dbraw/zinc/93/03/63/554930363.db2.gz YZBHQFPYSKXOJW-ZSYWTGECSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H](CC[NH+](C)C)NC(=O)N(C)C1CCN(CCc2ccncc2)CC1 ZINC000362911652 554998410 /nfs/dbraw/zinc/99/84/10/554998410.db2.gz UJTCELKYWQHAFC-QGZVFWFLSA-N 1 3 361.534 2.070 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000362973408 555004209 /nfs/dbraw/zinc/00/42/09/555004209.db2.gz IEAMUZNPFWTGGW-RBUKOAKNSA-N 1 3 366.550 2.003 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000362973408 555004210 /nfs/dbraw/zinc/00/42/10/555004210.db2.gz IEAMUZNPFWTGGW-RBUKOAKNSA-N 1 3 366.550 2.003 20 0 FEADHO COCCCN1CCCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000363842762 555197269 /nfs/dbraw/zinc/19/72/69/555197269.db2.gz CYAPBCDFNWDJKI-GOSISDBHSA-N 1 3 354.539 2.005 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)N[C@H](CO)CN2CCCCC2)cc1)C(C)C ZINC000512384049 561902771 /nfs/dbraw/zinc/90/27/71/561902771.db2.gz JQRBWXKGBBOWKT-FQEVSTJZSA-N 1 3 361.530 2.494 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H](CO)CN2CCCCC2)cc1)C(C)C ZINC000512384049 561902772 /nfs/dbraw/zinc/90/27/72/561902772.db2.gz JQRBWXKGBBOWKT-FQEVSTJZSA-N 1 3 361.530 2.494 20 0 FEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364579884 555344021 /nfs/dbraw/zinc/34/40/21/555344021.db2.gz ZBCAGKKYWDSUOQ-WDSOQIARSA-N 1 3 359.518 2.248 20 0 FEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CCn4ncc(C(N)=O)c4C3)CC2)C1 ZINC000364666222 555368035 /nfs/dbraw/zinc/36/80/35/555368035.db2.gz UUEXNOFDAVWGDQ-RYRKJORJSA-N 1 3 373.545 2.177 20 0 FEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3CCn4ncc(C(N)=O)c4C3)CC2)C1 ZINC000364666222 555368038 /nfs/dbraw/zinc/36/80/38/555368038.db2.gz UUEXNOFDAVWGDQ-RYRKJORJSA-N 1 3 373.545 2.177 20 0 FEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@@H]3CCn4ncc(C(N)=O)c4C3)CC2)C1 ZINC000364665907 555368050 /nfs/dbraw/zinc/36/80/50/555368050.db2.gz UUEXNOFDAVWGDQ-JFIYKMOQSA-N 1 3 373.545 2.177 20 0 FEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3CCn4ncc(C(N)=O)c4C3)CC2)C1 ZINC000364665907 555368051 /nfs/dbraw/zinc/36/80/51/555368051.db2.gz UUEXNOFDAVWGDQ-JFIYKMOQSA-N 1 3 373.545 2.177 20 0 FEADHO C[C@H](CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)C[NH+]1CCCC1 ZINC000364706569 555380090 /nfs/dbraw/zinc/38/00/90/555380090.db2.gz NSHHEZDVLASBCA-NEWSRXKRSA-N 1 3 359.518 2.106 20 0 FEADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000364732688 555388075 /nfs/dbraw/zinc/38/80/75/555388075.db2.gz GUXXNIPUDSFFJV-FGTMMUONSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H]1C[C@H](CNC(=O)NCC2=CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000364848211 555414344 /nfs/dbraw/zinc/41/43/44/555414344.db2.gz BEVWIKOCJVZQIT-YLJYHZDGSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@@H]1C[C@H](CNC(=O)NCC2=CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000364848211 555414349 /nfs/dbraw/zinc/41/43/49/555414349.db2.gz BEVWIKOCJVZQIT-YLJYHZDGSA-N 1 3 356.514 2.458 20 0 FEADHO Cc1ccccc1OCCCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513226625 561930153 /nfs/dbraw/zinc/93/01/53/561930153.db2.gz RBZUFEBPAHWNAZ-OALUTQOASA-N 1 3 359.514 2.344 20 0 FEADHO C[C@@H](CC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)C1CC[NH2+]CC1 ZINC000366325944 555812817 /nfs/dbraw/zinc/81/28/17/555812817.db2.gz QBWAKOINLNBQIW-HKUYNNGSSA-N 1 3 358.530 2.436 20 0 FEADHO CC1CC[NH+](CC2CCN(C(=O)C3(N)Cc4ccccc4C3)CC2)CC1 ZINC000366335999 555814614 /nfs/dbraw/zinc/81/46/14/555814614.db2.gz XSFIYYZEMRQHFJ-UHFFFAOYSA-N 1 3 355.526 2.453 20 0 FEADHO C[N@@H+]1CC[C@H](NCCN2CCN(c3ccc(F)cc3)CC2)[C@@H]2CCC[C@H]21 ZINC000514090685 561959851 /nfs/dbraw/zinc/95/98/51/561959851.db2.gz WEKSRMKHUBJMNS-PCCBWWKXSA-N 1 3 360.521 2.410 20 0 FEADHO C[N@H+]1CC[C@H](NCCN2CCN(c3ccc(F)cc3)CC2)[C@@H]2CCC[C@H]21 ZINC000514090685 561959853 /nfs/dbraw/zinc/95/98/53/561959853.db2.gz WEKSRMKHUBJMNS-PCCBWWKXSA-N 1 3 360.521 2.410 20 0 FEADHO CC[N@H+](CCC1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)CC1)CC(C)C ZINC000514137831 561961340 /nfs/dbraw/zinc/96/13/40/561961340.db2.gz IBRHUCZCBQLWIK-IBGZPJMESA-N 1 3 373.607 2.348 20 0 FEADHO CC[N@@H+](CCC1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)CC1)CC(C)C ZINC000514137831 561961341 /nfs/dbraw/zinc/96/13/41/561961341.db2.gz IBRHUCZCBQLWIK-IBGZPJMESA-N 1 3 373.607 2.348 20 0 FEADHO C[C@H](C(=O)N(C)C1CCCCC1)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367619313 556098415 /nfs/dbraw/zinc/09/84/15/556098415.db2.gz SYHFVMCPHXISDG-XLIONFOSSA-N 1 3 364.578 2.266 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nnc4cc(C)ccn43)CC2)CC1 ZINC000514948247 561988304 /nfs/dbraw/zinc/98/83/04/561988304.db2.gz YHHOPMDWALVGKJ-UHFFFAOYSA-N 1 3 370.501 2.173 20 0 FEADHO C[C@H]1CCC[N@@H+]1C1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000368389800 556294620 /nfs/dbraw/zinc/29/46/20/556294620.db2.gz KQHGRQANJPIWMD-RXVVDRJESA-N 1 3 372.557 2.354 20 0 FEADHO C[C@H]1CCC[N@H+]1C1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000368389800 556294622 /nfs/dbraw/zinc/29/46/22/556294622.db2.gz KQHGRQANJPIWMD-RXVVDRJESA-N 1 3 372.557 2.354 20 0 FEADHO C[N@H+](C[C@@H](O)COCC(F)(F)F)CC1CCN(c2ccncc2)CC1 ZINC000368390564 556294680 /nfs/dbraw/zinc/29/46/80/556294680.db2.gz BBNCRLIVYJCSDU-MRXNPFEDSA-N 1 3 361.408 2.170 20 0 FEADHO C[N@@H+](C[C@@H](O)COCC(F)(F)F)CC1CCN(c2ccncc2)CC1 ZINC000368390564 556294681 /nfs/dbraw/zinc/29/46/81/556294681.db2.gz BBNCRLIVYJCSDU-MRXNPFEDSA-N 1 3 361.408 2.170 20 0 FEADHO Cc1c[nH+]ccc1N1CCC(C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000368431639 556307011 /nfs/dbraw/zinc/30/70/11/556307011.db2.gz FLTGROTWMMPTKS-GOSISDBHSA-N 1 3 374.529 2.224 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H]3CCC[C@H](N)C3)CC2)cc1 ZINC000515498301 562013241 /nfs/dbraw/zinc/01/32/41/562013241.db2.gz FZYRFFPTNKDHJS-RDJZCZTQSA-N 1 3 365.543 2.309 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC(N[C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000515498301 562013242 /nfs/dbraw/zinc/01/32/42/562013242.db2.gz FZYRFFPTNKDHJS-RDJZCZTQSA-N 1 3 365.543 2.309 20 0 FEADHO C[C@H](CNC(=O)N(C)C1CCN(c2ccncc2)CC1)C[NH+]1CCCC1 ZINC000368956980 556458906 /nfs/dbraw/zinc/45/89/06/556458906.db2.gz WQMGAPVHLFKXCE-QGZVFWFLSA-N 1 3 359.518 2.424 20 0 FEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000369028232 556481131 /nfs/dbraw/zinc/48/11/31/556481131.db2.gz PIJMMSOBWKPLAR-WOJBJXKFSA-N 1 3 374.529 2.189 20 0 FEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000369028232 556481135 /nfs/dbraw/zinc/48/11/35/556481135.db2.gz PIJMMSOBWKPLAR-WOJBJXKFSA-N 1 3 374.529 2.189 20 0 FEADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369199991 556533806 /nfs/dbraw/zinc/53/38/06/556533806.db2.gz CCEPVPBGUUHIML-MJGOQNOKSA-N 1 3 361.534 2.323 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cccnc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000369222434 556540038 /nfs/dbraw/zinc/54/00/38/556540038.db2.gz XRPQIYRUOLPDAY-GOSISDBHSA-N 1 3 371.529 2.220 20 0 FEADHO c1ccc(Cc2nnc3n2C[C@H](N[C@@H]2CC[N@@H+]4CCC[C@@H]4C2)CC3)cc1 ZINC000369239672 556545456 /nfs/dbraw/zinc/54/54/56/556545456.db2.gz UTECLIQDAYJQOV-GUDVDZBRSA-N 1 3 351.498 2.400 20 0 FEADHO c1ccc(Cc2nnc3n2C[C@H](N[C@@H]2CC[N@H+]4CCC[C@@H]4C2)CC3)cc1 ZINC000369239672 556545458 /nfs/dbraw/zinc/54/54/58/556545458.db2.gz UTECLIQDAYJQOV-GUDVDZBRSA-N 1 3 351.498 2.400 20 0 FEADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000369478985 556607792 /nfs/dbraw/zinc/60/77/92/556607792.db2.gz QCRBNYOVGQBURV-IBGZPJMESA-N 1 3 366.550 2.051 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)N2CCCN(C3CCOCC3)CC2)CC1 ZINC000369522985 556619753 /nfs/dbraw/zinc/61/97/53/556619753.db2.gz RXROMRCRROAXGU-UHFFFAOYSA-N 1 3 366.550 2.147 20 0 FEADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000369956684 556741147 /nfs/dbraw/zinc/74/11/47/556741147.db2.gz CZKHVQFCGBIUOU-RMVXJAJNSA-N 1 3 362.514 2.214 20 0 FEADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000369956684 556741150 /nfs/dbraw/zinc/74/11/50/556741150.db2.gz CZKHVQFCGBIUOU-RMVXJAJNSA-N 1 3 362.514 2.214 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CCCN3CCCC3)CC2)cc1 ZINC000370577748 556912985 /nfs/dbraw/zinc/91/29/85/556912985.db2.gz LXJOEZPWQIVTSX-UHFFFAOYSA-N 1 3 365.543 2.224 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000370736162 556953427 /nfs/dbraw/zinc/95/34/27/556953427.db2.gz BFXZEDQWLYBAEO-RBUKOAKNSA-N 1 3 372.513 2.210 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000370736162 556953428 /nfs/dbraw/zinc/95/34/28/556953428.db2.gz BFXZEDQWLYBAEO-RBUKOAKNSA-N 1 3 372.513 2.210 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)[C@H](N)c1ccccc1 ZINC000370772603 556963801 /nfs/dbraw/zinc/96/38/01/556963801.db2.gz LKYKFMKMPBIESE-CJGGRQNCSA-N 1 3 359.514 2.328 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)[C@H](N)c1ccccc1 ZINC000370772603 556963803 /nfs/dbraw/zinc/96/38/03/556963803.db2.gz LKYKFMKMPBIESE-CJGGRQNCSA-N 1 3 359.514 2.328 20 0 FEADHO C[NH+]1CCC(n2ccc(=NC(=O)NC[C@H]3CCN3C3CCCC3)[nH]2)CC1 ZINC000626542296 557107611 /nfs/dbraw/zinc/10/76/11/557107611.db2.gz DLDITYAMPGALGP-QGZVFWFLSA-N 1 3 360.506 2.288 20 0 FEADHO C[C@@H]1CN(CCC(=O)Nc2ccccc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371301055 557137157 /nfs/dbraw/zinc/13/71/57/557137157.db2.gz CXBKIIHVULVMMR-APWZRJJASA-N 1 3 362.493 2.112 20 0 FEADHO CN(c1ccccc1CN1CCC2(CNC(=O)C2)CC1)C1CC[NH+](C)CC1 ZINC000371332008 557148928 /nfs/dbraw/zinc/14/89/28/557148928.db2.gz MIYBXFQIENLGOZ-UHFFFAOYSA-N 1 3 370.541 2.319 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000517425338 562090128 /nfs/dbraw/zinc/09/01/28/562090128.db2.gz ZOMDJODIFQVGSN-MRXNPFEDSA-N 1 3 366.550 2.192 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000517425338 562090129 /nfs/dbraw/zinc/09/01/29/562090129.db2.gz ZOMDJODIFQVGSN-MRXNPFEDSA-N 1 3 366.550 2.192 20 0 FEADHO C[NH+]1CCC(C)(CNC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000371580778 557229264 /nfs/dbraw/zinc/22/92/64/557229264.db2.gz OVZKWSNIUUTVEN-LJQANCHMSA-N 1 3 373.545 2.325 20 0 FEADHO CN1CCC[C@@H](CNC(=O)COC2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000517932882 562101038 /nfs/dbraw/zinc/10/10/38/562101038.db2.gz TUTBZYTYNSBTOE-KBXCAEBGSA-N 1 3 351.516 2.016 20 0 FEADHO CN1CCN(CC2(C)CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC000371779098 557291497 /nfs/dbraw/zinc/29/14/97/557291497.db2.gz WVFVXJHFWJLRBK-UHFFFAOYSA-N 1 3 351.457 2.305 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000372464008 557477951 /nfs/dbraw/zinc/47/79/51/557477951.db2.gz OPFALBKMGKHEJH-WOCWXWTJSA-N 1 3 351.535 2.147 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000372464008 557477952 /nfs/dbraw/zinc/47/79/52/557477952.db2.gz OPFALBKMGKHEJH-WOCWXWTJSA-N 1 3 351.535 2.147 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000372465462 557478069 /nfs/dbraw/zinc/47/80/69/557478069.db2.gz VSTGSCAJEFWXLQ-PDOICOKGSA-N 1 3 351.535 2.290 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000372465462 557478070 /nfs/dbraw/zinc/47/80/70/557478070.db2.gz VSTGSCAJEFWXLQ-PDOICOKGSA-N 1 3 351.535 2.290 20 0 FEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000372542570 557498444 /nfs/dbraw/zinc/49/84/44/557498444.db2.gz CYYGETHQXINXTC-IHPCNDPISA-N 1 3 373.545 2.494 20 0 FEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000372542570 557498446 /nfs/dbraw/zinc/49/84/46/557498446.db2.gz CYYGETHQXINXTC-IHPCNDPISA-N 1 3 373.545 2.494 20 0 FEADHO CCN1CCC([NH+]2CCC(C(=O)N3[C@@H](C)CN(CC)C[C@@H]3C)CC2)CC1 ZINC000519606924 562136816 /nfs/dbraw/zinc/13/68/16/562136816.db2.gz GSKQEJCJVLCQMM-ROUUACIJSA-N 1 3 364.578 2.124 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCCO1 ZINC000373038680 557614711 /nfs/dbraw/zinc/61/47/11/557614711.db2.gz VYQYVICNECMRGY-MOPGFXCFSA-N 1 3 366.550 2.147 20 0 FEADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000373453618 557696606 /nfs/dbraw/zinc/69/66/06/557696606.db2.gz OUNKAMSRRPPARJ-GUDVDZBRSA-N 1 3 365.562 2.455 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000373899746 557783152 /nfs/dbraw/zinc/78/31/52/557783152.db2.gz YIZUYKMSTQULHC-ROUUACIJSA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NCCC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000521050609 562168363 /nfs/dbraw/zinc/16/83/63/562168363.db2.gz VVIAWYOXSHNEDT-IBGZPJMESA-N 1 3 358.530 2.479 20 0 FEADHO C[C@H](NC(=O)N1CCN2CCC1CC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375201787 557991355 /nfs/dbraw/zinc/99/13/55/557991355.db2.gz SFRYPHRYWQYYRT-HKUYNNGSSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@H](NC(=O)N1CCN2CCC1CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000375201787 557991357 /nfs/dbraw/zinc/99/13/57/557991357.db2.gz SFRYPHRYWQYYRT-HKUYNNGSSA-N 1 3 356.514 2.387 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCCCN2)cc1 ZINC000375287469 558004500 /nfs/dbraw/zinc/00/45/00/558004500.db2.gz OHPSWAVJWXOQKF-SFHVURJKSA-N 1 3 360.502 2.229 20 0 FEADHO COc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c(C)c1OC ZINC000521512665 562177871 /nfs/dbraw/zinc/17/78/71/562177871.db2.gz ZKTQNAMGPFKEAN-APWZRJJASA-N 1 3 361.530 2.470 20 0 FEADHO COc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c(C)c1OC ZINC000521512665 562177872 /nfs/dbraw/zinc/17/78/72/562177872.db2.gz ZKTQNAMGPFKEAN-APWZRJJASA-N 1 3 361.530 2.470 20 0 FEADHO C[C@@H](CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C[NH+](C)C ZINC000521416245 562175946 /nfs/dbraw/zinc/17/59/46/562175946.db2.gz KXQPYGGCGUZBJX-RDJZCZTQSA-N 1 3 353.457 2.458 20 0 FEADHO CN1CC[C@@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1cccnc1 ZINC000376238222 558145980 /nfs/dbraw/zinc/14/59/80/558145980.db2.gz AJSXCFGZCCYVKI-LPHOPBHVSA-N 1 3 357.502 2.000 20 0 FEADHO CN1CCC([NH+]2CCC(NC(=O)Nc3cccc4c3CCNC4)CC2)CC1 ZINC000521984606 562188061 /nfs/dbraw/zinc/18/80/61/562188061.db2.gz YUJCVDCABZFBKF-UHFFFAOYSA-N 1 3 371.529 2.012 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc2)CC1 ZINC000522059971 562190650 /nfs/dbraw/zinc/19/06/50/562190650.db2.gz DWQSALLEEKKMEN-INIZCTEOSA-N 1 3 372.435 2.227 20 0 FEADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)N2CCCC2)c1 ZINC000522306300 562196577 /nfs/dbraw/zinc/19/65/77/562196577.db2.gz HAGGRUONHQLFCH-XLIONFOSSA-N 1 3 372.513 2.368 20 0 FEADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)N2CCCC2)c1 ZINC000522306300 562196578 /nfs/dbraw/zinc/19/65/78/562196578.db2.gz HAGGRUONHQLFCH-XLIONFOSSA-N 1 3 372.513 2.368 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCCN1C ZINC000522433955 562198412 /nfs/dbraw/zinc/19/84/12/562198412.db2.gz NXNHBTWTYRMECJ-OALUTQOASA-N 1 3 359.518 2.172 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCCN1C ZINC000522433955 562198413 /nfs/dbraw/zinc/19/84/13/562198413.db2.gz NXNHBTWTYRMECJ-OALUTQOASA-N 1 3 359.518 2.172 20 0 FEADHO CN(Cc1cnc(N2CCOCC2)s1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377692362 558398835 /nfs/dbraw/zinc/39/88/35/558398835.db2.gz FAHKGKKJGZTFDM-UHFFFAOYSA-N 1 3 373.526 2.476 20 0 FEADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000377766293 558415668 /nfs/dbraw/zinc/41/56/68/558415668.db2.gz ZJNNPSYLEAIQTC-AVAKVYKDSA-N 1 3 366.550 2.049 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)[C@]1(CCOC)CC[NH2+]C1)c1ccsc1 ZINC000378208542 558503079 /nfs/dbraw/zinc/50/30/79/558503079.db2.gz HLGHCTPSSPPUHO-WMZOPIPTSA-N 1 3 353.532 2.263 20 0 FEADHO C[C@H]1CN(CCC(=O)Nc2cccc(F)c2)CC[N@@H+]1C1CCN(C)CC1 ZINC000378373564 558542772 /nfs/dbraw/zinc/54/27/72/558542772.db2.gz XOKNDEVIDGSGPL-INIZCTEOSA-N 1 3 362.493 2.255 20 0 FEADHO C[C@H]1CN(CCC(=O)Nc2cccc(F)c2)CC[N@H+]1C1CCN(C)CC1 ZINC000378373564 558542776 /nfs/dbraw/zinc/54/27/76/558542776.db2.gz XOKNDEVIDGSGPL-INIZCTEOSA-N 1 3 362.493 2.255 20 0 FEADHO C[C@H]1CN(CCC(=O)Nc2cccc(F)c2)CCN1C1CC[NH+](C)CC1 ZINC000378373564 558542779 /nfs/dbraw/zinc/54/27/79/558542779.db2.gz XOKNDEVIDGSGPL-INIZCTEOSA-N 1 3 362.493 2.255 20 0 FEADHO CC[NH+]1CCC(NC[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000387387719 558607564 /nfs/dbraw/zinc/60/75/64/558607564.db2.gz IUGCZZACTYWDKA-OAHLLOKOSA-N 1 3 357.292 2.263 20 0 FEADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000391027041 558613029 /nfs/dbraw/zinc/61/30/29/558613029.db2.gz SXSPOGBZGRDBFL-WOZUAGRISA-N 1 3 371.525 2.314 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)ccc1CN(C)C ZINC000411123357 558840642 /nfs/dbraw/zinc/84/06/42/558840642.db2.gz DHQOBSNHUCDSIZ-UHFFFAOYSA-N 1 3 374.529 2.376 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2ccccc2-n2cccn2)CC1 ZINC000411457967 558898300 /nfs/dbraw/zinc/89/83/00/558898300.db2.gz IIFORTOSMJTUFR-MRXNPFEDSA-N 1 3 355.486 2.123 20 0 FEADHO CC1(C)CCCN(CCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000412287137 559025025 /nfs/dbraw/zinc/02/50/25/559025025.db2.gz DIHVDHLCORFOQB-KRWDZBQOSA-N 1 3 353.576 2.442 20 0 FEADHO COc1cc2[nH+]ccc(NC[C@H](C(C)C)N3CCN(C)CC3)c2cc1OC ZINC000413036536 559071410 /nfs/dbraw/zinc/07/14/10/559071410.db2.gz DSOUWZQCAKCJDD-LJQANCHMSA-N 1 3 372.513 2.358 20 0 FEADHO CCN1CCN([C@@H](C)CNc2cc[nH+]c3cc(OC)c(OC)cc23)CC1 ZINC000413052069 559072967 /nfs/dbraw/zinc/07/29/67/559072967.db2.gz GXJVPGWKGKNYCC-HNNXBMFYSA-N 1 3 358.486 2.112 20 0 FEADHO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414180462 559151627 /nfs/dbraw/zinc/15/16/27/559151627.db2.gz BDUDWUNCWDHSLT-UYAOXDASSA-N 1 3 361.530 2.149 20 0 FEADHO COc1ccc2c(c1)[C@H]([NH2+]CC1(N3CCOCC3)CCN(C)CC1)CCC2 ZINC000414183471 559151897 /nfs/dbraw/zinc/15/18/97/559151897.db2.gz DXPJZUXTKMEDCF-OAQYLSRUSA-N 1 3 373.541 2.459 20 0 FEADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc2c(c1)COC2 ZINC000414189438 559152168 /nfs/dbraw/zinc/15/21/68/559152168.db2.gz JUFFCSPZOSYCEV-QGZVFWFLSA-N 1 3 359.514 2.164 20 0 FEADHO CCCCO[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1(C)C ZINC000414197642 559152650 /nfs/dbraw/zinc/15/26/50/559152650.db2.gz PRQFZYGOGUWIRL-MOPGFXCFSA-N 1 3 367.578 2.356 20 0 FEADHO C[C@H](CCn1cccn1)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414321847 559156050 /nfs/dbraw/zinc/15/60/50/559156050.db2.gz FVYHUBITNQCDHC-QGZVFWFLSA-N 1 3 369.513 2.149 20 0 FEADHO CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414694420 559180379 /nfs/dbraw/zinc/18/03/79/559180379.db2.gz SSMRRFLCZVCMTM-IRFCIJBXSA-N 1 3 372.557 2.341 20 0 FEADHO CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414694420 559180380 /nfs/dbraw/zinc/18/03/80/559180380.db2.gz SSMRRFLCZVCMTM-IRFCIJBXSA-N 1 3 372.557 2.341 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000414709536 559181344 /nfs/dbraw/zinc/18/13/44/559181344.db2.gz REQVMKXCAAQEFA-UHFFFAOYSA-N 1 3 360.502 2.115 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000414709536 559181345 /nfs/dbraw/zinc/18/13/45/559181345.db2.gz REQVMKXCAAQEFA-UHFFFAOYSA-N 1 3 360.502 2.115 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[C@H](C[NH3+])C3)c(C)c2)CC1 ZINC000414755223 559185202 /nfs/dbraw/zinc/18/52/02/559185202.db2.gz SYTBYJNLOPWNHG-IRXDYDNUSA-N 1 3 359.518 2.386 20 0 FEADHO c1[nH]nc(-c2ccc3c(c2)OCCO3)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414763788 559186182 /nfs/dbraw/zinc/18/61/82/559186182.db2.gz CLAVMVDDEOHFRG-IYBDPMFKSA-N 1 3 354.454 2.279 20 0 FEADHO COc1cccc(C2(F)CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)c1 ZINC000414768657 559186495 /nfs/dbraw/zinc/18/64/95/559186495.db2.gz VKPLCVYKYWVNAL-INIZCTEOSA-N 1 3 363.477 2.153 20 0 FEADHO COc1ccc(-c2n[nH]cc2CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414796140 559188100 /nfs/dbraw/zinc/18/81/00/559188100.db2.gz XGUIFWWQIGAOOP-KRWDZBQOSA-N 1 3 356.470 2.273 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)cc1 ZINC000414856608 559191187 /nfs/dbraw/zinc/19/11/87/559191187.db2.gz ONTRTANMBKUZQU-MAUKXSAKSA-N 1 3 358.486 2.122 20 0 FEADHO FC(F)(F)c1cc(Br)ccc1CNCCN1CC[NH2+]CC1 ZINC000414866557 559191763 /nfs/dbraw/zinc/19/17/63/559191763.db2.gz FMMPUVNNGJGMNZ-UHFFFAOYSA-N 1 3 366.225 2.463 20 0 FEADHO Cc1ccccc1NC(=O)C[C@@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414971377 559197947 /nfs/dbraw/zinc/19/79/47/559197947.db2.gz IHICZYGYYOHQJO-GDBMZVCRSA-N 1 3 372.435 2.138 20 0 FEADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CNCCCO1 ZINC000415044002 559202143 /nfs/dbraw/zinc/20/21/43/559202143.db2.gz RVRJNKNHRUFGDY-YOEHRIQHSA-N 1 3 353.894 2.045 20 0 FEADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H]1CCCCNC1 ZINC000415065965 559203499 /nfs/dbraw/zinc/20/34/99/559203499.db2.gz IBSVDKJFHBPSBX-KBXCAEBGSA-N 1 3 358.486 2.484 20 0 FEADHO CN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)C1CC[NH2+]CC1 ZINC000415068551 559203705 /nfs/dbraw/zinc/20/37/05/559203705.db2.gz NDHPZFLIOGQOOT-UHFFFAOYSA-N 1 3 362.543 2.494 20 0 FEADHO Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CCC(O)(C[NH3+])CC1 ZINC000415144796 559208647 /nfs/dbraw/zinc/20/86/47/559208647.db2.gz VGJXNFAKMMQVAK-UHFFFAOYSA-N 1 3 362.905 2.487 20 0 FEADHO CCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415226785 559216441 /nfs/dbraw/zinc/21/64/41/559216441.db2.gz WENZERMMFUUHOB-UHFFFAOYSA-N 1 3 360.502 2.069 20 0 FEADHO C[NH2+]Cc1cccc(NC(=O)Nc2ccc(OC[C@H](O)CN(C)C)cc2)c1 ZINC000415916415 559282611 /nfs/dbraw/zinc/28/26/11/559282611.db2.gz HJCOFYUEKNXPEL-GOSISDBHSA-N 1 3 372.469 2.351 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000415939118 559283539 /nfs/dbraw/zinc/28/35/39/559283539.db2.gz QHGPXHOOGQSQAI-UHFFFAOYSA-N 1 3 364.490 2.035 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)NCc2ccncc2OCCN(C)C)c1 ZINC000415938981 559283591 /nfs/dbraw/zinc/28/35/91/559283591.db2.gz YMXKEJGRRMNMJO-UHFFFAOYSA-N 1 3 371.485 2.453 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415966333 559285616 /nfs/dbraw/zinc/28/56/16/559285616.db2.gz GJOMEMMYCNDWEJ-HNNXBMFYSA-N 1 3 374.407 2.396 20 0 FEADHO [NH3+]CC[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000415997442 559288224 /nfs/dbraw/zinc/28/82/24/559288224.db2.gz ROXZFXGUGQPSIA-HNNXBMFYSA-N 1 3 358.408 2.184 20 0 FEADHO CCc1ccc([C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000415999341 559288291 /nfs/dbraw/zinc/28/82/91/559288291.db2.gz VXRQBDJZAUUZCH-GJZGRUSLSA-N 1 3 360.424 2.431 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416006705 559288900 /nfs/dbraw/zinc/28/89/00/559288900.db2.gz LRVIMEQIUUNTJG-LBPRGKRZSA-N 1 3 352.426 2.101 20 0 FEADHO CCN1CCN(CC(C)(C)NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416249272 559301095 /nfs/dbraw/zinc/30/10/95/559301095.db2.gz WTAAICLWEWPCDQ-LJQANCHMSA-N 1 3 360.546 2.212 20 0 FEADHO COCC1(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[NH2+]CC1 ZINC000416785394 559332661 /nfs/dbraw/zinc/33/26/61/559332661.db2.gz KUKSDWCNWKXQDN-IBGZPJMESA-N 1 3 374.529 2.139 20 0 FEADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000416917730 559338151 /nfs/dbraw/zinc/33/81/51/559338151.db2.gz ILGBSBICMHNPFR-QFBILLFUSA-N 1 3 362.518 2.377 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1cccc(OC)c1 ZINC000416924085 559338689 /nfs/dbraw/zinc/33/86/89/559338689.db2.gz OLWNIHGYKGSJGQ-ZYSHUDEJSA-N 1 3 362.518 2.375 20 0 FEADHO C[C@H]([NH3+])C1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000416980446 559341847 /nfs/dbraw/zinc/34/18/47/559341847.db2.gz UGJXHEHYLWKHIT-KRWDZBQOSA-N 1 3 358.530 2.462 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000417000669 559343164 /nfs/dbraw/zinc/34/31/64/559343164.db2.gz YXZNVJHRIRAKHL-SJORKVTESA-N 1 3 362.518 2.299 20 0 FEADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000417148582 559350053 /nfs/dbraw/zinc/35/00/53/559350053.db2.gz HCRJZTALLCLJAC-OALUTQOASA-N 1 3 373.545 2.015 20 0 FEADHO C[C@H]1CCC[C@@](CNC(=O)NCCCNCc2cccnc2)([NH+](C)C)C1 ZINC000417218952 559353628 /nfs/dbraw/zinc/35/36/28/559353628.db2.gz UTLVBOMZHHVNTO-FXAWDEMLSA-N 1 3 361.534 2.371 20 0 FEADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417314086 559357245 /nfs/dbraw/zinc/35/72/45/559357245.db2.gz YBXRCSKOMJUTEC-AQNXPRMDSA-N 1 3 356.514 2.292 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)cc1 ZINC000417324358 559357639 /nfs/dbraw/zinc/35/76/39/559357639.db2.gz CMMWMJHYJYATRK-NRFANRHFSA-N 1 3 374.529 2.288 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3CC[C@H]([NH3+])[C@@H]3C)CC2)cc1 ZINC000417331470 559357872 /nfs/dbraw/zinc/35/78/72/559357872.db2.gz MDRXZOUVZHJFGX-KXBFYZLASA-N 1 3 360.502 2.038 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)CC2)cc1 ZINC000417338103 559358164 /nfs/dbraw/zinc/35/81/64/559358164.db2.gz YBKMAVJWIPIOCV-QFBILLFUSA-N 1 3 374.529 2.286 20 0 FEADHO COC[C@]1(CNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CCC[NH2+]1 ZINC000417351052 559358755 /nfs/dbraw/zinc/35/87/55/559358755.db2.gz BQRCISZARCBOSJ-PZJWPPBQSA-N 1 3 374.529 2.200 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000417367069 559359619 /nfs/dbraw/zinc/35/96/19/559359619.db2.gz PHUAVQLNWYEORC-SFHVURJKSA-N 1 3 362.518 2.204 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000417516815 559365761 /nfs/dbraw/zinc/36/57/61/559365761.db2.gz ORNIYILHPABVRK-SCTDSRPQSA-N 1 3 362.518 2.075 20 0 FEADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000417547054 559366507 /nfs/dbraw/zinc/36/65/07/559366507.db2.gz GKFRWNFZROPVJY-OXQOHEQNSA-N 1 3 374.529 2.055 20 0 FEADHO CN(CC(C)(C)C[NH3+])C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417620230 559369360 /nfs/dbraw/zinc/36/93/60/559369360.db2.gz CTBKONRWWDTJIS-UHFFFAOYSA-N 1 3 356.580 2.364 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](N)c2ccccc2)[C@H](C)C1 ZINC000417666697 559371427 /nfs/dbraw/zinc/37/14/27/559371427.db2.gz DTDGARFHTPDHSW-NEWSRXKRSA-N 1 3 362.518 2.123 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H](N)c2ccccc2)[C@H](C)C1 ZINC000417666697 559371428 /nfs/dbraw/zinc/37/14/28/559371428.db2.gz DTDGARFHTPDHSW-NEWSRXKRSA-N 1 3 362.518 2.123 20 0 FEADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417676163 559371862 /nfs/dbraw/zinc/37/18/62/559371862.db2.gz CUFDMKVPRJNSDJ-RBUKOAKNSA-N 1 3 358.530 2.496 20 0 FEADHO COC[C@]1(CNC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CCC[NH2+]1 ZINC000417689548 559372674 /nfs/dbraw/zinc/37/26/74/559372674.db2.gz KKAQPUMSXBPITN-DYESRHJHSA-N 1 3 374.529 2.280 20 0 FEADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417795221 559376623 /nfs/dbraw/zinc/37/66/23/559376623.db2.gz OBFUMQCCKSHYDT-ICSRJNTNSA-N 1 3 356.514 2.437 20 0 FEADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000417795221 559376624 /nfs/dbraw/zinc/37/66/24/559376624.db2.gz OBFUMQCCKSHYDT-ICSRJNTNSA-N 1 3 356.514 2.437 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000417827658 559378103 /nfs/dbraw/zinc/37/81/03/559378103.db2.gz DOOYQXWJDSOBSN-RSPOEFSDSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@]1(CNC(=O)N[C@@H](CC[NH3+])C(F)F)CCCN1Cc1ccccc1 ZINC000418035259 559387354 /nfs/dbraw/zinc/38/73/54/559387354.db2.gz AEIDGAGIIWRXEJ-MAUKXSAKSA-N 1 3 354.445 2.323 20 0 FEADHO CCC([NH3+])(CC)CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418070700 559388953 /nfs/dbraw/zinc/38/89/53/559388953.db2.gz HHJISWLKWHHRSQ-SFHVURJKSA-N 1 3 362.518 2.094 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N(CCC[NH3+])CC2CCCC2)CCCO1 ZINC000418109043 559390355 /nfs/dbraw/zinc/39/03/55/559390355.db2.gz CERJQQJMEXHHPJ-KRWDZBQOSA-N 1 3 354.539 2.038 20 0 FEADHO CCc1ccccc1[C@H](N)CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418115453 559390623 /nfs/dbraw/zinc/39/06/23/559390623.db2.gz OQOWKGCISMSKMZ-VQIMIIECSA-N 1 3 362.518 2.049 20 0 FEADHO CCc1ccccc1[C@H](N)CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418115453 559390624 /nfs/dbraw/zinc/39/06/24/559390624.db2.gz OQOWKGCISMSKMZ-VQIMIIECSA-N 1 3 362.518 2.049 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000418149094 559391941 /nfs/dbraw/zinc/39/19/41/559391941.db2.gz RQICXDWBRBMNDG-VAMGGRTRSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418159281 559392314 /nfs/dbraw/zinc/39/23/14/559392314.db2.gz DDAXLEMVJQLPIP-RDJZCZTQSA-N 1 3 360.502 2.038 20 0 FEADHO CC[NH2+][C@H](C)CNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418209035 559394080 /nfs/dbraw/zinc/39/40/80/559394080.db2.gz RBLKUOUXRIQLDD-QAPCUYQASA-N 1 3 350.507 2.374 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)N(C)C)cc1 ZINC000418226773 559394537 /nfs/dbraw/zinc/39/45/37/559394537.db2.gz BHEMOEFZPBURJG-UONOGXRCSA-N 1 3 360.474 2.293 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CCC(C[NH3+])CC2)N(C)C)cc1 ZINC000418231264 559394665 /nfs/dbraw/zinc/39/46/65/559394665.db2.gz KWDMTBNUWOOBIK-KRWDZBQOSA-N 1 3 350.532 2.392 20 0 FEADHO O=C(NCCC[NH2+]C1CC1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000418287542 559396456 /nfs/dbraw/zinc/39/64/56/559396456.db2.gz KNRFFGXXJOAGGC-RTBURBONSA-N 1 3 356.514 2.292 20 0 FEADHO CCc1ccccc1[C@H](N)CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418333871 559397810 /nfs/dbraw/zinc/39/78/10/559397810.db2.gz VVVNZKNWVLDCDK-LJQANCHMSA-N 1 3 355.486 2.123 20 0 FEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000418352686 559398657 /nfs/dbraw/zinc/39/86/57/559398657.db2.gz MZVRANAUPCVMPE-RTBURBONSA-N 1 3 374.529 2.207 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000418426041 559401054 /nfs/dbraw/zinc/40/10/54/559401054.db2.gz JCESMABLTHEVPY-RTBURBONSA-N 1 3 356.470 2.297 20 0 FEADHO N[C@@H](CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)c1ccccc1 ZINC000418448755 559402128 /nfs/dbraw/zinc/40/21/28/559402128.db2.gz JPTQLYKOJMKHPL-QYZOEREBSA-N 1 3 356.445 2.352 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N2CCCN(CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000418616725 559408067 /nfs/dbraw/zinc/40/80/67/559408067.db2.gz YWIKGKMURXBSPD-AZUAARDMSA-N 1 3 358.530 2.477 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000418631382 559408777 /nfs/dbraw/zinc/40/87/77/559408777.db2.gz AXLDWQGDHIWLPE-ZWKOTPCHSA-N 1 3 362.518 2.375 20 0 FEADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@@H](C)C1 ZINC000418680965 559411076 /nfs/dbraw/zinc/41/10/76/559411076.db2.gz GBHSICSXUXWBGD-ZRSLWSEBSA-N 1 3 356.514 2.114 20 0 FEADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418689108 559411315 /nfs/dbraw/zinc/41/13/15/559411315.db2.gz UZEIDLJMUQEAOX-SLFFLAALSA-N 1 3 352.482 2.304 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000418745361 559413607 /nfs/dbraw/zinc/41/36/07/559413607.db2.gz GQIFZFMBABYOQJ-BZUAXINKSA-N 1 3 358.477 2.280 20 0 FEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000418745361 559413608 /nfs/dbraw/zinc/41/36/08/559413608.db2.gz GQIFZFMBABYOQJ-BZUAXINKSA-N 1 3 358.477 2.280 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418797342 559416376 /nfs/dbraw/zinc/41/63/76/559416376.db2.gz UVMNESDGRZRLFY-HIFRSBDPSA-N 1 3 354.445 2.165 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1COCc2ccccc21 ZINC000419553796 559447568 /nfs/dbraw/zinc/44/75/68/559447568.db2.gz GMWQPVPUKLOUDZ-UYAOXDASSA-N 1 3 374.529 2.315 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1COCc2ccccc21 ZINC000419553796 559447569 /nfs/dbraw/zinc/44/75/69/559447569.db2.gz GMWQPVPUKLOUDZ-UYAOXDASSA-N 1 3 374.529 2.315 20 0 FEADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000420312478 559479948 /nfs/dbraw/zinc/47/99/48/559479948.db2.gz HTEJHTVVQKYBKC-IRXDYDNUSA-N 1 3 355.486 2.155 20 0 FEADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000420312478 559479949 /nfs/dbraw/zinc/47/99/49/559479949.db2.gz HTEJHTVVQKYBKC-IRXDYDNUSA-N 1 3 355.486 2.155 20 0 FEADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000420312478 559479950 /nfs/dbraw/zinc/47/99/50/559479950.db2.gz HTEJHTVVQKYBKC-IRXDYDNUSA-N 1 3 355.486 2.155 20 0 FEADHO CC(C)Oc1cccc(CNC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420325490 559480485 /nfs/dbraw/zinc/48/04/85/559480485.db2.gz IMXTYWFSZUHQIN-RBUKOAKNSA-N 1 3 359.514 2.412 20 0 FEADHO CCCOCc1ccccc1CNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327036 559480708 /nfs/dbraw/zinc/48/07/08/559480708.db2.gz COTIZPAEHDQKCC-KDURUIRLSA-N 1 3 359.514 2.161 20 0 FEADHO CCCOc1cccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420334224 559481442 /nfs/dbraw/zinc/48/14/42/559481442.db2.gz UACLJSURCJCJDJ-RTBURBONSA-N 1 3 359.514 2.413 20 0 FEADHO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346507 559482265 /nfs/dbraw/zinc/48/22/65/559482265.db2.gz YMWPUZKPSLICKU-VXIBKDFQSA-N 1 3 357.498 2.336 20 0 FEADHO CCN1CCC([N@@H+]2CCCN([C@H](C)C(=O)NCc3ccccc3)CC2)CC1 ZINC000420985733 559517552 /nfs/dbraw/zinc/51/75/52/559517552.db2.gz WPVGYXWHIAWVRC-LJQANCHMSA-N 1 3 372.557 2.183 20 0 FEADHO CCN1CCC([N@H+]2CCCN([C@H](C)C(=O)NCc3ccccc3)CC2)CC1 ZINC000420985733 559517553 /nfs/dbraw/zinc/51/75/53/559517553.db2.gz WPVGYXWHIAWVRC-LJQANCHMSA-N 1 3 372.557 2.183 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N(C(C)C)C(C)C)CC2)CC1 ZINC000421016903 559519787 /nfs/dbraw/zinc/51/97/87/559519787.db2.gz VGCXWLIQXZFIMI-UHFFFAOYSA-N 1 3 352.567 2.124 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)N(C(C)C)C(C)C)CC2)CC1 ZINC000421016903 559519788 /nfs/dbraw/zinc/51/97/88/559519788.db2.gz VGCXWLIQXZFIMI-UHFFFAOYSA-N 1 3 352.567 2.124 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N=c1cc(C)n(C(C)C)[nH]1 ZINC000421169709 559528321 /nfs/dbraw/zinc/52/83/21/559528321.db2.gz OZIDOIYEIOVBEY-QGZVFWFLSA-N 1 3 364.538 2.652 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N=c1cc(C)n(C(C)C)[nH]1 ZINC000421169709 559528322 /nfs/dbraw/zinc/52/83/22/559528322.db2.gz OZIDOIYEIOVBEY-QGZVFWFLSA-N 1 3 364.538 2.652 20 0 FEADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H](CCC[NH3+])COC)CC1 ZINC000422746507 559605333 /nfs/dbraw/zinc/60/53/33/559605333.db2.gz WRZRNWPIZWIDIR-FUHWJXTLSA-N 1 3 366.525 2.372 20 0 FEADHO COc1cccc(N2CCC[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422771431 559606129 /nfs/dbraw/zinc/60/61/29/559606129.db2.gz YDHKCXXWVMDTQB-LRGNLBRXSA-N 1 3 359.514 2.411 20 0 FEADHO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000422777647 559606400 /nfs/dbraw/zinc/60/64/00/559606400.db2.gz COZWUWKFQAJIOA-BRWVUGGUSA-N 1 3 362.518 2.142 20 0 FEADHO O=C1NC2(CCCC2)C(=O)N1CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422777647 559606401 /nfs/dbraw/zinc/60/64/01/559606401.db2.gz COZWUWKFQAJIOA-BRWVUGGUSA-N 1 3 362.518 2.142 20 0 FEADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422779541 559606408 /nfs/dbraw/zinc/60/64/08/559606408.db2.gz BYZHFDKRRSKGOG-KBPBESRZSA-N 1 3 359.561 2.181 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2ccc(N3CCCC3)nc2)CC[NH2+]CC1 ZINC000422822474 559607731 /nfs/dbraw/zinc/60/77/31/559607731.db2.gz AWSICOSGIJTEIT-MRXNPFEDSA-N 1 3 360.502 2.093 20 0 FEADHO COc1cc(C[C@H](CO)CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc(OC)c1 ZINC000422826949 559607880 /nfs/dbraw/zinc/60/78/80/559607880.db2.gz RPVJRYXGLBDHTN-NASSWSRMSA-N 1 3 362.514 2.365 20 0 FEADHO C[C@@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422909537 559610814 /nfs/dbraw/zinc/61/08/14/559610814.db2.gz GGQZGMVQAVYRMA-XLIONFOSSA-N 1 3 358.530 2.132 20 0 FEADHO CCN1CCN(Cc2ccc(N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422916205 559611395 /nfs/dbraw/zinc/61/13/95/559611395.db2.gz CTMXMVBLBZPQDA-YPAWHYETSA-N 1 3 372.557 2.393 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422926778 559611529 /nfs/dbraw/zinc/61/15/29/559611529.db2.gz DZIUYBJDBLMGDE-FUHWJXTLSA-N 1 3 353.532 2.324 20 0 FEADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000423304263 559624905 /nfs/dbraw/zinc/62/49/05/559624905.db2.gz YGNJMURMUDMSJE-ZIAGYGMSSA-N 1 3 351.472 2.004 20 0 FEADHO COc1ccc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c(OC)c1 ZINC000423456014 559629575 /nfs/dbraw/zinc/62/95/75/559629575.db2.gz NGZZXMKGEPGBBF-ZLXGRDSLSA-N 1 3 361.486 2.001 20 0 FEADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000423469883 559629849 /nfs/dbraw/zinc/62/98/49/559629849.db2.gz LBAZFGPHRZRPMU-RSRIQPTJSA-N 1 3 361.505 2.266 20 0 FEADHO O=C(N[C@H]1CNCCC1(F)F)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000423698733 559636374 /nfs/dbraw/zinc/63/63/74/559636374.db2.gz OCFUARCECRTUOT-ZIFCJYIRSA-N 1 3 363.452 2.402 20 0 FEADHO O=C(N[C@H]1CNCCC1(F)F)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000423698733 559636375 /nfs/dbraw/zinc/63/63/75/559636375.db2.gz OCFUARCECRTUOT-ZIFCJYIRSA-N 1 3 363.452 2.402 20 0 FEADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423750302 559638302 /nfs/dbraw/zinc/63/83/02/559638302.db2.gz XMIIOIODSJCZPI-WOJBJXKFSA-N 1 3 372.557 2.341 20 0 FEADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423750302 559638303 /nfs/dbraw/zinc/63/83/03/559638303.db2.gz XMIIOIODSJCZPI-WOJBJXKFSA-N 1 3 372.557 2.341 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)cc2)CC1 ZINC000423975984 559648648 /nfs/dbraw/zinc/64/86/48/559648648.db2.gz OWFJAZQGULVKQV-DYESRHJHSA-N 1 3 358.530 2.274 20 0 FEADHO CC1(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[NH2+]CC1 ZINC000424483516 559667065 /nfs/dbraw/zinc/66/70/65/559667065.db2.gz YGWTWQYEJFBPKO-RBUKOAKNSA-N 1 3 356.514 2.292 20 0 FEADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425655297 559713344 /nfs/dbraw/zinc/71/33/44/559713344.db2.gz FFUUXOIDRYQRID-XLAORIBOSA-N 1 3 350.551 2.479 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000425694676 559715013 /nfs/dbraw/zinc/71/50/13/559715013.db2.gz XGYZXMLFQQOKFJ-RBUKOAKNSA-N 1 3 350.551 2.480 20 0 FEADHO CN1CCN(CCCNC(=O)C[C@H]2CCC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000427291301 559752414 /nfs/dbraw/zinc/75/24/14/559752414.db2.gz FDPICEIRFBHVSF-FPOVZHCZSA-N 1 3 372.557 2.261 20 0 FEADHO C[C@@H](Cn1cc(Br)ccc1=O)NC1CC[NH+](C2CC2)CC1 ZINC000428242099 559772148 /nfs/dbraw/zinc/77/21/48/559772148.db2.gz RUSZZNOWTLARAR-LBPRGKRZSA-N 1 3 354.292 2.216 20 0 FEADHO CC[NH+](CC)CCSCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428554982 559778245 /nfs/dbraw/zinc/77/82/45/559778245.db2.gz VVNCTSRDQZRRIT-GOSISDBHSA-N 1 3 365.543 2.267 20 0 FEADHO CN1CC[C@]2(CC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000429029770 559789270 /nfs/dbraw/zinc/78/92/70/559789270.db2.gz PNFIIVUNZDAXND-RDJZCZTQSA-N 1 3 369.303 2.216 20 0 FEADHO CN1CC[C@]2(CC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000429029770 559789271 /nfs/dbraw/zinc/78/92/71/559789271.db2.gz PNFIIVUNZDAXND-RDJZCZTQSA-N 1 3 369.303 2.216 20 0 FEADHO CCC1(CC)[C@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)[C@H](C)[C@@H]1OC ZINC000429322216 559795999 /nfs/dbraw/zinc/79/59/99/559795999.db2.gz JDHJLSDAPVRYBW-KYNGSXCRSA-N 1 3 351.535 2.159 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccccc1 ZINC000429703306 559804150 /nfs/dbraw/zinc/80/41/50/559804150.db2.gz LWXVOZLABOYWQP-UYWIDEMCSA-N 1 3 371.525 2.343 20 0 FEADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)CC1 ZINC000430570791 559823254 /nfs/dbraw/zinc/82/32/54/559823254.db2.gz CFKRCHIQKWNVQV-HNNXBMFYSA-N 1 3 363.502 2.030 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000430595125 559824148 /nfs/dbraw/zinc/82/41/48/559824148.db2.gz HDKCQNBMOKMUGQ-CTNGQTDRSA-N 1 3 372.557 2.089 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000430601912 559824434 /nfs/dbraw/zinc/82/44/34/559824434.db2.gz FFIXOOFZTLBBAZ-TZIWHRDSSA-N 1 3 372.557 2.231 20 0 FEADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430609706 559824580 /nfs/dbraw/zinc/82/45/80/559824580.db2.gz ILZOCKVAPBJWLK-MAUKXSAKSA-N 1 3 358.486 2.344 20 0 FEADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430609706 559824581 /nfs/dbraw/zinc/82/45/81/559824581.db2.gz ILZOCKVAPBJWLK-MAUKXSAKSA-N 1 3 358.486 2.344 20 0 FEADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC[C@@H](C[NH3+])C1 ZINC000430604269 559824667 /nfs/dbraw/zinc/82/46/67/559824667.db2.gz MKFVBVCCNPLHKG-KRWDZBQOSA-N 1 3 355.486 2.488 20 0 FEADHO CN(C)CCn1ncc(C(=O)NCC[NH2+]C(C)(C)C)c1-c1ccccc1 ZINC000431789279 559845925 /nfs/dbraw/zinc/84/59/25/559845925.db2.gz APFFQGPEXORYKJ-UHFFFAOYSA-N 1 3 357.502 2.230 20 0 FEADHO C[C@H](c1ccc(NC(=O)CCCN2CCC([NH3+])CC2)cc1)N1CCOCC1 ZINC000433117214 559872282 /nfs/dbraw/zinc/87/22/82/559872282.db2.gz NCCPKHOQFWTKSU-QGZVFWFLSA-N 1 3 374.529 2.222 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433269457 559875277 /nfs/dbraw/zinc/87/52/77/559875277.db2.gz BLECLWGUVVSPTR-QRVBRYPASA-N 1 3 368.566 2.155 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000435234754 559918453 /nfs/dbraw/zinc/91/84/53/559918453.db2.gz ALTKPGLNHYYQIH-HXUWFJFHSA-N 1 3 356.514 2.184 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3OCC(=O)NCC3CC3)C[C@@H]21 ZINC000435382118 559921831 /nfs/dbraw/zinc/92/18/31/559921831.db2.gz XUAQIJPWXIHNLJ-NZSAHSFTSA-N 1 3 357.498 2.151 20 0 FEADHO COCC[N@H+](C)CCNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000440178007 560006140 /nfs/dbraw/zinc/00/61/40/560006140.db2.gz YJKICMCZKBQXRN-UHFFFAOYSA-N 1 3 368.566 2.107 20 0 FEADHO COCC[N@@H+](C)CCNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000440178007 560006141 /nfs/dbraw/zinc/00/61/41/560006141.db2.gz YJKICMCZKBQXRN-UHFFFAOYSA-N 1 3 368.566 2.107 20 0 FEADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000442859679 560059964 /nfs/dbraw/zinc/05/99/64/560059964.db2.gz AQZQAOAGSLOQGS-MRXNPFEDSA-N 1 3 362.518 2.028 20 0 FEADHO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442878795 560060343 /nfs/dbraw/zinc/06/03/43/560060343.db2.gz UTSDJJBPXUTWIL-OAHLLOKOSA-N 1 3 362.518 2.330 20 0 FEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000443063544 560068703 /nfs/dbraw/zinc/06/87/03/560068703.db2.gz WUXVZIOQBPXMBG-FUHWJXTLSA-N 1 3 373.497 2.182 20 0 FEADHO C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000527708337 562300940 /nfs/dbraw/zinc/30/09/40/562300940.db2.gz LCOODPIWRUKXEU-IBGZPJMESA-N 1 3 374.529 2.443 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000527766769 562303095 /nfs/dbraw/zinc/30/30/95/562303095.db2.gz FGKXQCFDNHTNOV-LJQANCHMSA-N 1 3 366.550 2.194 20 0 FEADHO COc1cc(C[NH2+]CCCCN2CCN(CCO)CC2)cc2ccccc21 ZINC000449150667 560218164 /nfs/dbraw/zinc/21/81/64/560218164.db2.gz SIKPLXKVOXROFY-UHFFFAOYSA-N 1 3 371.525 2.328 20 0 FEADHO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@H]1CCCCN1C1CCCC1 ZINC000450263683 560256292 /nfs/dbraw/zinc/25/62/92/560256292.db2.gz QXSIALRKFGSAKY-RBUKOAKNSA-N 1 3 351.535 2.137 20 0 FEADHO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@H]1CCCCN1C1CCCC1 ZINC000450263683 560256293 /nfs/dbraw/zinc/25/62/93/560256293.db2.gz QXSIALRKFGSAKY-RBUKOAKNSA-N 1 3 351.535 2.137 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)c1ccccc1 ZINC000451354053 560302184 /nfs/dbraw/zinc/30/21/84/560302184.db2.gz QHAUZGLWCFCPID-DOIPELPJSA-N 1 3 373.541 2.421 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)c1ccccc1 ZINC000451354053 560302185 /nfs/dbraw/zinc/30/21/85/560302185.db2.gz QHAUZGLWCFCPID-DOIPELPJSA-N 1 3 373.541 2.421 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000451475428 560309311 /nfs/dbraw/zinc/30/93/11/560309311.db2.gz CJLRUJGLLKECPV-ONCXSQPRSA-N 1 3 359.514 2.199 20 0 FEADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(CCN(C)c3ccccc3)C2)CC1 ZINC000451528479 560312219 /nfs/dbraw/zinc/31/22/19/560312219.db2.gz FFHNZISCUFALDO-OAQYLSRUSA-N 1 3 372.557 2.389 20 0 FEADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(CCN(C)c3ccccc3)C2)CC1 ZINC000451528479 560312220 /nfs/dbraw/zinc/31/22/20/560312220.db2.gz FFHNZISCUFALDO-OAQYLSRUSA-N 1 3 372.557 2.389 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN2CCN(Cc3ccccc3)C[C@H](C)C2)CC1 ZINC000451711129 560323939 /nfs/dbraw/zinc/32/39/39/560323939.db2.gz RARJLSUIYCRXLW-IBGZPJMESA-N 1 3 372.557 2.041 20 0 FEADHO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000453137472 560383813 /nfs/dbraw/zinc/38/38/13/560383813.db2.gz GRCISNIETRAWHN-QGZVFWFLSA-N 1 3 367.497 2.023 20 0 FEADHO CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453739245 560400675 /nfs/dbraw/zinc/40/06/75/560400675.db2.gz HUXFMPTWSUGZTA-PKOBYXMFSA-N 1 3 372.513 2.165 20 0 FEADHO CSC1(CNC(=O)NC2CC[NH+](C3CCC3)CC2)CCN(C)CC1 ZINC000454968456 560465466 /nfs/dbraw/zinc/46/54/66/560465466.db2.gz HPDZWIWAIKPPRJ-UHFFFAOYSA-N 1 3 354.564 2.130 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000455649977 560490427 /nfs/dbraw/zinc/49/04/27/560490427.db2.gz SLNKCLNMNHPGLG-KRWDZBQOSA-N 1 3 362.522 2.363 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000455649977 560490428 /nfs/dbraw/zinc/49/04/28/560490428.db2.gz SLNKCLNMNHPGLG-KRWDZBQOSA-N 1 3 362.522 2.363 20 0 FEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455672902 560491346 /nfs/dbraw/zinc/49/13/46/560491346.db2.gz WFZBNMIONGIKEY-MRXNPFEDSA-N 1 3 364.538 2.467 20 0 FEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455672902 560491347 /nfs/dbraw/zinc/49/13/47/560491347.db2.gz WFZBNMIONGIKEY-MRXNPFEDSA-N 1 3 364.538 2.467 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC(C)(C)C[NH+]3CCCC3)CC2)c1 ZINC000457058037 560546260 /nfs/dbraw/zinc/54/62/60/560546260.db2.gz VJXWAQGURNBCNO-UHFFFAOYSA-N 1 3 372.557 2.498 20 0 FEADHO C[N@@H+]1CCC[C@@H](CCNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000458159374 560606016 /nfs/dbraw/zinc/60/60/16/560606016.db2.gz FGBYCDIZTWCXJB-FQEVSTJZSA-N 1 3 372.557 2.437 20 0 FEADHO C[N@H+]1CCC[C@@H](CCNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000458159374 560606017 /nfs/dbraw/zinc/60/60/17/560606017.db2.gz FGBYCDIZTWCXJB-FQEVSTJZSA-N 1 3 372.557 2.437 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NCCNc2cc[nH+]cc2)N(C)C)cc1 ZINC000458878961 560653542 /nfs/dbraw/zinc/65/35/42/560653542.db2.gz BXCDIGQBRPLXAQ-GOSISDBHSA-N 1 3 373.526 2.239 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCC1(F)F ZINC000459026804 560662353 /nfs/dbraw/zinc/66/23/53/560662353.db2.gz MLOPJIXWOCIDTN-HOTGVXAUSA-N 1 3 360.493 2.479 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCC1(F)F ZINC000459026804 560662355 /nfs/dbraw/zinc/66/23/55/560662355.db2.gz MLOPJIXWOCIDTN-HOTGVXAUSA-N 1 3 360.493 2.479 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459288806 560677732 /nfs/dbraw/zinc/67/77/32/560677732.db2.gz GKEBZEWTYBLQKY-VQIMIIECSA-N 1 3 362.518 2.329 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459288806 560677733 /nfs/dbraw/zinc/67/77/33/560677733.db2.gz GKEBZEWTYBLQKY-VQIMIIECSA-N 1 3 362.518 2.329 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC[N@@H+](C)C3CCCC3)CC2)c1 ZINC000462017142 560792587 /nfs/dbraw/zinc/79/25/87/560792587.db2.gz PHERVLKILSBAMS-UHFFFAOYSA-N 1 3 372.557 2.498 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC[N@H+](C)C3CCCC3)CC2)c1 ZINC000462017142 560792589 /nfs/dbraw/zinc/79/25/89/560792589.db2.gz PHERVLKILSBAMS-UHFFFAOYSA-N 1 3 372.557 2.498 20 0 FEADHO O=S(=O)(NCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000467414965 560909688 /nfs/dbraw/zinc/90/96/88/560909688.db2.gz XKUCBZWQMBNQQK-CABCVRRESA-N 1 3 371.934 2.225 20 0 FEADHO O=S(=O)(NCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000467414965 560909689 /nfs/dbraw/zinc/90/96/89/560909689.db2.gz XKUCBZWQMBNQQK-CABCVRRESA-N 1 3 371.934 2.225 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000468416755 560929331 /nfs/dbraw/zinc/92/93/31/560929331.db2.gz CBRNEFJARNZDDE-HXUWFJFHSA-N 1 3 372.557 2.498 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000468416755 560929332 /nfs/dbraw/zinc/92/93/32/560929332.db2.gz CBRNEFJARNZDDE-HXUWFJFHSA-N 1 3 372.557 2.498 20 0 FEADHO CC[C@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[NH+](CC)CC ZINC000468416071 560929371 /nfs/dbraw/zinc/92/93/71/560929371.db2.gz FVSABHDFTAPCLR-HXUWFJFHSA-N 1 3 360.546 2.171 20 0 FEADHO CCN1CCN(c2ccccc2CN2CCC(OCCC[NH3+])CC2)CC1 ZINC000469857883 560966928 /nfs/dbraw/zinc/96/69/28/560966928.db2.gz YPAHNDGSICMZBW-UHFFFAOYSA-N 1 3 360.546 2.158 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474289948 561070351 /nfs/dbraw/zinc/07/03/51/561070351.db2.gz COPKDLWIXVFTQC-NRFANRHFSA-N 1 3 351.494 2.278 20 0 FEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000474307017 561070742 /nfs/dbraw/zinc/07/07/42/561070742.db2.gz GGOGRSDHQPXSOU-OSDKZWGASA-N 1 3 351.441 2.399 20 0 FEADHO COc1cccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)N2CCCC2)c1 ZINC000529286139 562367326 /nfs/dbraw/zinc/36/73/26/562367326.db2.gz XVNBRKABTMGULO-RTBURBONSA-N 1 3 372.513 2.416 20 0 FEADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529306123 562368187 /nfs/dbraw/zinc/36/81/87/562368187.db2.gz ARFYDQUAVHZCAY-RBUKOAKNSA-N 1 3 366.550 2.051 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529347613 562370319 /nfs/dbraw/zinc/37/03/19/562370319.db2.gz AQSMSVQCHNYNII-MJGOQNOKSA-N 1 3 356.514 2.435 20 0 FEADHO Cc1cc(NC(=O)NCC[NH+]2CCCCCC2)n(C2CCN(C)CC2)n1 ZINC000530711678 562421362 /nfs/dbraw/zinc/42/13/62/562421362.db2.gz JPZYFVHCWWFRHN-UHFFFAOYSA-N 1 3 362.522 2.456 20 0 FEADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000530743769 562422505 /nfs/dbraw/zinc/42/25/05/562422505.db2.gz OINQLNJXPHGNBN-IBGZPJMESA-N 1 3 362.543 2.160 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(OCc2cccnc2)c1 ZINC000530880596 562427129 /nfs/dbraw/zinc/42/71/29/562427129.db2.gz WJHYPHMFJSIMBB-UHFFFAOYSA-N 1 3 370.497 2.226 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1SCCc2ccccc21 ZINC000531160171 562436673 /nfs/dbraw/zinc/43/66/73/562436673.db2.gz OKEITTVFGBDIDK-GOSISDBHSA-N 1 3 364.559 2.152 20 0 FEADHO C[C@@H]1COCCN1CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000531594413 562451084 /nfs/dbraw/zinc/45/10/84/562451084.db2.gz HMPKVHRAKGBFOZ-GOSISDBHSA-N 1 3 360.546 2.027 20 0 FEADHO C[C@@H]1COCCN1CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000531594413 562451085 /nfs/dbraw/zinc/45/10/85/562451085.db2.gz HMPKVHRAKGBFOZ-GOSISDBHSA-N 1 3 360.546 2.027 20 0 FEADHO CN(C)CCOc1ccc(C[NH2+]C2CCN(c3cnccn3)CC2)cc1 ZINC000531955448 562462502 /nfs/dbraw/zinc/46/25/02/562462502.db2.gz FTZDBWIEKDPZLU-UHFFFAOYSA-N 1 3 355.486 2.176 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000532991305 562494966 /nfs/dbraw/zinc/49/49/66/562494966.db2.gz MGJFPQSFNWKCFP-RBBKRZOGSA-N 1 3 373.541 2.108 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000532991305 562494967 /nfs/dbraw/zinc/49/49/67/562494967.db2.gz MGJFPQSFNWKCFP-RBBKRZOGSA-N 1 3 373.541 2.108 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000533047250 562496815 /nfs/dbraw/zinc/49/68/15/562496815.db2.gz GZOSNGIIPYWUTN-UNMCSNQZSA-N 1 3 373.541 2.250 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000533047250 562496816 /nfs/dbraw/zinc/49/68/16/562496816.db2.gz GZOSNGIIPYWUTN-UNMCSNQZSA-N 1 3 373.541 2.250 20 0 FEADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000533639475 562515282 /nfs/dbraw/zinc/51/52/82/562515282.db2.gz FYPCTCBKSBIEHA-DFQSSKMNSA-N 1 3 359.514 2.331 20 0 FEADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000533639475 562515283 /nfs/dbraw/zinc/51/52/83/562515283.db2.gz FYPCTCBKSBIEHA-DFQSSKMNSA-N 1 3 359.514 2.331 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1N(C)C ZINC000535539766 562560675 /nfs/dbraw/zinc/56/06/75/562560675.db2.gz WSUNGRVEOSNJGZ-CEXWTWQISA-N 1 3 361.555 2.403 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1N(C)C ZINC000535539766 562560676 /nfs/dbraw/zinc/56/06/76/562560676.db2.gz WSUNGRVEOSNJGZ-CEXWTWQISA-N 1 3 361.555 2.403 20 0 FEADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1nc2c(s1)CCCC2 ZINC000536776406 562580537 /nfs/dbraw/zinc/58/05/37/562580537.db2.gz MNHZCOQSDCKRQW-MRXNPFEDSA-N 1 3 366.575 2.063 20 0 FEADHO CC(=O)Nc1ccc([C@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1 ZINC000541917356 562623190 /nfs/dbraw/zinc/62/31/90/562623190.db2.gz LHNJLCZFOXNUGC-KXBFYZLASA-N 1 3 362.518 2.388 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=S)NCCC[NH+](C)C)N(C)C)cc1 ZINC000806599429 674382940 /nfs/dbraw/zinc/38/29/40/674382940.db2.gz RWWIZLIMEJGMRS-GOSISDBHSA-N 1 3 366.575 2.492 20 0 FEADHO CC(C)[C@H](CNC(=O)Nc1cnn(C2CCN(C)CC2)c1)[NH+]1CCCC1 ZINC000636732013 567986865 /nfs/dbraw/zinc/98/68/65/567986865.db2.gz SJNDRARFHHXPBE-SFHVURJKSA-N 1 3 362.522 2.392 20 0 FEADHO COC(=O)c1csc(CNC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000602529588 567988194 /nfs/dbraw/zinc/98/81/94/567988194.db2.gz BXCVHABGZXFTBA-UHFFFAOYSA-N 1 3 351.516 2.183 20 0 FEADHO COC(=O)c1[nH]c(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1C ZINC000602514135 567989655 /nfs/dbraw/zinc/98/96/55/567989655.db2.gz HQQGATFQJAOSTF-UHFFFAOYSA-N 1 3 370.497 2.147 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000636874373 568142030 /nfs/dbraw/zinc/14/20/30/568142030.db2.gz SDPLVAJWBMLJFT-MRXNPFEDSA-N 1 3 354.445 2.180 20 0 FEADHO CN(C)CCOC1CCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000604171460 568221183 /nfs/dbraw/zinc/22/11/83/568221183.db2.gz NJZRYYMYYYECJV-IBGZPJMESA-N 1 3 368.566 2.249 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CCCO1 ZINC000637090629 568354398 /nfs/dbraw/zinc/35/43/98/568354398.db2.gz SKXFYMHPRMIXJZ-PKOBYXMFSA-N 1 3 366.550 2.194 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CCCO1 ZINC000637090629 568354399 /nfs/dbraw/zinc/35/43/99/568354399.db2.gz SKXFYMHPRMIXJZ-PKOBYXMFSA-N 1 3 366.550 2.194 20 0 FEADHO CN1CCC(n2cc(NC(=O)NC3CC[NH+](C4CCC4)CC3)cn2)CC1 ZINC000637199189 568593838 /nfs/dbraw/zinc/59/38/38/568593838.db2.gz CBSWFBNSXXRINQ-UHFFFAOYSA-N 1 3 360.506 2.288 20 0 FEADHO CN(CCCNC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000809741749 674508092 /nfs/dbraw/zinc/50/80/92/674508092.db2.gz VFZXWKZVAKCVCI-KRWDZBQOSA-N 1 3 354.539 2.002 20 0 FEADHO CN(CCCNC(=O)OC(C)(C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000809741749 674508093 /nfs/dbraw/zinc/50/80/93/674508093.db2.gz VFZXWKZVAKCVCI-KRWDZBQOSA-N 1 3 354.539 2.002 20 0 FEADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000559753734 674554899 /nfs/dbraw/zinc/55/48/99/674554899.db2.gz REOBYBKVTYVGQQ-BEFAXECRSA-N 1 3 365.543 2.421 20 0 FEADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000560515452 674596864 /nfs/dbraw/zinc/59/68/64/674596864.db2.gz SNBBDYOBOULXMU-IKGGRYGDSA-N 1 3 371.934 2.081 20 0 FEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000561578412 674681610 /nfs/dbraw/zinc/68/16/10/674681610.db2.gz IVXQNAOKFYMYDD-QGZVFWFLSA-N 1 3 350.507 2.473 20 0 FEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000561578412 674681614 /nfs/dbraw/zinc/68/16/14/674681614.db2.gz IVXQNAOKFYMYDD-QGZVFWFLSA-N 1 3 350.507 2.473 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C[C@H]3CCCO3)CC2)CC1 ZINC000564098723 674973323 /nfs/dbraw/zinc/97/33/23/674973323.db2.gz XJPWGHUKHRXIJE-QFBILLFUSA-N 1 3 351.535 2.257 20 0 FEADHO CN1CCN(CC[NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1(C)C ZINC000564444830 675019541 /nfs/dbraw/zinc/01/95/41/675019541.db2.gz WRTAFQZIJWNCFD-UHFFFAOYSA-N 1 3 352.910 2.284 20 0 FEADHO CCN1CCN(CCCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000570447510 670715596 /nfs/dbraw/zinc/71/55/96/670715596.db2.gz WHBYWQDFCLZDLA-LJQANCHMSA-N 1 3 352.567 2.208 20 0 FEADHO CCc1cccc(OC[C@@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000565770471 675149941 /nfs/dbraw/zinc/14/99/41/675149941.db2.gz VPZXBUADNXVNRB-HKUYNNGSSA-N 1 3 350.503 2.079 20 0 FEADHO CCc1cccc(OC[C@@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000565770471 675149947 /nfs/dbraw/zinc/14/99/47/675149947.db2.gz VPZXBUADNXVNRB-HKUYNNGSSA-N 1 3 350.503 2.079 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[NH2+]1 ZINC000574142264 671206968 /nfs/dbraw/zinc/20/69/68/671206968.db2.gz XBGGQNGWVVLCMG-QSFCEBDXSA-N 1 3 362.440 2.231 20 0 FEADHO Cc1cc(NC(=O)CCNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)no1 ZINC000578997988 671704906 /nfs/dbraw/zinc/70/49/06/671704906.db2.gz MZBZUCHCGDKMIT-KBXCAEBGSA-N 1 3 362.499 3.046 20 0 FEADHO Cc1cc(NC(=O)CCNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)no1 ZINC000578997988 671704907 /nfs/dbraw/zinc/70/49/07/671704907.db2.gz MZBZUCHCGDKMIT-KBXCAEBGSA-N 1 3 362.499 3.046 20 0 FEADHO CCN1CCN([C@@H](C)CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000579128656 671714406 /nfs/dbraw/zinc/71/44/06/671714406.db2.gz LXGMIGIGEMIABN-HKUYNNGSSA-N 1 3 352.567 2.207 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)O[C@@H](C)[C@@H]3C)CC2)CC1 ZINC000579492085 671740015 /nfs/dbraw/zinc/74/00/15/671740015.db2.gz UZSWOPDMYCBVDW-ULQDDVLXSA-N 1 3 351.535 2.207 20 0 FEADHO CC(C)(C)OC(=O)NC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCOCC1 ZINC000700313769 673056099 /nfs/dbraw/zinc/05/60/99/673056099.db2.gz PNZKBVCYMPNPCY-CVEARBPZSA-N 1 3 353.507 2.277 20 0 FEADHO CC(C)(C)OC(=O)NC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCOCC1 ZINC000700313769 673056103 /nfs/dbraw/zinc/05/61/03/673056103.db2.gz PNZKBVCYMPNPCY-CVEARBPZSA-N 1 3 353.507 2.277 20 0 FEADHO CCSC1(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000595488884 673257207 /nfs/dbraw/zinc/25/72/07/673257207.db2.gz NHMCVMAOSJNHFC-UHFFFAOYSA-N 1 3 354.564 2.130 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000597051226 673443072 /nfs/dbraw/zinc/44/30/72/673443072.db2.gz RHYSRIKRAOKFKV-CQSZACIVSA-N 1 3 353.894 2.242 20 0 FEADHO COC(=O)c1oc(CNCC2CC[NH+](C3CCOCC3)CC2)cc1C ZINC000597175584 673454072 /nfs/dbraw/zinc/45/40/72/673454072.db2.gz FJRVGIYRBVOHTN-UHFFFAOYSA-N 1 3 350.459 2.355 20 0 FEADHO CC[NH+](CC)CCSCC(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000598535834 673579858 /nfs/dbraw/zinc/57/98/58/673579858.db2.gz JEKKOQIBGSZDHB-KRWDZBQOSA-N 1 3 371.591 2.163 20 0 FEADHO CS[C@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C[C@H]1N(C)C ZINC000546838241 673822135 /nfs/dbraw/zinc/82/21/35/673822135.db2.gz WVXLGWFVDCZWAA-SJORKVTESA-N 1 3 366.531 2.136 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccc(OC)cc2)[C@H](C)C1 ZINC000746471149 673880207 /nfs/dbraw/zinc/88/02/07/673880207.db2.gz KZTOGKFLHBDRBC-POAQFYNOSA-N 1 3 350.503 2.235 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccc(OC)cc2)[C@H](C)C1 ZINC000746471149 673880211 /nfs/dbraw/zinc/88/02/11/673880211.db2.gz KZTOGKFLHBDRBC-POAQFYNOSA-N 1 3 350.503 2.235 20 0 FEADHO C[NH+](C)CCOc1cc(CNC[C@@H](O)c2ccc(F)c(F)c2)ccn1 ZINC000819195437 675268635 /nfs/dbraw/zinc/26/86/35/675268635.db2.gz CQGPQMMNIAWXLB-QGZVFWFLSA-N 1 3 351.397 2.123 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)C[C@@H](C)O)CC2)CC1 ZINC000568427929 675373081 /nfs/dbraw/zinc/37/30/81/675373081.db2.gz VHDYXHUNEXPDHS-MRXNPFEDSA-N 1 3 353.551 2.096 20 0 FEADHO C[C@H](NCCNS(=O)(=O)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000820808909 675390626 /nfs/dbraw/zinc/39/06/26/675390626.db2.gz PYNLFLRVNZXPNN-INIZCTEOSA-N 1 3 361.511 2.377 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C(F)(F)F)n1 ZINC000822508850 675489453 /nfs/dbraw/zinc/48/94/53/675489453.db2.gz SPKFOJMEHLTFFP-LBPRGKRZSA-N 1 3 361.412 2.494 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C(F)(F)F)n1 ZINC000822508850 675489455 /nfs/dbraw/zinc/48/94/55/675489455.db2.gz SPKFOJMEHLTFFP-LBPRGKRZSA-N 1 3 361.412 2.494 20 0 FEADHO C[NH+](C)C[C@@H]1CCN(C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000822621276 675496393 /nfs/dbraw/zinc/49/63/93/675496393.db2.gz HPRCZWXSWSVHJR-LPHOPBHVSA-N 1 3 355.523 2.022 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000828394811 675817209 /nfs/dbraw/zinc/81/72/09/675817209.db2.gz AQYGPGUOHXUGDZ-INIZCTEOSA-N 1 3 368.909 2.050 20 0 FEADHO C[C@@H](C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C)N1CCCCCC1 ZINC000622755409 676504953 /nfs/dbraw/zinc/50/49/53/676504953.db2.gz YSGZEBVOUKKEQB-ZWKOTPCHSA-N 1 3 351.535 2.353 20 0 FEADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000632952118 677023216 /nfs/dbraw/zinc/02/32/16/677023216.db2.gz FGZVWFSTNXTRPE-KBPBESRZSA-N 1 3 364.877 2.391 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=S)NCC1CC[NH+](C)CC1 ZINC000760491804 680689934 /nfs/dbraw/zinc/68/99/34/680689934.db2.gz OGYIGVXIWSEJDY-UHFFFAOYSA-N 1 3 354.589 2.328 20 0 FEADHO [NH3+]C1CCC(OCC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000645183566 677255179 /nfs/dbraw/zinc/25/51/79/677255179.db2.gz FMNSYSULGQWVLW-GPANFISMSA-N 1 3 351.516 2.288 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647308669 677300181 /nfs/dbraw/zinc/30/01/81/677300181.db2.gz SPZRLOAWXQNHIJ-MSOLQXFVSA-N 1 3 365.543 2.149 20 0 FEADHO CC(C)(O)CN1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000647909128 677308374 /nfs/dbraw/zinc/30/83/74/677308374.db2.gz NPXXJVHXJDWOEC-UHFFFAOYSA-N 1 3 354.878 2.436 20 0 FEADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NCc1cc(F)cc(F)c1 ZINC000647978012 677309919 /nfs/dbraw/zinc/30/99/19/677309919.db2.gz KZNJQDNRFFNCJS-HZPDHXFCSA-N 1 3 351.441 2.293 20 0 FEADHO CCN(C(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000652345718 677480419 /nfs/dbraw/zinc/48/04/19/677480419.db2.gz KFVTWNNZLNRHLD-JENIJYKNSA-N 1 3 351.535 2.386 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3CCSCC3)CC2)CC1 ZINC000654786881 677603346 /nfs/dbraw/zinc/60/33/46/677603346.db2.gz JNXMIOOSFWOVMA-UHFFFAOYSA-N 1 3 353.576 2.442 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C[C@@H]3CCOC3)CC2)CC1 ZINC000654894655 677611094 /nfs/dbraw/zinc/61/10/94/677611094.db2.gz UBRGJSBSZOUOKB-IRXDYDNUSA-N 1 3 351.535 2.114 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](OC)CC3)CC2)CC1 ZINC000654994342 677616713 /nfs/dbraw/zinc/61/67/13/677616713.db2.gz OITBVXIUHMANJH-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO CCC(C)(C)[NH+]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000655272643 677633943 /nfs/dbraw/zinc/63/39/43/677633943.db2.gz USMYUPXAXMIOOG-UHFFFAOYSA-N 1 3 351.535 2.354 20 0 FEADHO CC[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)N1CCc2ccccc2C1 ZINC000655912226 677671991 /nfs/dbraw/zinc/67/19/91/677671991.db2.gz LMRZZBFYHSVHIP-LSDHHAIUSA-N 1 3 358.408 2.012 20 0 FEADHO C[C@@H](N[C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000658107298 678058582 /nfs/dbraw/zinc/05/85/82/678058582.db2.gz GQCSXOJPOFVNAQ-LSDHHAIUSA-N 1 3 373.538 2.152 20 0 FEADHO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659482671 678182503 /nfs/dbraw/zinc/18/25/03/678182503.db2.gz QCCFKWPYOYRHBV-KZNAEPCWSA-N 1 3 350.482 2.224 20 0 FEADHO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659482671 678182506 /nfs/dbraw/zinc/18/25/06/678182506.db2.gz QCCFKWPYOYRHBV-KZNAEPCWSA-N 1 3 350.482 2.224 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@@]3(C)CC3(F)F)CC2)CC1 ZINC000660574242 678359280 /nfs/dbraw/zinc/35/92/80/678359280.db2.gz OAHNISAJUZEMAC-KRWDZBQOSA-N 1 3 358.477 2.280 20 0 FEADHO [NH3+]C1(CC(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000662739492 678656393 /nfs/dbraw/zinc/65/63/93/678656393.db2.gz PBJAPBPSHRUYIA-UHFFFAOYSA-N 1 3 351.878 2.181 20 0 FEADHO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3c(s2)CCNC3)c2ccccc2O1 ZINC000662752939 678659131 /nfs/dbraw/zinc/65/91/31/678659131.db2.gz VQDQJDLEUBEJNT-CQSZACIVSA-N 1 3 357.479 2.363 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000663845933 678797082 /nfs/dbraw/zinc/79/70/82/678797082.db2.gz CJCFNASYAASCJQ-QGTPRVQTSA-N 1 3 350.482 2.253 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000663845933 678797084 /nfs/dbraw/zinc/79/70/84/678797084.db2.gz CJCFNASYAASCJQ-QGTPRVQTSA-N 1 3 350.482 2.253 20 0 FEADHO CCC[N@H+](C)CC(C)(C)NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000664304663 678859082 /nfs/dbraw/zinc/85/90/82/678859082.db2.gz ZSAOLSKMXLKJFG-UHFFFAOYSA-N 1 3 356.555 2.295 20 0 FEADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000664304663 678859086 /nfs/dbraw/zinc/85/90/86/678859086.db2.gz ZSAOLSKMXLKJFG-UHFFFAOYSA-N 1 3 356.555 2.295 20 0 FEADHO CC(C)C[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000664593874 678902000 /nfs/dbraw/zinc/90/20/00/678902000.db2.gz BUBJUIXURUDVCO-OKZBNKHCSA-N 1 3 356.555 2.151 20 0 FEADHO CC(C)C[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000664593874 678902003 /nfs/dbraw/zinc/90/20/03/678902003.db2.gz BUBJUIXURUDVCO-OKZBNKHCSA-N 1 3 356.555 2.151 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000664777970 678923181 /nfs/dbraw/zinc/92/31/81/678923181.db2.gz JUHVMRBVJJJXFB-JCGIZDLHSA-N 1 3 350.482 2.253 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000664777970 678923182 /nfs/dbraw/zinc/92/31/82/678923182.db2.gz JUHVMRBVJJJXFB-JCGIZDLHSA-N 1 3 350.482 2.253 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000665759748 678981687 /nfs/dbraw/zinc/98/16/87/678981687.db2.gz OENSJEJMORKDKO-DOTOQJQBSA-N 1 3 368.547 2.103 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000665759748 678981690 /nfs/dbraw/zinc/98/16/90/678981690.db2.gz OENSJEJMORKDKO-DOTOQJQBSA-N 1 3 368.547 2.103 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000665763838 678982569 /nfs/dbraw/zinc/98/25/69/678982569.db2.gz NADWDHUBIYYEFN-WDYCEAGBSA-N 1 3 350.482 2.195 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000665763838 678982572 /nfs/dbraw/zinc/98/25/72/678982572.db2.gz NADWDHUBIYYEFN-WDYCEAGBSA-N 1 3 350.482 2.195 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000665763706 678982644 /nfs/dbraw/zinc/98/26/44/678982644.db2.gz JOJBOJRHQCXSRQ-MUPNANLLSA-N 1 3 350.551 2.336 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000665763706 678982646 /nfs/dbraw/zinc/98/26/46/678982646.db2.gz JOJBOJRHQCXSRQ-MUPNANLLSA-N 1 3 350.551 2.336 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(OC2CCC2)CC1 ZINC000665763997 678982972 /nfs/dbraw/zinc/98/29/72/678982972.db2.gz RCSCEKSJRULVGZ-INIZCTEOSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(OC2CCC2)CC1 ZINC000665763997 678982975 /nfs/dbraw/zinc/98/29/75/678982975.db2.gz RCSCEKSJRULVGZ-INIZCTEOSA-N 1 3 354.539 2.002 20 0 FEADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000671771974 679345612 /nfs/dbraw/zinc/34/56/12/679345612.db2.gz IBTOKBVOXJEEBM-RQJABVFESA-N 1 3 351.520 2.280 20 0 FEADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000671771974 679345614 /nfs/dbraw/zinc/34/56/14/679345614.db2.gz IBTOKBVOXJEEBM-RQJABVFESA-N 1 3 351.520 2.280 20 0 FEADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000673882497 679452406 /nfs/dbraw/zinc/45/24/06/679452406.db2.gz NCFPFKBGTKMDLL-GOSISDBHSA-N 1 3 354.539 2.048 20 0 FEADHO Cc1ncsc1CN(C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001017134254 680070806 /nfs/dbraw/zinc/07/08/06/680070806.db2.gz WKEWXWNFXYUHSD-BRWVUGGUSA-N 1 3 364.559 2.462 20 0 FEADHO Cc1ncsc1CN(C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001017134254 680070809 /nfs/dbraw/zinc/07/08/09/680070809.db2.gz WKEWXWNFXYUHSD-BRWVUGGUSA-N 1 3 364.559 2.462 20 0 FEADHO Cc1ncsc1CN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990766410 680072975 /nfs/dbraw/zinc/07/29/75/680072975.db2.gz VDISEHJIMZOJOJ-IIHSZXCVSA-N 1 3 362.543 2.405 20 0 FEADHO Cc1ncsc1CN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990766410 680072977 /nfs/dbraw/zinc/07/29/77/680072977.db2.gz VDISEHJIMZOJOJ-IIHSZXCVSA-N 1 3 362.543 2.405 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCc2ccns2)CC[N@@H+]1C ZINC001024968495 680308541 /nfs/dbraw/zinc/30/85/41/680308541.db2.gz YWYJOXQIIVDZRO-HYVNUMGLSA-N 1 3 350.532 2.344 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCc2ccns2)CC[N@H+]1C ZINC001024968495 680308547 /nfs/dbraw/zinc/30/85/47/680308547.db2.gz YWYJOXQIIVDZRO-HYVNUMGLSA-N 1 3 350.532 2.344 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(CCOC3CCC3)C2)CC[N@@H+]1C ZINC001034216997 680431706 /nfs/dbraw/zinc/43/17/06/680431706.db2.gz NEFDORBSKRSNFZ-YTQUADARSA-N 1 3 351.535 2.257 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(CCOC3CCC3)C2)CC[N@H+]1C ZINC001034216997 680431712 /nfs/dbraw/zinc/43/17/12/680431712.db2.gz NEFDORBSKRSNFZ-YTQUADARSA-N 1 3 351.535 2.257 20 0 FEADHO CN(C)C[C@H](NC(=O)COC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000935869562 681841146 /nfs/dbraw/zinc/84/11/46/681841146.db2.gz RKFDKGZEJGPLHV-KRWDZBQOSA-N 1 3 353.894 2.170 20 0 FEADHO CCN1CC[C@H]([N@H+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C[C@@H]1C ZINC000851798171 682138623 /nfs/dbraw/zinc/13/86/23/682138623.db2.gz ZSAYTTZSNOXYGD-ULQDDVLXSA-N 1 3 355.523 2.427 20 0 FEADHO CCN1CC[C@H]([N@@H+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C[C@@H]1C ZINC000851798171 682138625 /nfs/dbraw/zinc/13/86/25/682138625.db2.gz ZSAYTTZSNOXYGD-ULQDDVLXSA-N 1 3 355.523 2.427 20 0 FEADHO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC000919225011 685545414 /nfs/dbraw/zinc/54/54/14/685545414.db2.gz DIAVURUMLRNLTH-IBGZPJMESA-N 1 3 369.575 2.143 20 0 FEADHO C[NH+](C)CCCCCCCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000853487165 682422213 /nfs/dbraw/zinc/42/22/13/682422213.db2.gz IMPJPTSEXGNIHN-GOSISDBHSA-N 1 3 354.539 2.051 20 0 FEADHO CC(C)[C@@H]1CCN(CN2CCC(CCC[NH+]3CCOCC3)CC2)C1=O ZINC000853507227 682425111 /nfs/dbraw/zinc/42/51/11/682425111.db2.gz WOBJYYFDJGBIFN-IBGZPJMESA-N 1 3 351.535 2.273 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000789396403 682600842 /nfs/dbraw/zinc/60/08/42/682600842.db2.gz VBBAEISBUMHEHK-SJLPKXTDSA-N 1 3 364.559 2.246 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000789396403 682600845 /nfs/dbraw/zinc/60/08/45/682600845.db2.gz VBBAEISBUMHEHK-SJLPKXTDSA-N 1 3 364.559 2.246 20 0 FEADHO CN(CCOCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC000858502143 682974260 /nfs/dbraw/zinc/97/42/60/682974260.db2.gz YCPCMSZIJPAZAZ-BBWFWOEESA-N 1 3 355.523 2.332 20 0 FEADHO COCCN(CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC000796858346 683201403 /nfs/dbraw/zinc/20/14/03/683201403.db2.gz YKYVBRHYMFCLDG-BBWFWOEESA-N 1 3 355.523 2.332 20 0 FEADHO COCCN(CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC000796858346 683201408 /nfs/dbraw/zinc/20/14/08/683201408.db2.gz YKYVBRHYMFCLDG-BBWFWOEESA-N 1 3 355.523 2.332 20 0 FEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cncc(Br)c1)C2 ZINC000922387946 683712492 /nfs/dbraw/zinc/71/24/92/683712492.db2.gz NKURJHHCDCKPBI-WCXIOVBPSA-N 1 3 368.319 2.413 20 0 FEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cncc(Br)c1)C2 ZINC000922387946 683712496 /nfs/dbraw/zinc/71/24/96/683712496.db2.gz NKURJHHCDCKPBI-WCXIOVBPSA-N 1 3 368.319 2.413 20 0 FEADHO CC(C)(C)OC(=O)N1CC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)[C@@H](O)C1 ZINC000866492435 684111371 /nfs/dbraw/zinc/11/13/71/684111371.db2.gz GRZLSSHWOVBLIH-CVEARBPZSA-N 1 3 355.523 2.209 20 0 FEADHO C[C@@H]1CN(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923502347 684293535 /nfs/dbraw/zinc/29/35/35/684293535.db2.gz BHWCUKBGZNNRQS-UKRRQHHQSA-N 1 3 355.429 2.163 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)NCc2cccc3c2CC[NH2+]C3)cc(Cl)n1 ZINC000877141098 686331711 /nfs/dbraw/zinc/33/17/11/686331711.db2.gz DHAWEKNEKKGPPC-KRWDZBQOSA-N 1 3 358.873 2.395 20 0 FEADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000877258324 686344110 /nfs/dbraw/zinc/34/41/10/686344110.db2.gz MPOFFGZAPNRJCR-LJQANCHMSA-N 1 3 351.535 2.245 20 0 FEADHO Cn1cc(C[NH+]2CCC(N3CCN(C)CC3)CC2)c(-c2cccs2)n1 ZINC000877746081 686448628 /nfs/dbraw/zinc/44/86/28/686448628.db2.gz GZMXNUKZIKAPCX-UHFFFAOYSA-N 1 3 359.543 2.360 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)CC2(O)CCCCC2)[C@@H](C)C1 ZINC000878446721 686586655 /nfs/dbraw/zinc/58/66/55/686586655.db2.gz IBFWJMJKOUPPLT-OTWHNJEPSA-N 1 3 356.551 2.159 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)CC2(O)CCCCC2)[C@@H](C)C1 ZINC000878446721 686586657 /nfs/dbraw/zinc/58/66/57/686586657.db2.gz IBFWJMJKOUPPLT-OTWHNJEPSA-N 1 3 356.551 2.159 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3CCC(C)(C)CO3)CC2)CC1 ZINC000878553856 686606598 /nfs/dbraw/zinc/60/65/98/686606598.db2.gz UFIJZBNVZVVQCV-GOSISDBHSA-N 1 3 351.535 2.257 20 0 FEADHO COCC[C@@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000884214297 687820631 /nfs/dbraw/zinc/82/06/31/687820631.db2.gz YIFDOTLHIXJNKT-QGZVFWFLSA-N 1 3 353.894 2.032 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)N(C)C)cc1 ZINC000895059732 689650702 /nfs/dbraw/zinc/65/07/02/689650702.db2.gz WPXQKIQNGIHSPY-SOLBZPMBSA-N 1 3 362.543 2.214 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)N(C)C)cc1 ZINC000895059732 689650707 /nfs/dbraw/zinc/65/07/07/689650707.db2.gz WPXQKIQNGIHSPY-SOLBZPMBSA-N 1 3 362.543 2.214 20 0 FEADHO CN(C)Cc1ccnc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@@H]23)c1 ZINC001164958927 722051090 /nfs/dbraw/zinc/05/10/90/722051090.db2.gz HRSNBPRVJFZJDR-WAOWUJCRSA-N 1 3 367.497 2.443 20 0 FEADHO CC(C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)S(C)(=O)=O ZINC000048227539 540352621 /nfs/dbraw/zinc/35/26/21/540352621.db2.gz DAVNZEJYNXWQKL-HUUCEWRRSA-N 1 3 352.500 2.110 20 0 FEADHO CC(C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)S(C)(=O)=O ZINC000048227539 540352623 /nfs/dbraw/zinc/35/26/23/540352623.db2.gz DAVNZEJYNXWQKL-HUUCEWRRSA-N 1 3 352.500 2.110 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000048722301 540371552 /nfs/dbraw/zinc/37/15/52/540371552.db2.gz JDMJTDHJKAXTMO-UHFFFAOYSA-N 1 3 360.502 2.067 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000049131987 540381528 /nfs/dbraw/zinc/38/15/28/540381528.db2.gz VGROEHOBQSXFSX-MRXNPFEDSA-N 1 3 360.502 2.067 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000049131987 540381531 /nfs/dbraw/zinc/38/15/31/540381531.db2.gz VGROEHOBQSXFSX-MRXNPFEDSA-N 1 3 360.502 2.067 20 0 FEADHO CC(C)Oc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000050798331 540414321 /nfs/dbraw/zinc/41/43/21/540414321.db2.gz NFOUCTZMYRFNHI-UHFFFAOYSA-N 1 3 360.502 2.157 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)COc3ccc(F)cc3F)CC2)CC1 ZINC000050798907 540414798 /nfs/dbraw/zinc/41/47/98/540414798.db2.gz QRPSOGFPHNWMOG-UHFFFAOYSA-N 1 3 367.440 2.018 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)COc3ccccc3Cl)CC2)CC1 ZINC000050802348 540415374 /nfs/dbraw/zinc/41/53/74/540415374.db2.gz NDCJWCSYPZMMPP-UHFFFAOYSA-N 1 3 365.905 2.394 20 0 FEADHO COc1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc2c1OCCO2 ZINC000062253143 541146484 /nfs/dbraw/zinc/14/64/84/541146484.db2.gz YTKDIHYPMMPYME-HOTGVXAUSA-N 1 3 364.486 2.445 20 0 FEADHO COCCN(C)CCNC(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000066195506 541289574 /nfs/dbraw/zinc/28/95/74/541289574.db2.gz UDCOCBJLMAUTJA-UHFFFAOYSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@H](CC[NH+](C)C)NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000068592745 541612247 /nfs/dbraw/zinc/61/22/47/541612247.db2.gz MHTPNRZXKJBLHO-CQSZACIVSA-N 1 3 356.461 2.378 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)NCC2([NH+](C)C)CCOCC2)N(C)C)cc1 ZINC000073208708 541930035 /nfs/dbraw/zinc/93/00/35/541930035.db2.gz MULZMGBXEWUYME-GOSISDBHSA-N 1 3 362.518 2.008 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000073428426 541952993 /nfs/dbraw/zinc/95/29/93/541952993.db2.gz NTIZJIPCCBLVFA-MRXNPFEDSA-N 1 3 354.539 2.048 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000073489053 541957942 /nfs/dbraw/zinc/95/79/42/541957942.db2.gz YOJQOWGAYZXTQM-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000073496413 541958711 /nfs/dbraw/zinc/95/87/11/541958711.db2.gz RAAHJYQZURSWPX-PMACEKPBSA-N 1 3 374.529 2.013 20 0 FEADHO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCN1CCN(c3ccccc3)CC1)C2 ZINC000074088006 542035321 /nfs/dbraw/zinc/03/53/21/542035321.db2.gz VSQMTEDKCSSWGR-VCSGRIEYSA-N 1 3 370.541 2.330 20 0 FEADHO C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)CCN1CCN(c3ccccc3)CC1)C2 ZINC000074088006 542035324 /nfs/dbraw/zinc/03/53/24/542035324.db2.gz VSQMTEDKCSSWGR-VCSGRIEYSA-N 1 3 370.541 2.330 20 0 FEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000074158848 542044482 /nfs/dbraw/zinc/04/44/82/542044482.db2.gz ATAQKZXGQWDMGS-SFHVURJKSA-N 1 3 351.535 2.212 20 0 FEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000074158848 542044486 /nfs/dbraw/zinc/04/44/86/542044486.db2.gz ATAQKZXGQWDMGS-SFHVURJKSA-N 1 3 351.535 2.212 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CCSCC1 ZINC000074212579 542053921 /nfs/dbraw/zinc/05/39/21/542053921.db2.gz IHPPDRKYRJLYKZ-QGZVFWFLSA-N 1 3 356.580 2.187 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CCSCC1 ZINC000074212579 542053923 /nfs/dbraw/zinc/05/39/23/542053923.db2.gz IHPPDRKYRJLYKZ-QGZVFWFLSA-N 1 3 356.580 2.187 20 0 FEADHO COc1cc(C[NH2+]CC2(O)CCN(C)CC2)ccc1OCc1ccncc1 ZINC000077450543 542383322 /nfs/dbraw/zinc/38/33/22/542383322.db2.gz QMVJPMSCGXDXQL-UHFFFAOYSA-N 1 3 371.481 2.216 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000551584109 674152689 /nfs/dbraw/zinc/15/26/89/674152689.db2.gz GBFOWTSIQUNHEO-MYPMTAMASA-N 1 3 361.452 2.494 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000551584109 674152691 /nfs/dbraw/zinc/15/26/91/674152691.db2.gz GBFOWTSIQUNHEO-MYPMTAMASA-N 1 3 361.452 2.494 20 0 FEADHO C[C@H](NC(=O)N[C@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000085364379 542725248 /nfs/dbraw/zinc/72/52/48/542725248.db2.gz FGNZQZUSAFOELX-OWSLCNJRSA-N 1 3 368.566 2.151 20 0 FEADHO Cc1nn(-c2ccccc2)cc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000092615583 542874681 /nfs/dbraw/zinc/87/46/81/542874681.db2.gz JYWDTKBPPAPWGB-UHFFFAOYSA-N 1 3 369.513 2.071 20 0 FEADHO COc1cccc([C@H]2C[C@H]2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000106759611 543245198 /nfs/dbraw/zinc/24/51/98/543245198.db2.gz MVJBDAUPXISNHY-NHCUHLMSSA-N 1 3 371.525 2.474 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111547739 543406891 /nfs/dbraw/zinc/40/68/91/543406891.db2.gz RKAUQMOAHLYTEP-FQEVSTJZSA-N 1 3 358.530 2.189 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111547739 543406893 /nfs/dbraw/zinc/40/68/93/543406893.db2.gz RKAUQMOAHLYTEP-FQEVSTJZSA-N 1 3 358.530 2.189 20 0 FEADHO C[NH+](C)CCOc1cccc(CNC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000124222025 543807804 /nfs/dbraw/zinc/80/78/04/543807804.db2.gz OUTPFCJJUFLUTM-UHFFFAOYSA-N 1 3 374.529 2.397 20 0 FEADHO CC[C@H](C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)N(C)C ZINC000124771794 543842190 /nfs/dbraw/zinc/84/21/90/543842190.db2.gz ZKOCRQQANRMOFM-HXUWFJFHSA-N 1 3 360.546 2.354 20 0 FEADHO CN1CCCN(CCC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000128603985 544062219 /nfs/dbraw/zinc/06/22/19/544062219.db2.gz BLASRWRAZJMLOD-UHFFFAOYSA-N 1 3 370.541 2.436 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(NC(C)=O)c1 ZINC000128982466 544084548 /nfs/dbraw/zinc/08/45/48/544084548.db2.gz QYUFTMWDMZHPNU-LJQANCHMSA-N 1 3 360.502 2.133 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(NC(C)=O)c1 ZINC000128982466 544084552 /nfs/dbraw/zinc/08/45/52/544084552.db2.gz QYUFTMWDMZHPNU-LJQANCHMSA-N 1 3 360.502 2.133 20 0 FEADHO CC[N@H+](CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)C1CC1 ZINC000132777070 544243513 /nfs/dbraw/zinc/24/35/13/544243513.db2.gz NPLYVRCWLALCIR-MRXNPFEDSA-N 1 3 359.518 2.391 20 0 FEADHO CC[N@@H+](CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)C1CC1 ZINC000132777070 544243514 /nfs/dbraw/zinc/24/35/14/544243514.db2.gz NPLYVRCWLALCIR-MRXNPFEDSA-N 1 3 359.518 2.391 20 0 FEADHO C[C@@H](CCNCc1ccccc1N(C)C1CC[NH+](C)CC1)[S@](C)=O ZINC000133611833 544276642 /nfs/dbraw/zinc/27/66/42/544276642.db2.gz ZLTQFMFAFDRRJG-UPCLLVRISA-N 1 3 351.560 2.464 20 0 FEADHO COc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1OC(C)C ZINC000133617762 544277280 /nfs/dbraw/zinc/27/72/80/544277280.db2.gz FSJUFAOJGLNXBR-UHFFFAOYSA-N 1 3 366.506 2.440 20 0 FEADHO C[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[N@H+](C)C1CC1 ZINC000133933805 544288517 /nfs/dbraw/zinc/28/85/17/544288517.db2.gz IOTHHALCOLVFJJ-HOTGVXAUSA-N 1 3 359.518 2.389 20 0 FEADHO C[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[N@@H+](C)C1CC1 ZINC000133933805 544288520 /nfs/dbraw/zinc/28/85/20/544288520.db2.gz IOTHHALCOLVFJJ-HOTGVXAUSA-N 1 3 359.518 2.389 20 0 FEADHO CC(C)[NH+]1CCC(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)CC1 ZINC000135557672 544353074 /nfs/dbraw/zinc/35/30/74/544353074.db2.gz SPZMHMPXIFNCAR-NRFANRHFSA-N 1 3 373.541 2.380 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccnc2-n2cccn2)[C@H](C)C1 ZINC000151449678 544542854 /nfs/dbraw/zinc/54/28/54/544542854.db2.gz GJSAECYJUDCYGK-IEBWSBKVSA-N 1 3 357.502 2.494 20 0 FEADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000182487484 327777439 /nfs/dbraw/zinc/77/74/39/327777439.db2.gz ORBGPVFRAQOSKM-QZTJIDSGSA-N 1 3 354.516 2.072 20 0 FEADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000187819317 328048148 /nfs/dbraw/zinc/04/81/48/328048148.db2.gz LGPPVKHIOPRKCD-ICSRJNTNSA-N 1 3 358.530 2.490 20 0 FEADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188755266 328108986 /nfs/dbraw/zinc/10/89/86/328108986.db2.gz WKAZBOPZWFERBE-UHFFFAOYSA-N 1 3 367.497 2.040 20 0 FEADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188755266 328108987 /nfs/dbraw/zinc/10/89/87/328108987.db2.gz WKAZBOPZWFERBE-UHFFFAOYSA-N 1 3 367.497 2.040 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000190079371 328186311 /nfs/dbraw/zinc/18/63/11/328186311.db2.gz OCIMZSLNLSABFV-LPHOPBHVSA-N 1 3 372.513 2.162 20 0 FEADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000192785360 328339594 /nfs/dbraw/zinc/33/95/94/328339594.db2.gz HLHNRYCFAYBWKI-SFHVURJKSA-N 1 3 356.518 2.334 20 0 FEADHO COc1cccc(COC[C@H](O)CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000193080929 328356208 /nfs/dbraw/zinc/35/62/08/328356208.db2.gz VASBNZBBUZPYKW-HXUWFJFHSA-N 1 3 362.514 2.381 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)C3([NH3+])CCCCC3)CC2)C[C@@H](C)O1 ZINC000237400575 328514814 /nfs/dbraw/zinc/51/48/14/328514814.db2.gz OKPUNAAFDWCWTC-IAGOWNOFSA-N 1 3 351.535 2.386 20 0 FEADHO CN(C(=O)CCC1CC[NH2+]CC1)C1CCN(CCc2ccccn2)CC1 ZINC000237286564 328511037 /nfs/dbraw/zinc/51/10/37/328511037.db2.gz TZMFJUMCMLCLIA-UHFFFAOYSA-N 1 3 358.530 2.327 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000085390838 325252163 /nfs/dbraw/zinc/25/21/63/325252163.db2.gz DNCMOBBALGCSAS-PXNSSMCTSA-N 1 3 358.530 2.416 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000085390838 325252168 /nfs/dbraw/zinc/25/21/68/325252168.db2.gz DNCMOBBALGCSAS-PXNSSMCTSA-N 1 3 358.530 2.416 20 0 FEADHO CCN(Cc1ccccc1)C(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000089269402 325308933 /nfs/dbraw/zinc/30/89/33/325308933.db2.gz XIXLEMGOYMFGCK-IBGZPJMESA-N 1 3 374.573 2.381 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccnc(OC4CCC4)c3)CC2)CC1 ZINC000090039948 325352370 /nfs/dbraw/zinc/35/23/70/325352370.db2.gz ZVUOSLXNTVVVDT-UHFFFAOYSA-N 1 3 372.513 2.301 20 0 FEADHO CN(CCC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841289 326107101 /nfs/dbraw/zinc/10/71/01/326107101.db2.gz MAVROVKDNNLGSW-SFHVURJKSA-N 1 3 374.529 2.125 20 0 FEADHO CN(CCC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841289 326107102 /nfs/dbraw/zinc/10/71/02/326107102.db2.gz MAVROVKDNNLGSW-SFHVURJKSA-N 1 3 374.529 2.125 20 0 FEADHO C([C@@H]1CCOC1)N(CC1(C[N@H+](C[C@@H]2CCOC2)C2CC2)COC1)C1CC1 ZINC000119336210 326150954 /nfs/dbraw/zinc/15/09/54/326150954.db2.gz NATFKFXSEXUEMN-ROUUACIJSA-N 1 3 364.530 2.005 20 0 FEADHO C([C@@H]1CCOC1)N(CC1(C[N@@H+](C[C@@H]2CCOC2)C2CC2)COC1)C1CC1 ZINC000119336210 326150955 /nfs/dbraw/zinc/15/09/55/326150955.db2.gz NATFKFXSEXUEMN-ROUUACIJSA-N 1 3 364.530 2.005 20 0 FEADHO C[C@@H](NC(=O)NCc1cccc(OCCN(C)C)c1)C(C)(C)C[NH+](C)C ZINC000119397683 326158166 /nfs/dbraw/zinc/15/81/66/326158166.db2.gz ACCMXMWXHAGYBE-MRXNPFEDSA-N 1 3 364.534 2.403 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)C(=O)NCC)CC1 ZINC000120878831 326295580 /nfs/dbraw/zinc/29/55/80/326295580.db2.gz HPHDYFAFMOSFNC-UHFFFAOYSA-N 1 3 360.546 2.471 20 0 FEADHO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(CO)c1 ZINC000121651273 326354961 /nfs/dbraw/zinc/35/49/61/326354961.db2.gz UTLGQJPXUSDCTJ-MRXNPFEDSA-N 1 3 355.482 2.321 20 0 FEADHO C[C@H](CNC(=O)NCc1cccc(OCCN(C)C)c1)C[NH+]1CCCC1 ZINC000121955417 326377943 /nfs/dbraw/zinc/37/79/43/326377943.db2.gz ILQQDTQLHCXHKK-QGZVFWFLSA-N 1 3 362.518 2.158 20 0 FEADHO CC(C)[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1CCCCC1 ZINC000122039519 326381639 /nfs/dbraw/zinc/38/16/39/326381639.db2.gz GAZNKGUCEFBPEO-SLFFLAALSA-N 1 3 365.562 2.381 20 0 FEADHO C[C@@H](C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1)N1CCCCCC1 ZINC000126722167 326494045 /nfs/dbraw/zinc/49/40/45/326494045.db2.gz ITUJTUXNBKSBTQ-FUHWJXTLSA-N 1 3 363.502 2.191 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1ccccc1 ZINC000128543482 326525595 /nfs/dbraw/zinc/52/55/95/326525595.db2.gz LBFCWDNEFZKJDP-HSALFYBXSA-N 1 3 369.513 2.376 20 0 FEADHO COc1ccc([C@H](CNC(=O)[C@H]2CC23CC[NH2+]CC3)N2CCCC2)cc1 ZINC000137165722 326658545 /nfs/dbraw/zinc/65/85/45/326658545.db2.gz ZMJYGKLVRUZFRE-MOPGFXCFSA-N 1 3 357.498 2.338 20 0 FEADHO CC(C)C[C@](C)(C[NH3+])NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000157394384 326864172 /nfs/dbraw/zinc/86/41/72/326864172.db2.gz RSSMKZSRNXMRKD-OAQYLSRUSA-N 1 3 360.546 2.469 20 0 FEADHO CSCC[C@@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000158207685 326888707 /nfs/dbraw/zinc/88/87/07/326888707.db2.gz NZRVWVQIWPHQER-QGZVFWFLSA-N 1 3 350.532 2.236 20 0 FEADHO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000163292523 327047840 /nfs/dbraw/zinc/04/78/40/327047840.db2.gz FBOSYKCMZOOYRM-NRFANRHFSA-N 1 3 373.541 2.447 20 0 FEADHO C[C@H]1CN(CCCCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)C[C@H](C)O1 ZINC000165564598 327078409 /nfs/dbraw/zinc/07/84/09/327078409.db2.gz MLKXAKTZUXYALR-OALUTQOASA-N 1 3 373.541 2.313 20 0 FEADHO C[C@H](C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@H](N)c1ccccc1 ZINC000166609900 327082533 /nfs/dbraw/zinc/08/25/33/327082533.db2.gz CLJATTQVFHXHAF-BNDYYXHWSA-N 1 3 372.557 2.340 20 0 FEADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000167415882 327084946 /nfs/dbraw/zinc/08/49/46/327084946.db2.gz KGQYLZHJDMMWGO-HLAWJBBLSA-N 1 3 371.525 2.180 20 0 FEADHO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168894746 327087592 /nfs/dbraw/zinc/08/75/92/327087592.db2.gz QGULQHBMUUKOCD-UWJYYQICSA-N 1 3 363.521 2.429 20 0 FEADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cnc2ccsc2c1 ZINC000168946135 327087858 /nfs/dbraw/zinc/08/78/58/327087858.db2.gz FASKWBQTUGIHNC-MRXNPFEDSA-N 1 3 362.543 2.337 20 0 FEADHO O=C(C[C@H]1CCC[NH2+]1)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000169225300 327088061 /nfs/dbraw/zinc/08/80/61/327088061.db2.gz VSHMCARWAORDHX-QGZVFWFLSA-N 1 3 365.905 2.442 20 0 FEADHO O=C(CN1CC[C@@H](N2CCCC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170740181 327095970 /nfs/dbraw/zinc/09/59/70/327095970.db2.gz WIDPFXQXTJDEDF-OAQYLSRUSA-N 1 3 370.541 2.069 20 0 FEADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@H]1CCCOC1 ZINC000171636917 327150368 /nfs/dbraw/zinc/15/03/68/327150368.db2.gz HJSKZJHEOMWOGX-HXUWFJFHSA-N 1 3 359.514 2.257 20 0 FEADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)C1 ZINC000173922553 327294900 /nfs/dbraw/zinc/29/49/00/327294900.db2.gz YEOXMCSBKIKWQW-INIZCTEOSA-N 1 3 372.513 2.181 20 0 FEADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)C1 ZINC000173922553 327294902 /nfs/dbraw/zinc/29/49/02/327294902.db2.gz YEOXMCSBKIKWQW-INIZCTEOSA-N 1 3 372.513 2.181 20 0 FEADHO CN(C)CCn1ccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000173942090 327296375 /nfs/dbraw/zinc/29/63/75/327296375.db2.gz GHNDGNOGVXELQD-UHFFFAOYSA-N 1 3 370.501 2.362 20 0 FEADHO O[C@@H](COc1ccccc1F)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173953269 327297476 /nfs/dbraw/zinc/29/74/76/327297476.db2.gz WKXZODRLWHHUHR-QGZVFWFLSA-N 1 3 366.477 2.142 20 0 FEADHO C[C@@H]([NH3+])C1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000178815410 327608956 /nfs/dbraw/zinc/60/89/56/327608956.db2.gz VAOCTBLDVROTMI-GOSISDBHSA-N 1 3 358.530 2.175 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261632376 328807176 /nfs/dbraw/zinc/80/71/76/328807176.db2.gz DAUROPBODNWIFN-JQVVWYNYSA-N 1 3 371.525 2.300 20 0 FEADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262811038 328891608 /nfs/dbraw/zinc/89/16/08/328891608.db2.gz QFSXIHUCIGERPW-UYAOXDASSA-N 1 3 367.497 2.375 20 0 FEADHO COCCN(CCN(C)C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000264238954 329003577 /nfs/dbraw/zinc/00/35/77/329003577.db2.gz GUDGFTIGNAYRAK-UHFFFAOYSA-N 1 3 362.518 2.002 20 0 FEADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2c(OC)cccc2OC)CC1 ZINC000264646448 329044004 /nfs/dbraw/zinc/04/40/04/329044004.db2.gz WZDLBBZPTSRXTC-QGZVFWFLSA-N 1 3 366.502 2.250 20 0 FEADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2c(OC)cccc2OC)CC1 ZINC000264646448 329044005 /nfs/dbraw/zinc/04/40/05/329044005.db2.gz WZDLBBZPTSRXTC-QGZVFWFLSA-N 1 3 366.502 2.250 20 0 FEADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCCCN2CCC(O)CC2)cc1 ZINC000265457112 329129051 /nfs/dbraw/zinc/12/90/51/329129051.db2.gz ALMBXFMRZLFHLR-UHFFFAOYSA-N 1 3 361.530 2.495 20 0 FEADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCCN2CCC(O)CC2)cc1 ZINC000265457112 329129052 /nfs/dbraw/zinc/12/90/52/329129052.db2.gz ALMBXFMRZLFHLR-UHFFFAOYSA-N 1 3 361.530 2.495 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](COC)c1ccco1 ZINC000266924290 329273219 /nfs/dbraw/zinc/27/32/19/329273219.db2.gz FRHLUEFYHSLBNM-IAGOWNOFSA-N 1 3 366.506 2.025 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](COC)c1ccco1 ZINC000266924290 329273221 /nfs/dbraw/zinc/27/32/21/329273221.db2.gz FRHLUEFYHSLBNM-IAGOWNOFSA-N 1 3 366.506 2.025 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000267182169 329300218 /nfs/dbraw/zinc/30/02/18/329300218.db2.gz BVFMRVFYLUYLRD-UNMCSNQZSA-N 1 3 374.573 2.066 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000267182167 329300228 /nfs/dbraw/zinc/30/02/28/329300228.db2.gz BVFMRVFYLUYLRD-RBBKRZOGSA-N 1 3 374.573 2.066 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H]3C[NH+](C)C)cc2)CC1 ZINC000267534122 329336073 /nfs/dbraw/zinc/33/60/73/329336073.db2.gz RRGMGZKQXLLFQU-FQEVSTJZSA-N 1 3 358.530 2.383 20 0 FEADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1Cl ZINC000268981653 329474871 /nfs/dbraw/zinc/47/48/71/329474871.db2.gz KOZQCYYIENYBHW-AWEZNQCLSA-N 1 3 353.894 2.412 20 0 FEADHO CS[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1N(C)C ZINC000270533055 329608161 /nfs/dbraw/zinc/60/81/61/329608161.db2.gz VWFWQMDBHHXMNS-OALUTQOASA-N 1 3 361.555 2.403 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)NC2CCN(CCc3ccncc3)CC2)CC[N@@H+]1C ZINC000361441760 330203844 /nfs/dbraw/zinc/20/38/44/330203844.db2.gz VJWQHLARDGMCLW-PXNSSMCTSA-N 1 3 373.545 2.213 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)NC2CCN(CCc3ccncc3)CC2)CC[N@H+]1C ZINC000361441760 330203846 /nfs/dbraw/zinc/20/38/46/330203846.db2.gz VJWQHLARDGMCLW-PXNSSMCTSA-N 1 3 373.545 2.213 20 0 FEADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000367030104 330209023 /nfs/dbraw/zinc/20/90/23/330209023.db2.gz OXSHYPFORANCIU-NHCUHLMSSA-N 1 3 371.525 2.248 20 0 FEADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000367030104 330209025 /nfs/dbraw/zinc/20/90/25/330209025.db2.gz OXSHYPFORANCIU-NHCUHLMSSA-N 1 3 371.525 2.248 20 0 FEADHO Cn1c(Cl)cnc1CNCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000367093349 330216026 /nfs/dbraw/zinc/21/60/26/330216026.db2.gz KHAYAKGCFSRPBM-UHFFFAOYSA-N 1 3 353.942 2.359 20 0 FEADHO OC(CN[C@@H]1CCCC12CCOCC2)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000367104891 330217346 /nfs/dbraw/zinc/21/73/46/330217346.db2.gz BLTXLQUPESKCGN-RTBURBONSA-N 1 3 366.546 2.225 20 0 FEADHO C[NH+](C)CC1(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCC1 ZINC000367194006 330228254 /nfs/dbraw/zinc/22/82/54/330228254.db2.gz IQXYFECISOVOFX-IBGZPJMESA-N 1 3 374.529 2.061 20 0 FEADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](c2n[nH]cc2CN2CCCC2)C1 ZINC000367269515 330238947 /nfs/dbraw/zinc/23/89/47/330238947.db2.gz IAJMWPGLBLXOFX-IEBWSBKVSA-N 1 3 371.529 2.053 20 0 FEADHO Cc1cc(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)ccc1CN(C)C ZINC000411389104 330256957 /nfs/dbraw/zinc/25/69/57/330256957.db2.gz NUUIXWZYKFSWNP-INIZCTEOSA-N 1 3 374.529 2.184 20 0 FEADHO CC(C)N1CC[C@H](N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1=O ZINC000246098442 517443580 /nfs/dbraw/zinc/44/35/80/517443580.db2.gz APWSZXVUUQYJEZ-LMMKCTJWSA-N 1 3 351.535 2.207 20 0 FEADHO CC1CCN(C[C@H](O)CNC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000161621018 546131574 /nfs/dbraw/zinc/13/15/74/546131574.db2.gz UAJLBFYFOVCMQN-LJQANCHMSA-N 1 3 368.566 2.035 20 0 FEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C1 ZINC000176097569 546406354 /nfs/dbraw/zinc/40/63/54/546406354.db2.gz SULKLMGNYHFGMX-GOSISDBHSA-N 1 3 374.529 2.185 20 0 FEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C1 ZINC000176097569 546406357 /nfs/dbraw/zinc/40/63/57/546406357.db2.gz SULKLMGNYHFGMX-GOSISDBHSA-N 1 3 374.529 2.185 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3c(F)cccc3F)CC2)CC1 ZINC000176133730 546411735 /nfs/dbraw/zinc/41/17/35/546411735.db2.gz RLHPLJZPOIGWRN-UHFFFAOYSA-N 1 3 351.441 2.182 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000176620111 546468572 /nfs/dbraw/zinc/46/85/72/546468572.db2.gz UQJAFICWUFQEKZ-IBGZPJMESA-N 1 3 368.566 2.392 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000176620111 546468574 /nfs/dbraw/zinc/46/85/74/546468574.db2.gz UQJAFICWUFQEKZ-IBGZPJMESA-N 1 3 368.566 2.392 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NCCNC(=O)c2cccc(C)c2)[C@@H](C)C1 ZINC000480913032 561220048 /nfs/dbraw/zinc/22/00/48/561220048.db2.gz SYJABTJRJDAZSZ-AZUAARDMSA-N 1 3 361.530 2.451 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NCCNC(=O)c2cccc(C)c2)[C@@H](C)C1 ZINC000480913032 561220049 /nfs/dbraw/zinc/22/00/49/561220049.db2.gz SYJABTJRJDAZSZ-AZUAARDMSA-N 1 3 361.530 2.451 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)c1 ZINC000177453383 546621724 /nfs/dbraw/zinc/62/17/24/546621724.db2.gz XSPLUEJRIXTYGF-UXHICEINSA-N 1 3 372.557 2.496 20 0 FEADHO CN(C)[C@]1(CNC(=O)NCC2([NH+](C)C)CCCCCC2)CCSC1 ZINC000481243129 561228822 /nfs/dbraw/zinc/22/88/22/561228822.db2.gz SLCPGCGFBAPAEV-SFHVURJKSA-N 1 3 356.580 2.378 20 0 FEADHO CCN1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000481181059 561227146 /nfs/dbraw/zinc/22/71/46/561227146.db2.gz YNNDZXQXYIAQLM-IRFCIJBXSA-N 1 3 372.557 2.039 20 0 FEADHO CCN1CCN(C(=O)[C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000481181059 561227147 /nfs/dbraw/zinc/22/71/47/561227147.db2.gz YNNDZXQXYIAQLM-IRFCIJBXSA-N 1 3 372.557 2.039 20 0 FEADHO CCN1CCN(C(=O)[C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000481181059 561227148 /nfs/dbraw/zinc/22/71/48/561227148.db2.gz YNNDZXQXYIAQLM-IRFCIJBXSA-N 1 3 372.557 2.039 20 0 FEADHO CN1CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)[C@@H]1c1ccccc1 ZINC000179486926 546963195 /nfs/dbraw/zinc/96/31/95/546963195.db2.gz PZJXBTLCVHWDTK-ZCNNSNEGSA-N 1 3 374.529 2.184 20 0 FEADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)Nc3cccnc3)CC2)C[C@H](C)O1 ZINC000483569113 561279862 /nfs/dbraw/zinc/27/98/62/561279862.db2.gz SWTDDOIUWHZSEL-CALCHBBNSA-N 1 3 360.502 2.231 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000183412496 547654073 /nfs/dbraw/zinc/65/40/73/547654073.db2.gz VDHHMOKGWJXSPG-GJZGRUSLSA-N 1 3 359.470 2.264 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000183412496 547654078 /nfs/dbraw/zinc/65/40/78/547654078.db2.gz VDHHMOKGWJXSPG-GJZGRUSLSA-N 1 3 359.470 2.264 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCc1cccnc1 ZINC000184750080 547874593 /nfs/dbraw/zinc/87/45/93/547874593.db2.gz PDQXBEJCJNUCLK-QZTJIDSGSA-N 1 3 366.509 2.444 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000185585386 548005459 /nfs/dbraw/zinc/00/54/59/548005459.db2.gz VYGNMDUGMPZCGH-INIZCTEOSA-N 1 3 359.518 2.343 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000185585386 548005464 /nfs/dbraw/zinc/00/54/64/548005464.db2.gz VYGNMDUGMPZCGH-INIZCTEOSA-N 1 3 359.518 2.343 20 0 FEADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000486023229 561335676 /nfs/dbraw/zinc/33/56/76/561335676.db2.gz OLGANQKZUVJPQR-HXUWFJFHSA-N 1 3 372.557 2.041 20 0 FEADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000486023229 561335677 /nfs/dbraw/zinc/33/56/77/561335677.db2.gz OLGANQKZUVJPQR-HXUWFJFHSA-N 1 3 372.557 2.041 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN1C1CCOCC1 ZINC000194750050 548525833 /nfs/dbraw/zinc/52/58/33/548525833.db2.gz CPTWYIDHQAXFPN-FPOVZHCZSA-N 1 3 371.525 2.268 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN1C1CCOCC1 ZINC000194750050 548525838 /nfs/dbraw/zinc/52/58/38/548525838.db2.gz CPTWYIDHQAXFPN-FPOVZHCZSA-N 1 3 371.525 2.268 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)NC[C@H]1CCCN1C ZINC000195127308 548580895 /nfs/dbraw/zinc/58/08/95/548580895.db2.gz UNADTJPOKRYIQP-GOSISDBHSA-N 1 3 362.518 2.301 20 0 FEADHO CC[NH+](CC)CCSCC(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000487114039 561364097 /nfs/dbraw/zinc/36/40/97/561364097.db2.gz PLHXMTKFCYQVRB-JKSUJKDBSA-N 1 3 359.605 2.100 20 0 FEADHO CCC(CC)(C[NH3+])C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000236639653 548770223 /nfs/dbraw/zinc/77/02/23/548770223.db2.gz UAPRQSSANBHEAF-IRXDYDNUSA-N 1 3 353.551 2.489 20 0 FEADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000236846868 548783170 /nfs/dbraw/zinc/78/31/70/548783170.db2.gz WIOPBZAGVNLOCB-LJQANCHMSA-N 1 3 356.514 2.152 20 0 FEADHO C[C@]1(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000237540827 548833486 /nfs/dbraw/zinc/83/34/86/548833486.db2.gz PMAJUVGLFJKARV-IBGZPJMESA-N 1 3 365.905 2.299 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000245929522 549022088 /nfs/dbraw/zinc/02/20/88/549022088.db2.gz PKUVMVVRZHJRPI-ROUUACIJSA-N 1 3 361.534 2.275 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000245929522 549022093 /nfs/dbraw/zinc/02/20/93/549022093.db2.gz PKUVMVVRZHJRPI-ROUUACIJSA-N 1 3 361.534 2.275 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000246042169 549041258 /nfs/dbraw/zinc/04/12/58/549041258.db2.gz XGDAMXQPOFQPTG-SJORKVTESA-N 1 3 368.566 2.390 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000246042169 549041262 /nfs/dbraw/zinc/04/12/62/549041262.db2.gz XGDAMXQPOFQPTG-SJORKVTESA-N 1 3 368.566 2.390 20 0 FEADHO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C2)C1 ZINC000488394473 561389123 /nfs/dbraw/zinc/38/91/23/561389123.db2.gz FZDOFMQMRCOIKI-FPOVZHCZSA-N 1 3 356.514 2.388 20 0 FEADHO C[N@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C2)C1 ZINC000488394473 561389124 /nfs/dbraw/zinc/38/91/24/561389124.db2.gz FZDOFMQMRCOIKI-FPOVZHCZSA-N 1 3 356.514 2.388 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247341238 549321598 /nfs/dbraw/zinc/32/15/98/549321598.db2.gz XOAJIFFNRYOHMF-RBUKOAKNSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247341238 549321600 /nfs/dbraw/zinc/32/16/00/549321600.db2.gz XOAJIFFNRYOHMF-RBUKOAKNSA-N 1 3 374.529 2.253 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000489601395 561415124 /nfs/dbraw/zinc/41/51/24/561415124.db2.gz CNHKUBNVZXAWID-QZTJIDSGSA-N 1 3 350.551 2.480 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000489601395 561415125 /nfs/dbraw/zinc/41/51/25/561415125.db2.gz CNHKUBNVZXAWID-QZTJIDSGSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@@H](C)C1 ZINC000489757683 561418392 /nfs/dbraw/zinc/41/83/92/561418392.db2.gz UKTCJSJWCDXZDO-XUVGJJBRSA-N 1 3 350.551 2.479 20 0 FEADHO C([C@H]1CCOC1)N(CC1(C[N@H+](C[C@H]2CCOC2)C2CC2)COC1)C1CC1 ZINC000252735531 549678424 /nfs/dbraw/zinc/67/84/24/549678424.db2.gz NATFKFXSEXUEMN-QZTJIDSGSA-N 1 3 364.530 2.005 20 0 FEADHO C([C@H]1CCOC1)N(CC1(C[N@@H+](C[C@H]2CCOC2)C2CC2)COC1)C1CC1 ZINC000252735531 549678428 /nfs/dbraw/zinc/67/84/28/549678428.db2.gz NATFKFXSEXUEMN-QZTJIDSGSA-N 1 3 364.530 2.005 20 0 FEADHO CN1CCN(CCCNC(=O)C2([NH3+])CCCCC2)[C@@H](c2ccccc2)C1 ZINC000262200217 549798122 /nfs/dbraw/zinc/79/81/22/549798122.db2.gz VYLYUAVDYXXHNS-LJQANCHMSA-N 1 3 358.530 2.143 20 0 FEADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)CCCCCC[NH3+])cc2)C1 ZINC000262624649 549833054 /nfs/dbraw/zinc/83/30/54/549833054.db2.gz BALWSWWYYBKUCE-QGZVFWFLSA-N 1 3 360.502 2.232 20 0 FEADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000262656640 549835901 /nfs/dbraw/zinc/83/59/01/549835901.db2.gz UQHBUYOGIBBPRK-IHWFROFDSA-N 1 3 371.525 2.180 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1(C)C ZINC000262789027 549849725 /nfs/dbraw/zinc/84/97/25/549849725.db2.gz NJBSIGXBGLWAAA-JQVVWYNYSA-N 1 3 373.541 2.200 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1(C)C ZINC000262789027 549849727 /nfs/dbraw/zinc/84/97/27/549849727.db2.gz NJBSIGXBGLWAAA-JQVVWYNYSA-N 1 3 373.541 2.200 20 0 FEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262850195 549855564 /nfs/dbraw/zinc/85/55/64/549855564.db2.gz VDWMYQQDSWKMLX-SJLPKXTDSA-N 1 3 355.486 2.058 20 0 FEADHO COc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1Cn1cccn1 ZINC000268849356 550123333 /nfs/dbraw/zinc/12/33/33/550123333.db2.gz PLVLEYQNKMHSLM-QFBILLFUSA-N 1 3 358.486 2.047 20 0 FEADHO CC[C@@H](C)[C@@H]1CN(CCn2ccnc2C)CC[N@@H+]1CCn1ccnc1C ZINC000270848970 550313805 /nfs/dbraw/zinc/31/38/05/550313805.db2.gz HNKUIDAVILGJDF-XLIONFOSSA-N 1 3 358.534 2.429 20 0 FEADHO CC[C@@H](C)[C@@H]1CN(CCn2ccnc2C)CC[N@H+]1CCn1ccnc1C ZINC000270848970 550313808 /nfs/dbraw/zinc/31/38/08/550313808.db2.gz HNKUIDAVILGJDF-XLIONFOSSA-N 1 3 358.534 2.429 20 0 FEADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271864580 550407493 /nfs/dbraw/zinc/40/74/93/550407493.db2.gz OXIONUUBGZPTID-HOTGVXAUSA-N 1 3 353.532 2.497 20 0 FEADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271864580 550407495 /nfs/dbraw/zinc/40/74/95/550407495.db2.gz OXIONUUBGZPTID-HOTGVXAUSA-N 1 3 353.532 2.497 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)[C@@H]2C1 ZINC000272347095 550439735 /nfs/dbraw/zinc/43/97/35/550439735.db2.gz NWADIWIYKZZIOJ-NJDAHSKKSA-N 1 3 370.541 2.287 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)[C@@H]2C1 ZINC000272347095 550439737 /nfs/dbraw/zinc/43/97/37/550439737.db2.gz NWADIWIYKZZIOJ-NJDAHSKKSA-N 1 3 370.541 2.287 20 0 FEADHO CC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)N(CC)CC ZINC000273221392 550490147 /nfs/dbraw/zinc/49/01/47/550490147.db2.gz VJZMAMRHKRARAN-PMACEKPBSA-N 1 3 361.530 2.380 20 0 FEADHO CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)N(CC)CC ZINC000273221392 550490148 /nfs/dbraw/zinc/49/01/48/550490148.db2.gz VJZMAMRHKRARAN-PMACEKPBSA-N 1 3 361.530 2.380 20 0 FEADHO CC[C@@H]1CN(C(=O)CCN2CC[NH+](CC)CC2)CCN1Cc1ccccc1 ZINC000274210026 550527849 /nfs/dbraw/zinc/52/78/49/550527849.db2.gz NGBVUGTUZPPQSZ-OAQYLSRUSA-N 1 3 372.557 2.137 20 0 FEADHO C[C@H](C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)CN1CCN(C)CC1 ZINC000274950325 550566772 /nfs/dbraw/zinc/56/67/72/550566772.db2.gz VAKKBUHBYJOHSM-SJBKTWHCSA-N 1 3 358.574 2.370 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000494712281 561474949 /nfs/dbraw/zinc/47/49/49/561474949.db2.gz DSBGXJWNZGDPFJ-FQEVSTJZSA-N 1 3 374.529 2.186 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000494712281 561474950 /nfs/dbraw/zinc/47/49/50/561474950.db2.gz DSBGXJWNZGDPFJ-FQEVSTJZSA-N 1 3 374.529 2.186 20 0 FEADHO CCC[NH+]1CCC(CNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC000494896175 561478876 /nfs/dbraw/zinc/47/88/76/561478876.db2.gz VJFZUVWETLCMJG-QGZVFWFLSA-N 1 3 366.550 2.003 20 0 FEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000495148593 561483077 /nfs/dbraw/zinc/48/30/77/561483077.db2.gz OGTKXAOMHDHBMW-INIZCTEOSA-N 1 3 354.539 2.049 20 0 FEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000495148593 561483078 /nfs/dbraw/zinc/48/30/78/561483078.db2.gz OGTKXAOMHDHBMW-INIZCTEOSA-N 1 3 354.539 2.049 20 0 FEADHO CN(C)CCn1ncc(C(=O)NCC(C)(C)[NH+](C)C)c1-c1ccccc1 ZINC000278724509 550815117 /nfs/dbraw/zinc/81/51/17/550815117.db2.gz TVUUQAGKHHAHGT-UHFFFAOYSA-N 1 3 357.502 2.182 20 0 FEADHO CC[C@]1(O)CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000495232568 561485118 /nfs/dbraw/zinc/48/51/18/561485118.db2.gz MAUBZZZMTLSBIO-UTKZUKDTSA-N 1 3 359.514 2.003 20 0 FEADHO Cc1nc2ccc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc2o1 ZINC000279580148 550905014 /nfs/dbraw/zinc/90/50/14/550905014.db2.gz QMEDFCLKWSHMMM-UHFFFAOYSA-N 1 3 356.470 2.425 20 0 FEADHO CN(c1ccccc1CN1CC[C@@H]2NC(=O)OC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000281246611 551077815 /nfs/dbraw/zinc/07/78/15/551077815.db2.gz MHFJYMPMSVAZMI-MJGOQNOKSA-N 1 3 372.513 2.147 20 0 FEADHO CCN1CCN(CCCC[NH2+]Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000282666587 551257529 /nfs/dbraw/zinc/25/75/29/551257529.db2.gz NFSDQAILSRRVJD-UHFFFAOYSA-N 1 3 370.545 2.391 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)Cc1ccccc1 ZINC000498105049 561516087 /nfs/dbraw/zinc/51/60/87/561516087.db2.gz IJYQVXSUQYMMHN-HSALFYBXSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)Cc1ccccc1 ZINC000498105049 561516088 /nfs/dbraw/zinc/51/60/88/561516088.db2.gz IJYQVXSUQYMMHN-HSALFYBXSA-N 1 3 358.530 2.285 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000498167660 561517546 /nfs/dbraw/zinc/51/75/46/561517546.db2.gz VPLHATYOCDLBMO-IPMKNSEASA-N 1 3 353.551 2.456 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000498167660 561517547 /nfs/dbraw/zinc/51/75/47/561517547.db2.gz VPLHATYOCDLBMO-IPMKNSEASA-N 1 3 353.551 2.456 20 0 FEADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000498592311 561529860 /nfs/dbraw/zinc/52/98/60/561529860.db2.gz KWKNPJVGUNINRN-SFHVURJKSA-N 1 3 356.580 2.331 20 0 FEADHO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000285510595 551767639 /nfs/dbraw/zinc/76/76/39/551767639.db2.gz SJLJHBUGZCGYQQ-MRXNPFEDSA-N 1 3 362.518 2.299 20 0 FEADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000286560239 551900039 /nfs/dbraw/zinc/90/00/39/551900039.db2.gz XSPKSEQHUFGHSK-OALUTQOASA-N 1 3 360.502 2.465 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[N@H+](C)CC[C@@H]3C)c2)CC1 ZINC000499170492 561545097 /nfs/dbraw/zinc/54/50/97/561545097.db2.gz QKMOIKIEBZQJOH-KRWDZBQOSA-N 1 3 359.518 2.386 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[N@@H+](C)CC[C@@H]3C)c2)CC1 ZINC000499170492 561545098 /nfs/dbraw/zinc/54/50/98/561545098.db2.gz QKMOIKIEBZQJOH-KRWDZBQOSA-N 1 3 359.518 2.386 20 0 FEADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000286955952 551944440 /nfs/dbraw/zinc/94/44/40/551944440.db2.gz DEPGERGGYMDPPB-PXNSSMCTSA-N 1 3 374.529 2.395 20 0 FEADHO CC[NH+](CC)CCNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000287281210 551984635 /nfs/dbraw/zinc/98/46/35/551984635.db2.gz LXFUXDQDGSJCMU-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000287913330 552062270 /nfs/dbraw/zinc/06/22/70/552062270.db2.gz VPQCZOYESVQTHH-IBGZPJMESA-N 1 3 353.938 2.201 20 0 FEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000287913330 552062271 /nfs/dbraw/zinc/06/22/71/552062271.db2.gz VPQCZOYESVQTHH-IBGZPJMESA-N 1 3 353.938 2.201 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1cccnc1 ZINC000289449860 552323756 /nfs/dbraw/zinc/32/37/56/552323756.db2.gz NALBNFIFSMMONK-LJQANCHMSA-N 1 3 356.518 2.320 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1cccnc1 ZINC000289449860 552323758 /nfs/dbraw/zinc/32/37/58/552323758.db2.gz NALBNFIFSMMONK-LJQANCHMSA-N 1 3 356.518 2.320 20 0 FEADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000290274276 552452297 /nfs/dbraw/zinc/45/22/97/552452297.db2.gz YTWYFPQXHGKMPN-VQTJNVASSA-N 1 3 359.514 2.464 20 0 FEADHO CC(C)(COCc1ccccc1)NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000500959592 561586480 /nfs/dbraw/zinc/58/64/80/561586480.db2.gz VXHKUCNKGVVLSL-UHFFFAOYSA-N 1 3 359.514 2.314 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000501428742 561597352 /nfs/dbraw/zinc/59/73/52/561597352.db2.gz ZDHAGWLDAHZYAD-FPOVZHCZSA-N 1 3 360.546 2.088 20 0 FEADHO COC(=O)c1cc([C@H](C)N(C)CCN(C)C2CC[NH+](C)CC2)oc1C ZINC000292978106 552776881 /nfs/dbraw/zinc/77/68/81/552776881.db2.gz QRMLZWFLNFVGPX-AWEZNQCLSA-N 1 3 351.491 2.393 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000501648221 561602729 /nfs/dbraw/zinc/60/27/29/561602729.db2.gz GQEWQUYXWVBIDF-QZTJIDSGSA-N 1 3 353.551 2.456 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000501648221 561602730 /nfs/dbraw/zinc/60/27/30/561602730.db2.gz GQEWQUYXWVBIDF-QZTJIDSGSA-N 1 3 353.551 2.456 20 0 FEADHO CCC[NH2+][C@H](C)C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000294927298 552944700 /nfs/dbraw/zinc/94/47/00/552944700.db2.gz CZWLACIRAXIGEM-CQSZACIVSA-N 1 3 361.490 2.229 20 0 FEADHO C[C@@H](O)[C@@H]1CCN(Cc2cc(C[N@H+]3CC[C@@H]([C@H](C)O)C3)ccc2F)C1 ZINC000295065853 552955551 /nfs/dbraw/zinc/95/55/51/552955551.db2.gz VVSYKHLAYQSXAV-BURFUSLBSA-N 1 3 350.478 2.231 20 0 FEADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCCN(CCCO)C2)cc1 ZINC000295326207 552987602 /nfs/dbraw/zinc/98/76/02/552987602.db2.gz CVHTWVXKHSTGAE-FQEVSTJZSA-N 1 3 361.530 2.495 20 0 FEADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCCN(CCCO)C2)cc1 ZINC000295326207 552987603 /nfs/dbraw/zinc/98/76/03/552987603.db2.gz CVHTWVXKHSTGAE-FQEVSTJZSA-N 1 3 361.530 2.495 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H](C)[NH2+]C3CC3)CC2)c1 ZINC000296523506 553173630 /nfs/dbraw/zinc/17/36/30/553173630.db2.gz SDUJUVVDESDDJI-SFHVURJKSA-N 1 3 358.530 2.154 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H]2CCC[C@H]2CCO)CC1 ZINC000502854382 561627797 /nfs/dbraw/zinc/62/77/97/561627797.db2.gz FKLOEKCFKMARBZ-RXVVDRJESA-N 1 3 373.541 2.216 20 0 FEADHO C[C@H](CCNC(=O)Nc1ccnn1CCN(C)C)[N@H+](C)Cc1ccccc1 ZINC000297585464 553312144 /nfs/dbraw/zinc/31/21/44/553312144.db2.gz YYNODUYLWWVVSH-QGZVFWFLSA-N 1 3 372.517 2.477 20 0 FEADHO C[C@H](CCNC(=O)Nc1ccnn1CCN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000297585464 553312145 /nfs/dbraw/zinc/31/21/45/553312145.db2.gz YYNODUYLWWVVSH-QGZVFWFLSA-N 1 3 372.517 2.477 20 0 FEADHO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298085779 553381963 /nfs/dbraw/zinc/38/19/63/553381963.db2.gz MEYLTDJLEGFXDK-GOSISDBHSA-N 1 3 357.502 2.320 20 0 FEADHO O=C(N1CCCC1)N1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298085782 553382152 /nfs/dbraw/zinc/38/21/52/553382152.db2.gz MEYLTDJLEGFXDK-SFHVURJKSA-N 1 3 357.502 2.320 20 0 FEADHO COCC[N@H+](C)CCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000298593298 553445950 /nfs/dbraw/zinc/44/59/50/553445950.db2.gz VEJULAZMSDOHLS-MRXNPFEDSA-N 1 3 368.547 2.153 20 0 FEADHO COCC[N@@H+](C)CCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000298593298 553445953 /nfs/dbraw/zinc/44/59/53/553445953.db2.gz VEJULAZMSDOHLS-MRXNPFEDSA-N 1 3 368.547 2.153 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1noc2ccccc21 ZINC000299729232 553608511 /nfs/dbraw/zinc/60/85/11/553608511.db2.gz VSIRYUYMTIVGPP-MRXNPFEDSA-N 1 3 358.486 2.245 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1noc2ccccc21 ZINC000299729232 553608512 /nfs/dbraw/zinc/60/85/12/553608512.db2.gz VSIRYUYMTIVGPP-MRXNPFEDSA-N 1 3 358.486 2.245 20 0 FEADHO Cc1cnc(N(C)C[C@H]2CCCN(C)C2)nc1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000301572719 553661846 /nfs/dbraw/zinc/66/18/46/553661846.db2.gz ORUGUAHWQIIKBQ-MOPGFXCFSA-N 1 3 374.577 2.341 20 0 FEADHO Cc1cnc(N(C)C[C@H]2CCCN(C)C2)nc1N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000301572719 553661848 /nfs/dbraw/zinc/66/18/48/553661848.db2.gz ORUGUAHWQIIKBQ-MOPGFXCFSA-N 1 3 374.577 2.341 20 0 FEADHO CC[NH+]1CCC(NC(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000504971707 561664749 /nfs/dbraw/zinc/66/47/49/561664749.db2.gz VUKYKAABNLXBCJ-UHFFFAOYSA-N 1 3 354.564 2.132 20 0 FEADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccc(Br)cc1 ZINC000314601967 553759795 /nfs/dbraw/zinc/75/97/95/553759795.db2.gz SNVSGMBNHMFPBR-CJNGLKHVSA-N 1 3 369.303 2.263 20 0 FEADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc(Br)cc1 ZINC000314601967 553759798 /nfs/dbraw/zinc/75/97/98/553759798.db2.gz SNVSGMBNHMFPBR-CJNGLKHVSA-N 1 3 369.303 2.263 20 0 FEADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccc(Br)cc1 ZINC000314601967 553759800 /nfs/dbraw/zinc/75/98/00/553759800.db2.gz SNVSGMBNHMFPBR-CJNGLKHVSA-N 1 3 369.303 2.263 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)n1nc(C)cc1C ZINC000505822610 561681905 /nfs/dbraw/zinc/68/19/05/561681905.db2.gz AWQCDDQEIKFYHD-OALUTQOASA-N 1 3 363.550 2.326 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)n1nc(C)cc1C ZINC000505822610 561681906 /nfs/dbraw/zinc/68/19/06/561681906.db2.gz AWQCDDQEIKFYHD-OALUTQOASA-N 1 3 363.550 2.326 20 0 FEADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H]1CCCOC1 ZINC000507508560 561731207 /nfs/dbraw/zinc/73/12/07/561731207.db2.gz JNNVTBCBKYYTRB-XLIONFOSSA-N 1 3 359.514 2.417 20 0 FEADHO O=C1[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CCCN1c1cccnc1 ZINC000330133471 554070654 /nfs/dbraw/zinc/07/06/54/554070654.db2.gz RECYPCHNFJUQLM-IBGZPJMESA-N 1 3 351.454 2.231 20 0 FEADHO CN(CC1CC[NH+](C)CC1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000509827529 561815523 /nfs/dbraw/zinc/81/55/23/561815523.db2.gz PQQDBYWDWGKAEQ-UHFFFAOYSA-N 1 3 368.591 2.331 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H](C)[C@H]([NH3+])[C@@H]3C)cc2)CC1 ZINC000332410110 554441255 /nfs/dbraw/zinc/44/12/55/554441255.db2.gz ZYQDIFFLSUMVSN-ZWOKBUDYSA-N 1 3 358.530 2.415 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)N1CCCN(C)CC1)c1ccccc1 ZINC000510559538 561838903 /nfs/dbraw/zinc/83/89/03/561838903.db2.gz MVOBHBQKMHNHMJ-IBGZPJMESA-N 1 3 362.518 2.043 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)N1CCCN(C)CC1)c1ccccc1 ZINC000510559538 561838904 /nfs/dbraw/zinc/83/89/04/561838904.db2.gz MVOBHBQKMHNHMJ-IBGZPJMESA-N 1 3 362.518 2.043 20 0 FEADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000333014238 554558981 /nfs/dbraw/zinc/55/89/81/554558981.db2.gz BTQSSMCVJXOJFT-NHCUHLMSSA-N 1 3 358.530 2.408 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC(N[C@H](C)[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000333251081 554594650 /nfs/dbraw/zinc/59/46/50/554594650.db2.gz GTMXFFPTIJFRPF-VQIMIIECSA-N 1 3 365.543 2.268 20 0 FEADHO [NH2+]=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1ccc(OC(F)(F)F)cc1 ZINC000360571711 554880341 /nfs/dbraw/zinc/88/03/41/554880341.db2.gz GWMCVRFLWJQTEF-JSGCOSHPSA-N 1 3 358.364 2.385 20 0 FEADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000360616985 554882337 /nfs/dbraw/zinc/88/23/37/554882337.db2.gz DVEIGYNGRDWEPM-SLFFLAALSA-N 1 3 353.466 2.347 20 0 FEADHO C[C@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N1CCC(C)CC1 ZINC000360776907 554889258 /nfs/dbraw/zinc/88/92/58/554889258.db2.gz HYMCFTJOROWLHX-IEBWSBKVSA-N 1 3 350.551 2.480 20 0 FEADHO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2c(C)nn(C)c2N2CCCN(C)CC2)C1(C)C ZINC000361026582 554900946 /nfs/dbraw/zinc/90/09/46/554900946.db2.gz BQZJJBJTBGHCJJ-JCGIZDLHSA-N 1 3 363.550 2.020 20 0 FEADHO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2c(C)nn(C)c2N2CCCN(C)CC2)C1(C)C ZINC000361026576 554901031 /nfs/dbraw/zinc/90/10/31/554901031.db2.gz BQZJJBJTBGHCJJ-BMGDILEWSA-N 1 3 363.550 2.020 20 0 FEADHO COC[C@@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(F)c1 ZINC000361997023 554942794 /nfs/dbraw/zinc/94/27/94/554942794.db2.gz MRFOLKJSPOGFRL-DNVCBOLYSA-N 1 3 353.457 2.410 20 0 FEADHO C[C@H]1CN(CCN2CCCc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362079580 554948524 /nfs/dbraw/zinc/94/85/24/554948524.db2.gz PUPBMAHVUWIIFU-FPOVZHCZSA-N 1 3 356.558 2.397 20 0 FEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000511924196 561885711 /nfs/dbraw/zinc/88/57/11/561885711.db2.gz TZJZLPUKPQDNEB-PKOBYXMFSA-N 1 3 362.518 2.472 20 0 FEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000511924196 561885713 /nfs/dbraw/zinc/88/57/13/561885713.db2.gz TZJZLPUKPQDNEB-PKOBYXMFSA-N 1 3 362.518 2.472 20 0 FEADHO CN(Cc1nnc(C2CC2)n1C1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363670556 555160452 /nfs/dbraw/zinc/16/04/52/555160452.db2.gz HVMRSJQVYQNVFI-GOSISDBHSA-N 1 3 358.534 2.091 20 0 FEADHO C[C@@H]1C[C@@H]1N1C[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)CC1=O ZINC000363914302 555212726 /nfs/dbraw/zinc/21/27/26/555212726.db2.gz QWTGRNUHHHJILA-MMOPVJDHSA-N 1 3 370.541 2.316 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H]2CSC[C@H]2C)CC1 ZINC000512176625 561894942 /nfs/dbraw/zinc/89/49/42/561894942.db2.gz DDZMXAKLRFCKCH-APWZRJJASA-N 1 3 361.555 2.417 20 0 FEADHO C[NH+](C)CC1(CNC(=O)c2cnn(CCN3CCCCC3)c2)CCCC1 ZINC000363981241 555226667 /nfs/dbraw/zinc/22/66/67/555226667.db2.gz SZEDBCBGLISUPQ-UHFFFAOYSA-N 1 3 361.534 2.221 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000364722157 555385639 /nfs/dbraw/zinc/38/56/39/555385639.db2.gz DCHKMHZBJBCLLM-QRXRQMIZSA-N 1 3 351.535 2.003 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000364722157 555385640 /nfs/dbraw/zinc/38/56/40/555385640.db2.gz DCHKMHZBJBCLLM-QRXRQMIZSA-N 1 3 351.535 2.003 20 0 FEADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(N)Cc2ccccc2C1 ZINC000364851114 555415909 /nfs/dbraw/zinc/41/59/09/555415909.db2.gz OGCBSEDRYYWFKE-IBGZPJMESA-N 1 3 363.505 2.463 20 0 FEADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N)Cc2ccccc2C1 ZINC000364851114 555415910 /nfs/dbraw/zinc/41/59/10/555415910.db2.gz OGCBSEDRYYWFKE-IBGZPJMESA-N 1 3 363.505 2.463 20 0 FEADHO CC(C)c1nccn1CCC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365753334 555659758 /nfs/dbraw/zinc/65/97/58/555659758.db2.gz QNJMXEQAFSBLRY-SFHVURJKSA-N 1 3 361.534 2.024 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000365872698 555689134 /nfs/dbraw/zinc/68/91/34/555689134.db2.gz ATNZPMRPHUZQBZ-SQNIBIBYSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000365872698 555689136 /nfs/dbraw/zinc/68/91/36/555689136.db2.gz ATNZPMRPHUZQBZ-SQNIBIBYSA-N 1 3 366.550 2.002 20 0 FEADHO CCCN(CCN(CC)CC)C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000366747112 555924293 /nfs/dbraw/zinc/92/42/93/555924293.db2.gz UANAFJNEPRODPQ-UHFFFAOYSA-N 1 3 364.538 2.736 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)C[C@H](C)O1 ZINC000367282646 556007686 /nfs/dbraw/zinc/00/76/86/556007686.db2.gz MPHNDGFRQJYARX-SFNKJDCFSA-N 1 3 351.535 2.112 20 0 FEADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000367532967 556076029 /nfs/dbraw/zinc/07/60/29/556076029.db2.gz GJWNYNBOFIWKQW-PIKADFDJSA-N 1 3 365.543 2.460 20 0 FEADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000367532967 556076035 /nfs/dbraw/zinc/07/60/35/556076035.db2.gz GJWNYNBOFIWKQW-PIKADFDJSA-N 1 3 365.543 2.460 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000367532967 556076037 /nfs/dbraw/zinc/07/60/37/556076037.db2.gz GJWNYNBOFIWKQW-PIKADFDJSA-N 1 3 365.543 2.460 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nc4cccnc4n3C)CC2)CC1 ZINC000514797757 561980472 /nfs/dbraw/zinc/98/04/72/561980472.db2.gz ZFUYWCFBCYAYLM-UHFFFAOYSA-N 1 3 370.501 2.103 20 0 FEADHO COC(=O)c1csc([C@H](C)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367614126 556097687 /nfs/dbraw/zinc/09/76/87/556097687.db2.gz HGBBPHYOZBNVSE-ZFWWWQNUSA-N 1 3 351.516 2.354 20 0 FEADHO C[C@@H](CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)[N@H+](C)C1CC1 ZINC000369200502 556533736 /nfs/dbraw/zinc/53/37/36/556533736.db2.gz KJTSLKPUIFOIJS-FUHWJXTLSA-N 1 3 359.518 2.076 20 0 FEADHO C[C@@H](CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)[N@@H+](C)C1CC1 ZINC000369200502 556533739 /nfs/dbraw/zinc/53/37/39/556533739.db2.gz KJTSLKPUIFOIJS-FUHWJXTLSA-N 1 3 359.518 2.076 20 0 FEADHO C[C@@H](CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)C[NH+]1CCCC1 ZINC000369200172 556533996 /nfs/dbraw/zinc/53/39/96/556533996.db2.gz FWHKYPFUOYBOSC-AZUAARDMSA-N 1 3 373.545 2.325 20 0 FEADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369307621 556570171 /nfs/dbraw/zinc/57/01/71/556570171.db2.gz OIZMMURIXIHZTP-MISYRCLQSA-N 1 3 371.529 2.172 20 0 FEADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369307621 556570175 /nfs/dbraw/zinc/57/01/75/556570175.db2.gz OIZMMURIXIHZTP-MISYRCLQSA-N 1 3 371.529 2.172 20 0 FEADHO CN1CC[C@@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H]1c1cccnc1 ZINC000369645441 556656492 /nfs/dbraw/zinc/65/64/92/556656492.db2.gz CCCNQIGLTJUFPJ-ICSRJNTNSA-N 1 3 371.529 2.248 20 0 FEADHO CN1CCC(C[NH2+]Cc2ccnc3ccccc23)(N2CCOCC2)CC1 ZINC000516421930 562042569 /nfs/dbraw/zinc/04/25/69/562042569.db2.gz MENVIFLATRCFBY-UHFFFAOYSA-N 1 3 354.498 2.121 20 0 FEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C2CCN(Cc3cccnc3)CC2)C1 ZINC000370370103 556852830 /nfs/dbraw/zinc/85/28/30/556852830.db2.gz PMRYKBYYDLYMGX-IBGZPJMESA-N 1 3 358.530 2.388 20 0 FEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C2CCN(Cc3cccnc3)CC2)C1 ZINC000370370103 556852832 /nfs/dbraw/zinc/85/28/32/556852832.db2.gz PMRYKBYYDLYMGX-IBGZPJMESA-N 1 3 358.530 2.388 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C2CCN(Cc3cccnc3)CC2)C1 ZINC000370370104 556853182 /nfs/dbraw/zinc/85/31/82/556853182.db2.gz PMRYKBYYDLYMGX-LJQANCHMSA-N 1 3 358.530 2.388 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C2CCN(Cc3cccnc3)CC2)C1 ZINC000370370104 556853183 /nfs/dbraw/zinc/85/31/83/556853183.db2.gz PMRYKBYYDLYMGX-LJQANCHMSA-N 1 3 358.530 2.388 20 0 FEADHO COC1(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]CC1 ZINC000370763202 556961525 /nfs/dbraw/zinc/96/15/25/556961525.db2.gz GSXQUBBYHWFNQX-OAQYLSRUSA-N 1 3 371.525 2.270 20 0 FEADHO [NH3+]CCCOC1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000370799743 556971621 /nfs/dbraw/zinc/97/16/21/556971621.db2.gz ICQIHBNXLMDJFF-UHFFFAOYSA-N 1 3 359.514 2.255 20 0 FEADHO CN(C)CCN1CCC([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000517231157 562081235 /nfs/dbraw/zinc/08/12/35/562081235.db2.gz UEMGJGSVSBBPFD-GOSISDBHSA-N 1 3 373.463 2.224 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000517418565 562089570 /nfs/dbraw/zinc/08/95/70/562089570.db2.gz CSSFBDPZRUPEAO-IAGOWNOFSA-N 1 3 368.566 2.295 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000517418565 562089572 /nfs/dbraw/zinc/08/95/72/562089572.db2.gz CSSFBDPZRUPEAO-IAGOWNOFSA-N 1 3 368.566 2.295 20 0 FEADHO CN1CCC[C@@H](CNC(=O)COC2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000517932884 562101059 /nfs/dbraw/zinc/10/10/59/562101059.db2.gz TUTBZYTYNSBTOE-KSSFIOAISA-N 1 3 351.516 2.016 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@]12CCO[C@@H](C)C2 ZINC000371950626 557336825 /nfs/dbraw/zinc/33/68/25/557336825.db2.gz XFWCQDUQGRBIHM-DMUMMCEESA-N 1 3 351.535 2.066 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@]12CCO[C@@H](C)C2 ZINC000371950626 557336827 /nfs/dbraw/zinc/33/68/27/557336827.db2.gz XFWCQDUQGRBIHM-DMUMMCEESA-N 1 3 351.535 2.066 20 0 FEADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000372055660 557368420 /nfs/dbraw/zinc/36/84/20/557368420.db2.gz FTMAXRPFASNVJU-HOTGVXAUSA-N 1 3 371.572 2.364 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[NH2+][C@H](C)C3)c(C)c2)CC1 ZINC000520197434 562150297 /nfs/dbraw/zinc/15/02/97/562150297.db2.gz TWIYBDWRZIKGLM-IAGOWNOFSA-N 1 3 359.518 2.399 20 0 FEADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000520772176 562163364 /nfs/dbraw/zinc/16/33/64/562163364.db2.gz YAAKTRAFVBAQNQ-IHPCNDPISA-N 1 3 356.514 2.437 20 0 FEADHO O[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)COc1ccc(F)cc1 ZINC000520798579 562164058 /nfs/dbraw/zinc/16/40/58/562164058.db2.gz XFJGHPQIMSFGAK-LJQANCHMSA-N 1 3 359.445 2.467 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC4(CCCC4)C3)CC2)CC1 ZINC000520834691 562164723 /nfs/dbraw/zinc/16/47/23/562164723.db2.gz KPZGWHWGDVELEK-UHFFFAOYSA-N 1 3 363.546 2.354 20 0 FEADHO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000374191403 557841051 /nfs/dbraw/zinc/84/10/51/557841051.db2.gz AFQAQUFOUTYLIM-CTNGQTDRSA-N 1 3 358.530 2.492 20 0 FEADHO NC(=O)[N-]C(=O)OCCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000374474106 557888787 /nfs/dbraw/zinc/88/87/87/557888787.db2.gz VWOHLQQNFDPNJW-UHFFFAOYSA-N 1 3 374.485 2.170 20 0 FEADHO NC(=O)[N-]C(=O)OCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000374474106 557888788 /nfs/dbraw/zinc/88/87/88/557888788.db2.gz VWOHLQQNFDPNJW-UHFFFAOYSA-N 1 3 374.485 2.170 20 0 FEADHO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000521253308 562173044 /nfs/dbraw/zinc/17/30/44/562173044.db2.gz XPKRUMVVOHKSLD-WIYYLYMNSA-N 1 3 370.541 2.188 20 0 FEADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCN2CCC1CC2 ZINC000375177359 557987678 /nfs/dbraw/zinc/98/76/78/557987678.db2.gz BLFCKXHNHVCEGS-UHFFFAOYSA-N 1 3 362.543 2.450 20 0 FEADHO Cn1ccc(N2CC[C@@H](NC3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC000375846233 558088481 /nfs/dbraw/zinc/08/84/81/558088481.db2.gz IBHZYLBRIJTABM-HXUWFJFHSA-N 1 3 353.514 2.296 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000375965079 558106271 /nfs/dbraw/zinc/10/62/71/558106271.db2.gz WHPMDOBSQZMWNN-JKSUJKDBSA-N 1 3 350.532 2.448 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000375965079 558106273 /nfs/dbraw/zinc/10/62/73/558106273.db2.gz WHPMDOBSQZMWNN-JKSUJKDBSA-N 1 3 350.532 2.448 20 0 FEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376066404 558122267 /nfs/dbraw/zinc/12/22/67/558122267.db2.gz JNPFFFVIHAGWCD-WDSOQIARSA-N 1 3 361.534 2.446 20 0 FEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376066404 558122268 /nfs/dbraw/zinc/12/22/68/558122268.db2.gz JNPFFFVIHAGWCD-WDSOQIARSA-N 1 3 361.534 2.446 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000376189301 558138556 /nfs/dbraw/zinc/13/85/56/558138556.db2.gz CABOKYHFIPODEZ-NEWSRXKRSA-N 1 3 366.550 2.048 20 0 FEADHO C[C@H]1CN(CCc2nc(-c3ccccc3)no2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000376204176 558140584 /nfs/dbraw/zinc/14/05/84/558140584.db2.gz XOTVOTZKULOZCS-PKOBYXMFSA-N 1 3 369.513 2.237 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)CC1 ZINC000376652614 558203221 /nfs/dbraw/zinc/20/32/21/558203221.db2.gz KCYBHDMSJNBQGJ-PKOBYXMFSA-N 1 3 366.550 2.144 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C2CC(c3ccccn3)C2)c1 ZINC000377550674 558362621 /nfs/dbraw/zinc/36/26/21/558362621.db2.gz QLZIQPKIHKTYBR-UHFFFAOYSA-N 1 3 352.482 2.409 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000377915215 558447380 /nfs/dbraw/zinc/44/73/80/558447380.db2.gz QIZARVHRRWPJTE-RTBURBONSA-N 1 3 359.518 2.077 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000377915215 558447383 /nfs/dbraw/zinc/44/73/83/558447383.db2.gz QIZARVHRRWPJTE-RTBURBONSA-N 1 3 359.518 2.077 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)C[C@H]1CSCCN1 ZINC000378208661 558502887 /nfs/dbraw/zinc/50/28/87/558502887.db2.gz UUPRTECYMSFZPK-NZSAHSFTSA-N 1 3 361.555 2.451 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)C[C@H]1CSCCN1 ZINC000378208661 558502888 /nfs/dbraw/zinc/50/28/88/558502888.db2.gz UUPRTECYMSFZPK-NZSAHSFTSA-N 1 3 361.555 2.451 20 0 FEADHO CCOc1ccc(OCC[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000378316559 558528133 /nfs/dbraw/zinc/52/81/33/558528133.db2.gz KEAVNHQSSZJJRC-GHTZIAJQSA-N 1 3 361.530 2.422 20 0 FEADHO CCOc1ccc(OCC[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000378316559 558528135 /nfs/dbraw/zinc/52/81/35/558528135.db2.gz KEAVNHQSSZJJRC-GHTZIAJQSA-N 1 3 361.530 2.422 20 0 FEADHO N#Cc1ccccc1OC[C@H](O)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380129481 558602329 /nfs/dbraw/zinc/60/23/29/558602329.db2.gz SNQDHYRALGEUPB-TZIWHRDSSA-N 1 3 365.477 2.410 20 0 FEADHO N#Cc1ccccc1OC[C@H](O)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380129481 558602331 /nfs/dbraw/zinc/60/23/31/558602331.db2.gz SNQDHYRALGEUPB-TZIWHRDSSA-N 1 3 365.477 2.410 20 0 FEADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000391032830 558613000 /nfs/dbraw/zinc/61/30/00/558613000.db2.gz XAFACYCAKOEJAZ-VTHDOGFWSA-N 1 3 371.525 2.314 20 0 FEADHO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)[C@@H]3CN4CCC3CC4)cc2)CC1 ZINC000524694342 562232401 /nfs/dbraw/zinc/23/24/01/562232401.db2.gz JLXRTRGVKSDODZ-OAQYLSRUSA-N 1 3 370.541 2.383 20 0 FEADHO CCc1cccc2c(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)c[nH]c21 ZINC000524923242 562237628 /nfs/dbraw/zinc/23/76/28/562237628.db2.gz IHFVIQZBUYSHME-UHFFFAOYSA-N 1 3 373.545 2.408 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN2CCCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000525409372 562247596 /nfs/dbraw/zinc/24/75/96/562247596.db2.gz YBNOJSSJENYGTM-LJQANCHMSA-N 1 3 372.557 2.183 20 0 FEADHO CCN1CCC(NC(=O)C[NH2+][C@@H](Cc2ccccc2OC)C(C)C)CC1 ZINC000411514177 558908196 /nfs/dbraw/zinc/90/81/96/558908196.db2.gz FULUCFZGEILCES-IBGZPJMESA-N 1 3 361.530 2.452 20 0 FEADHO C[NH+](C)C1CCN(CCNC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412174780 559018435 /nfs/dbraw/zinc/01/84/35/559018435.db2.gz YFHDOAJEUZEVFY-UHFFFAOYSA-N 1 3 372.557 2.428 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C1(OC)CCC1 ZINC000413824618 559132750 /nfs/dbraw/zinc/13/27/50/559132750.db2.gz WSRIFDQXBGTLHE-DLBZAZTESA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C1(OC)CCC1 ZINC000413824618 559132753 /nfs/dbraw/zinc/13/27/53/559132753.db2.gz WSRIFDQXBGTLHE-DLBZAZTESA-N 1 3 354.539 2.002 20 0 FEADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000414113729 559149669 /nfs/dbraw/zinc/14/96/69/559149669.db2.gz OGCIOTLNDGOJFP-VHDGCEQUSA-N 1 3 356.308 2.462 20 0 FEADHO C[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000414186314 559151925 /nfs/dbraw/zinc/15/19/25/559151925.db2.gz HMUCGUMDHDTIKQ-OAHLLOKOSA-N 1 3 353.457 2.412 20 0 FEADHO C[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1nc2ccccc2n1C ZINC000414204334 559152989 /nfs/dbraw/zinc/15/29/89/559152989.db2.gz WDVWKSMXIFUFDS-QGZVFWFLSA-N 1 3 371.529 2.021 20 0 FEADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1CCOC1 ZINC000414336495 559157144 /nfs/dbraw/zinc/15/71/44/559157144.db2.gz ZKWXFCJCUZFAAA-WOJBJXKFSA-N 1 3 359.514 2.289 20 0 FEADHO OC1(CNCc2cnc(C3CC3)nc2)CC[NH+](Cc2ccccc2)CC1 ZINC000414529709 559169977 /nfs/dbraw/zinc/16/99/77/559169977.db2.gz WFHXXILKHRUNSH-UHFFFAOYSA-N 1 3 352.482 2.471 20 0 FEADHO C[NH2+][C@H](C)Cc1noc(-c2cnn(CCN(C)C)c2-c2ccccc2)n1 ZINC000414643432 559176884 /nfs/dbraw/zinc/17/68/84/559176884.db2.gz KYLKGKBXISKSAJ-CQSZACIVSA-N 1 3 354.458 2.312 20 0 FEADHO C[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414679147 559179078 /nfs/dbraw/zinc/17/90/78/559179078.db2.gz LEPWYMRGWWZYIZ-NSHDSACASA-N 1 3 360.321 2.140 20 0 FEADHO C[N@H+](Cc1ccc(Br)s1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414679147 559179080 /nfs/dbraw/zinc/17/90/80/559179080.db2.gz LEPWYMRGWWZYIZ-NSHDSACASA-N 1 3 360.321 2.140 20 0 FEADHO C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414682857 559179566 /nfs/dbraw/zinc/17/95/66/559179566.db2.gz SBHZWXPGVKNXHU-CYBMUJFWSA-N 1 3 359.392 2.214 20 0 FEADHO C[N@H+](Cc1ccccc1OC(F)(F)F)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414682857 559179568 /nfs/dbraw/zinc/17/95/68/559179568.db2.gz SBHZWXPGVKNXHU-CYBMUJFWSA-N 1 3 359.392 2.214 20 0 FEADHO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)C12CCCCC2 ZINC000414694258 559180166 /nfs/dbraw/zinc/18/01/66/559180166.db2.gz FMKIQLLCRKDWOK-FGTMMUONSA-N 1 3 351.535 2.243 20 0 FEADHO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)C12CCCCC2 ZINC000414694258 559180168 /nfs/dbraw/zinc/18/01/68/559180168.db2.gz FMKIQLLCRKDWOK-FGTMMUONSA-N 1 3 351.535 2.243 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414696079 559180554 /nfs/dbraw/zinc/18/05/54/559180554.db2.gz VGFAWFZGRWQAAQ-INIZCTEOSA-N 1 3 372.513 2.042 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414696079 559180556 /nfs/dbraw/zinc/18/05/56/559180556.db2.gz VGFAWFZGRWQAAQ-INIZCTEOSA-N 1 3 372.513 2.042 20 0 FEADHO CCC[C@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CCN1Cc1ccccc1 ZINC000414705558 559181189 /nfs/dbraw/zinc/18/11/89/559181189.db2.gz KPDBICXVDCHVDR-SFTDATJTSA-N 1 3 372.557 2.170 20 0 FEADHO CCC[C@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CCN1Cc1ccccc1 ZINC000414705558 559181190 /nfs/dbraw/zinc/18/11/90/559181190.db2.gz KPDBICXVDCHVDR-SFTDATJTSA-N 1 3 372.557 2.170 20 0 FEADHO C[N@H+](CCCOc1cccc(Cl)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414714290 559181653 /nfs/dbraw/zinc/18/16/53/559181653.db2.gz WSJCYNKNSBAWEB-HNNXBMFYSA-N 1 3 353.894 2.238 20 0 FEADHO C[N@@H+](CCCOc1cccc(Cl)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414714290 559181654 /nfs/dbraw/zinc/18/16/54/559181654.db2.gz WSJCYNKNSBAWEB-HNNXBMFYSA-N 1 3 353.894 2.238 20 0 FEADHO Brc1ccccc1CN1CCC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000415042342 559202131 /nfs/dbraw/zinc/20/21/31/559202131.db2.gz SIAOXZVNYGUYPU-QLPKVWCKSA-N 1 3 350.304 2.221 20 0 FEADHO Brc1cnc(CNC2CCC([NH+]3CCNCC3)CC2)s1 ZINC000415053271 559202548 /nfs/dbraw/zinc/20/25/48/559202548.db2.gz MIJCDTLIJSDABA-UHFFFAOYSA-N 1 3 359.337 2.212 20 0 FEADHO Fc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2ncccc12 ZINC000414966652 559197640 /nfs/dbraw/zinc/19/76/40/559197640.db2.gz DODBNEYEHUFXCI-HNNXBMFYSA-N 1 3 356.367 2.300 20 0 FEADHO Brc1cnc(CNC2CCC(N3CC[NH2+]CC3)CC2)s1 ZINC000415053271 559202550 /nfs/dbraw/zinc/20/25/50/559202550.db2.gz MIJCDTLIJSDABA-UHFFFAOYSA-N 1 3 359.337 2.212 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)C1 ZINC000415116075 559205919 /nfs/dbraw/zinc/20/59/19/559205919.db2.gz YYDMTUMOYMLPNR-FXAWDEMLSA-N 1 3 359.514 2.067 20 0 FEADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CC2CCCCC2)cc1 ZINC000415116589 559206062 /nfs/dbraw/zinc/20/60/62/559206062.db2.gz WBRIEYZTWXCXCA-UHFFFAOYSA-N 1 3 374.529 2.315 20 0 FEADHO [NH3+]CC1(O)CCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000415146311 559208885 /nfs/dbraw/zinc/20/88/85/559208885.db2.gz YDKUZBYDCBXNHX-UHFFFAOYSA-N 1 3 354.376 2.177 20 0 FEADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415422601 559234243 /nfs/dbraw/zinc/23/42/43/559234243.db2.gz DWXFGJMNJKETPW-SFHVURJKSA-N 1 3 360.502 2.101 20 0 FEADHO COc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000416829584 559334115 /nfs/dbraw/zinc/33/41/15/559334115.db2.gz TXDFTBFCZBHKJR-APWZRJJASA-N 1 3 360.502 2.131 20 0 FEADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000416843661 559334851 /nfs/dbraw/zinc/33/48/51/559334851.db2.gz PEUIDJXJADGWEM-SLFFLAALSA-N 1 3 356.514 2.292 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000416852310 559335234 /nfs/dbraw/zinc/33/52/34/559335234.db2.gz MJVKVSFRKLIAPC-IEBWSBKVSA-N 1 3 360.502 2.273 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NCC[C@@H]2CC[NH2+]C2)N2CCCC2)c1 ZINC000416855398 559335390 /nfs/dbraw/zinc/33/53/90/559335390.db2.gz PZDNWNZCIRXNMC-QFBILLFUSA-N 1 3 360.502 2.131 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NCCC2=CC[NH2+]CC2)N2CCCC2)c1 ZINC000416856007 559335474 /nfs/dbraw/zinc/33/54/74/559335474.db2.gz QOPJNCOGQSCGNH-HXUWFJFHSA-N 1 3 372.513 2.441 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)c1cccc(OC)c1 ZINC000416905553 559337490 /nfs/dbraw/zinc/33/74/90/559337490.db2.gz GEVQIEHZARYOGP-VDZJLULYSA-N 1 3 362.518 2.457 20 0 FEADHO CCN(CC)[C@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416917630 559338206 /nfs/dbraw/zinc/33/82/06/559338206.db2.gz IBKZQAXHKQQTLK-VQIMIIECSA-N 1 3 362.518 2.377 20 0 FEADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CNCCC1(F)F)Cc1ccccc1 ZINC000417013191 559343822 /nfs/dbraw/zinc/34/38/22/559343822.db2.gz YIUHUWDUFCHBES-SJORKVTESA-N 1 3 368.472 2.236 20 0 FEADHO CC(C)(CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000417088438 559347187 /nfs/dbraw/zinc/34/71/87/559347187.db2.gz KQJDRRJKPCXYJV-IBGZPJMESA-N 1 3 356.514 2.359 20 0 FEADHO CC(C)(CNC(=O)N[C@@H](CC[NH3+])C(F)F)N1CCc2ccccc2C1 ZINC000417089767 559347325 /nfs/dbraw/zinc/34/73/25/559347325.db2.gz ROEXFOJVTMCQME-HNNXBMFYSA-N 1 3 354.445 2.105 20 0 FEADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417314089 559357257 /nfs/dbraw/zinc/35/72/57/559357257.db2.gz YBXRCSKOMJUTEC-ZCNNSNEGSA-N 1 3 356.514 2.292 20 0 FEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000417359895 559358978 /nfs/dbraw/zinc/35/89/78/559358978.db2.gz JDLJWYXFQKYBED-KRWDZBQOSA-N 1 3 350.507 2.142 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)N1CCN[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000417492203 559364196 /nfs/dbraw/zinc/36/41/96/559364196.db2.gz LNXLWPKDYJBQPN-LNLFQRSKSA-N 1 3 362.518 2.088 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)N1CCN[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000417492203 559364197 /nfs/dbraw/zinc/36/41/97/559364197.db2.gz LNXLWPKDYJBQPN-LNLFQRSKSA-N 1 3 362.518 2.088 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000417489809 559364323 /nfs/dbraw/zinc/36/43/23/559364323.db2.gz GFBRSBHCGFCVBV-UFYCRDLUSA-N 1 3 374.529 2.089 20 0 FEADHO CCc1ccccc1[C@H](N)CNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000417526727 559366041 /nfs/dbraw/zinc/36/60/41/559366041.db2.gz UZYUNYVMOFPZOL-LJQANCHMSA-N 1 3 374.529 2.193 20 0 FEADHO C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417594912 559368549 /nfs/dbraw/zinc/36/85/49/559368549.db2.gz NIRUKPULSZYFDW-LJQANCHMSA-N 1 3 374.529 2.302 20 0 FEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000417688287 559372528 /nfs/dbraw/zinc/37/25/28/559372528.db2.gz IUOMRLVCTXBOOJ-BHIYHBOVSA-N 1 3 356.514 2.463 20 0 FEADHO [NH3+]C1CCN(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CC1 ZINC000417818040 559377384 /nfs/dbraw/zinc/37/73/84/559377384.db2.gz FGQUMFULTXXSPL-UHFFFAOYSA-N 1 3 374.529 2.190 20 0 FEADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CNCCO2)c1 ZINC000417881924 559380452 /nfs/dbraw/zinc/38/04/52/559380452.db2.gz RKTIUVVFMPBWSG-IBGZPJMESA-N 1 3 362.518 2.096 20 0 FEADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CNCCO2)c1 ZINC000417881924 559380453 /nfs/dbraw/zinc/38/04/53/559380453.db2.gz RKTIUVVFMPBWSG-IBGZPJMESA-N 1 3 362.518 2.096 20 0 FEADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2ccnc(OCCN(C)C)c2)cc1 ZINC000417940990 559382851 /nfs/dbraw/zinc/38/28/51/559382851.db2.gz ABCLCWOOEPIEDN-OAHLLOKOSA-N 1 3 371.485 2.041 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000418116147 559390744 /nfs/dbraw/zinc/39/07/44/559390744.db2.gz PXSJEQQPQXAVFK-QRVBRYPASA-N 1 3 366.550 2.051 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCCO1 ZINC000418120190 559390808 /nfs/dbraw/zinc/39/08/08/559390808.db2.gz VLEUHQIJRUJVGP-PKOBYXMFSA-N 1 3 362.518 2.267 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)NCCC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000418159456 559392257 /nfs/dbraw/zinc/39/22/57/559392257.db2.gz DKGIWTIJHRMQRI-SFHVURJKSA-N 1 3 374.529 2.491 20 0 FEADHO CSC1(CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CCN(C)CC1 ZINC000418192607 559393583 /nfs/dbraw/zinc/39/35/83/559393583.db2.gz AMIMBHHKUYSMTC-SJORKVTESA-N 1 3 368.591 2.378 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)N(C)C)cc1 ZINC000418226769 559394631 /nfs/dbraw/zinc/39/46/31/559394631.db2.gz BHEMOEFZPBURJG-KBPBESRZSA-N 1 3 360.474 2.293 20 0 FEADHO CN(Cc1ccccc1)C1(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CCC1 ZINC000418241556 559395192 /nfs/dbraw/zinc/39/51/92/559395192.db2.gz KBQFOWUSWNOPAF-RTBURBONSA-N 1 3 356.514 2.292 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC1CCC([NH3+])CC1 ZINC000418390376 559399957 /nfs/dbraw/zinc/39/99/57/559399957.db2.gz SUJQCQCHLIYGEB-UHFFFAOYSA-N 1 3 354.445 2.308 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000418426038 559401000 /nfs/dbraw/zinc/40/10/00/559401000.db2.gz JCESMABLTHEVPY-MOPGFXCFSA-N 1 3 356.470 2.297 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418433282 559401483 /nfs/dbraw/zinc/40/14/83/559401483.db2.gz CVUQULTWRCQPKC-RTBURBONSA-N 1 3 361.534 2.451 20 0 FEADHO O=C(NCC1=CC[NH2+]CC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000418536254 559405256 /nfs/dbraw/zinc/40/52/56/559405256.db2.gz GAQNZRDMTQLXCZ-UHFFFAOYSA-N 1 3 356.514 2.256 20 0 FEADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418607063 559407638 /nfs/dbraw/zinc/40/76/38/559407638.db2.gz ZZUBWTWFSFYAKO-AZUAARDMSA-N 1 3 358.530 2.335 20 0 FEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000418629505 559408621 /nfs/dbraw/zinc/40/86/21/559408621.db2.gz DHISPCGBHMUZCN-PXNSSMCTSA-N 1 3 356.514 2.247 20 0 FEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000418629505 559408622 /nfs/dbraw/zinc/40/86/22/559408622.db2.gz DHISPCGBHMUZCN-PXNSSMCTSA-N 1 3 356.514 2.247 20 0 FEADHO CN(CCN1CCCC1)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418734653 559413082 /nfs/dbraw/zinc/41/30/82/559413082.db2.gz SSNPBIMNNPOQPF-PKOBYXMFSA-N 1 3 362.493 2.256 20 0 FEADHO CN(C)C[C@@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1 ZINC000418774861 559415391 /nfs/dbraw/zinc/41/53/91/559415391.db2.gz WBJVGVUYJZQRPX-ZIAGYGMSSA-N 1 3 360.836 2.239 20 0 FEADHO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCCN(Cc2ccccc2)CC1 ZINC000418779827 559415632 /nfs/dbraw/zinc/41/56/32/559415632.db2.gz BOTJTSMDCRXRTL-SLFFLAALSA-N 1 3 356.514 2.292 20 0 FEADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000418778100 559415646 /nfs/dbraw/zinc/41/56/46/559415646.db2.gz YQQFPEGTDOTJEY-DLBZAZTESA-N 1 3 366.456 2.147 20 0 FEADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000418778100 559415647 /nfs/dbraw/zinc/41/56/47/559415647.db2.gz YQQFPEGTDOTJEY-DLBZAZTESA-N 1 3 366.456 2.147 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418806607 559416954 /nfs/dbraw/zinc/41/69/54/559416954.db2.gz YRUQFEOFCJCPNU-ARFHVFGLSA-N 1 3 350.532 2.209 20 0 FEADHO Cc1ccc(CN2CCCN(C(=O)CN[C@@H]3[C@H](C)CC[NH2+][C@@H]3C)CC2)cc1 ZINC000420380121 559484120 /nfs/dbraw/zinc/48/41/20/559484120.db2.gz YCKJIBXUTFQJPS-WOIUINJBSA-N 1 3 372.557 2.005 20 0 FEADHO COC(=O)c1ccccc1OCCN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420387816 559484582 /nfs/dbraw/zinc/48/45/82/559484582.db2.gz WNAHAPXRIVFDMC-PKOBYXMFSA-N 1 3 362.470 2.070 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N(C)[C@H](C)CC(C)C)CC2)CC1 ZINC000420972874 559515789 /nfs/dbraw/zinc/51/57/89/559515789.db2.gz BKQFZPRTVMYWAI-LJQANCHMSA-N 1 3 366.594 2.371 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)N(C)[C@H](C)CC(C)C)CC2)CC1 ZINC000420972874 559515790 /nfs/dbraw/zinc/51/57/90/559515790.db2.gz BKQFZPRTVMYWAI-LJQANCHMSA-N 1 3 366.594 2.371 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CCCO[C@@H]3CCCCO3)CC2)CC1 ZINC000420973446 559515805 /nfs/dbraw/zinc/51/58/05/559515805.db2.gz CLXHDAUFSDVXDL-HXUWFJFHSA-N 1 3 353.551 2.412 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CCCO[C@@H]3CCCCO3)CC2)CC1 ZINC000420973446 559515806 /nfs/dbraw/zinc/51/58/06/559515806.db2.gz CLXHDAUFSDVXDL-HXUWFJFHSA-N 1 3 353.551 2.412 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C(=O)OC)cc3)CC2)CC1 ZINC000421020724 559519922 /nfs/dbraw/zinc/51/99/22/559519922.db2.gz ZZTMRHMLRFMLIF-UHFFFAOYSA-N 1 3 359.514 2.465 20 0 FEADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C(=O)OC)cc3)CC2)CC1 ZINC000421020724 559519923 /nfs/dbraw/zinc/51/99/23/559519923.db2.gz ZZTMRHMLRFMLIF-UHFFFAOYSA-N 1 3 359.514 2.465 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C(=O)OC)cc3)CC2)CC1 ZINC000421020724 559519924 /nfs/dbraw/zinc/51/99/24/559519924.db2.gz ZZTMRHMLRFMLIF-UHFFFAOYSA-N 1 3 359.514 2.465 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000422767443 559605987 /nfs/dbraw/zinc/60/59/87/559605987.db2.gz MZYGGZGCUXXSRR-WMZOPIPTSA-N 1 3 351.516 2.078 20 0 FEADHO OC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422797907 559606780 /nfs/dbraw/zinc/60/67/80/559606780.db2.gz OZYWBXBGOCXXIJ-ARKSPBFVSA-N 1 3 370.896 2.377 20 0 FEADHO CC(C)(C)NC(=O)CN1CCC(C[NH2+][C@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000422841093 559608118 /nfs/dbraw/zinc/60/81/18/559608118.db2.gz VEVSUFKVJXXONI-MOPGFXCFSA-N 1 3 358.530 2.348 20 0 FEADHO CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422896570 559610294 /nfs/dbraw/zinc/61/02/94/559610294.db2.gz AMLCLPOMLITPLM-SJLPKXTDSA-N 1 3 353.532 2.323 20 0 FEADHO COC[C@@H](CCC[NH3+])N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000422919515 559611347 /nfs/dbraw/zinc/61/13/47/559611347.db2.gz JVOYWKLQBUWWHY-ZIAGYGMSSA-N 1 3 359.392 2.154 20 0 FEADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H](O)COc1ccccc1Br ZINC000422934385 559611919 /nfs/dbraw/zinc/61/19/19/559611919.db2.gz FOXXWUMSEJMDSV-KCQAQPDRSA-N 1 3 357.292 2.296 20 0 FEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1Br ZINC000422934385 559611920 /nfs/dbraw/zinc/61/19/20/559611920.db2.gz FOXXWUMSEJMDSV-KCQAQPDRSA-N 1 3 357.292 2.296 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994176 559614289 /nfs/dbraw/zinc/61/42/89/559614289.db2.gz UTTVRHZUMMUPKK-GZIXRCOHSA-N 1 3 360.420 2.198 20 0 FEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994176 559614290 /nfs/dbraw/zinc/61/42/90/559614290.db2.gz UTTVRHZUMMUPKK-GZIXRCOHSA-N 1 3 360.420 2.198 20 0 FEADHO CCOC(=O)C1([C@@H](C)N[C@@H](CCO)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000423011075 559614991 /nfs/dbraw/zinc/61/49/91/559614991.db2.gz YWCKVNNPKAGFOM-QAPCUYQASA-N 1 3 364.486 2.030 20 0 FEADHO COCCN1CCC([NH2+][C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000423373865 559626992 /nfs/dbraw/zinc/62/69/92/559626992.db2.gz SKPQJJYPNCGAPD-APWZRJJASA-N 1 3 353.457 2.111 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)CCOCC1)c1ccccc1 ZINC000423422266 559628702 /nfs/dbraw/zinc/62/87/02/559628702.db2.gz KHSXGHBCNNBAPL-LNLFQRSKSA-N 1 3 359.514 2.391 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)CCOCC1)c1ccccc1 ZINC000423421770 559628723 /nfs/dbraw/zinc/62/87/23/559628723.db2.gz KHSXGHBCNNBAPL-JENIJYKNSA-N 1 3 359.514 2.391 20 0 FEADHO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000423437475 559629182 /nfs/dbraw/zinc/62/91/82/559629182.db2.gz MGLRRFLBNXZDEG-IBGZPJMESA-N 1 3 359.514 2.038 20 0 FEADHO C[C@@H](CCC[NH3+])N[C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423452384 559629538 /nfs/dbraw/zinc/62/95/38/559629538.db2.gz JPTJIKYQKWOXNX-IUCAKERBSA-N 1 3 354.303 2.419 20 0 FEADHO CC1(C(=O)N[C@H]2CNCCC2(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000423690864 559636016 /nfs/dbraw/zinc/63/60/16/559636016.db2.gz DTEMRSFTQWBXPI-INIZCTEOSA-N 1 3 351.441 2.402 20 0 FEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000423857005 559643092 /nfs/dbraw/zinc/64/30/92/559643092.db2.gz XGMFNEBDRTWBKG-ZCNNSNEGSA-N 1 3 359.514 2.028 20 0 FEADHO C[C@@H]1C[C@@H](C)N(C(=O)CCN2CCN(c3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000424080386 559654101 /nfs/dbraw/zinc/65/41/01/559654101.db2.gz VLUHTQQDSHIVQV-QRVBRYPASA-N 1 3 358.530 2.031 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](CC(C)C)CN2CCCC2)c1 ZINC000424451321 559665553 /nfs/dbraw/zinc/66/55/53/559665553.db2.gz BEEVZTJWODZIJY-SFHVURJKSA-N 1 3 360.502 2.019 20 0 FEADHO CC(C)[C@H](CNC(=O)N1CCC[C@H]2CN(C)C[C@H]21)[NH+]1CCC(C)CC1 ZINC000425645021 559712829 /nfs/dbraw/zinc/71/28/29/559712829.db2.gz BASHYCWCVMGKLA-GBESFXJTSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CN1Cc1ccccc1 ZINC000425706129 559715490 /nfs/dbraw/zinc/71/54/90/559715490.db2.gz UMJZUDBZQFTYAS-GSEOLPGOSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CN1Cc1ccccc1 ZINC000425706129 559715491 /nfs/dbraw/zinc/71/54/91/559715491.db2.gz UMJZUDBZQFTYAS-GSEOLPGOSA-N 1 3 356.514 2.385 20 0 FEADHO CCn1cc([C@@H]2OCC[C@H]2CNCc2cc(C3CC[NH2+]CC3)no2)cn1 ZINC000425895480 559724364 /nfs/dbraw/zinc/72/43/64/559724364.db2.gz JFTXKKFDMLFMPL-HNAYVOBHSA-N 1 3 359.474 2.225 20 0 FEADHO COc1ccc(CC[C@@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1O ZINC000426159889 559730707 /nfs/dbraw/zinc/73/07/07/559730707.db2.gz IWUUKTOIYSUPST-SJLPKXTDSA-N 1 3 350.503 2.404 20 0 FEADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)CC1 ZINC000427148231 559749054 /nfs/dbraw/zinc/74/90/54/559749054.db2.gz UQZSIRPEBFDYLP-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)C[C@H]3CCC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000427299301 559752632 /nfs/dbraw/zinc/75/26/32/559752632.db2.gz LNWCVCCSENWSRZ-KURKYZTESA-N 1 3 351.535 2.114 20 0 FEADHO CC[NH2+]CC1CCN([C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)CC1 ZINC000430570795 559823205 /nfs/dbraw/zinc/82/32/05/559823205.db2.gz CFKRCHIQKWNVQV-OAHLLOKOSA-N 1 3 363.502 2.030 20 0 FEADHO [NH3+]CC1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000430634678 559825385 /nfs/dbraw/zinc/82/53/85/559825385.db2.gz DYPFLIFVLQZIIR-UHFFFAOYSA-N 1 3 355.364 2.191 20 0 FEADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000432854227 559866243 /nfs/dbraw/zinc/86/62/43/559866243.db2.gz MVDBCIFWNAMALQ-NMLBUPMWSA-N 1 3 371.529 2.343 20 0 FEADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000432854227 559866244 /nfs/dbraw/zinc/86/62/44/559866244.db2.gz MVDBCIFWNAMALQ-NMLBUPMWSA-N 1 3 371.529 2.343 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NCC2([NH+](C)C)CCCCC2)CCCO1 ZINC000433273375 559875426 /nfs/dbraw/zinc/87/54/26/559875426.db2.gz KSYYFIYWRJVEJR-QGZVFWFLSA-N 1 3 354.539 2.051 20 0 FEADHO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H](C)N3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000434430690 559900326 /nfs/dbraw/zinc/90/03/26/559900326.db2.gz BKWAPSVQLKJPBX-CEXWTWQISA-N 1 3 364.578 2.265 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434444734 559900563 /nfs/dbraw/zinc/90/05/63/559900563.db2.gz LEIVZJBIAMEHFK-NRFANRHFSA-N 1 3 370.541 2.332 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434444734 559900564 /nfs/dbraw/zinc/90/05/64/559900564.db2.gz LEIVZJBIAMEHFK-NRFANRHFSA-N 1 3 370.541 2.332 20 0 FEADHO CSc1ccc(OCCN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436056436 559934444 /nfs/dbraw/zinc/93/44/44/559934444.db2.gz VYVGPUISIDCQPX-OAHLLOKOSA-N 1 3 351.516 2.107 20 0 FEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000436484361 559942764 /nfs/dbraw/zinc/94/27/64/559942764.db2.gz CQPRRBLCXWICNF-INIZCTEOSA-N 1 3 350.511 2.078 20 0 FEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000436484361 559942765 /nfs/dbraw/zinc/94/27/65/559942765.db2.gz CQPRRBLCXWICNF-INIZCTEOSA-N 1 3 350.511 2.078 20 0 FEADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444268444 560107411 /nfs/dbraw/zinc/10/74/11/560107411.db2.gz JTSUKJBRCFFVBT-CTNGQTDRSA-N 1 3 354.498 2.157 20 0 FEADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ncccc1F ZINC000527728205 562301586 /nfs/dbraw/zinc/30/15/86/562301586.db2.gz UDLKYYZRXMOOMJ-AWEZNQCLSA-N 1 3 363.481 2.140 20 0 FEADHO CN(C)CCN(CCCc1ccccc1)C(=O)COC1CCC([NH3+])CC1 ZINC000449134838 560217451 /nfs/dbraw/zinc/21/74/51/560217451.db2.gz LRQAMSTYGTXLNO-UHFFFAOYSA-N 1 3 361.530 2.296 20 0 FEADHO C[C@H](c1ccccc1)[C@H](O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000450628155 560268424 /nfs/dbraw/zinc/26/84/24/560268424.db2.gz VRKOCJJDISVQBC-WDEYQYIQSA-N 1 3 357.542 2.394 20 0 FEADHO C[C@H](c1ccccc1)[C@H](O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000450628155 560268425 /nfs/dbraw/zinc/26/84/25/560268425.db2.gz VRKOCJJDISVQBC-WDEYQYIQSA-N 1 3 357.542 2.394 20 0 FEADHO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(F)c(CN2CC[C@@H](CO)[C@@H]2C)c1 ZINC000450883339 560276654 /nfs/dbraw/zinc/27/66/54/560276654.db2.gz PTYUYGBKKRKYHH-FZCLSBEQSA-N 1 3 350.478 2.231 20 0 FEADHO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(F)c(CN2CC[C@@H](CO)[C@@H]2C)c1 ZINC000450883339 560276655 /nfs/dbraw/zinc/27/66/55/560276655.db2.gz PTYUYGBKKRKYHH-FZCLSBEQSA-N 1 3 350.478 2.231 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCCO1 ZINC000451190687 560292309 /nfs/dbraw/zinc/29/23/09/560292309.db2.gz YHHSHALEBHSXHA-IEBWSBKVSA-N 1 3 351.535 2.401 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCCO1 ZINC000451190687 560292310 /nfs/dbraw/zinc/29/23/10/560292310.db2.gz YHHSHALEBHSXHA-IEBWSBKVSA-N 1 3 351.535 2.401 20 0 FEADHO CCN1CCN(CCC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000452735803 560372407 /nfs/dbraw/zinc/37/24/07/560372407.db2.gz XXCLLEUIAPWCIY-UHFFFAOYSA-N 1 3 372.557 2.185 20 0 FEADHO CCN1CCN(CCC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000452735803 560372408 /nfs/dbraw/zinc/37/24/08/560372408.db2.gz XXCLLEUIAPWCIY-UHFFFAOYSA-N 1 3 372.557 2.185 20 0 FEADHO CN1CCC(O)(C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453138749 560383712 /nfs/dbraw/zinc/38/37/12/560383712.db2.gz YRAXUTGIDJAUDH-ZWKOTPCHSA-N 1 3 352.906 2.476 20 0 FEADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000453662763 560394494 /nfs/dbraw/zinc/39/44/94/560394494.db2.gz DPDGPBODRPKWKV-ZMYBRWDISA-N 1 3 372.513 2.019 20 0 FEADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000454085333 560427896 /nfs/dbraw/zinc/42/78/96/560427896.db2.gz FKOPSHQVPPILJA-IEBWSBKVSA-N 1 3 372.513 2.115 20 0 FEADHO CC1(C)CCC[N@@H+]1CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000457057912 560546349 /nfs/dbraw/zinc/54/63/49/560546349.db2.gz OXRPQDGWBONDSH-UHFFFAOYSA-N 1 3 358.530 2.189 20 0 FEADHO CC1(C)CCC[N@H+]1CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000457057912 560546350 /nfs/dbraw/zinc/54/63/50/560546350.db2.gz OXRPQDGWBONDSH-UHFFFAOYSA-N 1 3 358.530 2.189 20 0 FEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000457649727 560579978 /nfs/dbraw/zinc/57/99/78/560579978.db2.gz OODCIFZJXSQCSC-SFHVURJKSA-N 1 3 362.518 2.251 20 0 FEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000457649727 560579979 /nfs/dbraw/zinc/57/99/79/560579979.db2.gz OODCIFZJXSQCSC-SFHVURJKSA-N 1 3 362.518 2.251 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)N2CCCC2)cc1 ZINC000458153589 560605687 /nfs/dbraw/zinc/60/56/87/560605687.db2.gz RRLQVFNAQZWGLD-AQNXPRMDSA-N 1 3 356.514 2.477 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)N2CCCC2)cc1 ZINC000458153589 560605688 /nfs/dbraw/zinc/60/56/88/560605688.db2.gz RRLQVFNAQZWGLD-AQNXPRMDSA-N 1 3 356.514 2.477 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cnc(C)cc1C ZINC000459079216 560665503 /nfs/dbraw/zinc/66/55/03/560665503.db2.gz OXCWSGKTZCBLTF-IBGZPJMESA-N 1 3 361.534 2.256 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cnc(C)cc1C ZINC000459079216 560665504 /nfs/dbraw/zinc/66/55/04/560665504.db2.gz OXCWSGKTZCBLTF-IBGZPJMESA-N 1 3 361.534 2.256 20 0 FEADHO Cc1cc(NC2CCN(CCN3CCOCC3)CC2)ccc1C[NH+](C)C ZINC000459767665 560707183 /nfs/dbraw/zinc/70/71/83/560707183.db2.gz QFEKOIIEIFJTNQ-UHFFFAOYSA-N 1 3 360.546 2.265 20 0 FEADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460343875 560742018 /nfs/dbraw/zinc/74/20/18/560742018.db2.gz SSGNOPIGDUXCRO-HSALFYBXSA-N 1 3 368.525 2.387 20 0 FEADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460343875 560742020 /nfs/dbraw/zinc/74/20/20/560742020.db2.gz SSGNOPIGDUXCRO-HSALFYBXSA-N 1 3 368.525 2.387 20 0 FEADHO C[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000461877135 560786090 /nfs/dbraw/zinc/78/60/90/560786090.db2.gz QGHXRTASZZUHTE-HOTGVXAUSA-N 1 3 372.513 2.195 20 0 FEADHO CN(C)C1(CNC(=O)NCC2([NH+](C)C)CCCC2)Cc2ccccc2C1 ZINC000465397632 560864695 /nfs/dbraw/zinc/86/46/95/560864695.db2.gz CRIAZKIYTOANJZ-UHFFFAOYSA-N 1 3 358.530 2.259 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C[C@H]1CCCO1 ZINC000465852367 560874258 /nfs/dbraw/zinc/87/42/58/560874258.db2.gz WWYZUZWWUBJGSU-RCCFBDPRSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C[C@H]1CCCO1 ZINC000465852367 560874259 /nfs/dbraw/zinc/87/42/59/560874259.db2.gz WWYZUZWWUBJGSU-RCCFBDPRSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000466049256 560879212 /nfs/dbraw/zinc/87/92/12/560879212.db2.gz KLMBVHGNWQWOTB-MAUKXSAKSA-N 1 3 350.482 2.382 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[N@H+]1C ZINC000466049256 560879213 /nfs/dbraw/zinc/87/92/13/560879213.db2.gz KLMBVHGNWQWOTB-MAUKXSAKSA-N 1 3 350.482 2.382 20 0 FEADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000468478935 560931263 /nfs/dbraw/zinc/93/12/63/560931263.db2.gz NEYJJMCQLHNTDB-HXUWFJFHSA-N 1 3 372.557 2.435 20 0 FEADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000468478935 560931264 /nfs/dbraw/zinc/93/12/64/560931264.db2.gz NEYJJMCQLHNTDB-HXUWFJFHSA-N 1 3 372.557 2.435 20 0 FEADHO COc1ccccc1/C=C/CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000469858292 560966935 /nfs/dbraw/zinc/96/69/35/560966935.db2.gz DBRUHGCBHRFASM-CUXJHESGSA-N 1 3 357.498 2.289 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)C[C@H]21 ZINC000469872338 560967546 /nfs/dbraw/zinc/96/75/46/560967546.db2.gz BKROQTGWNFCPBZ-DJIMGWMZSA-N 1 3 354.454 2.407 20 0 FEADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CNC3)cc1 ZINC000470464380 560982892 /nfs/dbraw/zinc/98/28/92/560982892.db2.gz CDIRXMKCGCDOLQ-UHFFFAOYSA-N 1 3 352.438 2.432 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000470884056 560992762 /nfs/dbraw/zinc/99/27/62/560992762.db2.gz UKZBASDGUWPVRU-KRWDZBQOSA-N 1 3 366.550 2.003 20 0 FEADHO CN(C)CCOCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000471650488 561009703 /nfs/dbraw/zinc/00/97/03/561009703.db2.gz UQJWDHVBQIIPRU-UHFFFAOYSA-N 1 3 354.539 2.053 20 0 FEADHO C[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C1CC1 ZINC000471834263 561012574 /nfs/dbraw/zinc/01/25/74/561012574.db2.gz SAIWUMIOUKUYGJ-QRQLOZEOSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@H](CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C1CC1 ZINC000471834263 561012575 /nfs/dbraw/zinc/01/25/75/561012575.db2.gz SAIWUMIOUKUYGJ-QRQLOZEOSA-N 1 3 356.514 2.243 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H](CCO)C(C)C)CC1 ZINC000475130512 561091242 /nfs/dbraw/zinc/09/12/42/561091242.db2.gz OKJPOTQXJRGAFC-FQEVSTJZSA-N 1 3 361.530 2.072 20 0 FEADHO CN1CCC(NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000476622388 561124585 /nfs/dbraw/zinc/12/45/85/561124585.db2.gz FAXBZXIWTIHHFL-UHFFFAOYSA-N 1 3 360.502 2.055 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@@]1(C)Br ZINC000528335768 562323411 /nfs/dbraw/zinc/32/34/11/562323411.db2.gz OSTCPGLTWDWHEF-IIAWOOMASA-N 1 3 360.340 2.034 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@@]1(C)Br ZINC000528335768 562323412 /nfs/dbraw/zinc/32/34/12/562323412.db2.gz OSTCPGLTWDWHEF-IIAWOOMASA-N 1 3 360.340 2.034 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528692184 562342255 /nfs/dbraw/zinc/34/22/55/562342255.db2.gz VVRLPOGLRYGAPD-IBGZPJMESA-N 1 3 374.529 2.413 20 0 FEADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529306380 562368307 /nfs/dbraw/zinc/36/83/07/562368307.db2.gz LQASRZKPNBEHSU-LMMKCTJWSA-N 1 3 366.550 2.049 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(CCOC)CC3)CC2)CC1 ZINC000529628870 562379435 /nfs/dbraw/zinc/37/94/35/562379435.db2.gz LQWHUAHOXNOKKQ-UHFFFAOYSA-N 1 3 365.562 2.458 20 0 FEADHO FC1(F)Oc2cccc(CCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2O1 ZINC000530215564 562402753 /nfs/dbraw/zinc/40/27/53/562402753.db2.gz HMXLXCMRKKABBB-SOUVJXGZSA-N 1 3 354.397 2.297 20 0 FEADHO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)n(C2CCN(C)CC2)n1 ZINC000530711396 562421517 /nfs/dbraw/zinc/42/15/17/562421517.db2.gz NADXXHHCDVZIAZ-KRWDZBQOSA-N 1 3 360.506 2.160 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](CCOC[C@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000530939629 562429334 /nfs/dbraw/zinc/42/93/34/562429334.db2.gz IFRZIMMNQDZQSM-QWFCFKBJSA-N 1 3 354.535 2.393 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C)nn2C2CCN(C)CC2)C1 ZINC000530949148 562429655 /nfs/dbraw/zinc/42/96/55/562429655.db2.gz NBVMCIYULLBDTF-MRXNPFEDSA-N 1 3 362.522 2.312 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)Nc2cc(C)nn2C2CCN(C)CC2)C1 ZINC000530949148 562429656 /nfs/dbraw/zinc/42/96/56/562429656.db2.gz NBVMCIYULLBDTF-MRXNPFEDSA-N 1 3 362.522 2.312 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000531160172 562436669 /nfs/dbraw/zinc/43/66/69/562436669.db2.gz OKEITTVFGBDIDK-SFHVURJKSA-N 1 3 364.559 2.152 20 0 FEADHO Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n(C2CCN(C)CC2)n1 ZINC000531426404 562445550 /nfs/dbraw/zinc/44/55/50/562445550.db2.gz XYNKOXHNESJNBQ-RDJZCZTQSA-N 1 3 362.522 2.405 20 0 FEADHO Cc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n(C2CCN(C)CC2)n1 ZINC000531426404 562445551 /nfs/dbraw/zinc/44/55/51/562445551.db2.gz XYNKOXHNESJNBQ-RDJZCZTQSA-N 1 3 362.522 2.405 20 0 FEADHO CN(CCNC(=O)C1CC[NH+](C[C@H]2CCCOC2)CC1)Cc1ccccc1 ZINC000531765352 562455922 /nfs/dbraw/zinc/45/59/22/562455922.db2.gz JWVVDSWKUWWNJU-HXUWFJFHSA-N 1 3 373.541 2.373 20 0 FEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)CC[C@@H]21 ZINC000532527232 562480427 /nfs/dbraw/zinc/48/04/27/562480427.db2.gz HVPIYGDERFXXSJ-AQNXPRMDSA-N 1 3 356.514 2.236 20 0 FEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)CC[C@@H]21 ZINC000532527232 562480428 /nfs/dbraw/zinc/48/04/28/562480428.db2.gz HVPIYGDERFXXSJ-AQNXPRMDSA-N 1 3 356.514 2.236 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)NC(=O)NCc2ccccc2)C[C@H]1C ZINC000532589909 562482480 /nfs/dbraw/zinc/48/24/80/562482480.db2.gz YYBCWFCLQTZIJW-AEFFLSMTSA-N 1 3 360.502 2.207 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)NC(=O)NCc2ccccc2)C[C@H]1C ZINC000532589909 562482481 /nfs/dbraw/zinc/48/24/81/562482481.db2.gz YYBCWFCLQTZIJW-AEFFLSMTSA-N 1 3 360.502 2.207 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000533047248 562496796 /nfs/dbraw/zinc/49/67/96/562496796.db2.gz GZOSNGIIPYWUTN-RBBKRZOGSA-N 1 3 373.541 2.250 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000533047248 562496797 /nfs/dbraw/zinc/49/67/97/562496797.db2.gz GZOSNGIIPYWUTN-RBBKRZOGSA-N 1 3 373.541 2.250 20 0 FEADHO CN1CCN(CCCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000533122991 562499173 /nfs/dbraw/zinc/49/91/73/562499173.db2.gz LHFSRIKNLFIZHY-NRFANRHFSA-N 1 3 353.514 2.378 20 0 FEADHO C[NH+](C)Cc1ccc(CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000536513603 562577290 /nfs/dbraw/zinc/57/72/90/562577290.db2.gz CCZLFJMSRAUMBA-JOCHJYFZSA-N 1 3 367.493 2.001 20 0 FEADHO CCN(CC)Cc1ccc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)o1 ZINC000603895926 568177540 /nfs/dbraw/zinc/17/75/40/568177540.db2.gz BTXUKYJEHPIFIU-UHFFFAOYSA-N 1 3 364.534 2.125 20 0 FEADHO CCN(CC)Cc1ccc(C(=O)NCC2CCN(CC[NH+](C)C)CC2)o1 ZINC000603895926 568177541 /nfs/dbraw/zinc/17/75/41/568177541.db2.gz BTXUKYJEHPIFIU-UHFFFAOYSA-N 1 3 364.534 2.125 20 0 FEADHO C[C@H](NC(=O)Nc1cnn(C2CCN(C)CC2)c1)C(C)(C)C[NH+](C)C ZINC000636909224 568189722 /nfs/dbraw/zinc/18/97/22/568189722.db2.gz TZWAIMDDSOIJHR-AWEZNQCLSA-N 1 3 350.511 2.248 20 0 FEADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000604171880 568221252 /nfs/dbraw/zinc/22/12/52/568221252.db2.gz RXLHXDLIQFKMEK-ROUUACIJSA-N 1 3 368.566 2.107 20 0 FEADHO COCCN(C)CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604188806 568223152 /nfs/dbraw/zinc/22/31/52/568223152.db2.gz LLJPMTJDFBXCCD-IBGZPJMESA-N 1 3 362.518 2.091 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000604191097 568223615 /nfs/dbraw/zinc/22/36/15/568223615.db2.gz FUHGECIENDGVNZ-OALUTQOASA-N 1 3 356.514 2.087 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000604191097 568223616 /nfs/dbraw/zinc/22/36/16/568223616.db2.gz FUHGECIENDGVNZ-OALUTQOASA-N 1 3 356.514 2.087 20 0 FEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000604197326 568224774 /nfs/dbraw/zinc/22/47/74/568224774.db2.gz FIJQOKZFPANTDD-CALCHBBNSA-N 1 3 354.539 2.002 20 0 FEADHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825576340 609150377 /nfs/dbraw/zinc/15/03/77/609150377.db2.gz DVLUDCKPXSISNW-GXTWGEPZSA-N 1 3 350.442 2.013 20 0 FEADHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825576340 609150379 /nfs/dbraw/zinc/15/03/79/609150379.db2.gz DVLUDCKPXSISNW-GXTWGEPZSA-N 1 3 350.442 2.013 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000811812352 674629990 /nfs/dbraw/zinc/62/99/90/674629990.db2.gz QRNVJYAZVNPFTF-JTDSTZFVSA-N 1 3 357.539 2.220 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000811812352 674629991 /nfs/dbraw/zinc/62/99/91/674629991.db2.gz QRNVJYAZVNPFTF-JTDSTZFVSA-N 1 3 357.539 2.220 20 0 FEADHO CN(C)CCN(Cc1ccco1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000561292579 674654098 /nfs/dbraw/zinc/65/40/98/674654098.db2.gz XWKZACKPZOJFJV-KRWDZBQOSA-N 1 3 365.543 2.387 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCOC(C)(C)C3)CC2)CC1 ZINC000561314798 674655430 /nfs/dbraw/zinc/65/54/30/674655430.db2.gz CIMQYDDOXYQNGZ-QGZVFWFLSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](O)COc1ccccc1Br ZINC000562960258 674827832 /nfs/dbraw/zinc/82/78/32/674827832.db2.gz MHUPXNWJSIIQPO-VNHYZAJKSA-N 1 3 357.292 2.167 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3C[C@@H](C)O[C@@H]3C)CC2)CC1 ZINC000565210290 675102829 /nfs/dbraw/zinc/10/28/29/675102829.db2.gz VZUMTSOZDOPQIM-NUJGCVRESA-N 1 3 351.535 2.112 20 0 FEADHO [NH3+]C[C@@H]1CC[C@@H](N[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000571157204 670825178 /nfs/dbraw/zinc/82/51/78/670825178.db2.gz QPBVKBRTCJLTTR-QKCSRTOESA-N 1 3 373.316 2.385 20 0 FEADHO C[C@H]([NH2+]C1CC1)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000573604114 671142397 /nfs/dbraw/zinc/14/23/97/671142397.db2.gz LKNAFLVHLLGWBU-AWEZNQCLSA-N 1 3 365.905 2.440 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817917909 675186245 /nfs/dbraw/zinc/18/62/45/675186245.db2.gz VKGYYJALQJVCKZ-FZMZJTMJSA-N 1 3 366.405 2.076 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)CCCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000580810168 671835506 /nfs/dbraw/zinc/83/55/06/671835506.db2.gz AYJDLWKVUALVKN-HDICACEKSA-N 1 3 353.551 2.456 20 0 FEADHO NCc1cn([C@@H]2CCC[N@H+](CCC(=O)Nc3cccc(Cl)c3)C2)nn1 ZINC000581122122 671865645 /nfs/dbraw/zinc/86/56/45/671865645.db2.gz RNNHVBYYJFXVGZ-MRXNPFEDSA-N 1 3 362.865 2.056 20 0 FEADHO NCc1cn([C@@H]2CCC[N@@H+](CCC(=O)Nc3cccc(Cl)c3)C2)nn1 ZINC000581122122 671865649 /nfs/dbraw/zinc/86/56/49/671865649.db2.gz RNNHVBYYJFXVGZ-MRXNPFEDSA-N 1 3 362.865 2.056 20 0 FEADHO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000582900682 672044881 /nfs/dbraw/zinc/04/48/81/672044881.db2.gz RPHDVMVWZWCMCU-GUDVDZBRSA-N 1 3 350.503 2.078 20 0 FEADHO C[NH2+]C[C@@](C)(O)CN1CCC(CCc2cc(OC)cc(OC)c2)CC1 ZINC000584118025 672157778 /nfs/dbraw/zinc/15/77/78/672157778.db2.gz DMAGMEIHBWYFEO-HXUWFJFHSA-N 1 3 350.503 2.319 20 0 FEADHO C[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)CCCN(C)CC[NH+](C)C ZINC000584553305 672199085 /nfs/dbraw/zinc/19/90/85/672199085.db2.gz NTDPPXSOQPEBAQ-HNNXBMFYSA-N 1 3 354.926 2.482 20 0 FEADHO Cc1ccc(C)c(OC[C@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000584717210 672208768 /nfs/dbraw/zinc/20/87/68/672208768.db2.gz UAGZDTCPPFPFOW-RBUKOAKNSA-N 1 3 350.503 2.134 20 0 FEADHO Cc1ccc(C)c(OC[C@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000584717210 672208771 /nfs/dbraw/zinc/20/87/71/672208771.db2.gz UAGZDTCPPFPFOW-RBUKOAKNSA-N 1 3 350.503 2.134 20 0 FEADHO COC(=O)CC[C@H](N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593918105 673008162 /nfs/dbraw/zinc/00/81/62/673008162.db2.gz SLYGDFIUYOUUAP-INIZCTEOSA-N 1 3 365.499 2.094 20 0 FEADHO CC[NH+]1CCC(NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000721852841 673083897 /nfs/dbraw/zinc/08/38/97/673083897.db2.gz LLLCZJIWNHZTIA-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000486635624 673324362 /nfs/dbraw/zinc/32/43/62/673324362.db2.gz XQMXQVVYGHHOMG-CRAIPNDOSA-N 1 3 350.507 2.327 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(C(OC)OC)ccc2F)CC1 ZINC000818178658 675202923 /nfs/dbraw/zinc/20/29/23/675202923.db2.gz TWSPXZMRCQGOTA-OAHLLOKOSA-N 1 3 353.482 2.233 20 0 FEADHO C[NH+](C)CCOc1cc(CNC[C@H](O)c2ccc(F)cc2F)ccn1 ZINC000819195912 675268502 /nfs/dbraw/zinc/26/85/02/675268502.db2.gz MQISJNVZDHRUCW-KRWDZBQOSA-N 1 3 351.397 2.123 20 0 FEADHO C[NH+](C)CCOc1cc(CNC[C@@H](O)c2c(F)cccc2F)ccn1 ZINC000819195388 675268687 /nfs/dbraw/zinc/26/86/87/675268687.db2.gz BQKBUVQARKNJRX-MRXNPFEDSA-N 1 3 351.397 2.123 20 0 FEADHO C[C@H]1C[N@H+](CCCNC[C@H](O)COc2ccccc2Cl)CCCO1 ZINC000567700077 675314216 /nfs/dbraw/zinc/31/42/16/675314216.db2.gz DYNJJFJBCCYXLG-HOTGVXAUSA-N 1 3 356.894 2.170 20 0 FEADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)COc2ccccc2Cl)CCCO1 ZINC000567700077 675314221 /nfs/dbraw/zinc/31/42/21/675314221.db2.gz DYNJJFJBCCYXLG-HOTGVXAUSA-N 1 3 356.894 2.170 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc(Br)cc1 ZINC000617503348 676288577 /nfs/dbraw/zinc/28/85/77/676288577.db2.gz FUCYDHMZYMMOJY-AWEZNQCLSA-N 1 3 370.335 2.380 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc(Br)cc1 ZINC000617503348 676288579 /nfs/dbraw/zinc/28/85/79/676288579.db2.gz FUCYDHMZYMMOJY-AWEZNQCLSA-N 1 3 370.335 2.380 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccccc1Br ZINC000617505570 676288668 /nfs/dbraw/zinc/28/86/68/676288668.db2.gz IMBKTWDTVJEYMI-AWEZNQCLSA-N 1 3 370.335 2.380 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccccc1Br ZINC000617505570 676288670 /nfs/dbraw/zinc/28/86/70/676288670.db2.gz IMBKTWDTVJEYMI-AWEZNQCLSA-N 1 3 370.335 2.380 20 0 FEADHO CC1CCN([C@H](CNC(=O)NCCOCCC[NH3+])c2cccs2)CC1 ZINC000626922420 676728765 /nfs/dbraw/zinc/72/87/65/676728765.db2.gz WSJDIXXTYIHIKA-MRXNPFEDSA-N 1 3 368.547 2.186 20 0 FEADHO C[C@@H]1CC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C[NH2+]1 ZINC000627195573 676743367 /nfs/dbraw/zinc/74/33/67/676743367.db2.gz MFUVLMBKCIFGFD-CZUORRHYSA-N 1 3 354.445 2.179 20 0 FEADHO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1ccccc1Br ZINC000629564008 676859783 /nfs/dbraw/zinc/85/97/83/676859783.db2.gz JCJLCEPPTNALPS-KBPBESRZSA-N 1 3 357.292 2.263 20 0 FEADHO C[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1ccccc1Br ZINC000629564010 676859910 /nfs/dbraw/zinc/85/99/10/676859910.db2.gz JCJLCEPPTNALPS-UONOGXRCSA-N 1 3 357.292 2.263 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000635002882 677087250 /nfs/dbraw/zinc/08/72/50/677087250.db2.gz AVQIINRAJLNMAA-QMRMHQPBSA-N 1 3 351.288 2.429 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635003238 677087257 /nfs/dbraw/zinc/08/72/57/677087257.db2.gz AZCQPFGIFCMJBN-YHYIIZSOSA-N 1 3 351.288 2.429 20 0 FEADHO NS(=O)(=O)c1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000638309248 677143351 /nfs/dbraw/zinc/14/33/51/677143351.db2.gz NABLEQVKTOBPNT-UHFFFAOYSA-N 1 3 359.495 2.220 20 0 FEADHO C[NH+](C)Cc1cccc(CNCC2(S(=O)(=O)NC(C)(C)C)CC2)c1 ZINC000638852194 677151203 /nfs/dbraw/zinc/15/12/03/677151203.db2.gz VSVVHXLZKMHAOE-UHFFFAOYSA-N 1 3 353.532 2.088 20 0 FEADHO CC(C)(O)C[NH+]1CCC(NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000639103129 677154172 /nfs/dbraw/zinc/15/41/72/677154172.db2.gz FBHYSCLREMGQMI-QUCCMNQESA-N 1 3 350.478 2.117 20 0 FEADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000647909231 677308385 /nfs/dbraw/zinc/30/83/85/677308385.db2.gz XNHUICHERROSNB-INIZCTEOSA-N 1 3 353.457 2.368 20 0 FEADHO CN(C(=O)[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000649300675 677329066 /nfs/dbraw/zinc/32/90/66/677329066.db2.gz IAZJOEUBHJPAJI-SJORKVTESA-N 1 3 351.441 2.354 20 0 FEADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[NH2+]CCC2(F)F)N2CCCC2)cc1 ZINC000649309977 677329163 /nfs/dbraw/zinc/32/91/63/677329163.db2.gz MFTSEXYBBJINOQ-SJORKVTESA-N 1 3 351.441 2.493 20 0 FEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345593 677480538 /nfs/dbraw/zinc/48/05/38/677480538.db2.gz GHXPWNZFJWTFNB-CABLIKTCSA-N 1 3 351.535 2.098 20 0 FEADHO CN(C)C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655928833 677693391 /nfs/dbraw/zinc/69/33/91/677693391.db2.gz QKBBWYGOIALJLO-NWDGAFQWSA-N 1 3 352.788 2.132 20 0 FEADHO CCC[N@@H+]1CC[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000661954642 678555341 /nfs/dbraw/zinc/55/53/41/678555341.db2.gz XYCPTMHDYJUGNO-MRXNPFEDSA-N 1 3 354.564 2.132 20 0 FEADHO CCC[N@H+]1CC[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000661954642 678555343 /nfs/dbraw/zinc/55/53/43/678555343.db2.gz XYCPTMHDYJUGNO-MRXNPFEDSA-N 1 3 354.564 2.132 20 0 FEADHO Brc1cccc2c1OCC[C@@H]2NC[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662281302 678600549 /nfs/dbraw/zinc/60/05/49/678600549.db2.gz JDSIESFZBNRGOY-RISCZKNCSA-N 1 3 353.260 2.383 20 0 FEADHO C[NH+](C)CCOc1ccccc1CNC(=O)c1cc2c(s1)CCNC2 ZINC000662422153 678619094 /nfs/dbraw/zinc/61/90/94/678619094.db2.gz OAIIGVKBPMAWFJ-UHFFFAOYSA-N 1 3 359.495 2.264 20 0 FEADHO C[NH+](C)C[C@H]1CN(C(=O)c2cc3c(s2)CCNC3)c2ccccc2O1 ZINC000662752937 678659266 /nfs/dbraw/zinc/65/92/66/678659266.db2.gz VQDQJDLEUBEJNT-AWEZNQCLSA-N 1 3 357.479 2.363 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000664445090 678878607 /nfs/dbraw/zinc/87/86/07/678878607.db2.gz LTVKYMQENQQCEG-BBRMVZONSA-N 1 3 368.909 2.345 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000664445090 678878611 /nfs/dbraw/zinc/87/86/11/678878611.db2.gz LTVKYMQENQQCEG-BBRMVZONSA-N 1 3 368.909 2.345 20 0 FEADHO C[NH+](C)CCOc1ccc(CNCC2(S(C)(=O)=O)CCCC2)cc1 ZINC000671729261 679344194 /nfs/dbraw/zinc/34/41/94/679344194.db2.gz RAYSYRPTOWZXLS-UHFFFAOYSA-N 1 3 354.516 2.074 20 0 FEADHO CSc1ccc([C@@H](CNC(=S)NCCC[NH+](C)C)N(C)C)cc1 ZINC000840766081 680841666 /nfs/dbraw/zinc/84/16/66/680841666.db2.gz ICKPOYQHRDLZQO-MRXNPFEDSA-N 1 3 354.589 2.427 20 0 FEADHO C[C@@H](NC(=O)N(C)CCCN(C)Cc1ccco1)C1CC[NH+](C)CC1 ZINC000672456937 679376544 /nfs/dbraw/zinc/37/65/44/679376544.db2.gz BMJHDKSXKJRVJV-MRXNPFEDSA-N 1 3 350.507 2.473 20 0 FEADHO O=S(=O)(CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000840881876 680849000 /nfs/dbraw/zinc/84/90/00/680849000.db2.gz FZWGJYMNKVIZGM-YSIASYRMSA-N 1 3 362.539 2.454 20 0 FEADHO O=S(=O)(CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000840881876 680849003 /nfs/dbraw/zinc/84/90/03/680849003.db2.gz FZWGJYMNKVIZGM-YSIASYRMSA-N 1 3 362.539 2.454 20 0 FEADHO Cc1ncsc1CN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990766408 680072931 /nfs/dbraw/zinc/07/29/31/680072931.db2.gz VDISEHJIMZOJOJ-FXRXJOCMSA-N 1 3 362.543 2.405 20 0 FEADHO Cc1ncsc1CN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990766408 680072934 /nfs/dbraw/zinc/07/29/34/680072934.db2.gz VDISEHJIMZOJOJ-FXRXJOCMSA-N 1 3 362.543 2.405 20 0 FEADHO CC[C@@H](NC[C@H](O)C[NH+]1CCCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834531439 680239115 /nfs/dbraw/zinc/23/91/15/680239115.db2.gz ZFYFKDUDNZRECP-GVDBMIGSSA-N 1 3 355.523 2.211 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(CCc3ccns3)C2)CC[N@@H+]1C ZINC001023380579 680258479 /nfs/dbraw/zinc/25/84/79/680258479.db2.gz CJHLDJOKCYFPDU-BPQIPLTHSA-N 1 3 364.559 2.244 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(CCc3ccns3)C2)CC[N@H+]1C ZINC001023380579 680258481 /nfs/dbraw/zinc/25/84/81/680258481.db2.gz CJHLDJOKCYFPDU-BPQIPLTHSA-N 1 3 364.559 2.244 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2C[C@@]3(C)CN(CCC(F)(F)F)C[C@@]3(C)C2)CC[N@@H+]1C ZINC000982283767 680275032 /nfs/dbraw/zinc/27/50/32/680275032.db2.gz ZDNQKACOXSPBPY-SRABZTEZSA-N 1 3 361.452 2.449 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2C[C@@]3(C)CN(CCC(F)(F)F)C[C@@]3(C)C2)CC[N@H+]1C ZINC000982283767 680275035 /nfs/dbraw/zinc/27/50/35/680275035.db2.gz ZDNQKACOXSPBPY-SRABZTEZSA-N 1 3 361.452 2.449 20 0 FEADHO Cc1nc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001023990767 680276650 /nfs/dbraw/zinc/27/66/50/680276650.db2.gz GFXPJPAMAWSPTE-FRFSOERESA-N 1 3 350.532 2.120 20 0 FEADHO Cc1nc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001023990767 680276651 /nfs/dbraw/zinc/27/66/51/680276651.db2.gz GFXPJPAMAWSPTE-FRFSOERESA-N 1 3 350.532 2.120 20 0 FEADHO Cc1ncc(CN(C)CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC001029965811 680394749 /nfs/dbraw/zinc/39/47/49/680394749.db2.gz BGIUDLPTMPUVKT-RDTXWAMCSA-N 1 3 364.559 2.462 20 0 FEADHO Cc1ncc(CN(C)CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC001029965811 680394754 /nfs/dbraw/zinc/39/47/54/680394754.db2.gz BGIUDLPTMPUVKT-RDTXWAMCSA-N 1 3 364.559 2.462 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3ccc(Cl)nc3)C2)CC[N@@H+]1C ZINC000999190296 680398270 /nfs/dbraw/zinc/39/82/70/680398270.db2.gz PZTXMDDTUJDKAC-FVQBIDKESA-N 1 3 350.894 2.156 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3ccc(Cl)nc3)C2)CC[N@H+]1C ZINC000999190296 680398273 /nfs/dbraw/zinc/39/82/73/680398273.db2.gz PZTXMDDTUJDKAC-FVQBIDKESA-N 1 3 350.894 2.156 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2ccc(F)cc2F)CC[N@@H+]1C ZINC001045043782 680620396 /nfs/dbraw/zinc/62/03/96/680620396.db2.gz LXEDBQRAOBCPTC-XOKHGSTOSA-N 1 3 351.441 2.386 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2ccc(F)cc2F)CC[N@H+]1C ZINC001045043782 680620397 /nfs/dbraw/zinc/62/03/97/680620397.db2.gz LXEDBQRAOBCPTC-XOKHGSTOSA-N 1 3 351.441 2.386 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc(Cl)n1 ZINC000841850425 680914655 /nfs/dbraw/zinc/91/46/55/680914655.db2.gz SUWZFJRGKKQRPZ-HNNXBMFYSA-N 1 3 350.894 2.426 20 0 FEADHO C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000843363772 680999735 /nfs/dbraw/zinc/99/97/35/680999735.db2.gz PYOWDTTYBYKPMD-AWEZNQCLSA-N 1 3 351.441 2.088 20 0 FEADHO Cc1nc(CCN2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC001052391273 681076470 /nfs/dbraw/zinc/07/64/70/681076470.db2.gz NAELGGOJERIRJJ-UWWQBHOKSA-N 1 3 364.559 2.305 20 0 FEADHO Cc1nc(CCN2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC001052391273 681076475 /nfs/dbraw/zinc/07/64/75/681076475.db2.gz NAELGGOJERIRJJ-UWWQBHOKSA-N 1 3 364.559 2.305 20 0 FEADHO C[C@H]1CCC[C@](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)(N(C)C)C1 ZINC000849111484 681655697 /nfs/dbraw/zinc/65/56/97/681655697.db2.gz PSVHTQFYLLGGDS-KSSFIOAISA-N 1 3 355.527 2.136 20 0 FEADHO Cc1nn(C)c2nc(Cl)c(CN[C@@H](C)CN(C)CCC[NH+](C)C)cc12 ZINC000850353988 681890496 /nfs/dbraw/zinc/89/04/96/681890496.db2.gz ROUDLTGZFSVJLP-ZDUSSCGKSA-N 1 3 366.941 2.292 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2CC(CNCc3nc(C)cs3)C2)CC[N@@H+]1C ZINC000961856846 682103194 /nfs/dbraw/zinc/10/31/94/682103194.db2.gz PGYQZYRSOLLNKB-SSHXOBKSSA-N 1 3 350.532 2.166 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2CC(CNCc3nc(C)cs3)C2)CC[N@H+]1C ZINC000961856846 682103203 /nfs/dbraw/zinc/10/32/03/682103203.db2.gz PGYQZYRSOLLNKB-SSHXOBKSSA-N 1 3 350.532 2.166 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000851854225 682163366 /nfs/dbraw/zinc/16/33/66/682163366.db2.gz RCTPDSQGBLFXJP-GVDBMIGSSA-N 1 3 357.539 2.313 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000851854225 682163370 /nfs/dbraw/zinc/16/33/70/682163370.db2.gz RCTPDSQGBLFXJP-GVDBMIGSSA-N 1 3 357.539 2.313 20 0 FEADHO Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Br)n1 ZINC000855346249 682660037 /nfs/dbraw/zinc/66/00/37/682660037.db2.gz TVRNLZANNKHCAV-ZDUSSCGKSA-N 1 3 371.323 2.154 20 0 FEADHO Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Br)n1 ZINC000855346249 682660040 /nfs/dbraw/zinc/66/00/40/682660040.db2.gz TVRNLZANNKHCAV-ZDUSSCGKSA-N 1 3 371.323 2.154 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H]3CSC[C@H]3C)cc2)CC1 ZINC000796396457 683159411 /nfs/dbraw/zinc/15/94/11/683159411.db2.gz RJMRDEQHENRICA-CRAIPNDOSA-N 1 3 362.543 2.108 20 0 FEADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000796647988 683181028 /nfs/dbraw/zinc/18/10/28/683181028.db2.gz GOGJMXMLRFLMIG-WCXIOVBPSA-N 1 3 355.523 2.067 20 0 FEADHO C[NH+](C)CC[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1cccnc1 ZINC000928827217 683509742 /nfs/dbraw/zinc/50/97/42/683509742.db2.gz JPQUEIZHBWZVJT-APWZRJJASA-N 1 3 350.482 2.403 20 0 FEADHO CC(C)(C)OC(=O)N1CCC(C)(CNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000863553955 683742064 /nfs/dbraw/zinc/74/20/64/683742064.db2.gz NNLWLMGFEUANOP-MRXNPFEDSA-N 1 3 355.523 2.070 20 0 FEADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452897 684283457 /nfs/dbraw/zinc/28/34/57/684283457.db2.gz JKWWRRFLGZZTIB-GDBMZVCRSA-N 1 3 365.905 2.175 20 0 FEADHO [NH3+]CC[C@@H]1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000923480126 684287644 /nfs/dbraw/zinc/28/76/44/684287644.db2.gz VTTOEWGAFOADTN-IAQYHMDHSA-N 1 3 352.276 2.373 20 0 FEADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000925337455 684550767 /nfs/dbraw/zinc/55/07/67/684550767.db2.gz JAQNNCQYCQWGDA-PMPSAXMXSA-N 1 3 365.547 2.007 20 0 FEADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000925337455 684550769 /nfs/dbraw/zinc/55/07/69/684550769.db2.gz JAQNNCQYCQWGDA-PMPSAXMXSA-N 1 3 365.547 2.007 20 0 FEADHO CC1CCN([C@@H](CNC(=O)c2c(C[NH3+])cnn2C)c2cccs2)CC1 ZINC000876710331 686249704 /nfs/dbraw/zinc/24/97/04/686249704.db2.gz ISKRJEWZBXNAOF-HNNXBMFYSA-N 1 3 361.515 2.143 20 0 FEADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cncs1 ZINC000892521794 689207855 /nfs/dbraw/zinc/20/78/55/689207855.db2.gz FXIWWLGANMRXFZ-CYBMUJFWSA-N 1 3 351.520 2.062 20 0 FEADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000902486601 690770294 /nfs/dbraw/zinc/77/02/94/690770294.db2.gz QWTJHVXEGZRTBX-CIUDSAMLSA-N 1 3 352.287 2.029 20 0 FEADHO Brc1ccc2c(c1)[C@@H](NC[C@@H]1CCC3(C[NH2+]C3)O1)CCO2 ZINC000903566000 690925606 /nfs/dbraw/zinc/92/56/06/690925606.db2.gz XAVOTRIBLNENST-JSGCOSHPSA-N 1 3 353.260 2.383 20 0 FEADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cc(Cl)c(OC)c(OC)c1)C2 ZINC000903978967 690991748 /nfs/dbraw/zinc/99/17/48/690991748.db2.gz QBUCHYWOGMGGLB-JCGVRSQUSA-N 1 3 368.861 2.070 20 0 FEADHO [NH3+]CC[C@@H]1CCN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000904406442 691025869 /nfs/dbraw/zinc/02/58/69/691025869.db2.gz VEMNUTBVGCACFE-MRXNPFEDSA-N 1 3 367.921 2.222 20 0 FEADHO Cn1cc(CN2CC[C@H]3CN(c4[nH+]ccc5c4ccn5C)C[C@H]3C2)cn1 ZINC001164771623 721098106 /nfs/dbraw/zinc/09/81/06/721098106.db2.gz SIMJOZVQKYDCBN-DLBZAZTESA-N 1 3 350.470 2.265 20 0 FEADHO CCO[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000050797049 540414587 /nfs/dbraw/zinc/41/45/87/540414587.db2.gz CBVCWIMVVVEUFB-FQEVSTJZSA-N 1 3 359.514 2.439 20 0 FEADHO COc1ccc(C[NH+]2CCC(CNC(=O)N[C@H]3CCCN(C)C3)CC2)cc1 ZINC000063407165 541167039 /nfs/dbraw/zinc/16/70/39/541167039.db2.gz RRMCPIRBPGWBKS-IBGZPJMESA-N 1 3 374.529 2.301 20 0 FEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000073555998 541965534 /nfs/dbraw/zinc/96/55/34/541965534.db2.gz UYXPXAYRPCIEMT-FQEVSTJZSA-N 1 3 358.530 2.189 20 0 FEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000073555998 541965538 /nfs/dbraw/zinc/96/55/38/541965538.db2.gz UYXPXAYRPCIEMT-FQEVSTJZSA-N 1 3 358.530 2.189 20 0 FEADHO C[C@@H](CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1)N1CCC[C@H](C)C1 ZINC000074219485 542054767 /nfs/dbraw/zinc/05/47/67/542054767.db2.gz VIHQNPUVAGCCPI-ROUUACIJSA-N 1 3 361.534 2.219 20 0 FEADHO CCC[NH+]1CCC(N(C)C(=O)c2cnn(CCN3CCCCC3)c2)CC1 ZINC000074227039 542056809 /nfs/dbraw/zinc/05/68/09/542056809.db2.gz CLOGVTGKVPHBDU-UHFFFAOYSA-N 1 3 361.534 2.315 20 0 FEADHO COc1cccc(F)c1[C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000074740481 542116445 /nfs/dbraw/zinc/11/64/45/542116445.db2.gz XEFFUEWAXAITMW-CQSZACIVSA-N 1 3 354.470 2.030 20 0 FEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000077644602 542405059 /nfs/dbraw/zinc/40/50/59/542405059.db2.gz GELMGIXKAKSYLP-LJQANCHMSA-N 1 3 366.550 2.005 20 0 FEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000077644602 542405061 /nfs/dbraw/zinc/40/50/61/542405061.db2.gz GELMGIXKAKSYLP-LJQANCHMSA-N 1 3 366.550 2.005 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079732884 542539022 /nfs/dbraw/zinc/53/90/22/542539022.db2.gz OBPQBNMPMOFYBY-PMACEKPBSA-N 1 3 358.530 2.429 20 0 FEADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(Br)cc2)CC[N@H+]1C ZINC000158236584 545838265 /nfs/dbraw/zinc/83/82/65/545838265.db2.gz ZGCBMPVHIDOQAW-SNPRPXQTSA-N 1 3 357.292 2.261 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111540060 543405970 /nfs/dbraw/zinc/40/59/70/543405970.db2.gz HHQHLVIDADTGNH-UHFFFAOYSA-N 1 3 360.546 2.293 20 0 FEADHO C[NH+]1CCC(CNC(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000111592874 543408354 /nfs/dbraw/zinc/40/83/54/543408354.db2.gz RPKAWBICCQBZRA-UHFFFAOYSA-N 1 3 358.530 2.047 20 0 FEADHO COCCN1CCC(NC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000111842070 543419594 /nfs/dbraw/zinc/41/95/94/543419594.db2.gz MUDUGFLYHYOLAI-UHFFFAOYSA-N 1 3 354.539 2.053 20 0 FEADHO C[C@@H]([NH2+]C1(CNC(=O)NC[C@H]2CCCN2C)CCOCC1)c1ccccc1 ZINC000113604356 543492746 /nfs/dbraw/zinc/49/27/46/543492746.db2.gz QXTBEVBLZBGJND-IEBWSBKVSA-N 1 3 374.529 2.280 20 0 FEADHO CC[N@@H+]1CC[C@@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000116732591 543613761 /nfs/dbraw/zinc/61/37/61/543613761.db2.gz ZPYUUQFEMVFFNQ-IBGZPJMESA-N 1 3 358.530 2.047 20 0 FEADHO CC[N@H+]1CC[C@@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000116732591 543613763 /nfs/dbraw/zinc/61/37/63/543613763.db2.gz ZPYUUQFEMVFFNQ-IBGZPJMESA-N 1 3 358.530 2.047 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CN1C1CC1 ZINC000123419409 543761041 /nfs/dbraw/zinc/76/10/41/543761041.db2.gz SFGAOVLRSRJJGQ-RDJZCZTQSA-N 1 3 360.502 2.051 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)N(CCN(C)C)C2CCCC2)CC1 ZINC000124118500 543802076 /nfs/dbraw/zinc/80/20/76/543802076.db2.gz WNIIKEDHRZEKNR-UHFFFAOYSA-N 1 3 354.539 2.003 20 0 FEADHO Cc1csc(N2CCC([NH2+]CCCN3CCCN(C)CC3)CC2)n1 ZINC000128280829 544043481 /nfs/dbraw/zinc/04/34/81/544043481.db2.gz PBHQOLWCTLOFST-UHFFFAOYSA-N 1 3 351.564 2.038 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000129350495 544107017 /nfs/dbraw/zinc/10/70/17/544107017.db2.gz ZCPLIGDMYNRNAF-QGZVFWFLSA-N 1 3 362.493 2.383 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000129350495 544107018 /nfs/dbraw/zinc/10/70/18/544107018.db2.gz ZCPLIGDMYNRNAF-QGZVFWFLSA-N 1 3 362.493 2.383 20 0 FEADHO CC(C)C(=O)Nc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000131254194 544182341 /nfs/dbraw/zinc/18/23/41/544182341.db2.gz WMGOVQTYKGDYHM-UHFFFAOYSA-N 1 3 363.506 2.238 20 0 FEADHO CN1CCC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000139911376 544405426 /nfs/dbraw/zinc/40/54/26/544405426.db2.gz MDMHUXGDBXFOKP-GOSISDBHSA-N 1 3 362.543 2.494 20 0 FEADHO C[C@H](COc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000151480678 544547189 /nfs/dbraw/zinc/54/71/89/544547189.db2.gz VFLHIKGZYWIICX-QGZVFWFLSA-N 1 3 359.514 2.376 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000154325991 544891140 /nfs/dbraw/zinc/89/11/40/544891140.db2.gz SRCSDCQLWUQYFR-OALUTQOASA-N 1 3 351.535 2.257 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000154325991 544891142 /nfs/dbraw/zinc/89/11/42/544891142.db2.gz SRCSDCQLWUQYFR-OALUTQOASA-N 1 3 351.535 2.257 20 0 FEADHO CCN1CCN(CCC[NH2+]C2CCN(c3nc(C)cs3)CC2)CC1 ZINC000154242300 544880692 /nfs/dbraw/zinc/88/06/92/544880692.db2.gz QTITZIPGSOGFAY-UHFFFAOYSA-N 1 3 351.564 2.038 20 0 FEADHO CCOC[C@@H]1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000553164301 674242681 /nfs/dbraw/zinc/24/26/81/674242681.db2.gz LFICJCMNRARZNA-QGZVFWFLSA-N 1 3 351.535 2.068 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2)CC1 ZINC000184957248 327891991 /nfs/dbraw/zinc/89/19/91/327891991.db2.gz GNNSDEDXRDJTGL-DFQSSKMNSA-N 1 3 356.514 2.026 20 0 FEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000186121071 327947803 /nfs/dbraw/zinc/94/78/03/327947803.db2.gz KTFCBZVGOLLSLH-SFHVURJKSA-N 1 3 366.550 2.005 20 0 FEADHO CCO[C@H]1C[C@](N)(C(=O)NCC2CC[NH+](CCC(C)C)CC2)C1(C)C ZINC000188265040 328076515 /nfs/dbraw/zinc/07/65/15/328076515.db2.gz VKNWZCJHVCCXCY-PXNSSMCTSA-N 1 3 353.551 2.393 20 0 FEADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188760484 328109298 /nfs/dbraw/zinc/10/92/98/328109298.db2.gz JDICKMHSVPAENA-CQSZACIVSA-N 1 3 353.470 2.011 20 0 FEADHO CC[C@@]1(CO)CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000189622989 328158675 /nfs/dbraw/zinc/15/86/75/328158675.db2.gz RMCFZGXJSLEIMU-NRFANRHFSA-N 1 3 359.514 2.136 20 0 FEADHO Cc1cc(C)c(N2CC[C@@H](N(C)CCC[NH+]3CCN(C)CC3)C2=O)c(C)c1 ZINC000191016051 328245710 /nfs/dbraw/zinc/24/57/10/328245710.db2.gz FLXFIGRSVHNAQE-HXUWFJFHSA-N 1 3 372.557 2.286 20 0 FEADHO CCCCNC(=O)C1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000191481681 328267829 /nfs/dbraw/zinc/26/78/29/328267829.db2.gz ZXRRERRMOPGOMV-UHFFFAOYSA-N 1 3 352.567 2.031 20 0 FEADHO CCCOc1ccc(Br)cc1CNCCN1CC[NH2+]CC1 ZINC000020968575 324392454 /nfs/dbraw/zinc/39/24/54/324392454.db2.gz GKTUCNFWIGXJPK-UHFFFAOYSA-N 1 3 356.308 2.233 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NCC1(N2CCSCC2)CCCC1 ZINC000079458541 325092025 /nfs/dbraw/zinc/09/20/25/325092025.db2.gz YPKIMQVJFXADGY-MRXNPFEDSA-N 1 3 366.575 2.132 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NCC1(N2CCSCC2)CCCC1 ZINC000079458541 325092027 /nfs/dbraw/zinc/09/20/27/325092027.db2.gz YPKIMQVJFXADGY-MRXNPFEDSA-N 1 3 366.575 2.132 20 0 FEADHO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(OCCN(C)C)cc1 ZINC000090882583 325368881 /nfs/dbraw/zinc/36/88/81/325368881.db2.gz ZOBGNPLUCMIRJE-HNNXBMFYSA-N 1 3 354.516 2.102 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccccn1)[NH+]1CCC(C)CC1 ZINC000107390122 325627414 /nfs/dbraw/zinc/62/74/14/325627414.db2.gz YJGGYCOYRBMAHK-GOSISDBHSA-N 1 3 361.534 2.275 20 0 FEADHO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000112904045 325810956 /nfs/dbraw/zinc/81/09/56/325810956.db2.gz WPEGQOGRUOZIQV-CYBMUJFWSA-N 1 3 359.873 2.198 20 0 FEADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000120235031 326242681 /nfs/dbraw/zinc/24/26/81/326242681.db2.gz KIPXCLXNPQURQD-NRFANRHFSA-N 1 3 373.541 2.424 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)[C@H](C)C1 ZINC000120615446 326273040 /nfs/dbraw/zinc/27/30/40/326273040.db2.gz OICGTQQPUHDRGJ-YDZRNGNQSA-N 1 3 368.566 2.105 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)[C@H](C)C1 ZINC000120615446 326273042 /nfs/dbraw/zinc/27/30/42/326273042.db2.gz OICGTQQPUHDRGJ-YDZRNGNQSA-N 1 3 368.566 2.105 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CN1C1CC1 ZINC000120872036 326295421 /nfs/dbraw/zinc/29/54/21/326295421.db2.gz ODKTWKIMNAZRDU-NVXWUHKLSA-N 1 3 360.502 2.051 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000121385493 326334703 /nfs/dbraw/zinc/33/47/03/326334703.db2.gz YRHHYAHOICULRW-IAGOWNOFSA-N 1 3 367.559 2.014 20 0 FEADHO COc1ccc([C@@H](CNC(=O)[C@@H]2CC23CC[NH2+]CC3)N2CCCC2)cc1 ZINC000137165593 326658524 /nfs/dbraw/zinc/65/85/24/326658524.db2.gz ZMJYGKLVRUZFRE-RBUKOAKNSA-N 1 3 357.498 2.338 20 0 FEADHO CN(c1ccccc1CN[C@H]1CC(=O)N(C2CC2)C1)C1CC[NH+](C)CC1 ZINC000151073980 326674316 /nfs/dbraw/zinc/67/43/16/326674316.db2.gz UQZRCTNYMFNQNT-KRWDZBQOSA-N 1 3 356.514 2.070 20 0 FEADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@@]2(F)CCNC2)ccc1OC ZINC000166185810 327080842 /nfs/dbraw/zinc/08/08/42/327080842.db2.gz XNXAVDVHULOPLL-GOSISDBHSA-N 1 3 353.438 2.056 20 0 FEADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])ccc2oc1=O ZINC000166617985 327082507 /nfs/dbraw/zinc/08/25/07/327082507.db2.gz WTUJGWAVKCBXMA-HZPDHXFCSA-N 1 3 374.485 2.392 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000173298393 327248237 /nfs/dbraw/zinc/24/82/37/327248237.db2.gz MBUIOHZUJGROCF-YLJYHZDGSA-N 1 3 361.530 2.416 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000173518305 327263397 /nfs/dbraw/zinc/26/33/97/327263397.db2.gz MONJAMTVACBBGL-IBGZPJMESA-N 1 3 362.518 2.000 20 0 FEADHO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000173568015 327267201 /nfs/dbraw/zinc/26/72/01/327267201.db2.gz SNFJJLCZEAANTC-HXUWFJFHSA-N 1 3 354.498 2.438 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)NCc2cccc(OCCN(C)C)c2)CC[N@@H+]1C ZINC000173755131 327281627 /nfs/dbraw/zinc/28/16/27/327281627.db2.gz BZTBUACCXSNFLF-FUHWJXTLSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)NCc2cccc(OCCN(C)C)c2)CC[N@H+]1C ZINC000173755131 327281629 /nfs/dbraw/zinc/28/16/29/327281629.db2.gz BZTBUACCXSNFLF-FUHWJXTLSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCN1C ZINC000173755131 327281630 /nfs/dbraw/zinc/28/16/30/327281630.db2.gz BZTBUACCXSNFLF-FUHWJXTLSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)C[C@@H](C)O1 ZINC000178740244 327603594 /nfs/dbraw/zinc/60/35/94/327603594.db2.gz VAEBPQPAYBACIV-HLIPFELVSA-N 1 3 359.514 2.077 20 0 FEADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c2cccs2)CC1 ZINC000261711890 328813676 /nfs/dbraw/zinc/81/36/76/328813676.db2.gz ISMNBGDTZHTJPS-PMPSAXMXSA-N 1 3 351.516 2.144 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N(C)CCN(C)C)cc1 ZINC000267197843 329301510 /nfs/dbraw/zinc/30/15/10/329301510.db2.gz RVQNICDYRDERLC-UHFFFAOYSA-N 1 3 350.507 2.110 20 0 FEADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000267230483 329304790 /nfs/dbraw/zinc/30/47/90/329304790.db2.gz WLEAITYNERNKGL-LJQANCHMSA-N 1 3 364.559 2.375 20 0 FEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000267230483 329304791 /nfs/dbraw/zinc/30/47/91/329304791.db2.gz WLEAITYNERNKGL-LJQANCHMSA-N 1 3 364.559 2.375 20 0 FEADHO CN(CCc1nc(-c2ccccc2)no1)CCN(C)C1CC[NH+](C)CC1 ZINC000267493674 329332955 /nfs/dbraw/zinc/33/29/55/329332955.db2.gz XPMDAXUBIMAWFX-UHFFFAOYSA-N 1 3 357.502 2.237 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000268114399 329386522 /nfs/dbraw/zinc/38/65/22/329386522.db2.gz JXBAKOJUCSOQKS-QFUCXCTJSA-N 1 3 370.541 2.333 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000268114399 329386523 /nfs/dbraw/zinc/38/65/23/329386523.db2.gz JXBAKOJUCSOQKS-QFUCXCTJSA-N 1 3 370.541 2.333 20 0 FEADHO COc1cc(OC)c(OC)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000268455489 329421828 /nfs/dbraw/zinc/42/18/28/329421828.db2.gz XLVMVBBJNYIZNN-UHFFFAOYSA-N 1 3 352.475 2.037 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@]3(C)CCC[NH2+]C3)CC2)c1 ZINC000273064204 329834202 /nfs/dbraw/zinc/83/42/02/329834202.db2.gz ZGUJKARVQKCBGH-NRFANRHFSA-N 1 3 358.530 2.013 20 0 FEADHO O=C(CN1CC[C@@]2(C1)CCCOC2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000367081103 330214737 /nfs/dbraw/zinc/21/47/37/330214737.db2.gz QTTZLBWCRQXRPJ-JOCHJYFZSA-N 1 3 371.525 2.401 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367262004 330237650 /nfs/dbraw/zinc/23/76/50/330237650.db2.gz HTGDCAKCVFOCHI-JXFKEZNVSA-N 1 3 371.529 2.422 20 0 FEADHO C[C@@H]1CN(CCc2nc(-c3ccccc3)no2)CC[N@@H+]1C1CCN(C)CC1 ZINC000371455487 330243659 /nfs/dbraw/zinc/24/36/59/330243659.db2.gz DAXMJHBGHLQOBT-QGZVFWFLSA-N 1 3 369.513 2.379 20 0 FEADHO C[C@@H]1CN(CCc2nc(-c3ccccc3)no2)CC[N@H+]1C1CCN(C)CC1 ZINC000371455487 330243660 /nfs/dbraw/zinc/24/36/60/330243660.db2.gz DAXMJHBGHLQOBT-QGZVFWFLSA-N 1 3 369.513 2.379 20 0 FEADHO CCN(CC)[C@H](CNC(=O)CCCN1CCC([NH3+])CC1)c1ccsc1 ZINC000433158787 330273873 /nfs/dbraw/zinc/27/38/73/330273873.db2.gz QLSAKPQDYWKMRX-GOSISDBHSA-N 1 3 366.575 2.451 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000155594892 545546311 /nfs/dbraw/zinc/54/63/11/545546311.db2.gz KGOMKSXMGXFHFG-BBRMVZONSA-N 1 3 370.900 2.470 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC000156568285 545636335 /nfs/dbraw/zinc/63/63/35/545636335.db2.gz IICCTOFRDMGGPY-PKOBYXMFSA-N 1 3 358.530 2.416 20 0 FEADHO CN(C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000477431496 561144811 /nfs/dbraw/zinc/14/48/11/561144811.db2.gz USVWKCWBGFXCIF-CTNGQTDRSA-N 1 3 370.541 2.429 20 0 FEADHO CN(C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000477431496 561144812 /nfs/dbraw/zinc/14/48/12/561144812.db2.gz USVWKCWBGFXCIF-CTNGQTDRSA-N 1 3 370.541 2.429 20 0 FEADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000477631188 561149784 /nfs/dbraw/zinc/14/97/84/561149784.db2.gz BIIGUDSJLRDVIA-UXHICEINSA-N 1 3 361.530 2.426 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000477766622 561152790 /nfs/dbraw/zinc/15/27/90/561152790.db2.gz SSJKRLJSBZRTCV-VQIMIIECSA-N 1 3 361.530 2.426 20 0 FEADHO CSCC[C@H](N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000158174485 545830624 /nfs/dbraw/zinc/83/06/24/545830624.db2.gz JXHCDZRPQUWSAY-KRWDZBQOSA-N 1 3 350.532 2.227 20 0 FEADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(Br)cc2)CC[N@@H+]1C ZINC000158236584 545838258 /nfs/dbraw/zinc/83/82/58/545838258.db2.gz ZGCBMPVHIDOQAW-SNPRPXQTSA-N 1 3 357.292 2.261 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000158463099 545861794 /nfs/dbraw/zinc/86/17/94/545861794.db2.gz NUILBZXGCXSHMJ-INIZCTEOSA-N 1 3 359.518 2.248 20 0 FEADHO COCCCN1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000158693682 545886467 /nfs/dbraw/zinc/88/64/67/545886467.db2.gz XPMKNSGRCLJCNW-IBGZPJMESA-N 1 3 366.550 2.147 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000479377644 561188421 /nfs/dbraw/zinc/18/84/21/561188421.db2.gz GRJAJXHNMSXMMH-IBGZPJMESA-N 1 3 362.518 2.329 20 0 FEADHO CC1CC[NH+](CCNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000479380214 561188589 /nfs/dbraw/zinc/18/85/89/561188589.db2.gz JAWPLFWYZUSHQX-GOSISDBHSA-N 1 3 350.482 2.460 20 0 FEADHO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000176216704 546420940 /nfs/dbraw/zinc/42/09/40/546420940.db2.gz AWNAQDFXUGMUFE-UHFFFAOYSA-N 1 3 374.529 2.459 20 0 FEADHO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000176216704 546420942 /nfs/dbraw/zinc/42/09/42/546420942.db2.gz AWNAQDFXUGMUFE-UHFFFAOYSA-N 1 3 374.529 2.459 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000176411579 546442210 /nfs/dbraw/zinc/44/22/10/546442210.db2.gz BSDUNIQFHBIWLR-OAHLLOKOSA-N 1 3 350.532 2.306 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000176411579 546442215 /nfs/dbraw/zinc/44/22/15/546442215.db2.gz BSDUNIQFHBIWLR-OAHLLOKOSA-N 1 3 350.532 2.306 20 0 FEADHO COC1(C[NH2+]Cc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)CCCC1 ZINC000480369086 561207924 /nfs/dbraw/zinc/20/79/24/561207924.db2.gz AGCCEEFDWNVEBJ-LJQANCHMSA-N 1 3 359.514 2.433 20 0 FEADHO C[C@@H](NC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000177385333 546605507 /nfs/dbraw/zinc/60/55/07/546605507.db2.gz RQZGLHLDLHISDD-QZTJIDSGSA-N 1 3 360.546 2.210 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)c1 ZINC000177453425 546621574 /nfs/dbraw/zinc/62/15/74/546621574.db2.gz XSPLUEJRIXTYGF-VQTJNVASSA-N 1 3 372.557 2.496 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481275711 561229551 /nfs/dbraw/zinc/22/95/51/561229551.db2.gz ONGDQEMQICPPMC-FCEWJHQRSA-N 1 3 370.607 2.479 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481275711 561229552 /nfs/dbraw/zinc/22/95/52/561229552.db2.gz ONGDQEMQICPPMC-FCEWJHQRSA-N 1 3 370.607 2.479 20 0 FEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481291764 561229895 /nfs/dbraw/zinc/22/98/95/561229895.db2.gz MDARFZUTRQUGEO-KYHPRHEASA-N 1 3 356.580 2.089 20 0 FEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481291764 561229896 /nfs/dbraw/zinc/22/98/96/561229896.db2.gz MDARFZUTRQUGEO-KYHPRHEASA-N 1 3 356.580 2.089 20 0 FEADHO CCCN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000178893138 546868451 /nfs/dbraw/zinc/86/84/51/546868451.db2.gz UHKGODCORURSQE-HXUWFJFHSA-N 1 3 358.530 2.189 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C(C)(C)O)CC1 ZINC000179430796 546951956 /nfs/dbraw/zinc/95/19/56/546951956.db2.gz VPKIMAQJJPABGW-HXUWFJFHSA-N 1 3 373.541 2.311 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000482151256 561249158 /nfs/dbraw/zinc/24/91/58/561249158.db2.gz OAMYWVJFTLZHEZ-DLBZAZTESA-N 1 3 364.534 2.341 20 0 FEADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc2ccccc2n1 ZINC000483140157 561268725 /nfs/dbraw/zinc/26/87/25/561268725.db2.gz ZNTAMGCZGYJTFH-SFHVURJKSA-N 1 3 356.514 2.276 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C12CCC2 ZINC000181975636 547415295 /nfs/dbraw/zinc/41/52/95/547415295.db2.gz FUJRDPPKVPGDSV-RBUKOAKNSA-N 1 3 359.514 2.415 20 0 FEADHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000483707817 561282548 /nfs/dbraw/zinc/28/25/48/561282548.db2.gz IAWHNICKFMNYQL-KRWDZBQOSA-N 1 3 356.555 2.105 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000182306026 547471217 /nfs/dbraw/zinc/47/12/17/547471217.db2.gz YHZQXLIECPTOSJ-UYAOXDASSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000182306026 547471220 /nfs/dbraw/zinc/47/12/20/547471220.db2.gz YHZQXLIECPTOSJ-UYAOXDASSA-N 1 3 374.529 2.253 20 0 FEADHO COCCN1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182562387 547514159 /nfs/dbraw/zinc/51/41/59/547514159.db2.gz RGUMWPMSMRAOPZ-IRXDYDNUSA-N 1 3 366.550 2.049 20 0 FEADHO COCCN1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182562387 547514163 /nfs/dbraw/zinc/51/41/63/547514163.db2.gz RGUMWPMSMRAOPZ-IRXDYDNUSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000484306864 561295938 /nfs/dbraw/zinc/29/59/38/561295938.db2.gz DDTBHTYPSJQMPG-HOJAQTOUSA-N 1 3 358.530 2.428 20 0 FEADHO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2(CN(C)C)CCCC2)cc1 ZINC000183953235 547744062 /nfs/dbraw/zinc/74/40/62/547744062.db2.gz NABPGQDUTIDEJD-OAHLLOKOSA-N 1 3 353.532 2.367 20 0 FEADHO C[NH+](C)CCOC1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000485116514 561312867 /nfs/dbraw/zinc/31/28/67/561312867.db2.gz GWPMSYJVFUCBCN-HXUWFJFHSA-N 1 3 359.514 2.220 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000184947908 547905026 /nfs/dbraw/zinc/90/50/26/547905026.db2.gz WVOUOJNYKYOYTF-OAQYLSRUSA-N 1 3 372.557 2.213 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000485773680 561327575 /nfs/dbraw/zinc/32/75/75/561327575.db2.gz HUCITDLYYMEPCD-ROUUACIJSA-N 1 3 370.501 2.016 20 0 FEADHO CN(C)Cc1ccccc1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000486058816 561337043 /nfs/dbraw/zinc/33/70/43/561337043.db2.gz LJZHKGPKGZOZGV-UHFFFAOYSA-N 1 3 358.530 2.037 20 0 FEADHO CN(C)c1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195342279 548628647 /nfs/dbraw/zinc/62/86/47/548628647.db2.gz LJYZTCRRQWKWGW-UHFFFAOYSA-N 1 3 359.518 2.433 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)C3CC[NH2+]CC3)CC2)c1 ZINC000237720282 548846788 /nfs/dbraw/zinc/84/67/88/548846788.db2.gz SEDSUNYMVIVHIJ-UHFFFAOYSA-N 1 3 358.530 2.013 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000245428848 548915672 /nfs/dbraw/zinc/91/56/72/548915672.db2.gz MUMJSPZSYIUWQD-VQTJNVASSA-N 1 3 372.557 2.448 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000245428848 548915676 /nfs/dbraw/zinc/91/56/76/548915676.db2.gz MUMJSPZSYIUWQD-VQTJNVASSA-N 1 3 372.557 2.448 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488036584 561381931 /nfs/dbraw/zinc/38/19/31/561381931.db2.gz BCMLFQAVXVIBFM-IEWDOMPSSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488036584 561381932 /nfs/dbraw/zinc/38/19/32/561381932.db2.gz BCMLFQAVXVIBFM-IEWDOMPSSA-N 1 3 350.551 2.479 20 0 FEADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCC3(N4CCSCC4)CCCC3)C2)C1 ZINC000488425043 561389751 /nfs/dbraw/zinc/38/97/51/561389751.db2.gz ZFPUWDVCDGFXBR-GOSISDBHSA-N 1 3 366.575 2.085 20 0 FEADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NCC3(N4CCSCC4)CCCC3)C2)C1 ZINC000488425043 561389752 /nfs/dbraw/zinc/38/97/52/561389752.db2.gz ZFPUWDVCDGFXBR-GOSISDBHSA-N 1 3 366.575 2.085 20 0 FEADHO CC[N@@H+]1CC[C@H](NCCNC(=O)c2cccc(Br)c2)[C@@H](C)C1 ZINC000246300099 549099690 /nfs/dbraw/zinc/09/96/90/549099690.db2.gz CYLGOGDZJTVZPK-BBRMVZONSA-N 1 3 368.319 2.499 20 0 FEADHO CC[N@H+]1CC[C@H](NCCNC(=O)c2cccc(Br)c2)[C@@H](C)C1 ZINC000246300099 549099692 /nfs/dbraw/zinc/09/96/92/549099692.db2.gz CYLGOGDZJTVZPK-BBRMVZONSA-N 1 3 368.319 2.499 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000247182879 549296580 /nfs/dbraw/zinc/29/65/80/549296580.db2.gz ZHFVGFUMGKXDBJ-KCZVDYSFSA-N 1 3 373.589 2.155 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCN1C(=O)NC(C)(C)C1=O ZINC000248396644 549427764 /nfs/dbraw/zinc/42/77/64/549427764.db2.gz KKUNRDBIASIBJA-VQFNDLOPSA-N 1 3 372.513 2.063 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCN1C(=O)NC(C)(C)C1=O ZINC000248396644 549427770 /nfs/dbraw/zinc/42/77/70/549427770.db2.gz KKUNRDBIASIBJA-VQFNDLOPSA-N 1 3 372.513 2.063 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000248856950 549515134 /nfs/dbraw/zinc/51/51/34/549515134.db2.gz PJXZGEBIIYNWIK-MISYRCLQSA-N 1 3 356.514 2.387 20 0 FEADHO CCCCNC(=O)NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248934939 549529242 /nfs/dbraw/zinc/52/92/42/549529242.db2.gz BVHASNRIAVRZKL-YRWFTTLQSA-N 1 3 374.529 2.359 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCCC[C@@H]2CC[NH3+])CC1 ZINC000489824058 561419778 /nfs/dbraw/zinc/41/97/78/561419778.db2.gz CHDUSHOZMNYYGL-OAQYLSRUSA-N 1 3 372.557 2.233 20 0 FEADHO COc1cc(NC(=O)CCN2CCCC[C@@H]2CC[NH3+])cc(OC)c1OC ZINC000489830902 561420093 /nfs/dbraw/zinc/42/00/93/561420093.db2.gz ZDGLEHDXKOEZGX-OAHLLOKOSA-N 1 3 365.474 2.244 20 0 FEADHO COCC1(CNC(=O)c2oc3ccccc3c2CN(C)C)CC[NH2+]CC1 ZINC000261650584 549739221 /nfs/dbraw/zinc/73/92/21/549739221.db2.gz DCMAEJHBKFQGQL-UHFFFAOYSA-N 1 3 359.470 2.240 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](N)C2CCOCC2)cc1 ZINC000261737303 549749630 /nfs/dbraw/zinc/74/96/30/549749630.db2.gz KGRLXAGICVWIQW-OXQOHEQNSA-N 1 3 359.514 2.431 20 0 FEADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](N)C2CCOCC2)cc1 ZINC000261737303 549749632 /nfs/dbraw/zinc/74/96/32/549749632.db2.gz KGRLXAGICVWIQW-OXQOHEQNSA-N 1 3 359.514 2.431 20 0 FEADHO CC(C)N(C)c1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000261966887 549775449 /nfs/dbraw/zinc/77/54/49/549775449.db2.gz PXOBPLLFBPSVKY-IEBWSBKVSA-N 1 3 373.545 2.006 20 0 FEADHO c1ccc(COc2ccccc2CN2CC[C@H](N3CC[NH2+]CC3)C2)nc1 ZINC000262094939 549788055 /nfs/dbraw/zinc/78/80/55/549788055.db2.gz HTOQPBMNPUASFZ-FQEVSTJZSA-N 1 3 352.482 2.140 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)c1 ZINC000262258611 549803083 /nfs/dbraw/zinc/80/30/83/549803083.db2.gz LZZPJCCQDCTUFH-UHFFFAOYSA-N 1 3 355.486 2.442 20 0 FEADHO COCC1(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC[NH2+]CC1 ZINC000262447046 549820547 /nfs/dbraw/zinc/82/05/47/549820547.db2.gz YYMNPXFFBQXZRA-MRXNPFEDSA-N 1 3 365.543 2.093 20 0 FEADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)CCCCCC[NH3+])cc2)C1 ZINC000262624648 549833206 /nfs/dbraw/zinc/83/32/06/549833206.db2.gz BALWSWWYYBKUCE-KRWDZBQOSA-N 1 3 360.502 2.232 20 0 FEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262850196 549855596 /nfs/dbraw/zinc/85/55/96/549855596.db2.gz VDWMYQQDSWKMLX-WMZOPIPTSA-N 1 3 355.486 2.058 20 0 FEADHO CCc1ccc([C@H](CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)N(C)C)cc1 ZINC000262880515 549859004 /nfs/dbraw/zinc/85/90/04/549859004.db2.gz YXNSSMYHQVAUSM-QUCCMNQESA-N 1 3 369.513 2.403 20 0 FEADHO COc1cc(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])ccc1OCCN(C)C ZINC000263061518 549874893 /nfs/dbraw/zinc/87/48/93/549874893.db2.gz VKZGHFVKRKQTEL-OXJNMPFZSA-N 1 3 363.502 2.159 20 0 FEADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3CCCC[C@]3(C)[NH3+])cc2)CC1 ZINC000263107464 549878151 /nfs/dbraw/zinc/87/81/51/549878151.db2.gz ABZLLZFHEQFJTB-IRLDBZIGSA-N 1 3 372.557 2.348 20 0 FEADHO CC[NH+]1CCC(NCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000268763341 550113592 /nfs/dbraw/zinc/11/35/92/550113592.db2.gz AOWKIPIMLBPKGP-UHFFFAOYSA-N 1 3 354.292 2.253 20 0 FEADHO C[NH+](C)C/C=C/C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000269404181 550191334 /nfs/dbraw/zinc/19/13/34/550191334.db2.gz DADBZCMJQBVNDX-AHKGRUIUSA-N 1 3 353.470 2.386 20 0 FEADHO Cc1cc2ncc([C@H](C)[NH2+]C3CCN([C@@H]4CCC[C@@H]4O)CC3)c(C)n2n1 ZINC000271537282 550383657 /nfs/dbraw/zinc/38/36/57/550383657.db2.gz SCAINDZSDGUFOY-KYNGSXCRSA-N 1 3 357.502 2.375 20 0 FEADHO CN1CCCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000271763344 550400121 /nfs/dbraw/zinc/40/01/21/550400121.db2.gz VVTTYBZCKMAFTQ-UHFFFAOYSA-N 1 3 374.529 2.051 20 0 FEADHO CN1CCN(CCCNC(=O)[C@H]2CCCN2C2CC2)[C@H](c2ccccc2)C1 ZINC000494310598 561466795 /nfs/dbraw/zinc/46/67/95/561466795.db2.gz KNBWEYBKVFAPTK-RTWAWAEBSA-N 1 3 370.541 2.108 20 0 FEADHO CN1CCN(CCCNC(=O)[C@H]2CCC[N@@H+]2C2CC2)[C@H](c2ccccc2)C1 ZINC000494310598 561466796 /nfs/dbraw/zinc/46/67/96/561466796.db2.gz KNBWEYBKVFAPTK-RTWAWAEBSA-N 1 3 370.541 2.108 20 0 FEADHO CN1CCN(CCCNC(=O)[C@H]2CCC[N@H+]2C2CC2)[C@H](c2ccccc2)C1 ZINC000494310598 561466797 /nfs/dbraw/zinc/46/67/97/561466797.db2.gz KNBWEYBKVFAPTK-RTWAWAEBSA-N 1 3 370.541 2.108 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)[C@@H]2C1 ZINC000272347097 550439571 /nfs/dbraw/zinc/43/95/71/550439571.db2.gz NWADIWIYKZZIOJ-PWRODBHTSA-N 1 3 370.541 2.287 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)[C@@H]2C1 ZINC000272347097 550439573 /nfs/dbraw/zinc/43/95/73/550439573.db2.gz NWADIWIYKZZIOJ-PWRODBHTSA-N 1 3 370.541 2.287 20 0 FEADHO CC(C)N1CCN(C2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)CC1 ZINC000273343905 550494883 /nfs/dbraw/zinc/49/48/83/550494883.db2.gz UCNRJBXOAQLKQC-JOCHJYFZSA-N 1 3 359.558 2.471 20 0 FEADHO C[C@H](CCN1CCN(C)CC1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000274441048 550538089 /nfs/dbraw/zinc/53/80/89/550538089.db2.gz DQFYJFXHEJHLGK-LJQANCHMSA-N 1 3 372.557 2.041 20 0 FEADHO COC[C@@H](C)OC[C@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000278434746 550785811 /nfs/dbraw/zinc/78/58/11/550785811.db2.gz VHKGKRJGABHCNR-YLJYHZDGSA-N 1 3 365.518 2.032 20 0 FEADHO COC[C@@H](C)OC[C@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000278434746 550785812 /nfs/dbraw/zinc/78/58/12/550785812.db2.gz VHKGKRJGABHCNR-YLJYHZDGSA-N 1 3 365.518 2.032 20 0 FEADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279094914 550853482 /nfs/dbraw/zinc/85/34/82/550853482.db2.gz WRDHTXDTBNQSAD-APWZRJJASA-N 1 3 353.470 2.054 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@]34CCC[C@@H]3C[NH2+]C4)CC2)cc1 ZINC000280701046 551023220 /nfs/dbraw/zinc/02/32/20/551023220.db2.gz CIYSACZDRRSFJC-KNQAVFIVSA-N 1 3 371.525 2.413 20 0 FEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282191922 551192880 /nfs/dbraw/zinc/19/28/80/551192880.db2.gz GGYYJZYRKZMEBP-INIZCTEOSA-N 1 3 362.518 2.028 20 0 FEADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000282421902 551226475 /nfs/dbraw/zinc/22/64/75/551226475.db2.gz STCAFQLXHVMBCS-FPOVZHCZSA-N 1 3 374.573 2.064 20 0 FEADHO CN(C)[C@@]1(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)CCSC1 ZINC000497566512 561504051 /nfs/dbraw/zinc/50/40/51/561504051.db2.gz VSXGCOFOWQSPDJ-LJQANCHMSA-N 1 3 368.591 2.378 20 0 FEADHO CCN1C[C@@H](C)N(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000498573852 561529151 /nfs/dbraw/zinc/52/91/51/561529151.db2.gz VRUFQYDEAQEQKO-RBUKOAKNSA-N 1 3 358.530 2.140 20 0 FEADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286225660 551863228 /nfs/dbraw/zinc/86/32/28/551863228.db2.gz SOXWPKBRKMBSGQ-KYNGSXCRSA-N 1 3 373.497 2.436 20 0 FEADHO CN(C(=O)CCN1CCN(c2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286291018 551870504 /nfs/dbraw/zinc/87/05/04/551870504.db2.gz RYBZPBTYAJLYLF-WCRBZPEASA-N 1 3 370.541 2.282 20 0 FEADHO CN(C(=O)CCN1CCN(c2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286291018 551870505 /nfs/dbraw/zinc/87/05/05/551870505.db2.gz RYBZPBTYAJLYLF-WCRBZPEASA-N 1 3 370.541 2.282 20 0 FEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)[C@@H]1CCC[C@H]1O ZINC000286647930 551910491 /nfs/dbraw/zinc/91/04/91/551910491.db2.gz UBLALELFPSUOOZ-PWIZWCRZSA-N 1 3 359.514 2.001 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000287583772 552021888 /nfs/dbraw/zinc/02/18/88/552021888.db2.gz HODWHHMVWPDDRV-JKSUJKDBSA-N 1 3 373.419 2.178 20 0 FEADHO COCCOc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000289499465 552331515 /nfs/dbraw/zinc/33/15/15/552331515.db2.gz SRPFQICJDFGJRX-UHFFFAOYSA-N 1 3 361.530 2.171 20 0 FEADHO COc1cc(OC)c(OC)cc1CN(C)CCCN(C)CC[NH+](C)C ZINC000290122447 552430459 /nfs/dbraw/zinc/43/04/59/552430459.db2.gz IZRZZTHPZVBGHN-UHFFFAOYSA-N 1 3 353.507 2.028 20 0 FEADHO Cc1ccc(NC(=O)C23CCCN2CCC3)cc1NC(=O)CC[NH+](C)C ZINC000290734825 552528684 /nfs/dbraw/zinc/52/86/84/552528684.db2.gz MJIDHZDWKAZKEF-UHFFFAOYSA-N 1 3 358.486 2.452 20 0 FEADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NCCCN3CCc4ccccc4C3)C2)C1 ZINC000291595851 552641181 /nfs/dbraw/zinc/64/11/81/552641181.db2.gz HYYYJBFSTIITOT-NRFANRHFSA-N 1 3 356.514 2.172 20 0 FEADHO C[N@H+]1CC[C@]2(CCN(C(=O)NCCCN3CCc4ccccc4C3)C2)C1 ZINC000291595851 552641182 /nfs/dbraw/zinc/64/11/82/552641182.db2.gz HYYYJBFSTIITOT-NRFANRHFSA-N 1 3 356.514 2.172 20 0 FEADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC3CCN(CCc4ccccc4)CC3)C2)C1 ZINC000291653683 552647540 /nfs/dbraw/zinc/64/75/40/552647540.db2.gz KUKRRDJDURVODZ-QFIPXVFZSA-N 1 3 370.541 2.431 20 0 FEADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC3CCN(CCc4ccccc4)CC3)C2)C1 ZINC000291653683 552647541 /nfs/dbraw/zinc/64/75/41/552647541.db2.gz KUKRRDJDURVODZ-QFIPXVFZSA-N 1 3 370.541 2.431 20 0 FEADHO CC[C@@H](C(=O)NCc1ccncc1OCCC[NH+](C)C)N(CC)CC ZINC000293422284 552822072 /nfs/dbraw/zinc/82/20/72/552822072.db2.gz NVKQZJXNHBRXJR-KRWDZBQOSA-N 1 3 350.507 2.149 20 0 FEADHO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000294440043 552906309 /nfs/dbraw/zinc/90/63/09/552906309.db2.gz XTOUPTGPFDBFFB-MRXNPFEDSA-N 1 3 355.482 2.404 20 0 FEADHO C[C@H](CN1CCC(C(=O)NCC[NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000294741926 552930659 /nfs/dbraw/zinc/93/06/59/552930659.db2.gz HMLXUFCZMKEAEW-CQSZACIVSA-N 1 3 353.457 2.458 20 0 FEADHO COc1nccc(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000294933594 552945463 /nfs/dbraw/zinc/94/54/63/552945463.db2.gz CFEUOVXCAHZAGB-UHFFFAOYSA-N 1 3 356.470 2.292 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000297303828 553275808 /nfs/dbraw/zinc/27/58/08/553275808.db2.gz HXJYLXOQEAWFLX-FPOVZHCZSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000297303828 553275810 /nfs/dbraw/zinc/27/58/10/553275810.db2.gz HXJYLXOQEAWFLX-FPOVZHCZSA-N 1 3 358.530 2.287 20 0 FEADHO COc1cc(C[NH2+]C2CCN(c3ccncc3)CC2)ccc1OCCO ZINC000298272950 553406537 /nfs/dbraw/zinc/40/65/37/553406537.db2.gz GNGQOVMGNPEBEE-UHFFFAOYSA-N 1 3 357.454 2.220 20 0 FEADHO C[NH+](C)CCOc1ccc(CNCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000299357530 553552581 /nfs/dbraw/zinc/55/25/81/553552581.db2.gz TVNZXHNCTPVMIK-UHFFFAOYSA-N 1 3 367.449 2.013 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000299422681 553561048 /nfs/dbraw/zinc/56/10/48/553561048.db2.gz UPVOSWSPMSFCAW-ZDWTUXFCSA-N 1 3 359.514 2.028 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nc(C(C)C)no1 ZINC000505753939 561679490 /nfs/dbraw/zinc/67/94/90/561679490.db2.gz ASCXOLOOXFPCGT-INIZCTEOSA-N 1 3 365.522 2.000 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nc(C(C)C)no1 ZINC000505753939 561679492 /nfs/dbraw/zinc/67/94/92/561679492.db2.gz ASCXOLOOXFPCGT-INIZCTEOSA-N 1 3 365.522 2.000 20 0 FEADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000330184428 554080094 /nfs/dbraw/zinc/08/00/94/554080094.db2.gz QTBRHIVFNORLES-JXXFODFXSA-N 1 3 368.485 2.364 20 0 FEADHO C[N@H+]1CCC[C@@H]1CCN1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000330184428 554080096 /nfs/dbraw/zinc/08/00/96/554080096.db2.gz QTBRHIVFNORLES-JXXFODFXSA-N 1 3 368.485 2.364 20 0 FEADHO C[N@@H+]1CCC[C@H]1CCN1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000330184427 554080279 /nfs/dbraw/zinc/08/02/79/554080279.db2.gz QTBRHIVFNORLES-GQIGUUNPSA-N 1 3 368.485 2.364 20 0 FEADHO C[N@H+]1CCC[C@H]1CCN1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000330184427 554080280 /nfs/dbraw/zinc/08/02/80/554080280.db2.gz QTBRHIVFNORLES-GQIGUUNPSA-N 1 3 368.485 2.364 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCNCC[C@@H]3C)CC2)cc1 ZINC000333242273 554593381 /nfs/dbraw/zinc/59/33/81/554593381.db2.gz FDFJHUSGBPGECY-LPHOPBHVSA-N 1 3 365.543 2.126 20 0 FEADHO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000333279853 554598119 /nfs/dbraw/zinc/59/81/19/554598119.db2.gz MFTMPSYXMPXTSX-OKZBNKHCSA-N 1 3 371.591 2.480 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NCC2(N3CCSCC3)CCCCC2)CC[NH2+]1 ZINC000333437343 554613218 /nfs/dbraw/zinc/61/32/18/554613218.db2.gz VNUQNYWFRPDSHY-HZPDHXFCSA-N 1 3 354.564 2.178 20 0 FEADHO [NH3+]C[C@H]1CCCCN1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000333456803 554615068 /nfs/dbraw/zinc/61/50/68/554615068.db2.gz YKBHAEMIWFCFOZ-MRXNPFEDSA-N 1 3 354.564 2.261 20 0 FEADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000333581591 554625354 /nfs/dbraw/zinc/62/53/54/554625354.db2.gz NZVFMJSURWTAEV-HZPDHXFCSA-N 1 3 354.564 2.307 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)[C@H](C)C1 ZINC000510985785 561853217 /nfs/dbraw/zinc/85/32/17/561853217.db2.gz SKVTVKFNNGYDSE-WBVHZDCISA-N 1 3 361.486 2.244 20 0 FEADHO C[NH+](C)CCCC1CCN(CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000511170754 561860026 /nfs/dbraw/zinc/86/00/26/561860026.db2.gz KTWBIUKNQSZHAA-UHFFFAOYSA-N 1 3 359.514 2.429 20 0 FEADHO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)CC1 ZINC000361754972 554932662 /nfs/dbraw/zinc/93/26/62/554932662.db2.gz JCLXCMXBBHSYHF-GOSISDBHSA-N 1 3 366.550 2.002 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000362622659 554976437 /nfs/dbraw/zinc/97/64/37/554976437.db2.gz OJHQLFKHNSBMRV-LJQANCHMSA-N 1 3 358.530 2.429 20 0 FEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000363518779 555126027 /nfs/dbraw/zinc/12/60/27/555126027.db2.gz AIMJCJOJVLLZRP-IEBWSBKVSA-N 1 3 361.534 2.323 20 0 FEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000363518779 555126025 /nfs/dbraw/zinc/12/60/25/555126025.db2.gz AIMJCJOJVLLZRP-IEBWSBKVSA-N 1 3 361.534 2.323 20 0 FEADHO COCCCN1CCCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000363842763 555197093 /nfs/dbraw/zinc/19/70/93/555197093.db2.gz CYAPBCDFNWDJKI-SFHVURJKSA-N 1 3 354.539 2.005 20 0 FEADHO CN(C)Cc1cccc(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000363867370 555202741 /nfs/dbraw/zinc/20/27/41/555202741.db2.gz QCMZTUBEIMGGKM-UHFFFAOYSA-N 1 3 372.557 2.238 20 0 FEADHO Cc1cccc2ncc(CN3CCC(C)(C[NH+]4CCN(C)CC4)CC3)n21 ZINC000363868494 555202913 /nfs/dbraw/zinc/20/29/13/555202913.db2.gz NJBZOUYGOKNPSU-UHFFFAOYSA-N 1 3 355.530 2.492 20 0 FEADHO CCN1CCN(C(=O)CC2CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000363880571 555205543 /nfs/dbraw/zinc/20/55/43/555205543.db2.gz WIBZYNIHCTXQLX-FQEVSTJZSA-N 1 3 364.578 2.127 20 0 FEADHO CCN1CCN(C(=O)CC2CCN(CC[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000363880571 555205544 /nfs/dbraw/zinc/20/55/44/555205544.db2.gz WIBZYNIHCTXQLX-FQEVSTJZSA-N 1 3 364.578 2.127 20 0 FEADHO CCN1CCN(C(=O)CC2CC[NH+](CC[C@@H]3CCCCN3C)CC2)CC1 ZINC000363880571 555205545 /nfs/dbraw/zinc/20/55/45/555205545.db2.gz WIBZYNIHCTXQLX-FQEVSTJZSA-N 1 3 364.578 2.127 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000363928845 555216073 /nfs/dbraw/zinc/21/60/73/555216073.db2.gz STMWITKOGJSXKF-WMZOPIPTSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000363928845 555216074 /nfs/dbraw/zinc/21/60/74/555216074.db2.gz STMWITKOGJSXKF-WMZOPIPTSA-N 1 3 366.550 2.002 20 0 FEADHO C[N@H+](CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)Cc1ccccc1 ZINC000363995086 555229494 /nfs/dbraw/zinc/22/94/94/555229494.db2.gz AJCHRGUXAGBVAP-DBXWQHBBSA-N 1 3 359.514 2.157 20 0 FEADHO C[N@@H+](CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)Cc1ccccc1 ZINC000363995086 555229499 /nfs/dbraw/zinc/22/94/99/555229499.db2.gz AJCHRGUXAGBVAP-DBXWQHBBSA-N 1 3 359.514 2.157 20 0 FEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000512277225 561898355 /nfs/dbraw/zinc/89/83/55/561898355.db2.gz FZQQHFCSMSCTRA-GOSISDBHSA-N 1 3 362.518 2.406 20 0 FEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000512277225 561898357 /nfs/dbraw/zinc/89/83/57/561898357.db2.gz FZQQHFCSMSCTRA-GOSISDBHSA-N 1 3 362.518 2.406 20 0 FEADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000364732967 555388281 /nfs/dbraw/zinc/38/82/81/555388281.db2.gz YYNNFJVVBQNNPS-NEYJZJCJSA-N 1 3 359.514 2.459 20 0 FEADHO FC(F)COCCN1CCC2(CC[N@H+](CCOCC(F)F)C2)CC1 ZINC000365291283 555533676 /nfs/dbraw/zinc/53/36/76/555533676.db2.gz OUEOZOJEDLOIEZ-UHFFFAOYSA-N 1 3 356.404 2.338 20 0 FEADHO FC(F)COCCN1CCC2(CC[N@@H+](CCOCC(F)F)C2)CC1 ZINC000365291283 555533677 /nfs/dbraw/zinc/53/36/77/555533677.db2.gz OUEOZOJEDLOIEZ-UHFFFAOYSA-N 1 3 356.404 2.338 20 0 FEADHO O=C(NC[C@H]1CCCN(CCCOc2ccc(F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000513205633 561929336 /nfs/dbraw/zinc/92/93/36/561929336.db2.gz FBXYWAZBCAITBU-VQIMIIECSA-N 1 3 363.477 2.175 20 0 FEADHO Cc1ccccc1OCCCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000513226624 561930207 /nfs/dbraw/zinc/93/02/07/561930207.db2.gz RBZUFEBPAHWNAZ-MOPGFXCFSA-N 1 3 359.514 2.344 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513525325 561941856 /nfs/dbraw/zinc/94/18/56/561941856.db2.gz KSWAYIOLHLAOOR-NQIIRXRSSA-N 1 3 353.514 2.376 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@H+](C)C2CCN(CCO)CC2)CC1 ZINC000513577604 561943517 /nfs/dbraw/zinc/94/35/17/561943517.db2.gz LGGMACQNOWHMRV-UHFFFAOYSA-N 1 3 374.573 2.107 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@@H+](C)C2CCN(CCO)CC2)CC1 ZINC000513577604 561943518 /nfs/dbraw/zinc/94/35/18/561943518.db2.gz LGGMACQNOWHMRV-UHFFFAOYSA-N 1 3 374.573 2.107 20 0 FEADHO O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000366473858 555854254 /nfs/dbraw/zinc/85/42/54/555854254.db2.gz LXOJUTUSCHTAOY-FQEVSTJZSA-N 1 3 357.498 2.266 20 0 FEADHO CN1CC[C@H]([NH2+]CCN2CCN(Cc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000514081694 561959596 /nfs/dbraw/zinc/95/95/96/561959596.db2.gz DEIWZDJHEIJBLP-FSSWDIPSSA-N 1 3 356.558 2.267 20 0 FEADHO C[N@@H+]1CC[C@H](NCCN2CCN(Cc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000514081694 561959597 /nfs/dbraw/zinc/95/95/97/561959597.db2.gz DEIWZDJHEIJBLP-FSSWDIPSSA-N 1 3 356.558 2.267 20 0 FEADHO C[N@H+]1CC[C@H](NCCN2CCN(Cc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000514081694 561959598 /nfs/dbraw/zinc/95/95/98/561959598.db2.gz DEIWZDJHEIJBLP-FSSWDIPSSA-N 1 3 356.558 2.267 20 0 FEADHO Cc1ccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(OCCN(C)C)c1 ZINC000514660838 561972154 /nfs/dbraw/zinc/97/21/54/561972154.db2.gz BCZQJHWZQRRICK-YESZJQIVSA-N 1 3 360.502 2.445 20 0 FEADHO C[N@H+](CC1CCN(c2ccncc2)CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000367903262 556168477 /nfs/dbraw/zinc/16/84/77/556168477.db2.gz JVITZTGRELBXLS-INIZCTEOSA-N 1 3 370.419 2.393 20 0 FEADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000367903262 556168479 /nfs/dbraw/zinc/16/84/79/556168479.db2.gz JVITZTGRELBXLS-INIZCTEOSA-N 1 3 370.419 2.393 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000368155499 556232158 /nfs/dbraw/zinc/23/21/58/556232158.db2.gz OKELIRDVHKBLBQ-IBGZPJMESA-N 1 3 356.514 2.089 20 0 FEADHO C[C@H]1CN(CCC2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000368222242 556252243 /nfs/dbraw/zinc/25/22/43/556252243.db2.gz KSKVDTPTGXXGBT-ROUUACIJSA-N 1 3 365.562 2.456 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@]3(CCN(C)C3)C2)C1 ZINC000368299766 556272238 /nfs/dbraw/zinc/27/22/38/556272238.db2.gz RXEZJSMEAHEALC-WSTZPKSXSA-N 1 3 350.551 2.482 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@]3(CCN(C)C3)C2)C1 ZINC000368299766 556272241 /nfs/dbraw/zinc/27/22/41/556272241.db2.gz RXEZJSMEAHEALC-WSTZPKSXSA-N 1 3 350.551 2.482 20 0 FEADHO Cc1cc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)ccc1-n1cncn1 ZINC000368585556 556353636 /nfs/dbraw/zinc/35/36/36/556353636.db2.gz RWNXAJWBDNWYFP-SFHVURJKSA-N 1 3 368.529 2.176 20 0 FEADHO Cc1cc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)ccc1-n1cncn1 ZINC000368585556 556353638 /nfs/dbraw/zinc/35/36/38/556353638.db2.gz RWNXAJWBDNWYFP-SFHVURJKSA-N 1 3 368.529 2.176 20 0 FEADHO Cc1cc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1-n1cncn1 ZINC000368585556 556353639 /nfs/dbraw/zinc/35/36/39/556353639.db2.gz RWNXAJWBDNWYFP-SFHVURJKSA-N 1 3 368.529 2.176 20 0 FEADHO O=C(NCCC[NH+]1CCCCC1)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369201243 556533783 /nfs/dbraw/zinc/53/37/83/556533783.db2.gz VPTBPJIKPISMRM-FQEVSTJZSA-N 1 3 373.545 2.469 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369219545 556539060 /nfs/dbraw/zinc/53/90/60/556539060.db2.gz FOGIKBAZEULTEH-UYAOXDASSA-N 1 3 373.545 2.467 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369219545 556539062 /nfs/dbraw/zinc/53/90/62/556539062.db2.gz FOGIKBAZEULTEH-UYAOXDASSA-N 1 3 373.545 2.467 20 0 FEADHO CCC[NH+](CCC)CCCC(=O)N1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000369310536 556571275 /nfs/dbraw/zinc/57/12/75/556571275.db2.gz RESKPQHYGVWGSP-HXUWFJFHSA-N 1 3 366.594 2.375 20 0 FEADHO C[NH+](C)CC[C@@H](NC(=O)c1cnn(CCN2CCCCC2)c1)C(C)(C)C ZINC000369377978 556584937 /nfs/dbraw/zinc/58/49/37/556584937.db2.gz OVLFCBBETFFHIV-GOSISDBHSA-N 1 3 363.550 2.465 20 0 FEADHO CCC[NH+](CCC)CCCNC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000369521553 556619127 /nfs/dbraw/zinc/61/91/27/556619127.db2.gz LRCALXYAUGNLEA-UHFFFAOYSA-N 1 3 368.566 2.395 20 0 FEADHO Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2CCCN2CCN(C(C)C)CC2)n1 ZINC000369526157 556620836 /nfs/dbraw/zinc/62/08/36/556620836.db2.gz FNKJOCLISUTGMI-FQEVSTJZSA-N 1 3 362.566 2.166 20 0 FEADHO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2CCCN2CCN(C(C)C)CC2)n1 ZINC000369526157 556620837 /nfs/dbraw/zinc/62/08/37/556620837.db2.gz FNKJOCLISUTGMI-FQEVSTJZSA-N 1 3 362.566 2.166 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000369769358 556690031 /nfs/dbraw/zinc/69/00/31/556690031.db2.gz JAYZLFNSRHZAMR-HXUWFJFHSA-N 1 3 356.514 2.139 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000369769358 556690033 /nfs/dbraw/zinc/69/00/33/556690033.db2.gz JAYZLFNSRHZAMR-HXUWFJFHSA-N 1 3 356.514 2.139 20 0 FEADHO CCOCCCNC(=[NH2+])NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000369878657 556719853 /nfs/dbraw/zinc/71/98/53/556719853.db2.gz SRJWCGKQDYENMB-UHFFFAOYSA-N 1 3 350.429 2.332 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)c2cccn2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000370201852 556809115 /nfs/dbraw/zinc/80/91/15/556809115.db2.gz PLQSABMRFQKFFA-CALCHBBNSA-N 1 3 362.518 2.032 20 0 FEADHO C[C@H](NC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000370298581 556833410 /nfs/dbraw/zinc/83/34/10/556833410.db2.gz FGNZQZUSAFOELX-VSZNYVQBSA-N 1 3 368.566 2.151 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C3CC3)C3CC[NH2+]CC3)cc2)CC1 ZINC000370786091 556967754 /nfs/dbraw/zinc/96/77/54/556967754.db2.gz HQJIMMCIYNJZCG-UHFFFAOYSA-N 1 3 356.514 2.185 20 0 FEADHO CCN(CC)[C@H](CNC(=O)NCC1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000517097669 562075810 /nfs/dbraw/zinc/07/58/10/562075810.db2.gz DPGFYKIOGSZKOC-LJQANCHMSA-N 1 3 362.518 2.377 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000371336473 557151011 /nfs/dbraw/zinc/15/10/11/557151011.db2.gz PKSUWWILONGOMI-ATZDWAIDSA-N 1 3 351.922 2.331 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000371336473 557151012 /nfs/dbraw/zinc/15/10/12/557151012.db2.gz PKSUWWILONGOMI-ATZDWAIDSA-N 1 3 351.922 2.331 20 0 FEADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC[C@@H]4CN(C5CC5)CCO4)[C@H]3C2)cc1 ZINC000371605146 557237062 /nfs/dbraw/zinc/23/70/62/557237062.db2.gz HEOKYWMGISNHBH-FKVLARQCSA-N 1 3 355.526 2.350 20 0 FEADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@@H]4CN(C5CC5)CCO4)[C@H]3C2)cc1 ZINC000371605146 557237066 /nfs/dbraw/zinc/23/70/66/557237066.db2.gz HEOKYWMGISNHBH-FKVLARQCSA-N 1 3 355.526 2.350 20 0 FEADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CN(C5CC5)CCO4)[C@H]3C2)cc1 ZINC000371605146 557237067 /nfs/dbraw/zinc/23/70/67/557237067.db2.gz HEOKYWMGISNHBH-FKVLARQCSA-N 1 3 355.526 2.350 20 0 FEADHO COCC[N@H+](C)CCCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000518403928 562110786 /nfs/dbraw/zinc/11/07/86/562110786.db2.gz YORQISSWYJBLME-MJGOQNOKSA-N 1 3 362.518 2.089 20 0 FEADHO COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000518403928 562110787 /nfs/dbraw/zinc/11/07/87/562110787.db2.gz YORQISSWYJBLME-MJGOQNOKSA-N 1 3 362.518 2.089 20 0 FEADHO COCCN(C)CCCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000518403897 562110793 /nfs/dbraw/zinc/11/07/93/562110793.db2.gz WWHIZAHTSQMQRY-IRXDYDNUSA-N 1 3 356.555 2.010 20 0 FEADHO CN1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CCCc4[nH]ncc43)CC2)CC1 ZINC000371930219 557331690 /nfs/dbraw/zinc/33/16/90/557331690.db2.gz ARIBZJYPAOCFPO-GOSISDBHSA-N 1 3 373.545 2.142 20 0 FEADHO C[N@@H+]1CC[C@H](CNC(=O)C2(N)Cc3ccccc3C2)[C@H]1c1cccs1 ZINC000372099273 557379758 /nfs/dbraw/zinc/37/97/58/557379758.db2.gz SOMSFGMPDXACKS-AEFFLSMTSA-N 1 3 355.507 2.353 20 0 FEADHO C[N@H+]1CC[C@H](CNC(=O)C2(N)Cc3ccccc3C2)[C@H]1c1cccs1 ZINC000372099273 557379760 /nfs/dbraw/zinc/37/97/60/557379760.db2.gz SOMSFGMPDXACKS-AEFFLSMTSA-N 1 3 355.507 2.353 20 0 FEADHO Cc1ccccc1NC(=O)[C@@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370077 557452590 /nfs/dbraw/zinc/45/25/90/557452590.db2.gz PGAGQJIHNNYZGH-MJGOQNOKSA-N 1 3 358.530 2.422 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000372465463 557477955 /nfs/dbraw/zinc/47/79/55/557477955.db2.gz VSTGSCAJEFWXLQ-WOCWXWTJSA-N 1 3 351.535 2.290 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000372465463 557477956 /nfs/dbraw/zinc/47/79/56/557477956.db2.gz VSTGSCAJEFWXLQ-WOCWXWTJSA-N 1 3 351.535 2.290 20 0 FEADHO O=C(CC[NH2+]C[C@@H](O)CN1CCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000519553766 562134618 /nfs/dbraw/zinc/13/46/18/562134618.db2.gz XCRVQZPTXCQHOZ-OAHLLOKOSA-N 1 3 359.392 2.080 20 0 FEADHO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000372812344 557567191 /nfs/dbraw/zinc/56/71/91/557567191.db2.gz BJWGXRARZNKCDQ-MOPGFXCFSA-N 1 3 367.497 2.202 20 0 FEADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000373187501 557646769 /nfs/dbraw/zinc/64/67/69/557646769.db2.gz VSUJZEHOWQAWLT-PKOBYXMFSA-N 1 3 363.550 2.164 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373438536 557693436 /nfs/dbraw/zinc/69/34/36/557693436.db2.gz FSSZXKDLNYIIHU-IMFGXOCKSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373438536 557693440 /nfs/dbraw/zinc/69/34/40/557693440.db2.gz FSSZXKDLNYIIHU-IMFGXOCKSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000373899745 557782996 /nfs/dbraw/zinc/78/29/96/557782996.db2.gz YIZUYKMSTQULHC-QZTJIDSGSA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC000374320371 557865067 /nfs/dbraw/zinc/86/50/67/557865067.db2.gz IGZUJOOVQVIDDP-HXUWFJFHSA-N 1 3 364.578 2.127 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC000374320371 557865068 /nfs/dbraw/zinc/86/50/68/557865068.db2.gz IGZUJOOVQVIDDP-HXUWFJFHSA-N 1 3 364.578 2.127 20 0 FEADHO Cc1nc(CO[C@H]2CC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)cs1 ZINC000374905032 557949019 /nfs/dbraw/zinc/94/90/19/557949019.db2.gz ZTBPDDYRLVYSCQ-IBGZPJMESA-N 1 3 366.575 2.459 20 0 FEADHO Cc1nc(CO[C@H]2CC[N@H+](CCCN3CCN(C(C)C)CC3)C2)cs1 ZINC000374905032 557949021 /nfs/dbraw/zinc/94/90/21/557949021.db2.gz ZTBPDDYRLVYSCQ-IBGZPJMESA-N 1 3 366.575 2.459 20 0 FEADHO Cc1cccc(C[NH+]2CCC(NC(=O)N3CCN4CCC3CC4)CC2)c1 ZINC000375201104 557991277 /nfs/dbraw/zinc/99/12/77/557991277.db2.gz PQBFZTIHEUHMIU-UHFFFAOYSA-N 1 3 356.514 2.449 20 0 FEADHO C[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000521432801 562176292 /nfs/dbraw/zinc/17/62/92/562176292.db2.gz HIXIGMPNEZDRAG-UIFIKXQLSA-N 1 3 355.526 2.398 20 0 FEADHO C[NH+]1CCC(n2ccc(=NC(=O)N3CCN(C4CCCCC4)CC3)[nH]2)CC1 ZINC000376056878 558120583 /nfs/dbraw/zinc/12/05/83/558120583.db2.gz XBFUWTDMLKPFBB-UHFFFAOYSA-N 1 3 374.533 2.632 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000376094154 558126310 /nfs/dbraw/zinc/12/63/10/558126310.db2.gz JLTGBNREIGKGFO-ZWKOTPCHSA-N 1 3 366.550 2.003 20 0 FEADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000376239472 558146338 /nfs/dbraw/zinc/14/63/38/558146338.db2.gz JRUPMIJNEPLHSS-PXNSSMCTSA-N 1 3 371.529 2.343 20 0 FEADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000376289705 558153180 /nfs/dbraw/zinc/15/31/80/558153180.db2.gz LSDNSWGTFUCOJL-PKOBYXMFSA-N 1 3 374.529 2.395 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000521703109 562182572 /nfs/dbraw/zinc/18/25/72/562182572.db2.gz OIINALOPEKAZJC-KRWDZBQOSA-N 1 3 368.566 2.295 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000521703109 562182573 /nfs/dbraw/zinc/18/25/73/562182573.db2.gz OIINALOPEKAZJC-KRWDZBQOSA-N 1 3 368.566 2.295 20 0 FEADHO CC1CC[NH+](CCCCNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000522256623 562195161 /nfs/dbraw/zinc/19/51/61/562195161.db2.gz CNVAKAAWHPWDAJ-QFIPXVFZSA-N 1 3 373.541 2.252 20 0 FEADHO COCCCN1CCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000377493288 558351027 /nfs/dbraw/zinc/35/10/27/558351027.db2.gz XVXBWPAZRNEGCE-UHFFFAOYSA-N 1 3 373.541 2.469 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)Cc1ccccc1 ZINC000522305953 562196757 /nfs/dbraw/zinc/19/67/57/562196757.db2.gz OXVSMYGUUCJFDK-QUCCMNQESA-N 1 3 358.530 2.475 20 0 FEADHO CN1CCCN(c2ccc(NC(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)cc2)CC1 ZINC000377811201 558424778 /nfs/dbraw/zinc/42/47/78/558424778.db2.gz KCJRXISEGZNWBV-VQTJNVASSA-N 1 3 356.514 2.403 20 0 FEADHO CCCCNC(=O)[C@@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378004160 558461476 /nfs/dbraw/zinc/46/14/76/558461476.db2.gz MWBKYAPFCOMBJX-GOSISDBHSA-N 1 3 366.594 2.419 20 0 FEADHO [NH3+]Cc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000390936742 558613375 /nfs/dbraw/zinc/61/33/75/558613375.db2.gz JNPZRWXMJSBVOO-FQEVSTJZSA-N 1 3 353.466 2.166 20 0 FEADHO COCCN1CC[C@H](NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000524135937 562224333 /nfs/dbraw/zinc/22/43/33/562224333.db2.gz XQNLGLLOXBODHX-PMACEKPBSA-N 1 3 374.529 2.152 20 0 FEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000524370752 562227619 /nfs/dbraw/zinc/22/76/19/562227619.db2.gz QGDDLFFWSZPLLA-PGRDOPGGSA-N 1 3 373.541 2.250 20 0 FEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000524370752 562227620 /nfs/dbraw/zinc/22/76/20/562227620.db2.gz QGDDLFFWSZPLLA-PGRDOPGGSA-N 1 3 373.541 2.250 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000525105236 562240617 /nfs/dbraw/zinc/24/06/17/562240617.db2.gz APZQVJFWOLYTBP-MJGOQNOKSA-N 1 3 358.530 2.430 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000525105236 562240618 /nfs/dbraw/zinc/24/06/18/562240618.db2.gz APZQVJFWOLYTBP-MJGOQNOKSA-N 1 3 358.530 2.430 20 0 FEADHO COC(=O)[C@@H](O)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411402865 558888581 /nfs/dbraw/zinc/88/85/81/558888581.db2.gz VDNBYQWDXMZILQ-FQEVSTJZSA-N 1 3 360.498 2.418 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000411462828 558899391 /nfs/dbraw/zinc/89/93/91/558899391.db2.gz RDBSUPYQKUHWOZ-WIYYLYMNSA-N 1 3 359.514 2.343 20 0 FEADHO C[C@@H](NCCC(=O)Nc1ccc(C(N)=O)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518699 558909142 /nfs/dbraw/zinc/90/91/42/558909142.db2.gz PXXLNRASXMPGFR-WBVHZDCISA-N 1 3 372.513 2.357 20 0 FEADHO C[C@@H](NCCC(=O)Nc1ccc(C(N)=O)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518699 558909144 /nfs/dbraw/zinc/90/91/44/558909144.db2.gz PXXLNRASXMPGFR-WBVHZDCISA-N 1 3 372.513 2.357 20 0 FEADHO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000411518699 558909147 /nfs/dbraw/zinc/90/91/47/558909147.db2.gz PXXLNRASXMPGFR-WBVHZDCISA-N 1 3 372.513 2.357 20 0 FEADHO Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)ccc1C[NH+](C)C ZINC000411527033 558910855 /nfs/dbraw/zinc/91/08/55/558910855.db2.gz DGYXMGHIFQNHHT-LPHOPBHVSA-N 1 3 372.513 2.080 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000411716033 558949558 /nfs/dbraw/zinc/94/95/58/558949558.db2.gz DCWIDEQNPXXTFM-UXHICEINSA-N 1 3 359.514 2.314 20 0 FEADHO CCN1CC[C@H](NC(=O)N[C@@H](CC[N@H+](C)CCOC)c2ccccc2)C1 ZINC000413254669 559092548 /nfs/dbraw/zinc/09/25/48/559092548.db2.gz YYFKIDKSRJUGOL-OALUTQOASA-N 1 3 362.518 2.089 20 0 FEADHO CCN1CC[C@H](NC(=O)N[C@@H](CC[N@@H+](C)CCOC)c2ccccc2)C1 ZINC000413254669 559092549 /nfs/dbraw/zinc/09/25/49/559092549.db2.gz YYFKIDKSRJUGOL-OALUTQOASA-N 1 3 362.518 2.089 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)[C@@](C)(OC)C1CC1 ZINC000413692042 559125096 /nfs/dbraw/zinc/12/50/96/559125096.db2.gz OOMHKHAVBGYEFO-YVWKXTFCSA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)[C@@](C)(OC)C1CC1 ZINC000413692042 559125097 /nfs/dbraw/zinc/12/50/97/559125097.db2.gz OOMHKHAVBGYEFO-YVWKXTFCSA-N 1 3 368.566 2.248 20 0 FEADHO CCN1CC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000413869914 559136321 /nfs/dbraw/zinc/13/63/21/559136321.db2.gz ZGEPAXYKTSDKNC-UFYCRDLUSA-N 1 3 356.514 2.244 20 0 FEADHO CCN1CC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000413869914 559136323 /nfs/dbraw/zinc/13/63/23/559136323.db2.gz ZGEPAXYKTSDKNC-UFYCRDLUSA-N 1 3 356.514 2.244 20 0 FEADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413973564 559144484 /nfs/dbraw/zinc/14/44/84/559144484.db2.gz CLKOVQDRTLKKLT-ROUUACIJSA-N 1 3 359.514 2.003 20 0 FEADHO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)cn1 ZINC000414094520 559149097 /nfs/dbraw/zinc/14/90/97/559149097.db2.gz NDBJRXHOYIWKFB-MRXNPFEDSA-N 1 3 370.497 2.102 20 0 FEADHO C[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000414186313 559151989 /nfs/dbraw/zinc/15/19/89/559151989.db2.gz HMUCGUMDHDTIKQ-HNNXBMFYSA-N 1 3 353.457 2.412 20 0 FEADHO COc1ccccc1C[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414186302 559152045 /nfs/dbraw/zinc/15/20/45/559152045.db2.gz HKDQTBMNQWBJGT-SFHVURJKSA-N 1 3 361.530 2.012 20 0 FEADHO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000414684955 559179607 /nfs/dbraw/zinc/17/96/07/559179607.db2.gz XQIOCZQCQDGEHU-DOTOQJQBSA-N 1 3 361.486 2.038 20 0 FEADHO COc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000414684955 559179608 /nfs/dbraw/zinc/17/96/08/559179608.db2.gz XQIOCZQCQDGEHU-DOTOQJQBSA-N 1 3 361.486 2.038 20 0 FEADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414745498 559184372 /nfs/dbraw/zinc/18/43/72/559184372.db2.gz KQTHGNXQLARGTE-CVEARBPZSA-N 1 3 365.905 2.251 20 0 FEADHO O=C(COc1ccccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCCC1 ZINC000414770176 559186633 /nfs/dbraw/zinc/18/66/33/559186633.db2.gz OMTKOEYSRNBFFK-HDICACEKSA-N 1 3 357.498 2.119 20 0 FEADHO Cc1nn(C)c(OCC(F)(F)F)c1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780380 559187220 /nfs/dbraw/zinc/18/72/20/559187220.db2.gz LKZICSIFVORZFW-KGLIPLIRSA-N 1 3 360.424 2.491 20 0 FEADHO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415068970 559203761 /nfs/dbraw/zinc/20/37/61/559203761.db2.gz OAOWELHWBLZYEB-OAHLLOKOSA-N 1 3 350.532 2.255 20 0 FEADHO CCOC1CC(CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)(N2CCOCC2)C1 ZINC000415094185 559204881 /nfs/dbraw/zinc/20/48/81/559204881.db2.gz DGJLFQURIHZVBH-ZMTPEHOPSA-N 1 3 353.551 2.157 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH2+]Cc2nc(-c3ccccc3F)cs2)C1 ZINC000415107370 559205476 /nfs/dbraw/zinc/20/54/76/559205476.db2.gz OQMIRHJITWZCPT-CYBMUJFWSA-N 1 3 362.474 2.236 20 0 FEADHO Cc1cc(C)c(CN2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(C)c1 ZINC000415137393 559207707 /nfs/dbraw/zinc/20/77/07/559207707.db2.gz IXDBCCTVSFSBGJ-VQTJNVASSA-N 1 3 356.514 2.332 20 0 FEADHO CC[C@H](CN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000415141592 559208292 /nfs/dbraw/zinc/20/82/92/559208292.db2.gz PQSJEWOBJHWGMM-LSTHTHJFSA-N 1 3 356.514 2.400 20 0 FEADHO [NH3+]CC1(O)CCN(Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000415141642 559208358 /nfs/dbraw/zinc/20/83/58/559208358.db2.gz NPWFXCZHCJRHDL-UHFFFAOYSA-N 1 3 354.376 2.381 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000415449240 559238280 /nfs/dbraw/zinc/23/82/80/559238280.db2.gz QYKZSVZKXIRZMT-NVXWUHKLSA-N 1 3 360.502 2.053 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415800888 559272501 /nfs/dbraw/zinc/27/25/01/559272501.db2.gz DVAFOCLPGBAPQW-RDJZCZTQSA-N 1 3 360.502 2.101 20 0 FEADHO [NH3+]C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1)C1CCCC1 ZINC000415847343 559278037 /nfs/dbraw/zinc/27/80/37/559278037.db2.gz UNELPTCESKDXST-IBGZPJMESA-N 1 3 372.513 2.245 20 0 FEADHO C[NH2+]Cc1cccc(NC(=O)NCc2ccncc2OCCN(C)C)c1 ZINC000415933795 559283256 /nfs/dbraw/zinc/28/32/56/559283256.db2.gz QDPPJGULLDLVOT-UHFFFAOYSA-N 1 3 357.458 2.063 20 0 FEADHO C[NH2+]Cc1cccc(NC(=O)N2CCN(c3ccncc3OC)CC2)c1 ZINC000415970864 559286020 /nfs/dbraw/zinc/28/60/20/559286020.db2.gz ZTQLQISNPRUJPT-UHFFFAOYSA-N 1 3 355.442 2.164 20 0 FEADHO CN(C(=O)CC1(N2CCOCC2)CCCC1)C(C)(C)C[NH+]1CCCC1 ZINC000416111339 559292380 /nfs/dbraw/zinc/29/23/80/559292380.db2.gz VGGGMYOXHMIPEK-UHFFFAOYSA-N 1 3 351.535 2.354 20 0 FEADHO CN(C)CCOc1cc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)ccn1 ZINC000416185935 559296963 /nfs/dbraw/zinc/29/69/63/559296963.db2.gz YALSXUBNHZQERC-LJQANCHMSA-N 1 3 370.497 2.331 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416227216 559299747 /nfs/dbraw/zinc/29/97/47/559299747.db2.gz WJZLBBYQCSOKNA-PXNSSMCTSA-N 1 3 359.514 2.391 20 0 FEADHO O=C(NCCC[NH2+]Cc1cccnc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416850516 559335113 /nfs/dbraw/zinc/33/51/13/559335113.db2.gz ZRZGFXAUKFMIFV-HXUWFJFHSA-N 1 3 367.497 2.135 20 0 FEADHO CCc1ccc([C@H](CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)N(C)C)cc1 ZINC000416848891 559335158 /nfs/dbraw/zinc/33/51/58/559335158.db2.gz XHYXJRDXHOGDCY-HOTGVXAUSA-N 1 3 354.445 2.148 20 0 FEADHO COc1cccc([C@H](CNC(=O)NCCC2=CC[NH2+]CC2)N2CCCC2)c1 ZINC000416856004 559335443 /nfs/dbraw/zinc/33/54/43/559335443.db2.gz QOPJNCOGQSCGNH-FQEVSTJZSA-N 1 3 372.513 2.441 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH2+]C)c1cccc(OC)c1 ZINC000416927955 559338743 /nfs/dbraw/zinc/33/87/43/559338743.db2.gz UADZCVXPQRJEBK-MJGOQNOKSA-N 1 3 362.518 2.472 20 0 FEADHO C[C@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000416970934 559341085 /nfs/dbraw/zinc/34/10/85/559341085.db2.gz FWAFRLRSPNBHBR-FXAWDEMLSA-N 1 3 358.530 2.462 20 0 FEADHO CC[C@H](CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)N1CCc2ccccc2C1 ZINC000417002129 559343182 /nfs/dbraw/zinc/34/31/82/559343182.db2.gz AFMKSTTZBPPHJC-HSALFYBXSA-N 1 3 356.514 2.074 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000417008358 559343544 /nfs/dbraw/zinc/34/35/44/559343544.db2.gz IMRNXZJHVLGJFW-TZIWHRDSSA-N 1 3 356.514 2.218 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000417218418 559353636 /nfs/dbraw/zinc/35/36/36/559353636.db2.gz GQZIQLGNDKOQPY-MJGOQNOKSA-N 1 3 374.529 2.361 20 0 FEADHO Cc1ccc([C@H](CNC(=O)N2CCC(OCCC[NH3+])CC2)N(C)C)cc1 ZINC000417311961 559356980 /nfs/dbraw/zinc/35/69/80/559356980.db2.gz MTGAAUIPVBYUMJ-IBGZPJMESA-N 1 3 362.518 2.137 20 0 FEADHO COc1ccc(C[NH+]2CCC(CNC(=O)N3CCN[C@H](C)[C@@H]3C)CC2)cc1 ZINC000417330790 559357951 /nfs/dbraw/zinc/35/79/51/559357951.db2.gz LJUQUVXCSORBDA-SJORKVTESA-N 1 3 374.529 2.299 20 0 FEADHO COc1ccc(C[NH+]2CCC(CNC(=O)N3C[C@H](C)NC[C@@H]3C)CC2)cc1 ZINC000417335892 559358253 /nfs/dbraw/zinc/35/82/53/559358253.db2.gz UJPLWNAULLHEJR-IRXDYDNUSA-N 1 3 374.529 2.299 20 0 FEADHO CC1(C)CN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCN1 ZINC000417369799 559359700 /nfs/dbraw/zinc/35/97/00/559359700.db2.gz ROYGCAYLJWYCCL-HNNXBMFYSA-N 1 3 350.532 2.354 20 0 FEADHO CC1(C)CN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCN1 ZINC000417369799 559359701 /nfs/dbraw/zinc/35/97/01/559359701.db2.gz ROYGCAYLJWYCCL-HNNXBMFYSA-N 1 3 350.532 2.354 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417374962 559359790 /nfs/dbraw/zinc/35/97/90/559359790.db2.gz ZTJGVAYTTSMEGE-PKOBYXMFSA-N 1 3 374.529 2.158 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000417514663 559365521 /nfs/dbraw/zinc/36/55/21/559365521.db2.gz JXIRCIZUOFVVFM-AZUAARDMSA-N 1 3 362.518 2.076 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000417515730 559365592 /nfs/dbraw/zinc/36/55/92/559365592.db2.gz LWAUMEVTFCREKP-RBUKOAKNSA-N 1 3 362.518 2.219 20 0 FEADHO [NH3+]CC[C@@H]1CCCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417587256 559368042 /nfs/dbraw/zinc/36/80/42/559368042.db2.gz CYRLRWODCWFOPB-IBGZPJMESA-N 1 3 374.529 2.432 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417604139 559369171 /nfs/dbraw/zinc/36/91/71/559369171.db2.gz AWQOQQBWLIYBHI-IRXDYDNUSA-N 1 3 366.575 2.132 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)NCC1(N2CCSCC2)CCCCC1)C(F)F ZINC000417631216 559369568 /nfs/dbraw/zinc/36/95/68/559369568.db2.gz VRGUTBCYXDRVLW-CYBMUJFWSA-N 1 3 364.506 2.020 20 0 FEADHO C[NH2+][C@@H]1CCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000417688400 559372431 /nfs/dbraw/zinc/37/24/31/559372431.db2.gz RVVULJHVYNYYGX-RTBURBONSA-N 1 3 358.530 2.463 20 0 FEADHO CO[C@@H]1CCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000417689522 559372666 /nfs/dbraw/zinc/37/26/66/559372666.db2.gz KDFQUGFYHRPECW-FFZOFVMBSA-N 1 3 374.529 2.360 20 0 FEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000417696896 559372926 /nfs/dbraw/zinc/37/29/26/559372926.db2.gz VXHVSKMYEPQXFA-CJNGLKHVSA-N 1 3 354.445 2.494 20 0 FEADHO CN1CCC[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)[C@H]1c1cccs1 ZINC000417734769 559374590 /nfs/dbraw/zinc/37/45/90/559374590.db2.gz KIKUBIRMGOCYNW-DYEKYZERSA-N 1 3 360.474 2.413 20 0 FEADHO CN(C)C1(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)Cc2ccccc2C1 ZINC000417737312 559374695 /nfs/dbraw/zinc/37/46/95/559374695.db2.gz NNXMOJTWGSCTNI-QAQDUYKDSA-N 1 3 358.530 2.150 20 0 FEADHO CN(C)[C@@]1(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCSC1 ZINC000417828241 559378085 /nfs/dbraw/zinc/37/80/85/559378085.db2.gz OQTYYYYIMXWDDI-FUHWJXTLSA-N 1 3 350.532 2.203 20 0 FEADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000417826834 559378092 /nfs/dbraw/zinc/37/80/92/559378092.db2.gz OVEGFTCLVDGDQI-PXNSSMCTSA-N 1 3 374.529 2.189 20 0 FEADHO CC(C)([NH3+])CNC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000417839516 559378878 /nfs/dbraw/zinc/37/88/78/559378878.db2.gz YXIVVNNOZFFPNI-UHFFFAOYSA-N 1 3 362.518 2.094 20 0 FEADHO CN1CC[C@H](NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)[C@@H]1c1ccccc1 ZINC000417938315 559382676 /nfs/dbraw/zinc/38/26/76/559382676.db2.gz JKANWUMZLMERBZ-UFYCRDLUSA-N 1 3 356.514 2.463 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418008650 559386328 /nfs/dbraw/zinc/38/63/28/559386328.db2.gz HHFVARQMIUYHIA-SLYNCCJLSA-N 1 3 356.514 2.292 20 0 FEADHO C[C@]1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CCCN1Cc1ccccc1 ZINC000418042144 559387636 /nfs/dbraw/zinc/38/76/36/559387636.db2.gz LGZKDIVWLHOCFD-IRFCIJBXSA-N 1 3 356.514 2.292 20 0 FEADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418070699 559388875 /nfs/dbraw/zinc/38/88/75/559388875.db2.gz HHJISWLKWHHRSQ-GOSISDBHSA-N 1 3 362.518 2.094 20 0 FEADHO C[NH2+][C@@H]1CCCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000418100479 559389960 /nfs/dbraw/zinc/38/99/60/559389960.db2.gz DLAMHCZKURXSHQ-WLYUNCDWSA-N 1 3 362.440 2.185 20 0 FEADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418159278 559392281 /nfs/dbraw/zinc/39/22/81/559392281.db2.gz DDAXLEMVJQLPIP-NVXWUHKLSA-N 1 3 360.502 2.038 20 0 FEADHO CCC([NH3+])(CC)CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418174793 559393040 /nfs/dbraw/zinc/39/30/40/559393040.db2.gz VAMPNJJBWOQYEA-UHFFFAOYSA-N 1 3 362.518 2.476 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[C@@](C)(C[NH3+])C2)N(C)C)cc1 ZINC000418201509 559393845 /nfs/dbraw/zinc/39/38/45/559393845.db2.gz HTMSWPBDKJWYLU-QUCCMNQESA-N 1 3 362.518 2.457 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)NCC2=CC[NH2+]CC2)N(C)C)cc1 ZINC000418207050 559393985 /nfs/dbraw/zinc/39/39/85/559393985.db2.gz OYXUFBXEYYARGB-IBGZPJMESA-N 1 3 360.502 2.295 20 0 FEADHO CCc1ccc([C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)N(CC)CC)cc1 ZINC000418222616 559394476 /nfs/dbraw/zinc/39/44/76/559394476.db2.gz XLSYFHAVFBIROS-HSALFYBXSA-N 1 3 358.530 2.493 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)N(C)C)cc1 ZINC000418228363 559394609 /nfs/dbraw/zinc/39/46/09/559394609.db2.gz DZEAHAZKUBGBDK-COXVUDFISA-N 1 3 350.532 2.308 20 0 FEADHO C[NH2+]CCCNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000418275236 559396099 /nfs/dbraw/zinc/39/60/99/559396099.db2.gz CHKGLIZVBRCDSV-UHFFFAOYSA-N 1 3 360.424 2.388 20 0 FEADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000418330454 559397794 /nfs/dbraw/zinc/39/77/94/559397794.db2.gz BYJUITKNXZHBJL-CABCVRRESA-N 1 3 368.472 2.426 20 0 FEADHO O=C(NCCCNCc1cccnc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000418334160 559397796 /nfs/dbraw/zinc/39/77/96/559397796.db2.gz WKXFYAMEWVUGEC-RTBURBONSA-N 1 3 359.518 2.125 20 0 FEADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC(OCCC[NH3+])CC2)cc1 ZINC000418343325 559398391 /nfs/dbraw/zinc/39/83/91/559398391.db2.gz FMVQALBCEPGLGI-LJQANCHMSA-N 1 3 362.518 2.349 20 0 FEADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418424814 559401003 /nfs/dbraw/zinc/40/10/03/559401003.db2.gz KSFVGKBIPJQEKT-HKUYNNGSSA-N 1 3 359.518 2.457 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000418522745 559404787 /nfs/dbraw/zinc/40/47/87/559404787.db2.gz TYTUKBIIIFZOAM-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418555560 559405937 /nfs/dbraw/zinc/40/59/37/559405937.db2.gz WIIBSNIMTVDDQV-IBGZPJMESA-N 1 3 368.472 2.428 20 0 FEADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418567208 559406521 /nfs/dbraw/zinc/40/65/21/559406521.db2.gz GHRDSFLAPNXLDP-SUMWQHHRSA-N 1 3 354.445 2.036 20 0 FEADHO COC[C@]1(CNC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CCC[NH2+]1 ZINC000418630030 559408540 /nfs/dbraw/zinc/40/85/40/559408540.db2.gz DSFMSIOFQOLROA-HXUWFJFHSA-N 1 3 368.566 2.297 20 0 FEADHO [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418640203 559409033 /nfs/dbraw/zinc/40/90/33/559409033.db2.gz QIRVEARYDSETTP-HXUWFJFHSA-N 1 3 352.482 2.086 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418708172 559411992 /nfs/dbraw/zinc/41/19/92/559411992.db2.gz CCMVKYMRBADRAT-WMZOPIPTSA-N 1 3 350.482 2.416 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000418804177 559416852 /nfs/dbraw/zinc/41/68/52/559416852.db2.gz WTJAWHMYKFXLJN-GBESFXJTSA-N 1 3 374.529 2.157 20 0 FEADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000419651170 559451803 /nfs/dbraw/zinc/45/18/03/559451803.db2.gz OJPXAQWYAMUQCE-MRXNPFEDSA-N 1 3 374.529 2.010 20 0 FEADHO C[C@@H](c1nc(-c2cccs2)no1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420315744 559479753 /nfs/dbraw/zinc/47/97/53/559479753.db2.gz LGASQBLMDMWKTN-GJZGRUSLSA-N 1 3 361.515 2.476 20 0 FEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000420312476 559479766 /nfs/dbraw/zinc/47/97/66/559479766.db2.gz HTEJHTVVQKYBKC-DLBZAZTESA-N 1 3 355.486 2.155 20 0 FEADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000420312476 559479767 /nfs/dbraw/zinc/47/97/67/559479767.db2.gz HTEJHTVVQKYBKC-DLBZAZTESA-N 1 3 355.486 2.155 20 0 FEADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000420312476 559479768 /nfs/dbraw/zinc/47/97/68/559479768.db2.gz HTEJHTVVQKYBKC-DLBZAZTESA-N 1 3 355.486 2.155 20 0 FEADHO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420313276 559479867 /nfs/dbraw/zinc/47/98/67/559479867.db2.gz XVXNLHXAOKUVME-FKBYEOEOSA-N 1 3 356.510 2.436 20 0 FEADHO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420313276 559479868 /nfs/dbraw/zinc/47/98/68/559479868.db2.gz XVXNLHXAOKUVME-FKBYEOEOSA-N 1 3 356.510 2.436 20 0 FEADHO CC(C)[C@H](CO)N(Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420313276 559479869 /nfs/dbraw/zinc/47/98/69/559479869.db2.gz XVXNLHXAOKUVME-FKBYEOEOSA-N 1 3 356.510 2.436 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000420325187 559480630 /nfs/dbraw/zinc/48/06/30/559480630.db2.gz BENVWIWRKMJWET-OIISXLGYSA-N 1 3 363.477 2.113 20 0 FEADHO Cc1cccc(C)c1OCCNC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330945 559480999 /nfs/dbraw/zinc/48/09/99/559480999.db2.gz QIMZDFQCLXPMBI-MOPGFXCFSA-N 1 3 359.514 2.120 20 0 FEADHO O=C1N[C@@H]2CN([C@@H]3CCCc4ccccc43)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420399585 559485518 /nfs/dbraw/zinc/48/55/18/559485518.db2.gz HXYLTHHFBQJFCU-VAMGGRTRSA-N 1 3 354.498 2.284 20 0 FEADHO C[C@H]([NH2+]C[C@H](O)[C@@H](N)Cc1ccccc1)c1cccc(-n2cccn2)c1 ZINC000420408139 559486204 /nfs/dbraw/zinc/48/62/04/559486204.db2.gz OZQGNFCGJXIVMM-NDXORKPFSA-N 1 3 350.466 2.454 20 0 FEADHO CCc1ccc(CCN2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420409842 559486334 /nfs/dbraw/zinc/48/63/34/559486334.db2.gz WGKOOBJJYHSJEG-UXHICEINSA-N 1 3 356.514 2.012 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000420789167 559504498 /nfs/dbraw/zinc/50/44/98/559504498.db2.gz XRPYVFJDUJJXCU-UHFFFAOYSA-N 1 3 362.518 2.299 20 0 FEADHO CN(C[C@H]1CCCN1C)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000420791344 559504672 /nfs/dbraw/zinc/50/46/72/559504672.db2.gz OJYOTRUGRSPENS-LJQANCHMSA-N 1 3 374.529 2.397 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)NCc3ccccc3C)CC2)CC1 ZINC000421014966 559519767 /nfs/dbraw/zinc/51/97/67/559519767.db2.gz SKJDODAJHARXMO-UHFFFAOYSA-N 1 3 372.557 2.103 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)NCc3ccccc3C)CC2)CC1 ZINC000421014966 559519768 /nfs/dbraw/zinc/51/97/68/559519768.db2.gz SKJDODAJHARXMO-UHFFFAOYSA-N 1 3 372.557 2.103 20 0 FEADHO CC[NH+]1CCC(N2CCCN(C(=O)c3cccc(CN(C)C)c3)CC2)CC1 ZINC000422012921 559560589 /nfs/dbraw/zinc/56/05/89/559560589.db2.gz DVGARSNNACSPPS-UHFFFAOYSA-N 1 3 372.557 2.380 20 0 FEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422880208 559609745 /nfs/dbraw/zinc/60/97/45/559609745.db2.gz NNDRNECXCYVQSS-ZFWWWQNUSA-N 1 3 354.292 2.286 20 0 FEADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@@H]1C[NH3+] ZINC000422625412 559598489 /nfs/dbraw/zinc/59/84/89/559598489.db2.gz BKDULWRKVVURRJ-ZACQAIPSSA-N 1 3 372.513 2.447 20 0 FEADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@@H]1CN ZINC000422625412 559598490 /nfs/dbraw/zinc/59/84/90/559598490.db2.gz BKDULWRKVVURRJ-ZACQAIPSSA-N 1 3 372.513 2.447 20 0 FEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@@H]1CN ZINC000422625412 559598491 /nfs/dbraw/zinc/59/84/91/559598491.db2.gz BKDULWRKVVURRJ-ZACQAIPSSA-N 1 3 372.513 2.447 20 0 FEADHO C(N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCCC1 ZINC000422700809 559603403 /nfs/dbraw/zinc/60/34/03/559603403.db2.gz ASLLGIUGVLCFSK-CEXWTWQISA-N 1 3 367.603 2.485 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2cnn(-c3ccccc3)c2)CC[NH2+]CC1 ZINC000422817092 559607377 /nfs/dbraw/zinc/60/73/77/559607377.db2.gz CFWKEAVPDVCLDB-MRXNPFEDSA-N 1 3 356.470 2.283 20 0 FEADHO CCN1CCN(CCCN[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422855525 559608702 /nfs/dbraw/zinc/60/87/02/559608702.db2.gz FAAKKZKHEIVXNT-RTWAWAEBSA-N 1 3 360.546 2.106 20 0 FEADHO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000422889651 559610062 /nfs/dbraw/zinc/61/00/62/559610062.db2.gz QAUZKFWRNNOIOJ-ZTTFOMCMSA-N 1 3 359.514 2.026 20 0 FEADHO COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)CCOCC1 ZINC000422898873 559610344 /nfs/dbraw/zinc/61/03/44/559610344.db2.gz NCVQGBFTLNVGML-ZHALLVOQSA-N 1 3 362.514 2.394 20 0 FEADHO COc1ccc(C)cc1C1(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CCOCC1 ZINC000422898873 559610345 /nfs/dbraw/zinc/61/03/45/559610345.db2.gz NCVQGBFTLNVGML-ZHALLVOQSA-N 1 3 362.514 2.394 20 0 FEADHO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000422910057 559610969 /nfs/dbraw/zinc/61/09/69/559610969.db2.gz POXRLKSXLFPXEG-HLKUOHOZSA-N 1 3 357.498 2.065 20 0 FEADHO CC[C@@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422913868 559611131 /nfs/dbraw/zinc/61/11/31/559611131.db2.gz RACWRVRBLBRHGX-UXHICEINSA-N 1 3 358.530 2.132 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000422919512 559611381 /nfs/dbraw/zinc/61/13/81/559611381.db2.gz JVOYWKLQBUWWHY-KBPBESRZSA-N 1 3 359.392 2.154 20 0 FEADHO O=C(CCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422959701 559613025 /nfs/dbraw/zinc/61/30/25/559613025.db2.gz TZHJMLDVSZVYMA-GUDVDZBRSA-N 1 3 357.498 2.103 20 0 FEADHO C[C@H](N)C[C@H](C)[NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000423010011 559614942 /nfs/dbraw/zinc/61/49/42/559614942.db2.gz FMWYISCSHPRVRT-KBPBESRZSA-N 1 3 357.495 2.084 20 0 FEADHO C[C@H]([NH3+])C[C@H](C)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000423010011 559614943 /nfs/dbraw/zinc/61/49/43/559614943.db2.gz FMWYISCSHPRVRT-KBPBESRZSA-N 1 3 357.495 2.084 20 0 FEADHO COC[C@H](CCC[NH3+])NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000423080459 559617930 /nfs/dbraw/zinc/61/79/30/559617930.db2.gz BQAQECUGYGQZGW-HNNXBMFYSA-N 1 3 367.291 2.478 20 0 FEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000423027456 559615564 /nfs/dbraw/zinc/61/55/64/559615564.db2.gz PADPVWCVSIPTDI-TYPHKJRUSA-N 1 3 374.573 2.176 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423085052 559618120 /nfs/dbraw/zinc/61/81/20/559618120.db2.gz JDHRCWYCCHNQDT-JSQNDZKTSA-N 1 3 368.319 2.370 20 0 FEADHO COc1ccc([C@@H](NCCN2CCN(C)C(C)(C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423099197 559618970 /nfs/dbraw/zinc/61/89/70/559618970.db2.gz LRYKVNRWVLZLNL-VQTJNVASSA-N 1 3 360.546 2.104 20 0 FEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN1C(=O)c2ccccc2C1=O ZINC000423116166 559619867 /nfs/dbraw/zinc/61/98/67/559619867.db2.gz ZSEVKSBXKURNLA-DNVCBOLYSA-N 1 3 351.450 2.221 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000423138097 559620540 /nfs/dbraw/zinc/62/05/40/559620540.db2.gz SBAAXNLREISLAW-WBAXXEDZSA-N 1 3 351.466 2.221 20 0 FEADHO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCC[C@H]2CN)cc1Br ZINC000423168502 559621640 /nfs/dbraw/zinc/62/16/40/559621640.db2.gz YDGCMTLIRLCJPE-DZKIICNBSA-N 1 3 371.319 2.326 20 0 FEADHO COc1ccc(C[C@H](CO)CN[C@H]2CCC[C@H]2C[NH3+])cc1Br ZINC000423168502 559621641 /nfs/dbraw/zinc/62/16/41/559621641.db2.gz YDGCMTLIRLCJPE-DZKIICNBSA-N 1 3 371.319 2.326 20 0 FEADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(-n2ccnc2)cc1 ZINC000423389022 559627481 /nfs/dbraw/zinc/62/74/81/559627481.db2.gz NFUSUMKBZTWSDN-WMLDXEAASA-N 1 3 367.419 2.359 20 0 FEADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000423437187 559629101 /nfs/dbraw/zinc/62/91/01/559629101.db2.gz TZDSLIZXKYQMNS-MTNOOBJLSA-N 1 3 351.535 2.112 20 0 FEADHO C[C@@H](CCC[NH3+])N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423454543 559629601 /nfs/dbraw/zinc/62/96/01/559629601.db2.gz LPDQTSCLUKBIOG-GWCFXTLKSA-N 1 3 361.305 2.385 20 0 FEADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000423936834 559646899 /nfs/dbraw/zinc/64/68/99/559646899.db2.gz FGBBUAPNQRFNSG-LJQANCHMSA-N 1 3 359.514 2.400 20 0 FEADHO N[C@@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@H]1c1ccccc1F ZINC000424023736 559651746 /nfs/dbraw/zinc/65/17/46/559651746.db2.gz GHCFFLYHUSNOOO-AZUAARDMSA-N 1 3 353.441 2.081 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000424444630 559665271 /nfs/dbraw/zinc/66/52/71/559665271.db2.gz DBBXWXIIKIZRQB-RDJZCZTQSA-N 1 3 372.513 2.161 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000424444630 559665272 /nfs/dbraw/zinc/66/52/72/559665272.db2.gz DBBXWXIIKIZRQB-RDJZCZTQSA-N 1 3 372.513 2.161 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(CCN(C)C)Cc2cccs2)c1 ZINC000424459774 559666101 /nfs/dbraw/zinc/66/61/01/559666101.db2.gz XMCCXPINPJLKTN-UHFFFAOYSA-N 1 3 374.510 2.044 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424468703 559666460 /nfs/dbraw/zinc/66/64/60/559666460.db2.gz PLNFNEIJFKILRH-PKOBYXMFSA-N 1 3 374.529 2.409 20 0 FEADHO CO[C@@H](C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)C1CC1 ZINC000425428166 559701787 /nfs/dbraw/zinc/70/17/87/559701787.db2.gz WFUTXIQNORPPGC-NRFANRHFSA-N 1 3 373.541 2.372 20 0 FEADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425477413 559704343 /nfs/dbraw/zinc/70/43/43/559704343.db2.gz NXEUTFCZYZPUIF-NLWGTHIKSA-N 1 3 354.498 2.139 20 0 FEADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425477413 559704344 /nfs/dbraw/zinc/70/43/44/559704344.db2.gz NXEUTFCZYZPUIF-NLWGTHIKSA-N 1 3 354.498 2.139 20 0 FEADHO C[C@@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000429012418 559788286 /nfs/dbraw/zinc/78/82/86/559788286.db2.gz UZGFKSKLJQAKTG-MOPGFXCFSA-N 1 3 358.530 2.093 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000430556305 559822426 /nfs/dbraw/zinc/82/24/26/559822426.db2.gz YPKKSVJMIUOQLR-CTNGQTDRSA-N 1 3 372.557 2.089 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCC(F)(F)C3)CC2)CC1 ZINC000430581548 559823530 /nfs/dbraw/zinc/82/35/30/559823530.db2.gz UJFDHZUHVPTPTK-AWEZNQCLSA-N 1 3 358.477 2.280 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)[C@H](CN)c3ccccc3)CCCC2)CC1 ZINC000430704901 559826691 /nfs/dbraw/zinc/82/66/91/559826691.db2.gz JNBRPWCZWRQBCF-LJQANCHMSA-N 1 3 359.514 2.269 20 0 FEADHO COCC[C@@]1(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CC[NH2+]C1 ZINC000430731615 559827406 /nfs/dbraw/zinc/82/74/06/559827406.db2.gz XEBVOECRFLPBOC-UTKZUKDTSA-N 1 3 359.514 2.344 20 0 FEADHO C[C@@H](CC(=O)NCCc1ccc(OCCN(C)C)cc1)C1CC[NH2+]CC1 ZINC000430910094 559830144 /nfs/dbraw/zinc/83/01/44/559830144.db2.gz RICFEFVMJVDNOR-KRWDZBQOSA-N 1 3 361.530 2.312 20 0 FEADHO CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000430915332 559830270 /nfs/dbraw/zinc/83/02/70/559830270.db2.gz CFPBMEHZIWBITJ-OAHLLOKOSA-N 1 3 363.502 2.112 20 0 FEADHO CCCN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C1CC[NH2+]CC1 ZINC000431081247 559833577 /nfs/dbraw/zinc/83/35/77/559833577.db2.gz DMSZIICUJGIIHO-UHFFFAOYSA-N 1 3 366.893 2.232 20 0 FEADHO CC[C@@H]1CN(Cc2cc(C[N@@H+]3C[C@H](O)[C@H](CC)C3)cc(OC)c2)C[C@@H]1O ZINC000432779173 559864485 /nfs/dbraw/zinc/86/44/85/559864485.db2.gz JNWJUVNJMZKPDA-QCFAMHMHSA-N 1 3 362.514 2.101 20 0 FEADHO CC[C@@H]1CN(Cc2cc(C[N@H+]3C[C@H](O)[C@H](CC)C3)cc(OC)c2)C[C@@H]1O ZINC000432779173 559864486 /nfs/dbraw/zinc/86/44/86/559864486.db2.gz JNWJUVNJMZKPDA-QCFAMHMHSA-N 1 3 362.514 2.101 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NCC2([NH+](C)C)CCCCCC2)CCCO1 ZINC000433272837 559875382 /nfs/dbraw/zinc/87/53/82/559875382.db2.gz JIAHHBZOFUPMCE-GOSISDBHSA-N 1 3 368.566 2.441 20 0 FEADHO CC(C)[NH+](CCCNC(=O)NCCCN1CCCO[C@@H](C)C1)C(C)C ZINC000433407773 559880317 /nfs/dbraw/zinc/88/03/17/559880317.db2.gz YZBDCZPECWIHDE-SFHVURJKSA-N 1 3 356.555 2.295 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CN1C1CC1 ZINC000441078802 560023101 /nfs/dbraw/zinc/02/31/01/560023101.db2.gz XIQDFQQYCAJNGZ-MAUKXSAKSA-N 1 3 356.514 2.010 20 0 FEADHO CC(=O)NCCc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000442874836 560060582 /nfs/dbraw/zinc/06/05/82/560060582.db2.gz MRRSMIZSAOHEPA-QGZVFWFLSA-N 1 3 360.546 2.042 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C[C@@H]1C ZINC000443367433 560082151 /nfs/dbraw/zinc/08/21/51/560082151.db2.gz WAONJCRUHIIMGY-FUHWJXTLSA-N 1 3 374.529 2.326 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C[C@@H]1C ZINC000443367433 560082152 /nfs/dbraw/zinc/08/21/52/560082152.db2.gz WAONJCRUHIIMGY-FUHWJXTLSA-N 1 3 374.529 2.326 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCSc1ccccn1 ZINC000446132404 560140357 /nfs/dbraw/zinc/14/03/57/560140357.db2.gz VOOMHTKYWHHOEO-KRWDZBQOSA-N 1 3 364.559 2.438 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCSc1ccccn1 ZINC000446132404 560140358 /nfs/dbraw/zinc/14/03/58/560140358.db2.gz VOOMHTKYWHHOEO-KRWDZBQOSA-N 1 3 364.559 2.438 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000446287669 560143766 /nfs/dbraw/zinc/14/37/66/560143766.db2.gz JEYAEKMMMIXPSC-PSHVLCQKSA-N 1 3 371.525 2.472 20 0 FEADHO Cc1cc(CNCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)ccn1 ZINC000527718685 562301321 /nfs/dbraw/zinc/30/13/21/562301321.db2.gz DZIIEHPGALLEDD-UHFFFAOYSA-N 1 3 352.482 2.377 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000448467957 560187674 /nfs/dbraw/zinc/18/76/74/560187674.db2.gz SUNRZWVMLMZGPJ-GOSISDBHSA-N 1 3 368.566 2.107 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000448467957 560187675 /nfs/dbraw/zinc/18/76/75/560187675.db2.gz SUNRZWVMLMZGPJ-GOSISDBHSA-N 1 3 368.566 2.107 20 0 FEADHO COCC[N@H+](C)CCCNCc1ccc(I)cc1 ZINC000449080409 560215155 /nfs/dbraw/zinc/21/51/55/560215155.db2.gz VYNAPIBCPPPXMS-UHFFFAOYSA-N 1 3 362.255 2.349 20 0 FEADHO COCC[N@@H+](C)CCCNCc1ccc(I)cc1 ZINC000449080409 560215156 /nfs/dbraw/zinc/21/51/56/560215156.db2.gz VYNAPIBCPPPXMS-UHFFFAOYSA-N 1 3 362.255 2.349 20 0 FEADHO Cc1cccc(CC[NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)c1 ZINC000449209023 560220218 /nfs/dbraw/zinc/22/02/18/560220218.db2.gz FLQFKNMWLZOVPO-NRFANRHFSA-N 1 3 353.510 2.416 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449320720 560225027 /nfs/dbraw/zinc/22/50/27/560225027.db2.gz OYSBBTIPFKZTMN-HSZRJFAPSA-N 1 3 363.505 2.482 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000451219451 560293789 /nfs/dbraw/zinc/29/37/89/560293789.db2.gz UCXFDEUBIFQWLZ-GOSISDBHSA-N 1 3 352.567 2.016 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000451219451 560293790 /nfs/dbraw/zinc/29/37/90/560293790.db2.gz UCXFDEUBIFQWLZ-GOSISDBHSA-N 1 3 352.567 2.016 20 0 FEADHO COC1([C@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)CCOCC1 ZINC000453115293 560383388 /nfs/dbraw/zinc/38/33/88/560383388.db2.gz HMAPEFXTSHIXDJ-SFHVURJKSA-N 1 3 353.551 2.110 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1 ZINC000454113600 560430368 /nfs/dbraw/zinc/43/03/68/560430368.db2.gz WBCXVKRBMFKQQJ-LJQANCHMSA-N 1 3 374.529 2.408 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCCC3(F)F)CC2)CC1 ZINC000454454676 560445180 /nfs/dbraw/zinc/44/51/80/560445180.db2.gz MAJXDHVBBPWRJE-AWEZNQCLSA-N 1 3 358.477 2.280 20 0 FEADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455673569 560491374 /nfs/dbraw/zinc/49/13/74/560491374.db2.gz YCGLVIGCYNNJKY-HOTGVXAUSA-N 1 3 364.538 2.323 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455944601 560501382 /nfs/dbraw/zinc/50/13/82/560501382.db2.gz VPLCKLVAGNFIPX-PKOBYXMFSA-N 1 3 360.502 2.468 20 0 FEADHO COC(=O)c1cc(C)cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000457510391 560571693 /nfs/dbraw/zinc/57/16/93/560571693.db2.gz LJXCJODHNCHEJF-UHFFFAOYSA-N 1 3 373.497 2.070 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000457785473 560587499 /nfs/dbraw/zinc/58/74/99/560587499.db2.gz LIPHGZXIKUIJQC-DLBZAZTESA-N 1 3 350.532 2.448 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000457785473 560587501 /nfs/dbraw/zinc/58/75/01/560587501.db2.gz LIPHGZXIKUIJQC-DLBZAZTESA-N 1 3 350.532 2.448 20 0 FEADHO COCC[N@H+](C)CC[C@@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)c1ccccc1 ZINC000458290502 560613424 /nfs/dbraw/zinc/61/34/24/560613424.db2.gz NBBSXPWHTMPGIZ-XUVXKRRUSA-N 1 3 374.529 2.042 20 0 FEADHO COCC[N@@H+](C)CC[C@@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)c1ccccc1 ZINC000458290502 560613425 /nfs/dbraw/zinc/61/34/25/560613425.db2.gz NBBSXPWHTMPGIZ-XUVXKRRUSA-N 1 3 374.529 2.042 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC[C@H]2CCC[N@H+](C)C2)o1 ZINC000459272466 560676889 /nfs/dbraw/zinc/67/68/89/560676889.db2.gz XJGJHLAUMXZJAH-QGZVFWFLSA-N 1 3 350.507 2.393 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000459272466 560676891 /nfs/dbraw/zinc/67/68/91/560676891.db2.gz XJGJHLAUMXZJAH-QGZVFWFLSA-N 1 3 350.507 2.393 20 0 FEADHO CCO[C@@H]1C[C@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]1SC ZINC000459441500 560686600 /nfs/dbraw/zinc/68/66/00/560686600.db2.gz WEQUSBBIZLWRNF-MANSERQUSA-N 1 3 350.528 2.122 20 0 FEADHO CCO[C@@H]1C[C@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H]1SC ZINC000459441500 560686601 /nfs/dbraw/zinc/68/66/01/560686601.db2.gz WEQUSBBIZLWRNF-MANSERQUSA-N 1 3 350.528 2.122 20 0 FEADHO CCN1C[C@@H](C)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000459477881 560688641 /nfs/dbraw/zinc/68/86/41/560688641.db2.gz MNPLFMNRSAGNIE-RTBURBONSA-N 1 3 372.557 2.313 20 0 FEADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C(=O)NCCc1ccccc1 ZINC000459581142 560695699 /nfs/dbraw/zinc/69/56/99/560695699.db2.gz CPCCTJCAWICWLR-QGZVFWFLSA-N 1 3 352.482 2.387 20 0 FEADHO C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000461089436 560761114 /nfs/dbraw/zinc/76/11/14/560761114.db2.gz QQLQNVPVGRTGOV-OXQOHEQNSA-N 1 3 350.503 2.455 20 0 FEADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000461379324 560769003 /nfs/dbraw/zinc/76/90/03/560769003.db2.gz LNNOBFACLDGVMO-AEFFLSMTSA-N 1 3 353.551 2.048 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000462120647 560798105 /nfs/dbraw/zinc/79/81/05/560798105.db2.gz VKQDQYRCXOSTMY-MAUKXSAKSA-N 1 3 350.507 2.326 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000462120647 560798107 /nfs/dbraw/zinc/79/81/07/560798107.db2.gz VKQDQYRCXOSTMY-MAUKXSAKSA-N 1 3 350.507 2.326 20 0 FEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000465877265 560874757 /nfs/dbraw/zinc/87/47/57/560874757.db2.gz QPYFSHZMAUJHAW-OALUTQOASA-N 1 3 368.566 2.393 20 0 FEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000465877265 560874759 /nfs/dbraw/zinc/87/47/59/560874759.db2.gz QPYFSHZMAUJHAW-OALUTQOASA-N 1 3 368.566 2.393 20 0 FEADHO COc1c(C)cc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1C ZINC000469867929 560967294 /nfs/dbraw/zinc/96/72/94/560967294.db2.gz ZAONSVOPANCSSZ-MJGOQNOKSA-N 1 3 359.514 2.392 20 0 FEADHO C[C@H](C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)N1CCCCCC1 ZINC000469923898 560969067 /nfs/dbraw/zinc/96/90/67/560969067.db2.gz NZYOSTFZGCFTQQ-MOPGFXCFSA-N 1 3 351.535 2.354 20 0 FEADHO C[C@@H](C[NH2+]CCCCN1CCN(CCO)CC1)c1cccc(Cl)c1 ZINC000470364150 560979448 /nfs/dbraw/zinc/97/94/48/560979448.db2.gz RPUCNGVYRRDKKC-KRWDZBQOSA-N 1 3 353.938 2.423 20 0 FEADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000470542984 560984272 /nfs/dbraw/zinc/98/42/72/560984272.db2.gz SFJWXSOFVIWPGU-ROUUACIJSA-N 1 3 374.529 2.124 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)C1 ZINC000472969928 561039009 /nfs/dbraw/zinc/03/90/09/561039009.db2.gz SMENDRWVWJAUSS-IPMKNSEASA-N 1 3 368.566 2.249 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000473039591 561040882 /nfs/dbraw/zinc/04/08/82/561040882.db2.gz WUNYRTWXTSSWMF-CEXWTWQISA-N 1 3 368.566 2.249 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H](C)C2)CC1 ZINC000475362850 561095783 /nfs/dbraw/zinc/09/57/83/561095783.db2.gz PCHTXSAIFVKZOI-PKOBYXMFSA-N 1 3 359.514 2.460 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(=O)OC)[C@@H](C)C2)CC1 ZINC000475362850 561095784 /nfs/dbraw/zinc/09/57/84/561095784.db2.gz PCHTXSAIFVKZOI-PKOBYXMFSA-N 1 3 359.514 2.460 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000475907122 561107693 /nfs/dbraw/zinc/10/76/93/561107693.db2.gz RKUBFEWIHISLSP-UHFFFAOYSA-N 1 3 368.566 2.440 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000475907122 561107694 /nfs/dbraw/zinc/10/76/94/561107694.db2.gz RKUBFEWIHISLSP-UHFFFAOYSA-N 1 3 368.566 2.440 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000475983300 561108829 /nfs/dbraw/zinc/10/88/29/561108829.db2.gz LZCKJWPUWWDUDL-ZWKOTPCHSA-N 1 3 368.566 2.438 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000475983300 561108830 /nfs/dbraw/zinc/10/88/30/561108830.db2.gz LZCKJWPUWWDUDL-ZWKOTPCHSA-N 1 3 368.566 2.438 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000475983298 561108843 /nfs/dbraw/zinc/10/88/43/561108843.db2.gz LZCKJWPUWWDUDL-QZTJIDSGSA-N 1 3 368.566 2.438 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000475983298 561108844 /nfs/dbraw/zinc/10/88/44/561108844.db2.gz LZCKJWPUWWDUDL-QZTJIDSGSA-N 1 3 368.566 2.438 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000475983297 561108867 /nfs/dbraw/zinc/10/88/67/561108867.db2.gz LZCKJWPUWWDUDL-MSOLQXFVSA-N 1 3 368.566 2.438 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000475983297 561108868 /nfs/dbraw/zinc/10/88/68/561108868.db2.gz LZCKJWPUWWDUDL-MSOLQXFVSA-N 1 3 368.566 2.438 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cc(F)ccc1OC ZINC000476358847 561117519 /nfs/dbraw/zinc/11/75/19/561117519.db2.gz VQIVIVMTVDMOPB-SFHVURJKSA-N 1 3 365.493 2.251 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cc(F)ccc1OC ZINC000476358847 561117520 /nfs/dbraw/zinc/11/75/20/561117520.db2.gz VQIVIVMTVDMOPB-SFHVURJKSA-N 1 3 365.493 2.251 20 0 FEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC000529312176 562368674 /nfs/dbraw/zinc/36/86/74/562368674.db2.gz ZDMJDABNGUHQNX-INIZCTEOSA-N 1 3 360.502 2.019 20 0 FEADHO Cc1nn(-c2ccncc2)cc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248351 562404241 /nfs/dbraw/zinc/40/42/41/562404241.db2.gz JTECOMHCDZDXGD-FQEVSTJZSA-N 1 3 355.486 2.166 20 0 FEADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cccc(C(N)=O)c1 ZINC000530713927 562421584 /nfs/dbraw/zinc/42/15/84/562421584.db2.gz MHFVGHHUTCXFJO-UHFFFAOYSA-N 1 3 372.557 2.414 20 0 FEADHO C[C@@H](CNC(=O)CC1(N2CCOCC2)CCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000530812929 562424904 /nfs/dbraw/zinc/42/49/04/562424904.db2.gz KXTCPWBBAPCOTQ-ROUUACIJSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H](CNC(=O)CC1(N2CCOCC2)CCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000530812929 562424905 /nfs/dbraw/zinc/42/49/05/562424905.db2.gz KXTCPWBBAPCOTQ-ROUUACIJSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531043536 562432718 /nfs/dbraw/zinc/43/27/18/562432718.db2.gz OCCBJNVRJIEOMW-NQIIRXRSSA-N 1 3 359.514 2.004 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531043536 562432719 /nfs/dbraw/zinc/43/27/19/562432719.db2.gz OCCBJNVRJIEOMW-NQIIRXRSSA-N 1 3 359.514 2.004 20 0 FEADHO CSc1ccc(O[C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000531358008 562443187 /nfs/dbraw/zinc/44/31/87/562443187.db2.gz UTZOXKXVTLSMPJ-OAHLLOKOSA-N 1 3 353.532 2.128 20 0 FEADHO O=C(NCCNc1cc[nH+]cc1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000533813571 562518835 /nfs/dbraw/zinc/51/88/35/562518835.db2.gz QYAQBYDHNVXMGM-QGZVFWFLSA-N 1 3 356.445 2.083 20 0 FEADHO O=C(NCCNc1cc[nH+]cc1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000533812181 562518905 /nfs/dbraw/zinc/51/89/05/562518905.db2.gz QDRGEMZVJHIKDF-LJQANCHMSA-N 1 3 353.470 2.052 20 0 FEADHO c1cc(N2CCN(CCC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)ccn1 ZINC000534064447 562524616 /nfs/dbraw/zinc/52/46/16/562524616.db2.gz LMOQBZVREBRUFT-ZCNNSNEGSA-N 1 3 356.514 2.141 20 0 FEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000540891265 562595775 /nfs/dbraw/zinc/59/57/75/562595775.db2.gz PMHFOXXESWDCFI-PXNSSMCTSA-N 1 3 358.530 2.482 20 0 FEADHO CCC(CC)[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000540922371 562596991 /nfs/dbraw/zinc/59/69/91/562596991.db2.gz WSZWIXFIYIDVJA-ROUUACIJSA-N 1 3 356.555 2.105 20 0 FEADHO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC2(C1)CC[NH+](C)CC2 ZINC000602877467 568010582 /nfs/dbraw/zinc/01/05/82/568010582.db2.gz OXZXHZJMOKIDSJ-AWEZNQCLSA-N 1 3 362.449 2.280 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000604191098 568223555 /nfs/dbraw/zinc/22/35/55/568223555.db2.gz FUHGECIENDGVNZ-RBUKOAKNSA-N 1 3 356.514 2.087 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000604191098 568223556 /nfs/dbraw/zinc/22/35/56/568223556.db2.gz FUHGECIENDGVNZ-RBUKOAKNSA-N 1 3 356.514 2.087 20 0 FEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637104821 568391064 /nfs/dbraw/zinc/39/10/64/568391064.db2.gz WIOJFKFYUZNEGF-KRWDZBQOSA-N 1 3 362.522 2.392 20 0 FEADHO CN1CCC(n2cc(NC(=O)NC3CC([NH+]4CCCCC4)C3)cn2)CC1 ZINC000637110985 568393104 /nfs/dbraw/zinc/39/31/04/568393104.db2.gz GKVZQZWGVIISQD-UHFFFAOYSA-N 1 3 360.506 2.288 20 0 FEADHO C[C@@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)C1CC[NH+](C)CC1 ZINC000820427579 607019671 /nfs/dbraw/zinc/01/96/71/607019671.db2.gz TYJPBPCKBUOATO-CQSZACIVSA-N 1 3 360.531 2.420 20 0 FEADHO C[C@@H]([NH2+]CCSCc1ccccc1-c1nn[n-]n1)C1CC[NH+](C)CC1 ZINC000820427579 607019672 /nfs/dbraw/zinc/01/96/72/607019672.db2.gz TYJPBPCKBUOATO-CQSZACIVSA-N 1 3 360.531 2.420 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NCC2CC[NH2+]CC2)N(C)C)cc1 ZINC000561219276 674648057 /nfs/dbraw/zinc/64/80/57/674648057.db2.gz SWMRCCKJWKCJKY-QGZVFWFLSA-N 1 3 350.532 2.310 20 0 FEADHO CSC[C@@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000563000304 674833374 /nfs/dbraw/zinc/83/33/74/674833374.db2.gz KBMRJYWDCDSNKR-OALUTQOASA-N 1 3 364.555 2.229 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CN3C(=O)C(C)(C)C3(C)C)CC2)CC1 ZINC000817374642 675126716 /nfs/dbraw/zinc/12/67/16/675126716.db2.gz YOCMKTQVQKZVGV-UHFFFAOYSA-N 1 3 350.551 2.083 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CN3C(=O)C(C)(C)C3(C)C)CC2)CC1 ZINC000817374642 675126719 /nfs/dbraw/zinc/12/67/19/675126719.db2.gz YOCMKTQVQKZVGV-UHFFFAOYSA-N 1 3 350.551 2.083 20 0 FEADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc2)CC1 ZINC000566105437 675181146 /nfs/dbraw/zinc/18/11/46/675181146.db2.gz JYEJEARBQHOWLI-KRWDZBQOSA-N 1 3 359.436 2.227 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(COC)CCC3)CC2)CC1 ZINC000576290765 671358459 /nfs/dbraw/zinc/35/84/59/671358459.db2.gz OWLZCIBBFUUZGP-UHFFFAOYSA-N 1 3 351.535 2.116 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(c3cccc(F)c3F)CC2)C1 ZINC000576804908 671395687 /nfs/dbraw/zinc/39/56/87/671395687.db2.gz DGLPNHSBPIZKTD-CQSZACIVSA-N 1 3 351.441 2.342 20 0 FEADHO Cc1cc(NC(=O)CCNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)no1 ZINC000578997995 671704846 /nfs/dbraw/zinc/70/48/46/671704846.db2.gz MZBZUCHCGDKMIT-KSSFIOAISA-N 1 3 362.499 3.046 20 0 FEADHO Cc1cc(NC(=O)CCNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)no1 ZINC000578997995 671704850 /nfs/dbraw/zinc/70/48/50/671704850.db2.gz MZBZUCHCGDKMIT-KSSFIOAISA-N 1 3 362.499 3.046 20 0 FEADHO CC[NH+]1CCC(CNC(=O)N(C)CCCN(C)Cc2ccco2)CC1 ZINC000579747044 671757899 /nfs/dbraw/zinc/75/78/99/671757899.db2.gz YUVGWUBJXIIATF-UHFFFAOYSA-N 1 3 350.507 2.475 20 0 FEADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000580312733 671797056 /nfs/dbraw/zinc/79/70/56/671797056.db2.gz XPFZZUFEBIRTNW-LSDHHAIUSA-N 1 3 354.397 2.476 20 0 FEADHO C[C@@H]1CC2(CN1CC(=O)NCCO[C@@H]1CCCC[C@H]1C)CC[NH2+]CC2 ZINC000580432933 671806971 /nfs/dbraw/zinc/80/69/71/671806971.db2.gz UEJYJOKZJYQFQF-KZNAEPCWSA-N 1 3 351.535 2.162 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ncc(C)s3)CC2)CC1 ZINC000584419504 672186373 /nfs/dbraw/zinc/18/63/73/672186373.db2.gz IGDKSOAOCSYGOK-UHFFFAOYSA-N 1 3 350.532 2.264 20 0 FEADHO CS(=O)(=O)CC1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000584714661 672208456 /nfs/dbraw/zinc/20/84/56/672208456.db2.gz XGZVZIXMJDBCKT-APWZRJJASA-N 1 3 364.511 2.047 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1Cl)N(C)C ZINC000170906817 672327092 /nfs/dbraw/zinc/32/70/92/672327092.db2.gz WVIYOIJEESOLBH-YOEHRIQHSA-N 1 3 351.926 2.331 20 0 FEADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc(S(C)(=O)=O)c2)C[C@H](C)O1 ZINC000449104998 673230789 /nfs/dbraw/zinc/23/07/89/673230789.db2.gz XRDATBUQPVBMDB-HOTGVXAUSA-N 1 3 354.516 2.069 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000483121930 673322487 /nfs/dbraw/zinc/32/24/87/673322487.db2.gz BIWQKKQGKFEKOB-GOSISDBHSA-N 1 3 367.534 2.342 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000597055578 673443417 /nfs/dbraw/zinc/44/34/17/673443417.db2.gz LNPAWPKDPNZDLO-HNNXBMFYSA-N 1 3 367.921 2.490 20 0 FEADHO C[C@@H]1CN(CCOC2CC[NH+](CCN3CCCCC3)CC2)C[C@H](C)O1 ZINC000540248732 673531298 /nfs/dbraw/zinc/53/12/98/673531298.db2.gz UXMRBRKGOUCZMU-KDURUIRLSA-N 1 3 353.551 2.063 20 0 FEADHO CC[NH+](CC)CCOCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000544688158 673726802 /nfs/dbraw/zinc/72/68/02/673726802.db2.gz AMJOAMNSSIAFFW-UHFFFAOYSA-N 1 3 354.539 2.005 20 0 FEADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545157592 673747450 /nfs/dbraw/zinc/74/74/50/673747450.db2.gz CVBYNESUAUFFGR-LRDDRELGSA-N 1 3 359.392 2.079 20 0 FEADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000545157592 673747452 /nfs/dbraw/zinc/74/74/52/673747452.db2.gz CVBYNESUAUFFGR-LRDDRELGSA-N 1 3 359.392 2.079 20 0 FEADHO CCN1CCN(C[C@H](C)CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000545309178 673757830 /nfs/dbraw/zinc/75/78/30/673757830.db2.gz LGJRSOFBZFIKAC-GOSISDBHSA-N 1 3 352.567 2.031 20 0 FEADHO CCN1CCN(C[C@H](C)CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000545309178 673757833 /nfs/dbraw/zinc/75/78/33/673757833.db2.gz LGJRSOFBZFIKAC-GOSISDBHSA-N 1 3 352.567 2.031 20 0 FEADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(I)cc1 ZINC000600711410 673793634 /nfs/dbraw/zinc/79/36/34/673793634.db2.gz TURLXNSZWQKPFG-LLVKDONJSA-N 1 3 360.239 2.450 20 0 FEADHO CS(=O)(=O)CC[NH2+]CCCCN1CCC(Cc2ccccc2)CC1 ZINC000819049393 675255589 /nfs/dbraw/zinc/25/55/89/675255589.db2.gz WHQIZYYWZARZPU-UHFFFAOYSA-N 1 3 352.544 2.356 20 0 FEADHO NCc1cn([C@H]2CCC[N@H+](CCC(=O)Nc3ccc(Cl)cc3)C2)nn1 ZINC000566965007 675256350 /nfs/dbraw/zinc/25/63/50/675256350.db2.gz XUIMVYKUOISPAS-INIZCTEOSA-N 1 3 362.865 2.056 20 0 FEADHO NCc1cn([C@H]2CCC[N@@H+](CCC(=O)Nc3ccc(Cl)cc3)C2)nn1 ZINC000566965007 675256353 /nfs/dbraw/zinc/25/63/53/675256353.db2.gz XUIMVYKUOISPAS-INIZCTEOSA-N 1 3 362.865 2.056 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2c(F)cccc2C1 ZINC000820081228 675335210 /nfs/dbraw/zinc/33/52/10/675335210.db2.gz XRSZWASYJSQEAP-HNNXBMFYSA-N 1 3 350.482 2.165 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2c(F)cccc2C1 ZINC000820081228 675335211 /nfs/dbraw/zinc/33/52/11/675335211.db2.gz XRSZWASYJSQEAP-HNNXBMFYSA-N 1 3 350.482 2.165 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cccc(C(F)(F)F)n1 ZINC000824825487 675623689 /nfs/dbraw/zinc/62/36/89/675623689.db2.gz ARMVXVDMJHZQEW-ZDUSSCGKSA-N 1 3 360.424 2.031 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cccc(C(F)(F)F)n1 ZINC000824825487 675623692 /nfs/dbraw/zinc/62/36/92/675623692.db2.gz ARMVXVDMJHZQEW-ZDUSSCGKSA-N 1 3 360.424 2.031 20 0 FEADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000624119570 676565431 /nfs/dbraw/zinc/56/54/31/676565431.db2.gz FGGPACBOQGCJBM-HOTGVXAUSA-N 1 3 353.532 2.319 20 0 FEADHO O[C@H](C[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1)CN1CCCC1 ZINC000629578438 676860760 /nfs/dbraw/zinc/86/07/60/676860760.db2.gz YHMKAVAXWBUDQW-LSDHHAIUSA-N 1 3 357.420 2.330 20 0 FEADHO CCC1([NH+](C)C)CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000634122204 677071501 /nfs/dbraw/zinc/07/15/01/677071501.db2.gz RVFFBJXAXIBNNB-UHFFFAOYSA-N 1 3 351.535 2.354 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(Cc2cccs2)C1 ZINC000637266060 677125224 /nfs/dbraw/zinc/12/52/24/677125224.db2.gz VKVQRTNRGZMLCW-HNNXBMFYSA-N 1 3 352.548 2.204 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(Cc2cccs2)C1 ZINC000637266060 677125225 /nfs/dbraw/zinc/12/52/25/677125225.db2.gz VKVQRTNRGZMLCW-HNNXBMFYSA-N 1 3 352.548 2.204 20 0 FEADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000638761204 677149869 /nfs/dbraw/zinc/14/98/69/677149869.db2.gz ZTJDYQHCVJKAIO-OAHLLOKOSA-N 1 3 352.910 2.139 20 0 FEADHO C[NH+]1CCC2(CCN(CC(=O)NCCCOC3CCCCC3)C2)CC1 ZINC000639758060 677165273 /nfs/dbraw/zinc/16/52/73/677165273.db2.gz PCXIOHYWXVDUJW-UHFFFAOYSA-N 1 3 351.535 2.260 20 0 FEADHO O[C@@H](C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000644524628 677245170 /nfs/dbraw/zinc/24/51/70/677245170.db2.gz UNZOQJDLQPFBPV-KRWDZBQOSA-N 1 3 359.436 2.097 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(CCOC)CC3)CC2)CC1 ZINC000646915989 677292277 /nfs/dbraw/zinc/29/22/77/677292277.db2.gz ZGMYKCCYIGLARP-UHFFFAOYSA-N 1 3 351.535 2.116 20 0 FEADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)C[C@@H]1C ZINC000649547460 677332581 /nfs/dbraw/zinc/33/25/81/677332581.db2.gz TXXCAORQVFJIDC-YJBOKZPZSA-N 1 3 365.543 2.432 20 0 FEADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)C[C@@H]1C ZINC000649547460 677332582 /nfs/dbraw/zinc/33/25/82/677332582.db2.gz TXXCAORQVFJIDC-YJBOKZPZSA-N 1 3 365.543 2.432 20 0 FEADHO CC(C)N(C(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCC1 ZINC000652347573 677480804 /nfs/dbraw/zinc/48/08/04/677480804.db2.gz DRUCBDZYYNCVLB-LNLFQRSKSA-N 1 3 351.535 2.384 20 0 FEADHO CN(CC1CCCCC1)C(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347517 677480819 /nfs/dbraw/zinc/48/08/19/677480819.db2.gz CVYASMMEJNZQTB-FHWLQOOXSA-N 1 3 351.535 2.243 20 0 FEADHO CC[C@@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)[C@H](C)CO1 ZINC000655161996 677626458 /nfs/dbraw/zinc/62/64/58/677626458.db2.gz ATCVSDXSCIKIJU-VQIMIIECSA-N 1 3 351.535 2.209 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655467792 677642471 /nfs/dbraw/zinc/64/24/71/677642471.db2.gz KJBYLPUNQCHIJQ-LPHOPBHVSA-N 1 3 351.441 2.245 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000657034930 677919368 /nfs/dbraw/zinc/91/93/68/677919368.db2.gz VDZDPUJNTLIGHS-INIZCTEOSA-N 1 3 353.532 2.147 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000657034930 677919373 /nfs/dbraw/zinc/91/93/73/677919373.db2.gz VDZDPUJNTLIGHS-INIZCTEOSA-N 1 3 353.532 2.147 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000657160247 677966457 /nfs/dbraw/zinc/96/64/57/677966457.db2.gz DQKMPFALLIVXFE-KRWDZBQOSA-N 1 3 365.543 2.434 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000657160247 677966459 /nfs/dbraw/zinc/96/64/59/677966459.db2.gz DQKMPFALLIVXFE-KRWDZBQOSA-N 1 3 365.543 2.434 20 0 FEADHO CN1CCC([N@@H+]2CC[C@@H](NCc3c(F)cncc3Br)C2)CC1 ZINC000657358385 677996784 /nfs/dbraw/zinc/99/67/84/677996784.db2.gz CNVCGWNZSJVDHA-GFCCVEGCSA-N 1 3 371.298 2.241 20 0 FEADHO CN1CCC([N@H+]2CC[C@@H](NCc3c(F)cncc3Br)C2)CC1 ZINC000657358385 677996787 /nfs/dbraw/zinc/99/67/87/677996787.db2.gz CNVCGWNZSJVDHA-GFCCVEGCSA-N 1 3 371.298 2.241 20 0 FEADHO Cc1c(Br)cncc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000657458661 678001773 /nfs/dbraw/zinc/00/17/73/678001773.db2.gz NKGVVYJGSMERKS-UHFFFAOYSA-N 1 3 355.324 2.268 20 0 FEADHO CNS(=O)(=O)c1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000660157564 678299234 /nfs/dbraw/zinc/29/92/34/678299234.db2.gz KLTMDFKMWQUXIV-UHFFFAOYSA-N 1 3 353.532 2.149 20 0 FEADHO CCN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCN(C)C1 ZINC000664094356 678830918 /nfs/dbraw/zinc/83/09/18/678830918.db2.gz RCYSWTAJAATHNS-KRWDZBQOSA-N 1 3 368.591 2.474 20 0 FEADHO Cc1csc([C@H](C)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000664647047 678908911 /nfs/dbraw/zinc/90/89/11/678908911.db2.gz KYBLHVHZZYMBMB-KGLIPLIRSA-N 1 3 355.552 2.126 20 0 FEADHO Cc1csc([C@H](C)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000664647047 678908912 /nfs/dbraw/zinc/90/89/12/678908912.db2.gz KYBLHVHZZYMBMB-KGLIPLIRSA-N 1 3 355.552 2.126 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000665637565 678974183 /nfs/dbraw/zinc/97/41/83/678974183.db2.gz HJXPLXOPBUVWSH-AWEZNQCLSA-N 1 3 356.461 2.378 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000665637565 678974186 /nfs/dbraw/zinc/97/41/86/678974186.db2.gz HJXPLXOPBUVWSH-AWEZNQCLSA-N 1 3 356.461 2.378 20 0 FEADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCCCC1 ZINC000671098228 679310542 /nfs/dbraw/zinc/31/05/42/679310542.db2.gz YGBPUTHBZVJLNY-AWEZNQCLSA-N 1 3 356.308 2.465 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3sc(C)nc3C)C2)CC[N@@H+]1C ZINC001028551616 680375651 /nfs/dbraw/zinc/37/56/51/680375651.db2.gz SWAAURLVHGACIT-IXDOHACOSA-N 1 3 364.559 2.428 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3sc(C)nc3C)C2)CC[N@H+]1C ZINC001028551616 680375657 /nfs/dbraw/zinc/37/56/57/680375657.db2.gz SWAAURLVHGACIT-IXDOHACOSA-N 1 3 364.559 2.428 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3ccnc(Cl)c3)C2)CC[N@@H+]1C ZINC000999191352 680398036 /nfs/dbraw/zinc/39/80/36/680398036.db2.gz XSGCGHBVEKGYLE-FVQBIDKESA-N 1 3 350.894 2.156 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3ccnc(Cl)c3)C2)CC[N@H+]1C ZINC000999191352 680398041 /nfs/dbraw/zinc/39/80/41/680398041.db2.gz XSGCGHBVEKGYLE-FVQBIDKESA-N 1 3 350.894 2.156 20 0 FEADHO Cc1ncsc1CN1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001041295783 680503523 /nfs/dbraw/zinc/50/35/23/680503523.db2.gz AHYNZCRYJKILLA-MDZRGWNJSA-N 1 3 362.543 2.216 20 0 FEADHO Cc1ncsc1CN1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001041295783 680503524 /nfs/dbraw/zinc/50/35/24/680503524.db2.gz AHYNZCRYJKILLA-MDZRGWNJSA-N 1 3 362.543 2.216 20 0 FEADHO CCCCCCN(C)CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000769316314 680977653 /nfs/dbraw/zinc/97/76/53/680977653.db2.gz ONXHUKFISSSBNF-RTBURBONSA-N 1 3 353.551 2.383 20 0 FEADHO O[C@@H](CNCCC[NH+]1CCC(O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000843061680 680985084 /nfs/dbraw/zinc/98/50/84/680985084.db2.gz HDIQUPJJQIPILF-INIZCTEOSA-N 1 3 362.392 2.055 20 0 FEADHO CC[N@H+](C)C[C@@H](O)CN(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000846822815 681295029 /nfs/dbraw/zinc/29/50/29/681295029.db2.gz PPBUSNANPINNPR-QGZVFWFLSA-N 1 3 355.523 2.163 20 0 FEADHO CC[N@@H+](C)C[C@@H](O)CN(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000846822815 681295034 /nfs/dbraw/zinc/29/50/34/681295034.db2.gz PPBUSNANPINNPR-QGZVFWFLSA-N 1 3 355.523 2.163 20 0 FEADHO C[C@](O)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000849001718 681647450 /nfs/dbraw/zinc/64/74/50/681647450.db2.gz URXYNQJPZPJCLY-INIZCTEOSA-N 1 3 358.408 2.078 20 0 FEADHO COc1cccc([C@H](CNC(=S)NCCC[NH+](C)C)N2CCCC2)c1 ZINC000916546112 685525309 /nfs/dbraw/zinc/52/53/09/685525309.db2.gz KFESUIMQTWFPBM-SFHVURJKSA-N 1 3 364.559 2.248 20 0 FEADHO Cc1nc2c(s1)[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCC2 ZINC000853972206 682496991 /nfs/dbraw/zinc/49/69/91/682496991.db2.gz UVNPKYNGCYTWNZ-BBRMVZONSA-N 1 3 367.563 2.400 20 0 FEADHO Cc1nc2c(s1)[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCC2 ZINC000853972206 682496995 /nfs/dbraw/zinc/49/69/95/682496995.db2.gz UVNPKYNGCYTWNZ-BBRMVZONSA-N 1 3 367.563 2.400 20 0 FEADHO CSC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603909 682794096 /nfs/dbraw/zinc/79/40/96/682794096.db2.gz HAWGYCWGUPXDRS-FUHWJXTLSA-N 1 3 353.532 2.099 20 0 FEADHO CSC[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603909 682794099 /nfs/dbraw/zinc/79/40/99/682794099.db2.gz HAWGYCWGUPXDRS-FUHWJXTLSA-N 1 3 353.532 2.099 20 0 FEADHO CN1CC[C@H]([NH2+]CCOCCCNC(=O)OC(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000858532953 682977664 /nfs/dbraw/zinc/97/76/64/682977664.db2.gz OUHKVIZKKBWLAD-YESZJQIVSA-N 1 3 355.523 2.380 20 0 FEADHO CCCCCCN(C)CC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926175612 683088959 /nfs/dbraw/zinc/08/89/59/683088959.db2.gz ZGUCTDVFVWHCDJ-LFGUQSLTSA-N 1 3 353.551 2.094 20 0 FEADHO CCCCCCN(C)CC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926175612 683088961 /nfs/dbraw/zinc/08/89/61/683088961.db2.gz ZGUCTDVFVWHCDJ-LFGUQSLTSA-N 1 3 353.551 2.094 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)CC(F)(F)C(F)(F)F)CC2)CC1 ZINC000865064501 683930261 /nfs/dbraw/zinc/93/02/61/683930261.db2.gz UJWPBFCZPCVVNH-UHFFFAOYSA-N 1 3 357.367 2.249 20 0 FEADHO CNS(=O)(=O)Cc1ccc(C[NH2+]C2CCN(CCC(C)C)CC2)cc1 ZINC000924739618 684485009 /nfs/dbraw/zinc/48/50/09/684485009.db2.gz XRRJZRLKUDRIDS-UHFFFAOYSA-N 1 3 367.559 2.336 20 0 FEADHO CN(CCN[C@H](CCC[NH3+])c1ccccc1)S(=O)(=O)c1cccs1 ZINC000925617295 684574332 /nfs/dbraw/zinc/57/43/32/684574332.db2.gz PJNWJSNVXURKCE-MRXNPFEDSA-N 1 3 367.540 2.438 20 0 FEADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925783934 684585025 /nfs/dbraw/zinc/58/50/25/684585025.db2.gz POQIKWCTRNXPED-JSGCOSHPSA-N 1 3 361.458 2.344 20 0 FEADHO C[C@H](CN1CCC(C)CC1)NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870954359 684775632 /nfs/dbraw/zinc/77/56/32/684775632.db2.gz HWWGPGXWZUQULK-CQSZACIVSA-N 1 3 350.532 2.460 20 0 FEADHO C[C@@H]1CN(c2ccc(CNCc3cc4c(s3)CC[NH2+]C4)cn2)CCO1 ZINC000873212450 685097746 /nfs/dbraw/zinc/09/77/46/685097746.db2.gz KOQLPJOOHFROSJ-CQSZACIVSA-N 1 3 358.511 2.304 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876876077 686286242 /nfs/dbraw/zinc/28/62/42/686286242.db2.gz JQXFSKDQELQTLF-PXTSUWAFSA-N 1 3 351.441 2.411 20 0 FEADHO CCCCN(CC(=O)NC1CC[NH+](C)CC1)[C@H]1CCc2ncsc2C1 ZINC000878770619 686655214 /nfs/dbraw/zinc/65/52/14/686655214.db2.gz QXFCAANBXFNTPI-INIZCTEOSA-N 1 3 364.559 2.313 20 0 FEADHO Cc1ncc(CNC(=O)CCN2CCN(c3cc[nH+]cc3)C[C@H]2C)s1 ZINC000887136535 688371540 /nfs/dbraw/zinc/37/15/40/688371540.db2.gz WINBWPMSEXIAFY-CQSZACIVSA-N 1 3 359.499 2.064 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccsc1 ZINC000891878701 689121223 /nfs/dbraw/zinc/12/12/23/689121223.db2.gz XBZCUGSMWVPBDC-BBWFWOEESA-N 1 3 350.532 2.334 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccsc1 ZINC000891878701 689121225 /nfs/dbraw/zinc/12/12/25/689121225.db2.gz XBZCUGSMWVPBDC-BBWFWOEESA-N 1 3 350.532 2.334 20 0 FEADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)C1C[NH+](C2CCOCC2)C1 ZINC000895466920 689721674 /nfs/dbraw/zinc/72/16/74/689721674.db2.gz IRWUDWWOFHWXFI-KRWDZBQOSA-N 1 3 363.527 2.112 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccsc1 ZINC000900193091 690481919 /nfs/dbraw/zinc/48/19/19/690481919.db2.gz ZFBWUMSBCBQHES-WMZOPIPTSA-N 1 3 353.532 2.094 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccsc1 ZINC000900193091 690481922 /nfs/dbraw/zinc/48/19/22/690481922.db2.gz ZFBWUMSBCBQHES-WMZOPIPTSA-N 1 3 353.532 2.094 20 0 FEADHO Cc1cccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1Br ZINC000903713549 690965883 /nfs/dbraw/zinc/96/58/83/690965883.db2.gz VLIGLZVFCJQZQE-CQSZACIVSA-N 1 3 354.292 2.044 20 0 FEADHO O=S(=O)(CCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1 ZINC000903749876 690969842 /nfs/dbraw/zinc/96/98/42/690969842.db2.gz RDESIGVVOJKLHF-IAGOWNOFSA-N 1 3 351.516 2.140 20 0 FEADHO Brc1ccc(OCCCCN2CCNCC[NH2+]CC2)cc1 ZINC000903785885 690972180 /nfs/dbraw/zinc/97/21/80/690972180.db2.gz ANIMTKSSYQBGIV-UHFFFAOYSA-N 1 3 356.308 2.103 20 0 FEADHO Brc1ccc(OCCCC[NH+]2CCNCCNCC2)cc1 ZINC000903785885 690972186 /nfs/dbraw/zinc/97/21/86/690972186.db2.gz ANIMTKSSYQBGIV-UHFFFAOYSA-N 1 3 356.308 2.103 20 0 FEADHO Cc1cc2[nH]ccc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)[nH+]1 ZINC001164741069 720712974 /nfs/dbraw/zinc/71/29/74/720712974.db2.gz SKDPYBPAFCCABB-GJZGRUSLSA-N 1 3 350.426 2.003 20 0 FEADHO Cn1cc(CN2CC[C@@H]3CN(c4[nH+]ccc5c4ccn5C)C[C@@H]3C2)cn1 ZINC001164771629 721098127 /nfs/dbraw/zinc/09/81/27/721098127.db2.gz SIMJOZVQKYDCBN-SJORKVTESA-N 1 3 350.470 2.265 20 0 FEADHO CN(C)Cc1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164871544 721167479 /nfs/dbraw/zinc/16/74/79/721167479.db2.gz FGKCEAITIYOMNX-WOJBJXKFSA-N 1 3 367.497 2.018 20 0 FEADHO CN(C)Cc1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164871544 721167491 /nfs/dbraw/zinc/16/74/91/721167491.db2.gz FGKCEAITIYOMNX-WOJBJXKFSA-N 1 3 367.497 2.018 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000041787131 540032927 /nfs/dbraw/zinc/03/29/27/540032927.db2.gz MUOARGALVQZIGK-KRWDZBQOSA-N 1 3 374.529 2.458 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000041787131 540032931 /nfs/dbraw/zinc/03/29/31/540032931.db2.gz MUOARGALVQZIGK-KRWDZBQOSA-N 1 3 374.529 2.458 20 0 FEADHO Cc1ccc(OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000050802408 540415434 /nfs/dbraw/zinc/41/54/34/540415434.db2.gz AZXPWKNZEQABPQ-UHFFFAOYSA-N 1 3 359.514 2.357 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCc3ccccc3)CC2)CC1 ZINC000051238730 540427897 /nfs/dbraw/zinc/42/78/97/540427897.db2.gz NOSLAURTEVVBBG-UHFFFAOYSA-N 1 3 358.530 2.477 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4sccc4C3)CC2)CC1 ZINC000051758982 540443061 /nfs/dbraw/zinc/44/30/61/540443061.db2.gz VSRSECSRUHNTPI-UHFFFAOYSA-N 1 3 362.543 2.374 20 0 FEADHO C[C@@H]1CCCN(CCNC(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000066178447 541288020 /nfs/dbraw/zinc/28/80/20/541288020.db2.gz OELDFFORAJBRFJ-QGZVFWFLSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000067438653 541464452 /nfs/dbraw/zinc/46/44/52/541464452.db2.gz IXRXIHYTKJMMDA-IXDOHACOSA-N 1 3 374.529 2.169 20 0 FEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000067438653 541464455 /nfs/dbraw/zinc/46/44/55/541464455.db2.gz IXRXIHYTKJMMDA-IXDOHACOSA-N 1 3 374.529 2.169 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000069500750 541691834 /nfs/dbraw/zinc/69/18/34/541691834.db2.gz ZLPNBCYYFUCXDO-WOJBJXKFSA-N 1 3 359.514 2.126 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000069500750 541691836 /nfs/dbraw/zinc/69/18/36/541691836.db2.gz ZLPNBCYYFUCXDO-WOJBJXKFSA-N 1 3 359.514 2.126 20 0 FEADHO NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000551007018 674119635 /nfs/dbraw/zinc/11/96/35/674119635.db2.gz CGFSKMUFXOMLFD-IBGZPJMESA-N 1 3 363.527 2.175 20 0 FEADHO C[C@@H]1CCC[C@](CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)([NH+](C)C)C1 ZINC000073811520 542003281 /nfs/dbraw/zinc/00/32/81/542003281.db2.gz YDVUMPRYRXKIFX-HBFSDRIKSA-N 1 3 368.566 2.249 20 0 FEADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000075158806 542155802 /nfs/dbraw/zinc/15/58/02/542155802.db2.gz PVORILWSKWNZAK-LJQANCHMSA-N 1 3 364.578 2.316 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN(C[C@H]2CCCO2)C2CCCC2)CC1 ZINC000075830940 542204949 /nfs/dbraw/zinc/20/49/49/542204949.db2.gz WXBXGKAXXKMFJR-LJQANCHMSA-N 1 3 351.535 2.399 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000077344182 542370677 /nfs/dbraw/zinc/37/06/77/542370677.db2.gz NIUFIHVVGXDXTH-LJQANCHMSA-N 1 3 374.529 2.048 20 0 FEADHO C[NH+](C)Cc1cccc(CNC(=O)N2CCN(CC3CCOCC3)CC2)c1 ZINC000077556748 542397361 /nfs/dbraw/zinc/39/73/61/542397361.db2.gz DDLYMQOLKMHNAR-UHFFFAOYSA-N 1 3 374.529 2.002 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NCC1CCN(c2ccncc2)CC1 ZINC000093134965 542911274 /nfs/dbraw/zinc/91/12/74/542911274.db2.gz FPDATLAQJPGOPK-QGZVFWFLSA-N 1 3 357.502 2.082 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NCC1CCN(c2ccncc2)CC1 ZINC000093134965 542911278 /nfs/dbraw/zinc/91/12/78/542911278.db2.gz FPDATLAQJPGOPK-QGZVFWFLSA-N 1 3 357.502 2.082 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000103212377 543096986 /nfs/dbraw/zinc/09/69/86/543096986.db2.gz WUPHYJQVFRINDI-UHFFFAOYSA-N 1 3 360.527 2.304 20 0 FEADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000105113734 543159224 /nfs/dbraw/zinc/15/92/24/543159224.db2.gz YRUSVYYCMAYLCV-GOSISDBHSA-N 1 3 362.518 2.158 20 0 FEADHO CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000105113734 543159226 /nfs/dbraw/zinc/15/92/26/543159226.db2.gz YRUSVYYCMAYLCV-GOSISDBHSA-N 1 3 362.518 2.158 20 0 FEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000105205368 543164517 /nfs/dbraw/zinc/16/45/17/543164517.db2.gz CFGVRLFSNBHQLX-KRWDZBQOSA-N 1 3 362.518 2.158 20 0 FEADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000105205368 543164519 /nfs/dbraw/zinc/16/45/19/543164519.db2.gz CFGVRLFSNBHQLX-KRWDZBQOSA-N 1 3 362.518 2.158 20 0 FEADHO C[C@H](CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C1CC1 ZINC000105244806 543167007 /nfs/dbraw/zinc/16/70/07/543167007.db2.gz SCLDXKAYAIUUMG-MJGOQNOKSA-N 1 3 358.530 2.333 20 0 FEADHO C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C1CC1 ZINC000105244806 543167009 /nfs/dbraw/zinc/16/70/09/543167009.db2.gz SCLDXKAYAIUUMG-MJGOQNOKSA-N 1 3 358.530 2.333 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106540149 543235181 /nfs/dbraw/zinc/23/51/81/543235181.db2.gz RBBHLODKWWZHKP-RTBURBONSA-N 1 3 358.530 2.475 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106540149 543235184 /nfs/dbraw/zinc/23/51/84/543235184.db2.gz RBBHLODKWWZHKP-RTBURBONSA-N 1 3 358.530 2.475 20 0 FEADHO C[C@H]1CCC[C@@H](OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000112632640 543454367 /nfs/dbraw/zinc/45/43/67/543454367.db2.gz WEKWTFXDIHTVKP-QFBILLFUSA-N 1 3 351.535 2.257 20 0 FEADHO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1)C1CC1 ZINC000118103202 543645806 /nfs/dbraw/zinc/64/58/06/543645806.db2.gz DRMRDYDXZOOIAN-IBGZPJMESA-N 1 3 372.513 2.067 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1Br ZINC000119649375 543669649 /nfs/dbraw/zinc/66/96/49/543669649.db2.gz OUEFWDNFDZDTPO-UHFFFAOYSA-N 1 3 357.296 2.406 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)CCN2CCCC2)c1 ZINC000124184645 543805148 /nfs/dbraw/zinc/80/51/48/543805148.db2.gz DRLYMKVPRBXQCE-UHFFFAOYSA-N 1 3 360.502 2.021 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000125777474 543900836 /nfs/dbraw/zinc/90/08/36/543900836.db2.gz QZUZDSNVOLXJRT-KPFFTGBYSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000125777474 543900839 /nfs/dbraw/zinc/90/08/39/543900839.db2.gz QZUZDSNVOLXJRT-KPFFTGBYSA-N 1 3 356.514 2.290 20 0 FEADHO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126734398 543953747 /nfs/dbraw/zinc/95/37/47/543953747.db2.gz GTDCTMXTQNHSSO-SFHVURJKSA-N 1 3 360.546 2.171 20 0 FEADHO CC(C)[C@@H](C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000130326243 544146950 /nfs/dbraw/zinc/14/69/50/544146950.db2.gz NAJCDNUSBUJJLD-UXHICEINSA-N 1 3 360.546 2.068 20 0 FEADHO COc1ccc([C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)N2CCCC2)cc1 ZINC000133359072 544266134 /nfs/dbraw/zinc/26/61/34/544266134.db2.gz OYABYJZEGBECFU-AEFFLSMTSA-N 1 3 363.527 2.043 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000133611276 544276637 /nfs/dbraw/zinc/27/66/37/544276637.db2.gz DBDPVGHKPIRFLM-AWEZNQCLSA-N 1 3 352.445 2.242 20 0 FEADHO CCC[C@@H](C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)N(C)C ZINC000133780518 544282768 /nfs/dbraw/zinc/28/27/68/544282768.db2.gz RPOSPVKGAUZDGR-SCTDSRPQSA-N 1 3 353.551 2.455 20 0 FEADHO CCC[C@@H](C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)N(C)C ZINC000133780518 544282769 /nfs/dbraw/zinc/28/27/69/544282769.db2.gz RPOSPVKGAUZDGR-SCTDSRPQSA-N 1 3 353.551 2.455 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000134133587 544295604 /nfs/dbraw/zinc/29/56/04/544295604.db2.gz VQZXABUBJHRXJN-GOSISDBHSA-N 1 3 368.566 2.153 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000134133587 544295605 /nfs/dbraw/zinc/29/56/05/544295605.db2.gz VQZXABUBJHRXJN-GOSISDBHSA-N 1 3 368.566 2.153 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000137982231 544393651 /nfs/dbraw/zinc/39/36/51/544393651.db2.gz XOAJIFFNRYOHMF-OALUTQOASA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000137982231 544393653 /nfs/dbraw/zinc/39/36/53/544393653.db2.gz XOAJIFFNRYOHMF-OALUTQOASA-N 1 3 374.529 2.253 20 0 FEADHO C[C@H]1CCC[C@](CNC(=O)c2ccnc(OCCN(C)C)c2)([NH+](C)C)C1 ZINC000136579788 544374789 /nfs/dbraw/zinc/37/47/89/544374789.db2.gz OATWAXHLGSLOIL-JXFKEZNVSA-N 1 3 362.518 2.262 20 0 FEADHO C[C@H]1CCC[C@@](CNC(=O)c2ccnc(OCCN(C)C)c2)([NH+](C)C)C1 ZINC000136579722 544374851 /nfs/dbraw/zinc/37/48/51/544374851.db2.gz OATWAXHLGSLOIL-OXJNMPFZSA-N 1 3 362.518 2.262 20 0 FEADHO CSC[C@H](CCO)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150977880 544493319 /nfs/dbraw/zinc/49/33/19/544493319.db2.gz FJEMMZPRFNDSJX-KRWDZBQOSA-N 1 3 351.560 2.421 20 0 FEADHO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000153737080 544815102 /nfs/dbraw/zinc/81/51/02/544815102.db2.gz DWCDEBPONYREKJ-GOSISDBHSA-N 1 3 372.513 2.069 20 0 FEADHO C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000153737080 544815103 /nfs/dbraw/zinc/81/51/03/544815103.db2.gz DWCDEBPONYREKJ-GOSISDBHSA-N 1 3 372.513 2.069 20 0 FEADHO CC1CC[NH+](CCCCNC(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000154607269 544927435 /nfs/dbraw/zinc/92/74/35/544927435.db2.gz VCCAOQLABYJNSB-IBGZPJMESA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000154618235 544928631 /nfs/dbraw/zinc/92/86/31/544928631.db2.gz FMLAEFIRXWCMOB-SCTDSRPQSA-N 1 3 351.535 2.114 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000154618235 544928633 /nfs/dbraw/zinc/92/86/33/544928633.db2.gz FMLAEFIRXWCMOB-SCTDSRPQSA-N 1 3 351.535 2.114 20 0 FEADHO CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@H](N4CC=CC4)C3)c2)CC1 ZINC000184893324 327888050 /nfs/dbraw/zinc/88/80/50/327888050.db2.gz SGFGPEAHEZDKFD-FQEVSTJZSA-N 1 3 369.513 2.307 20 0 FEADHO CC(=O)NC1CCC([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000187170447 328006489 /nfs/dbraw/zinc/00/64/89/328006489.db2.gz HLELRYHERRMXJD-UHFFFAOYSA-N 1 3 359.514 2.180 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(NC(C)=O)c1C ZINC000187866082 328051496 /nfs/dbraw/zinc/05/14/96/328051496.db2.gz VBLWGCUFGSRHQK-GOSISDBHSA-N 1 3 374.529 2.442 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(NC(C)=O)c1C ZINC000187866082 328051498 /nfs/dbraw/zinc/05/14/98/328051498.db2.gz VBLWGCUFGSRHQK-GOSISDBHSA-N 1 3 374.529 2.442 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cc1 ZINC000189416927 328146720 /nfs/dbraw/zinc/14/67/20/328146720.db2.gz XFSALZVGBZZHRR-QGZVFWFLSA-N 1 3 374.529 2.315 20 0 FEADHO CC[C@@]1(CO)CCCN1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000189613800 328158276 /nfs/dbraw/zinc/15/82/76/328158276.db2.gz QZHRYVZYBWYOKD-QFIPXVFZSA-N 1 3 373.541 2.313 20 0 FEADHO CC[N@H+](CCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000192373318 328316167 /nfs/dbraw/zinc/31/61/67/328316167.db2.gz NPVKWTMZATXOGE-FQEVSTJZSA-N 1 3 374.529 2.061 20 0 FEADHO CC[N@@H+](CCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000192373318 328316168 /nfs/dbraw/zinc/31/61/68/328316168.db2.gz NPVKWTMZATXOGE-FQEVSTJZSA-N 1 3 374.529 2.061 20 0 FEADHO [NH3+]CCc1nc(C(=O)NC2CCN(CCc3ccccc3)CC2)cs1 ZINC000194827434 328442445 /nfs/dbraw/zinc/44/24/45/328442445.db2.gz CWKVOCRTBVHZAH-UHFFFAOYSA-N 1 3 358.511 2.081 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)C[C@H]1CSCCN1 ZINC000236872522 328496806 /nfs/dbraw/zinc/49/68/06/328496806.db2.gz FKCWHBUGJFVXTB-KRWDZBQOSA-N 1 3 365.543 2.119 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000084332908 325233564 /nfs/dbraw/zinc/23/35/64/325233564.db2.gz RZQGZRSKCNAVKP-UHFFFAOYSA-N 1 3 364.519 2.102 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000089666175 325326072 /nfs/dbraw/zinc/32/60/72/325326072.db2.gz ZLVRNVZDAVICJK-DVOMOZLQSA-N 1 3 368.319 2.497 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000089666175 325326075 /nfs/dbraw/zinc/32/60/75/325326075.db2.gz ZLVRNVZDAVICJK-DVOMOZLQSA-N 1 3 368.319 2.497 20 0 FEADHO CC[C@H](CSC)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000091215644 325380220 /nfs/dbraw/zinc/38/02/20/325380220.db2.gz KUCRVYXEZIYUMJ-MRXNPFEDSA-N 1 3 356.580 2.328 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000091232418 325381552 /nfs/dbraw/zinc/38/15/52/325381552.db2.gz XETGXDTVVRJUOO-LJQANCHMSA-N 1 3 357.502 2.178 20 0 FEADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000091372401 325385813 /nfs/dbraw/zinc/38/58/13/325385813.db2.gz XYWVAFWHPUENLR-HNNXBMFYSA-N 1 3 374.510 2.296 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000122474122 326398144 /nfs/dbraw/zinc/39/81/44/326398144.db2.gz ZMGRHWHSWKRICA-QGZVFWFLSA-N 1 3 374.529 2.315 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NC2CC[NH+](C)CC2)N2CCCC2)c1 ZINC000126830410 326495843 /nfs/dbraw/zinc/49/58/43/326495843.db2.gz XYOBPUCVGCMIHA-LJQANCHMSA-N 1 3 360.502 2.226 20 0 FEADHO COCCN1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000140261373 326664142 /nfs/dbraw/zinc/66/41/42/326664142.db2.gz XEKLOINCIBIHCC-UHFFFAOYSA-N 1 3 374.529 2.192 20 0 FEADHO CCC[NH+]1CCC(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC1 ZINC000155153358 326779578 /nfs/dbraw/zinc/77/95/78/326779578.db2.gz QNTXUWZIZFFFIX-UHFFFAOYSA-N 1 3 373.541 2.495 20 0 FEADHO COCCCN1CCC(NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000161545882 327002500 /nfs/dbraw/zinc/00/25/00/327002500.db2.gz GFIIAAKLTPSUNC-UHFFFAOYSA-N 1 3 368.566 2.251 20 0 FEADHO C[N@H+](CCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C1CCCC1 ZINC000163496080 327052952 /nfs/dbraw/zinc/05/29/52/327052952.db2.gz WTYQMSONIDTNCG-UHFFFAOYSA-N 1 3 373.541 2.495 20 0 FEADHO C[N@@H+](CCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C1CCCC1 ZINC000163496080 327052953 /nfs/dbraw/zinc/05/29/53/327052953.db2.gz WTYQMSONIDTNCG-UHFFFAOYSA-N 1 3 373.541 2.495 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000173747915 327280953 /nfs/dbraw/zinc/28/09/53/327280953.db2.gz RRWZGSAFSQXSLZ-UHFFFAOYSA-N 1 3 358.530 2.431 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(OCCN(C)C)cc2)CC[N@@H+]1C ZINC000173754126 327281712 /nfs/dbraw/zinc/28/17/12/327281712.db2.gz RVQNGHKHJBAENP-WMZOPIPTSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(OCCN(C)C)cc2)CC[N@H+]1C ZINC000173754126 327281713 /nfs/dbraw/zinc/28/17/13/327281713.db2.gz RVQNGHKHJBAENP-WMZOPIPTSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCN1C ZINC000173754126 327281715 /nfs/dbraw/zinc/28/17/15/327281715.db2.gz RVQNGHKHJBAENP-WMZOPIPTSA-N 1 3 362.518 2.251 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000173897567 327292429 /nfs/dbraw/zinc/29/24/29/327292429.db2.gz PQVJIUYLPOBZAG-SESVDKBCSA-N 1 3 372.557 2.039 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000173897567 327292431 /nfs/dbraw/zinc/29/24/31/327292431.db2.gz PQVJIUYLPOBZAG-SESVDKBCSA-N 1 3 372.557 2.039 20 0 FEADHO CSc1cccc(NC(=O)[C@H](C)N(C)CCC[NH+]2CCN(C)CC2)c1 ZINC000174726432 327346176 /nfs/dbraw/zinc/34/61/76/327346176.db2.gz VPQFCWUDJNUZOU-INIZCTEOSA-N 1 3 364.559 2.305 20 0 FEADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000246833630 328649337 /nfs/dbraw/zinc/64/93/37/328649337.db2.gz APUISHPEQMKSCK-BRWVUGGUSA-N 1 3 358.490 2.202 20 0 FEADHO CCC(CC)(C[NH3+])C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000261833804 328823048 /nfs/dbraw/zinc/82/30/48/328823048.db2.gz OMMCSRCXQDMLLL-UHFFFAOYSA-N 1 3 360.502 2.216 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000262574677 328874034 /nfs/dbraw/zinc/87/40/34/328874034.db2.gz IXAQCOFPSYIXDC-RTBURBONSA-N 1 3 358.530 2.093 20 0 FEADHO O=C(CCC1CC[NH2+]CC1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000263277561 328929994 /nfs/dbraw/zinc/92/99/94/328929994.db2.gz TUWMNOCTJKZJMJ-UHFFFAOYSA-N 1 3 359.514 2.039 20 0 FEADHO C[C@@H](CNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)N(C)C1CC1 ZINC000264283860 329007342 /nfs/dbraw/zinc/00/73/42/329007342.db2.gz KHRYNVGOWXIKRZ-INIZCTEOSA-N 1 3 362.518 2.299 20 0 FEADHO CN(CCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000264854042 329067868 /nfs/dbraw/zinc/06/78/68/329067868.db2.gz MGUGWSHTHSECSI-UHFFFAOYSA-N 1 3 350.532 2.354 20 0 FEADHO CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)c2C1 ZINC000265363870 329118944 /nfs/dbraw/zinc/11/89/44/329118944.db2.gz FJZPLRLIWAUFIV-OAHLLOKOSA-N 1 3 372.513 2.196 20 0 FEADHO CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCC[N@@H+](C)C3CC3)c2C1 ZINC000265363870 329118946 /nfs/dbraw/zinc/11/89/46/329118946.db2.gz FJZPLRLIWAUFIV-OAHLLOKOSA-N 1 3 372.513 2.196 20 0 FEADHO COC[C@H]1CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000265811347 329162706 /nfs/dbraw/zinc/16/27/06/329162706.db2.gz QBZYICVAROFRSB-MJGOQNOKSA-N 1 3 359.514 2.124 20 0 FEADHO COCCN1CC[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000267419710 329325362 /nfs/dbraw/zinc/32/53/62/329325362.db2.gz PRKSNWGMZIBSTK-IBGZPJMESA-N 1 3 374.529 2.013 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000268045644 329379893 /nfs/dbraw/zinc/37/98/93/329379893.db2.gz ZTXKEUCOUWJVSG-LPHOPBHVSA-N 1 3 358.530 2.067 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000268045644 329379894 /nfs/dbraw/zinc/37/98/94/329379894.db2.gz ZTXKEUCOUWJVSG-LPHOPBHVSA-N 1 3 358.530 2.067 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000268822277 329458751 /nfs/dbraw/zinc/45/87/51/329458751.db2.gz OLZVLZIXKRBQNC-LJQANCHMSA-N 1 3 360.546 2.201 20 0 FEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(O)CCN(C(C)C)CC2)cc1 ZINC000269012903 329477657 /nfs/dbraw/zinc/47/76/57/329477657.db2.gz NNEBKMJBGRLKOR-INIZCTEOSA-N 1 3 363.502 2.237 20 0 FEADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)CC3CC[NH2+]CC3)cc2)CC1 ZINC000269242138 329499895 /nfs/dbraw/zinc/49/98/95/329499895.db2.gz BKPFZSZSVISEEL-UHFFFAOYSA-N 1 3 373.501 2.231 20 0 FEADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000271651124 329711736 /nfs/dbraw/zinc/71/17/36/329711736.db2.gz BCCDXDIHWZGQBG-MOPGFXCFSA-N 1 3 368.543 2.115 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000272657359 329802142 /nfs/dbraw/zinc/80/21/42/329802142.db2.gz LWOZIDFUDKLNOZ-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO COC(=O)c1ccc(-c2ccc(CNCC3(O)CC[NH+](C)CC3)o2)cc1 ZINC000274833394 329984323 /nfs/dbraw/zinc/98/43/23/329984323.db2.gz KGIXFENWUPEUOG-UHFFFAOYSA-N 1 3 358.438 2.280 20 0 FEADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000275865899 330097800 /nfs/dbraw/zinc/09/78/00/330097800.db2.gz BZPZXURPVSNBJM-UHFFFAOYSA-N 1 3 362.518 2.267 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)COc2ccccc2F)[C@H](C)C1 ZINC000276154391 330124448 /nfs/dbraw/zinc/12/44/48/330124448.db2.gz CLBYTSBLQQLMQC-LMMKCTJWSA-N 1 3 368.493 2.292 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)COc2ccccc2F)[C@H](C)C1 ZINC000276154391 330124450 /nfs/dbraw/zinc/12/44/50/330124450.db2.gz CLBYTSBLQQLMQC-LMMKCTJWSA-N 1 3 368.493 2.292 20 0 FEADHO Cc1ccccc1NC(=O)CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367026773 330208321 /nfs/dbraw/zinc/20/83/21/330208321.db2.gz COHWCLVJBWMHJB-AZUAARDMSA-N 1 3 358.530 2.281 20 0 FEADHO O=C(CCC1CC[NH2+]CC1)NCc1ccccc1CN1CCC(O)CC1 ZINC000156050517 545595780 /nfs/dbraw/zinc/59/57/80/545595780.db2.gz XYXJYDJXQZNQGK-UHFFFAOYSA-N 1 3 359.514 2.039 20 0 FEADHO CC1(C(=O)NC[C@@H](O)CN2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000156436326 545627086 /nfs/dbraw/zinc/62/70/86/545627086.db2.gz UNCXSHOLUSCXSM-HXUWFJFHSA-N 1 3 373.541 2.252 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000477449598 561145264 /nfs/dbraw/zinc/14/52/64/561145264.db2.gz SAOLCFISTYVUMU-UHFFFAOYSA-N 1 3 354.539 2.048 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)cc2)CC1 ZINC000157229268 545717052 /nfs/dbraw/zinc/71/70/52/545717052.db2.gz IILDJQXWSHXASD-CTNGQTDRSA-N 1 3 370.541 2.385 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)cc2)CC1 ZINC000157229268 545717058 /nfs/dbraw/zinc/71/70/58/545717058.db2.gz IILDJQXWSHXASD-CTNGQTDRSA-N 1 3 370.541 2.385 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(N(C)C)nc1 ZINC000157911262 545799156 /nfs/dbraw/zinc/79/91/56/545799156.db2.gz LLDIFHDAXNGRCM-QGZVFWFLSA-N 1 3 362.522 2.027 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(N(C)C)nc1 ZINC000157911262 545799162 /nfs/dbraw/zinc/79/91/62/545799162.db2.gz LLDIFHDAXNGRCM-QGZVFWFLSA-N 1 3 362.522 2.027 20 0 FEADHO C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H](CN)c2ccc(F)cc2)cc1 ZINC000479201149 561184313 /nfs/dbraw/zinc/18/43/13/561184313.db2.gz AXTBVNOTYJUZBP-FQEVSTJZSA-N 1 3 373.472 2.167 20 0 FEADHO CCc1ccccc1NC(=O)CN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000479682680 561194843 /nfs/dbraw/zinc/19/48/43/561194843.db2.gz CLEXUWXXLZRQEF-UHFFFAOYSA-N 1 3 358.530 2.195 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000175589697 546315648 /nfs/dbraw/zinc/31/56/48/546315648.db2.gz MKQUMGFEJGYQLM-LJQANCHMSA-N 1 3 363.502 2.359 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176024606 546392761 /nfs/dbraw/zinc/39/27/61/546392761.db2.gz KZVMMUGRTMBSMP-IBGZPJMESA-N 1 3 366.550 2.146 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000176043095 546395509 /nfs/dbraw/zinc/39/55/09/546395509.db2.gz CWWGYEGXBXFVBX-UHFFFAOYSA-N 1 3 374.529 2.233 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000176264420 546425848 /nfs/dbraw/zinc/42/58/48/546425848.db2.gz PRQKCHMAHRIJGF-ZWKOTPCHSA-N 1 3 368.566 2.295 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000176264420 546425850 /nfs/dbraw/zinc/42/58/50/546425850.db2.gz PRQKCHMAHRIJGF-ZWKOTPCHSA-N 1 3 368.566 2.295 20 0 FEADHO CCN(Cc1ccccn1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000177287992 546587228 /nfs/dbraw/zinc/58/72/28/546587228.db2.gz VVTHMXYIINLYEA-UHFFFAOYSA-N 1 3 359.518 2.172 20 0 FEADHO C[C@H](C(=O)NCCC1=CCCCC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177380830 546603988 /nfs/dbraw/zinc/60/39/88/546603988.db2.gz HQRWXBWHFFEBCL-GOSISDBHSA-N 1 3 364.578 2.339 20 0 FEADHO C[C@@H](C(=O)NCCC1=CCCCC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177380814 546604211 /nfs/dbraw/zinc/60/42/11/546604211.db2.gz HQRWXBWHFFEBCL-SFHVURJKSA-N 1 3 364.578 2.339 20 0 FEADHO C[C@@H](CNC(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000177383944 546606154 /nfs/dbraw/zinc/60/61/54/546606154.db2.gz BDABBFYPANBNFT-OALUTQOASA-N 1 3 374.573 2.253 20 0 FEADHO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177385739 546606223 /nfs/dbraw/zinc/60/62/23/546606223.db2.gz RVDGPSLUFZCXDP-MLYOOKFZSA-N 1 3 366.594 2.274 20 0 FEADHO CC(C)N1CC[C@@H](N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000177507060 546632129 /nfs/dbraw/zinc/63/21/29/546632129.db2.gz APWSZXVUUQYJEZ-ZIFCJYIRSA-N 1 3 351.535 2.207 20 0 FEADHO CC(C)N1CC[C@@H](N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000177507060 546632132 /nfs/dbraw/zinc/63/21/32/546632132.db2.gz APWSZXVUUQYJEZ-ZIFCJYIRSA-N 1 3 351.535 2.207 20 0 FEADHO CN(C)[C@@]1(CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)CCSC1 ZINC000481809094 561242987 /nfs/dbraw/zinc/24/29/87/561242987.db2.gz NYJGIUXBSNZWKC-GOSISDBHSA-N 1 3 366.531 2.186 20 0 FEADHO COc1cc(C)c([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000482550282 561255938 /nfs/dbraw/zinc/25/59/38/561255938.db2.gz QAPNASMMPQQTSA-JKSUJKDBSA-N 1 3 363.502 2.250 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]CC2(N3CCCC3)CCOCC2)[C@@H](C)C1 ZINC000482568171 561256125 /nfs/dbraw/zinc/25/61/25/561256125.db2.gz WBBCCEHLAYILRY-VQTJNVASSA-N 1 3 367.578 2.358 20 0 FEADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000482864867 561261769 /nfs/dbraw/zinc/26/17/69/561261769.db2.gz BXKKOIMBDIIRIJ-QGZVFWFLSA-N 1 3 369.513 2.466 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000181975033 547414973 /nfs/dbraw/zinc/41/49/73/547414973.db2.gz GBLJSJOASPDKMC-QRVBRYPASA-N 1 3 359.514 2.271 20 0 FEADHO CCC[C@H]1C[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000183530749 547676354 /nfs/dbraw/zinc/67/63/54/547676354.db2.gz LEKJAJSCNMKJFM-APWZRJJASA-N 1 3 351.535 2.257 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000192900758 548375051 /nfs/dbraw/zinc/37/50/51/548375051.db2.gz YCFFKDDLCQHTLW-UHFFFAOYSA-N 1 3 359.514 2.460 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000486492075 561348843 /nfs/dbraw/zinc/34/88/43/561348843.db2.gz JRPNHNQNZWJTME-AOIWGVFYSA-N 1 3 359.514 2.200 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000486492075 561348844 /nfs/dbraw/zinc/34/88/44/561348844.db2.gz JRPNHNQNZWJTME-AOIWGVFYSA-N 1 3 359.514 2.200 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)NC[C@@H]1CCCN1C ZINC000195127296 548580540 /nfs/dbraw/zinc/58/05/40/548580540.db2.gz UNADTJPOKRYIQP-SFHVURJKSA-N 1 3 362.518 2.301 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)[C@]2(C)CCCC[NH2+]2)cc1)[C@@H]1CCCN(C)C1 ZINC000237182321 548806467 /nfs/dbraw/zinc/80/64/67/548806467.db2.gz GJWITAYBSWJLHG-NQIIRXRSSA-N 1 3 372.513 2.324 20 0 FEADHO [NH3+][C@H]1CC[C@@H](C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000237867307 548859642 /nfs/dbraw/zinc/85/96/42/548859642.db2.gz CREHKYSZWJOLDM-MOPGFXCFSA-N 1 3 359.514 2.301 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)[C@@H](C)C1 ZINC000245677011 548973416 /nfs/dbraw/zinc/97/34/16/548973416.db2.gz GBDAROBZIYVRJF-MANSERQUSA-N 1 3 368.566 2.248 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)[C@@H](C)C1 ZINC000245677011 548973420 /nfs/dbraw/zinc/97/34/20/548973420.db2.gz GBDAROBZIYVRJF-MANSERQUSA-N 1 3 368.566 2.248 20 0 FEADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)C[C@@H](C)C1 ZINC000488203136 561386054 /nfs/dbraw/zinc/38/60/54/561386054.db2.gz OWZJJIVLPUMAMA-IPMKNSEASA-N 1 3 350.551 2.480 20 0 FEADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000246113620 549055329 /nfs/dbraw/zinc/05/53/29/549055329.db2.gz HYBVLKBUQZNQGK-VQTJNVASSA-N 1 3 354.498 2.307 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000246311429 549101932 /nfs/dbraw/zinc/10/19/32/549101932.db2.gz MGSLHEUUHVIVTI-FUHWJXTLSA-N 1 3 362.518 2.109 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000246311429 549101934 /nfs/dbraw/zinc/10/19/34/549101934.db2.gz MGSLHEUUHVIVTI-FUHWJXTLSA-N 1 3 362.518 2.109 20 0 FEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000246468337 549140657 /nfs/dbraw/zinc/14/06/57/549140657.db2.gz VGKLNNYJGYRTOW-ZWKOTPCHSA-N 1 3 354.539 2.003 20 0 FEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000246468337 549140661 /nfs/dbraw/zinc/14/06/61/549140661.db2.gz VGKLNNYJGYRTOW-ZWKOTPCHSA-N 1 3 354.539 2.003 20 0 FEADHO CC[NH+]1CCC(CCNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000489342414 561408596 /nfs/dbraw/zinc/40/85/96/561408596.db2.gz XAUZJZCVDLPVGZ-YQVWRLOYSA-N 1 3 350.551 2.480 20 0 FEADHO NCCC[N@H+](CCC(=O)NC(=O)NCc1ccccc1)CC1CCCC1 ZINC000489802790 561419381 /nfs/dbraw/zinc/41/93/81/561419381.db2.gz RZMATYNLOMLGPK-UHFFFAOYSA-N 1 3 360.502 2.244 20 0 FEADHO NCCC[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)CC1CCCC1 ZINC000489802790 561419382 /nfs/dbraw/zinc/41/93/82/561419382.db2.gz RZMATYNLOMLGPK-UHFFFAOYSA-N 1 3 360.502 2.244 20 0 FEADHO [NH3+]CCCN(CCC(=O)NC(=O)NCc1ccccc1)CC1CCCC1 ZINC000489802790 561419383 /nfs/dbraw/zinc/41/93/83/561419383.db2.gz RZMATYNLOMLGPK-UHFFFAOYSA-N 1 3 360.502 2.244 20 0 FEADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)C[C@@H](C)C1 ZINC000489987903 561424101 /nfs/dbraw/zinc/42/41/01/561424101.db2.gz DUWHJDNXHJJPOS-RCCFBDPRSA-N 1 3 350.551 2.480 20 0 FEADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)C1CCOCC1 ZINC000261728984 549748722 /nfs/dbraw/zinc/74/87/22/549748722.db2.gz JUMJOJZXVUHZAR-UYAOXDASSA-N 1 3 359.514 2.111 20 0 FEADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)C1CCOCC1 ZINC000261728984 549748725 /nfs/dbraw/zinc/74/87/25/549748725.db2.gz JUMJOJZXVUHZAR-UYAOXDASSA-N 1 3 359.514 2.111 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCN(C)[C@H](C(C)C)C3)CC2)c1 ZINC000490308306 561430738 /nfs/dbraw/zinc/43/07/38/561430738.db2.gz ORODVIKDNBANPU-NRFANRHFSA-N 1 3 372.557 2.306 20 0 FEADHO Cc1cccc(N2CC[NH+](CCC(=O)N3CCN(C)[C@H](C(C)C)C3)CC2)c1 ZINC000490308306 561430739 /nfs/dbraw/zinc/43/07/39/561430739.db2.gz ORODVIKDNBANPU-NRFANRHFSA-N 1 3 372.557 2.306 20 0 FEADHO CN(C)CCOc1ccc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000262830688 549854070 /nfs/dbraw/zinc/85/40/70/549854070.db2.gz SAXGBADVEQXHTA-INIZCTEOSA-N 1 3 357.458 2.000 20 0 FEADHO CCN(C(=O)[C@@H]1CN2CCN1CCC2)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000490548274 561434952 /nfs/dbraw/zinc/43/49/52/561434952.db2.gz VERRLMBEOWATRY-GIVPXCGWSA-N 1 3 370.541 2.060 20 0 FEADHO CCN(C(=O)[C@@H]1CN2CCN1CCC2)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000490548274 561434953 /nfs/dbraw/zinc/43/49/53/561434953.db2.gz VERRLMBEOWATRY-GIVPXCGWSA-N 1 3 370.541 2.060 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+]Cc2cnc(-c3ccccc3OC)nc2)CC1 ZINC000490556736 561435157 /nfs/dbraw/zinc/43/51/57/561435157.db2.gz OKFDQWCCVIJMIW-QGZVFWFLSA-N 1 3 369.513 2.268 20 0 FEADHO C[C@H]1CN(CCOCCOc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490994956 561441557 /nfs/dbraw/zinc/44/15/57/561441557.db2.gz MSZQHEVSCBLQRC-FPOVZHCZSA-N 1 3 361.530 2.040 20 0 FEADHO C[C@H]1C[N@H+](CCOCCOc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490994956 561441558 /nfs/dbraw/zinc/44/15/58/561441558.db2.gz MSZQHEVSCBLQRC-FPOVZHCZSA-N 1 3 361.530 2.040 20 0 FEADHO C[C@H]1C[N@@H+](CCOCCOc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490994956 561441559 /nfs/dbraw/zinc/44/15/59/561441559.db2.gz MSZQHEVSCBLQRC-FPOVZHCZSA-N 1 3 361.530 2.040 20 0 FEADHO CC(C)[NH+]1CCC(O)(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000268443994 550066293 /nfs/dbraw/zinc/06/62/93/550066293.db2.gz SQISCJOTFYFKEZ-UHFFFAOYSA-N 1 3 372.469 2.130 20 0 FEADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000269072772 550151487 /nfs/dbraw/zinc/15/14/87/550151487.db2.gz XKEGUMJYIFRACE-INIZCTEOSA-N 1 3 358.486 2.106 20 0 FEADHO C[NH2+][C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000269131659 550159162 /nfs/dbraw/zinc/15/91/62/550159162.db2.gz OZJYLALCPGTQIR-WBVHZDCISA-N 1 3 355.404 2.261 20 0 FEADHO [NH3+]C1(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)CCCCC1 ZINC000269258961 550173461 /nfs/dbraw/zinc/17/34/61/550173461.db2.gz LOWNUYQQKDEQPS-UHFFFAOYSA-N 1 3 363.477 2.447 20 0 FEADHO [NH3+]CCCCCCC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000269261982 550173604 /nfs/dbraw/zinc/17/36/04/550173604.db2.gz NBOMSRMESMTRGG-FQEVSTJZSA-N 1 3 361.530 2.457 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)Cc1ccncc1 ZINC000493037244 561454284 /nfs/dbraw/zinc/45/42/84/561454284.db2.gz XSOCHLKQGRDGFO-PKOBYXMFSA-N 1 3 361.534 2.070 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)Cc1ccncc1 ZINC000493037244 561454285 /nfs/dbraw/zinc/45/42/85/561454285.db2.gz XSOCHLKQGRDGFO-PKOBYXMFSA-N 1 3 361.534 2.070 20 0 FEADHO CC(C)[N@H+](C)CCNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000493779208 561458245 /nfs/dbraw/zinc/45/82/45/561458245.db2.gz ACIJJUIGBKSWFA-UHFFFAOYSA-N 1 3 357.502 2.182 20 0 FEADHO CC(C)[N@@H+](C)CCNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000493779208 561458246 /nfs/dbraw/zinc/45/82/46/561458246.db2.gz ACIJJUIGBKSWFA-UHFFFAOYSA-N 1 3 357.502 2.182 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2c(=O)o1 ZINC000493957222 561459968 /nfs/dbraw/zinc/45/99/68/561459968.db2.gz GUBDKQDJOXVAIK-QGZVFWFLSA-N 1 3 371.481 2.281 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2c(=O)o1 ZINC000493957222 561459969 /nfs/dbraw/zinc/45/99/69/561459969.db2.gz GUBDKQDJOXVAIK-QGZVFWFLSA-N 1 3 371.481 2.281 20 0 FEADHO Cc1nc(Cl)ccc1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000270697228 550297695 /nfs/dbraw/zinc/29/76/95/550297695.db2.gz LHXDISDJOGTBRB-UHFFFAOYSA-N 1 3 364.921 2.261 20 0 FEADHO NC(=O)[C@H]1CCCN1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000272385869 550443296 /nfs/dbraw/zinc/44/32/96/550443296.db2.gz GCBVSHYLHBMFMY-PLACYPQZSA-N 1 3 370.541 2.111 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+]4CCC(CO)CC4)cc3)[C@@H]2C1 ZINC000272631404 550461977 /nfs/dbraw/zinc/46/19/77/550461977.db2.gz NFGVUSYFJMBRLJ-TZIWHRDSSA-N 1 3 371.525 2.057 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC[C@]3(C)CCC[NH2+]C3)CC2)c1 ZINC000273064207 550483234 /nfs/dbraw/zinc/48/32/34/550483234.db2.gz ZGUJKARVQKCBGH-OAQYLSRUSA-N 1 3 358.530 2.013 20 0 FEADHO C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277016217 550622360 /nfs/dbraw/zinc/62/23/60/550622360.db2.gz AAJUKCUVHSXGLY-GIVPXCGWSA-N 1 3 372.557 2.182 20 0 FEADHO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC1 ZINC000277104763 550632475 /nfs/dbraw/zinc/63/24/75/550632475.db2.gz CWGIXRINGZOUSO-OAQYLSRUSA-N 1 3 373.541 2.447 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000494874071 561478355 /nfs/dbraw/zinc/47/83/55/561478355.db2.gz NEQMSLBXLODEDS-BZSNNMDCSA-N 1 3 366.550 2.144 20 0 FEADHO CC1(C)NC(=O)CC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000494907124 561479030 /nfs/dbraw/zinc/47/90/30/561479030.db2.gz IDVOPFQTTHLAHT-LJQANCHMSA-N 1 3 358.530 2.236 20 0 FEADHO CC1(C)NC(=O)CC[C@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000494923803 561479384 /nfs/dbraw/zinc/47/93/84/561479384.db2.gz OEFUGZWESNILMN-HXUWFJFHSA-N 1 3 372.557 2.231 20 0 FEADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000278742758 550816914 /nfs/dbraw/zinc/81/69/14/550816914.db2.gz WSEGYLGHXYLANS-CVEARBPZSA-N 1 3 369.531 2.210 20 0 FEADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000278742758 550816915 /nfs/dbraw/zinc/81/69/15/550816915.db2.gz WSEGYLGHXYLANS-CVEARBPZSA-N 1 3 369.531 2.210 20 0 FEADHO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000280618481 551013981 /nfs/dbraw/zinc/01/39/81/551013981.db2.gz QACCOGLINGZSAQ-QGZVFWFLSA-N 1 3 361.530 2.351 20 0 FEADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)[C@H]1C ZINC000280899319 551043787 /nfs/dbraw/zinc/04/37/87/551043787.db2.gz OHUJCTZGLBCHCK-CMKODMSKSA-N 1 3 374.529 2.161 20 0 FEADHO CN1CCN(CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC000281874085 551151613 /nfs/dbraw/zinc/15/16/13/551151613.db2.gz WNXXNLRGGPRNCE-UHFFFAOYSA-N 1 3 372.557 2.041 20 0 FEADHO CN1CCN(CC[NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1(C)C ZINC000282473128 551233805 /nfs/dbraw/zinc/23/38/05/551233805.db2.gz UVNAUEDDFBUGBH-UHFFFAOYSA-N 1 3 355.486 2.385 20 0 FEADHO COc1cc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC000282484043 551235499 /nfs/dbraw/zinc/23/54/99/551235499.db2.gz XBNRKVUDLGGZAE-HNNXBMFYSA-N 1 3 365.518 2.389 20 0 FEADHO OCCOC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCOCC1 ZINC000282707042 551261946 /nfs/dbraw/zinc/26/19/46/551261946.db2.gz LFYIGKNXMBGAIC-QHAWAJNXSA-N 1 3 374.525 2.045 20 0 FEADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000498077982 561515665 /nfs/dbraw/zinc/51/56/65/561515665.db2.gz RXSQEFHKJKEAHL-KBXCAEBGSA-N 1 3 351.466 2.159 20 0 FEADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000286638139 551909008 /nfs/dbraw/zinc/90/90/08/551909008.db2.gz NQFRHONZXPTWRP-PKOBYXMFSA-N 1 3 374.529 2.395 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000287583758 552021872 /nfs/dbraw/zinc/02/18/72/552021872.db2.gz HODWHHMVWPDDRV-CVEARBPZSA-N 1 3 373.419 2.178 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000287712486 552037188 /nfs/dbraw/zinc/03/71/88/552037188.db2.gz VBFGHDOEASKSAH-BEFAXECRSA-N 1 3 360.502 2.081 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000287712486 552037190 /nfs/dbraw/zinc/03/71/90/552037190.db2.gz VBFGHDOEASKSAH-BEFAXECRSA-N 1 3 360.502 2.081 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000288152411 552100610 /nfs/dbraw/zinc/10/06/10/552100610.db2.gz MGLCJWPUUZLXEP-VQIMIIECSA-N 1 3 372.513 2.080 20 0 FEADHO Cc1ccc(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c(OCCN(C)C)c1 ZINC000293382891 552817852 /nfs/dbraw/zinc/81/78/52/552817852.db2.gz PVOZIDKHAGQFQD-HXUWFJFHSA-N 1 3 360.502 2.495 20 0 FEADHO Cc1ccc(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c(OCCN(C)C)c1 ZINC000293382891 552817853 /nfs/dbraw/zinc/81/78/53/552817853.db2.gz PVOZIDKHAGQFQD-HXUWFJFHSA-N 1 3 360.502 2.495 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)CC2)c1 ZINC000293951751 552870348 /nfs/dbraw/zinc/87/03/48/552870348.db2.gz SHQBMTZNWBSVQC-JOCHJYFZSA-N 1 3 370.541 2.061 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)CC2)c1 ZINC000293951751 552870349 /nfs/dbraw/zinc/87/03/49/552870349.db2.gz SHQBMTZNWBSVQC-JOCHJYFZSA-N 1 3 370.541 2.061 20 0 FEADHO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(CN3CC[C@H](C)[C@H]3CO)c2)[C@@H]1CO ZINC000295854387 553068217 /nfs/dbraw/zinc/06/82/17/553068217.db2.gz BLMQHANBYAGFLR-HRYATBACSA-N 1 3 350.478 2.231 20 0 FEADHO C[C@@H]1CC[N@H+](Cc2ccc(F)c(CN3CC[C@H](C)[C@H]3CO)c2)[C@@H]1CO ZINC000295854387 553068218 /nfs/dbraw/zinc/06/82/18/553068218.db2.gz BLMQHANBYAGFLR-HRYATBACSA-N 1 3 350.478 2.231 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297287460 553273819 /nfs/dbraw/zinc/27/38/19/553273819.db2.gz HCLNDHMRPNRUPA-IBGZPJMESA-N 1 3 358.530 2.475 20 0 FEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000503243369 561637829 /nfs/dbraw/zinc/63/78/29/561637829.db2.gz CQZLSLVBWKIHBO-LJQANCHMSA-N 1 3 352.567 2.170 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)CC(=O)NC)cc1OC ZINC000298685586 553458623 /nfs/dbraw/zinc/45/86/23/553458623.db2.gz ICCIZRABXDBADS-HNNXBMFYSA-N 1 3 351.491 2.030 20 0 FEADHO C[NH+](C)CC1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000504971233 561664786 /nfs/dbraw/zinc/66/47/86/561664786.db2.gz OXAAMBVWZSCKKP-UHFFFAOYSA-N 1 3 368.591 2.331 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1c(C)nn(C)c1C ZINC000505800116 561681154 /nfs/dbraw/zinc/68/11/54/561681154.db2.gz AHTWEDRJACBELZ-QAPCUYQASA-N 1 3 363.550 2.015 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1c(C)nn(C)c1C ZINC000505800116 561681156 /nfs/dbraw/zinc/68/11/56/561681156.db2.gz AHTWEDRJACBELZ-QAPCUYQASA-N 1 3 363.550 2.015 20 0 FEADHO CCC[C@@H]1C[C@@H](C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)CCO1 ZINC000506176851 561692522 /nfs/dbraw/zinc/69/25/22/561692522.db2.gz YTGZLDGILYLUTP-GBESFXJTSA-N 1 3 353.551 2.456 20 0 FEADHO CCC[C@@H]1C[C@@H](C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)CCO1 ZINC000506176851 561692524 /nfs/dbraw/zinc/69/25/24/561692524.db2.gz YTGZLDGILYLUTP-GBESFXJTSA-N 1 3 353.551 2.456 20 0 FEADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000530895201 562427778 /nfs/dbraw/zinc/42/77/78/562427778.db2.gz RUSILNKGNLCEDB-GOSISDBHSA-N 1 3 356.580 2.186 20 0 FEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000530895201 562427779 /nfs/dbraw/zinc/42/77/79/562427779.db2.gz RUSILNKGNLCEDB-GOSISDBHSA-N 1 3 356.580 2.186 20 0 FEADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000333014237 554558790 /nfs/dbraw/zinc/55/87/90/554558790.db2.gz BTQSSMCVJXOJFT-LEWJYISDSA-N 1 3 358.530 2.408 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCNCC[C@@H]3C)CC2)cc1 ZINC000333242275 554593534 /nfs/dbraw/zinc/59/35/34/554593534.db2.gz FDFJHUSGBPGECY-QFBILLFUSA-N 1 3 365.543 2.126 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CN1Cc1ccccc1 ZINC000333356690 554605751 /nfs/dbraw/zinc/60/57/51/554605751.db2.gz KKHXXLSZCZRIJR-HTDHLNIYSA-N 1 3 356.514 2.418 20 0 FEADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000333437425 554613235 /nfs/dbraw/zinc/61/32/35/554613235.db2.gz VOKDDYRAJBCINV-CVEARBPZSA-N 1 3 354.564 2.165 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333474511 554616535 /nfs/dbraw/zinc/61/65/35/554616535.db2.gz ATDXFPRKXNHETK-UHFFFAOYSA-N 1 3 371.529 2.473 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C[C@@H]21 ZINC000333940334 554658315 /nfs/dbraw/zinc/65/83/15/554658315.db2.gz NYZRCNYQHREPFN-YSTOQKLRSA-N 1 3 356.514 2.420 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)[C@@H](C)C1 ZINC000510985782 561853075 /nfs/dbraw/zinc/85/30/75/561853075.db2.gz SKVTVKFNNGYDSE-DOTOQJQBSA-N 1 3 361.486 2.244 20 0 FEADHO CC(C)OCCN1CCC([NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000361240134 554911920 /nfs/dbraw/zinc/91/19/20/554911920.db2.gz DSRRCADYWLOESG-HMXCVIKNSA-N 1 3 367.578 2.355 20 0 FEADHO CCN1CCN(c2ccccc2C[NH+]2CCC(CNC(C)=O)CC2)CC1 ZINC000511650841 561876360 /nfs/dbraw/zinc/87/63/60/561876360.db2.gz YRIYYMXZNHVSDE-UHFFFAOYSA-N 1 3 358.530 2.177 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H](O)COc1ccc(F)cc1 ZINC000362802832 554989718 /nfs/dbraw/zinc/98/97/18/554989718.db2.gz QBUVFCTWKHHRGE-BEKAIBRUSA-N 1 3 366.477 2.044 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H](O)COc1ccc(F)cc1 ZINC000362802832 554989719 /nfs/dbraw/zinc/98/97/19/554989719.db2.gz QBUVFCTWKHHRGE-BEKAIBRUSA-N 1 3 366.477 2.044 20 0 FEADHO CCCN1CCN(C2CCN(C(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000363397173 555094852 /nfs/dbraw/zinc/09/48/52/555094852.db2.gz HEJQFJYHDBICHB-QRVBRYPASA-N 1 3 364.578 2.266 20 0 FEADHO CC1CCN(CCNC(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000363464856 555112317 /nfs/dbraw/zinc/11/23/17/555112317.db2.gz TYLAMXVSXHTKMB-UHFFFAOYSA-N 1 3 359.518 2.424 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)C2CCN(c3ccncc3)CC2)C1 ZINC000363465114 555112470 /nfs/dbraw/zinc/11/24/70/555112470.db2.gz XLXFKMOBGNNNRO-KRWDZBQOSA-N 1 3 359.518 2.424 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(C)C2CCN(c3ccncc3)CC2)C1 ZINC000363465114 555112472 /nfs/dbraw/zinc/11/24/72/555112472.db2.gz XLXFKMOBGNNNRO-KRWDZBQOSA-N 1 3 359.518 2.424 20 0 FEADHO Cc1nc(-c2ccncc2)nc(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000363537294 555131486 /nfs/dbraw/zinc/13/14/86/555131486.db2.gz WQTNJEFMGQIYEE-SFHVURJKSA-N 1 3 366.513 2.158 20 0 FEADHO C[C@H](O)C[C@@H]1CCCCCN1CC(O)C[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512443992 561905288 /nfs/dbraw/zinc/90/52/88/561905288.db2.gz JMTPVKHASZDGRX-MUGJNUQGSA-N 1 3 370.578 2.378 20 0 FEADHO C[C@H](O)C[C@@H]1CCCCCN1CC(O)C[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512443992 561905290 /nfs/dbraw/zinc/90/52/90/561905290.db2.gz JMTPVKHASZDGRX-MUGJNUQGSA-N 1 3 370.578 2.378 20 0 FEADHO C[C@H](O)C[C@H]1CCCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000512477810 561906742 /nfs/dbraw/zinc/90/67/42/561906742.db2.gz ABDZDZIKNUUAKJ-DFQSSKMNSA-N 1 3 361.530 2.421 20 0 FEADHO CCCN(CCN1CCCCC1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000513169026 561927859 /nfs/dbraw/zinc/92/78/59/561927859.db2.gz YYKPOXSXYOMFFU-UHFFFAOYSA-N 1 3 352.567 2.173 20 0 FEADHO COC1(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)CCOCC1 ZINC000365436314 555575455 /nfs/dbraw/zinc/57/54/55/555575455.db2.gz ZBRNFGWCOISCSJ-ROUUACIJSA-N 1 3 354.535 2.393 20 0 FEADHO O=C(NC[C@@H]1CCCN(CCCOc2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000513205631 561929379 /nfs/dbraw/zinc/92/93/79/561929379.db2.gz FBXYWAZBCAITBU-LPHOPBHVSA-N 1 3 363.477 2.175 20 0 FEADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000366190588 555776388 /nfs/dbraw/zinc/77/63/88/555776388.db2.gz HQGAPCTWUGKCHR-NRFANRHFSA-N 1 3 371.525 2.268 20 0 FEADHO COc1cccc([C@@H](CNC(=O)N[C@H](C)CC[NH+](C)C)N2CCCC2)c1 ZINC000514194193 561962943 /nfs/dbraw/zinc/96/29/43/561962943.db2.gz WUMYLSAOYMTFCO-VQIMIIECSA-N 1 3 362.518 2.472 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366835977 555946915 /nfs/dbraw/zinc/94/69/15/555946915.db2.gz CLZDXXKKRPKDIH-UHFFFAOYSA-N 1 3 374.529 2.443 20 0 FEADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000366946081 555978899 /nfs/dbraw/zinc/97/88/99/555978899.db2.gz RCOOCCUVBRXLNL-NJAFHUGGSA-N 1 3 351.441 2.196 20 0 FEADHO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1 ZINC000367482805 556062613 /nfs/dbraw/zinc/06/26/13/556062613.db2.gz IBFTTYDWRYNOIB-CGTJXYLNSA-N 1 3 360.502 2.282 20 0 FEADHO CN1CCC[C@H](CNC(=O)C2C[NH2+]C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000367823561 556147899 /nfs/dbraw/zinc/14/78/99/556147899.db2.gz VGLGFLDKCPEBTR-CJNGLKHVSA-N 1 3 355.404 2.424 20 0 FEADHO CN(c1ccccc1CN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000368964469 556460852 /nfs/dbraw/zinc/46/08/52/556460852.db2.gz OWKQVNFLIAQXJU-LDQXTDLNSA-N 1 3 370.541 2.303 20 0 FEADHO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@H]1C ZINC000369874663 556718786 /nfs/dbraw/zinc/71/87/86/556718786.db2.gz QKANRPUBLWUJKR-VQIMIIECSA-N 1 3 359.514 2.458 20 0 FEADHO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@H]1C ZINC000369874663 556718790 /nfs/dbraw/zinc/71/87/90/556718790.db2.gz QKANRPUBLWUJKR-VQIMIIECSA-N 1 3 359.514 2.458 20 0 FEADHO CN1CC[C@@H](CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@@H]1c1cccnc1 ZINC000369891328 556722741 /nfs/dbraw/zinc/72/27/41/556722741.db2.gz DELACSXVLZYPGQ-RDGPPVDQSA-N 1 3 359.518 2.246 20 0 FEADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000370090746 556777793 /nfs/dbraw/zinc/77/77/93/556777793.db2.gz SIBOCUCQUNQAED-MOPGFXCFSA-N 1 3 364.578 2.031 20 0 FEADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000370090746 556777798 /nfs/dbraw/zinc/77/77/98/556777798.db2.gz SIBOCUCQUNQAED-MOPGFXCFSA-N 1 3 364.578 2.031 20 0 FEADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000370126643 556787602 /nfs/dbraw/zinc/78/76/02/556787602.db2.gz QQEWNVFZZXZQHJ-BCYZHJNNSA-N 1 3 366.550 2.048 20 0 FEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000370133071 556789738 /nfs/dbraw/zinc/78/97/38/556789738.db2.gz YTJAIUWSACGGJG-VQTJNVASSA-N 1 3 373.545 2.261 20 0 FEADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCN2CCC1CC2 ZINC000370536449 556902459 /nfs/dbraw/zinc/90/24/59/556902459.db2.gz SUHCVFXMZYHLJH-UHFFFAOYSA-N 1 3 356.514 2.388 20 0 FEADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cccc(N2CCOC2=O)c1 ZINC000370635625 556926846 /nfs/dbraw/zinc/92/68/46/556926846.db2.gz PPYMZJVJYNOMIL-SJLPKXTDSA-N 1 3 372.513 2.462 20 0 FEADHO CCN1CCCC[C@@H]1C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371095845 557074063 /nfs/dbraw/zinc/07/40/63/557074063.db2.gz XUEBGMFAPKFCAE-HXUWFJFHSA-N 1 3 364.578 2.173 20 0 FEADHO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(CCC(=O)N2CCOCC2)CC1 ZINC000371101950 557075512 /nfs/dbraw/zinc/07/55/12/557075512.db2.gz XODSHCDPWTYZBZ-HXUWFJFHSA-N 1 3 359.514 2.222 20 0 FEADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(CCC(=O)N2CCOCC2)CC1 ZINC000371101950 557075517 /nfs/dbraw/zinc/07/55/17/557075517.db2.gz XODSHCDPWTYZBZ-HXUWFJFHSA-N 1 3 359.514 2.222 20 0 FEADHO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](CCC(=O)N2CCOCC2)CC1 ZINC000371101950 557075521 /nfs/dbraw/zinc/07/55/21/557075521.db2.gz XODSHCDPWTYZBZ-HXUWFJFHSA-N 1 3 359.514 2.222 20 0 FEADHO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)CC1 ZINC000371101950 557075525 /nfs/dbraw/zinc/07/55/25/557075525.db2.gz XODSHCDPWTYZBZ-HXUWFJFHSA-N 1 3 359.514 2.222 20 0 FEADHO CC(C)N1CC[C@H](N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1=O ZINC000371155929 557091319 /nfs/dbraw/zinc/09/13/19/557091319.db2.gz IZYIFFRSSCVIIW-FQEVSTJZSA-N 1 3 364.578 2.124 20 0 FEADHO CC(C)N1CCN(C2CCN(C(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000371349087 557155343 /nfs/dbraw/zinc/15/53/43/557155343.db2.gz FPHBDRGOUZCDMK-QRVBRYPASA-N 1 3 364.578 2.265 20 0 FEADHO CN1CC[NH+](CC2(C)CCN(Cc3ccc(-n4ccnc4)nc3)CC2)CC1 ZINC000371834113 557306805 /nfs/dbraw/zinc/30/68/05/557306805.db2.gz HIGKCHCOOQNBED-UHFFFAOYSA-N 1 3 368.529 2.117 20 0 FEADHO C[N@@H+]1CC[C@@H](CNC(=O)C2(N)Cc3ccccc3C2)[C@H]1c1cccs1 ZINC000372099276 557379924 /nfs/dbraw/zinc/37/99/24/557379924.db2.gz SOMSFGMPDXACKS-WMZOPIPTSA-N 1 3 355.507 2.353 20 0 FEADHO C[N@H+]1CC[C@@H](CNC(=O)C2(N)Cc3ccccc3C2)[C@H]1c1cccs1 ZINC000372099276 557379925 /nfs/dbraw/zinc/37/99/25/557379925.db2.gz SOMSFGMPDXACKS-WMZOPIPTSA-N 1 3 355.507 2.353 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H]4CC[N@H+](C)[C@@H]4C3)c2)CC1 ZINC000372160390 557396073 /nfs/dbraw/zinc/39/60/73/557396073.db2.gz LSMZDFNGXFJMEQ-FXAWDEMLSA-N 1 3 371.529 2.386 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H]4CC[N@@H+](C)[C@@H]4C3)c2)CC1 ZINC000372160390 557396078 /nfs/dbraw/zinc/39/60/78/557396078.db2.gz LSMZDFNGXFJMEQ-FXAWDEMLSA-N 1 3 371.529 2.386 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CCO)c3ccco3)CC2)CC1 ZINC000518998914 562123112 /nfs/dbraw/zinc/12/31/12/562123112.db2.gz QNTCHLPOBMCCQJ-SFHVURJKSA-N 1 3 363.502 2.016 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000519181751 562126688 /nfs/dbraw/zinc/12/66/88/562126688.db2.gz PJDCTNIAIJFDIR-VBNZEHGJSA-N 1 3 371.319 2.468 20 0 FEADHO CN1CC[C@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)[C@H]1c1cccs1 ZINC000372823467 557570091 /nfs/dbraw/zinc/57/00/91/557570091.db2.gz IQVUQFGJXBWTHJ-VKJFTORMSA-N 1 3 373.526 2.292 20 0 FEADHO CO[C@@H](C[NH3+])CC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000519715098 562141113 /nfs/dbraw/zinc/14/11/13/562141113.db2.gz WZHPJCOCLAZCGS-LJQANCHMSA-N 1 3 355.482 2.395 20 0 FEADHO [NH3+]Cc1cn([C@H]2CCCN(Cc3c[nH]nc3-c3ccc(F)cc3)C2)nn1 ZINC000519587601 562136045 /nfs/dbraw/zinc/13/60/45/562136045.db2.gz FCYIKWYGBQBOKR-KRWDZBQOSA-N 1 3 355.421 2.103 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCCO1 ZINC000373038682 557614632 /nfs/dbraw/zinc/61/46/32/557614632.db2.gz VYQYVICNECMRGY-RBUKOAKNSA-N 1 3 366.550 2.147 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)C[C@@H](C)O1 ZINC000373321429 557671970 /nfs/dbraw/zinc/67/19/70/557671970.db2.gz SGNIGIQYGNXLTQ-IAGOWNOFSA-N 1 3 363.546 2.209 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[NH2+][C@@H](C)C3)c(C)c2)CC1 ZINC000520197436 562150338 /nfs/dbraw/zinc/15/03/38/562150338.db2.gz TWIYBDWRZIKGLM-IRXDYDNUSA-N 1 3 359.518 2.399 20 0 FEADHO CCN(CC)[C@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1ccccc1 ZINC000373346967 557676973 /nfs/dbraw/zinc/67/69/73/557676973.db2.gz SKMTVWBOVUQKKQ-XVLXNVKGSA-N 1 3 357.498 2.000 20 0 FEADHO O[C@H](Cn1cccn1)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374064298 557816435 /nfs/dbraw/zinc/81/64/35/557816435.db2.gz IZWIOHWTOALYJS-SFTDATJTSA-N 1 3 354.498 2.232 20 0 FEADHO O[C@H](Cn1cccn1)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374064298 557816436 /nfs/dbraw/zinc/81/64/36/557816436.db2.gz IZWIOHWTOALYJS-SFTDATJTSA-N 1 3 354.498 2.232 20 0 FEADHO O[C@@H](Cn1cccn1)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374064295 557816771 /nfs/dbraw/zinc/81/67/71/557816771.db2.gz IZWIOHWTOALYJS-NHCUHLMSSA-N 1 3 354.498 2.232 20 0 FEADHO O[C@@H](Cn1cccn1)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374064295 557816775 /nfs/dbraw/zinc/81/67/75/557816775.db2.gz IZWIOHWTOALYJS-NHCUHLMSSA-N 1 3 354.498 2.232 20 0 FEADHO CN(c1ccccc1CN[C@H]1CC(=O)N2CCCC[C@H]12)C1CC[NH+](C)CC1 ZINC000374592898 557903991 /nfs/dbraw/zinc/90/39/91/557903991.db2.gz LDUNRDXFQCCTNC-PZJWPPBQSA-N 1 3 370.541 2.460 20 0 FEADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000375130092 557981474 /nfs/dbraw/zinc/98/14/74/557981474.db2.gz YLRJONGQXIIMJP-KURKYZTESA-N 1 3 351.535 2.291 20 0 FEADHO C[C@@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000375448977 558029332 /nfs/dbraw/zinc/02/93/32/558029332.db2.gz NNKGYDVJFKUWEI-RSPOEFSDSA-N 1 3 359.514 2.343 20 0 FEADHO CC(C)N1CCN(CCC[NH+]2CCC(CO)(Nc3ccccc3)CC2)CC1 ZINC000375601047 558055157 /nfs/dbraw/zinc/05/51/57/558055157.db2.gz WRNVLVWKOBLQOA-UHFFFAOYSA-N 1 3 374.573 2.342 20 0 FEADHO C[C@@H]1[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)CCN1Cc1ccccc1 ZINC000376761675 558218368 /nfs/dbraw/zinc/21/83/68/558218368.db2.gz VZDJEGNVJHMSDE-IEBWSBKVSA-N 1 3 374.529 2.059 20 0 FEADHO Cn1cc(-c2ccc(C[NH2+][C@H]3CCN(C4CCN(C)CC4)C3)s2)cn1 ZINC000377111267 558268593 /nfs/dbraw/zinc/26/85/93/558268593.db2.gz AEIPUNZYNYXLLF-INIZCTEOSA-N 1 3 359.543 2.407 20 0 FEADHO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]C2CCN(C3CCCC3)CC2)[C@H](O)C1 ZINC000377112915 558268879 /nfs/dbraw/zinc/26/88/79/558268879.db2.gz HXBXZBJEBBTNJN-CRAIPNDOSA-N 1 3 367.534 2.211 20 0 FEADHO CC(C)(C)OC(=O)N1C[C@@H](CNC2CC[NH+](C3CCCC3)CC2)[C@H](O)C1 ZINC000377112915 558268882 /nfs/dbraw/zinc/26/88/82/558268882.db2.gz HXBXZBJEBBTNJN-CRAIPNDOSA-N 1 3 367.534 2.211 20 0 FEADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@H]1CCN(C2CC2)C1 ZINC000522285060 562196064 /nfs/dbraw/zinc/19/60/64/562196064.db2.gz RSSDKXKDHROZOL-INIZCTEOSA-N 1 3 362.543 2.496 20 0 FEADHO C[NH+](C)CCOc1cnccc1CNC1CCN(c2nccs2)CC1 ZINC000377564224 558365574 /nfs/dbraw/zinc/36/55/74/558365574.db2.gz OXQYUBJRRFPGCV-UHFFFAOYSA-N 1 3 361.515 2.237 20 0 FEADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000378091659 558478839 /nfs/dbraw/zinc/47/88/39/558478839.db2.gz MPODZASBIUSUCX-IMFGXOCKSA-N 1 3 371.529 2.076 20 0 FEADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000378091659 558478841 /nfs/dbraw/zinc/47/88/41/558478841.db2.gz MPODZASBIUSUCX-IMFGXOCKSA-N 1 3 371.529 2.076 20 0 FEADHO CN([C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000378295381 558522553 /nfs/dbraw/zinc/52/25/53/558522553.db2.gz PKJSWRIAUWJVAI-YLJYHZDGSA-N 1 3 374.504 2.031 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)CC1 ZINC000378529196 558576048 /nfs/dbraw/zinc/57/60/48/558576048.db2.gz MRNQZWSCWACVHL-OALUTQOASA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000389879160 558610043 /nfs/dbraw/zinc/61/00/43/558610043.db2.gz NGKWQLDFTFXFMN-DRASZATQSA-N 1 3 371.525 2.156 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000389879160 558610046 /nfs/dbraw/zinc/61/00/46/558610046.db2.gz NGKWQLDFTFXFMN-DRASZATQSA-N 1 3 371.525 2.156 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000398025169 558625563 /nfs/dbraw/zinc/62/55/63/558625563.db2.gz DPMNAAAVQMQBST-SUQDKLLUSA-N 1 3 371.525 2.298 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000398025169 558625564 /nfs/dbraw/zinc/62/55/64/558625564.db2.gz DPMNAAAVQMQBST-SUQDKLLUSA-N 1 3 371.525 2.298 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000524627295 562231232 /nfs/dbraw/zinc/23/12/32/562231232.db2.gz VIJCGAQJULKOMN-MOPGFXCFSA-N 1 3 362.518 2.042 20 0 FEADHO Cc1cc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)ccc1C[NH+](C)C ZINC000411180267 558849553 /nfs/dbraw/zinc/84/95/53/558849553.db2.gz DBRWRJDLIOXCMP-NVXWUHKLSA-N 1 3 374.529 2.232 20 0 FEADHO CN(CCC(=O)NCC1CCCCC1)CC[N@H+](C)C1CCN(C)CC1 ZINC000411410538 558889944 /nfs/dbraw/zinc/88/99/44/558889944.db2.gz SQNIFXKIHLSOBB-UHFFFAOYSA-N 1 3 352.567 2.031 20 0 FEADHO CN(CCC(=O)NCC1CCCCC1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000411410538 558889945 /nfs/dbraw/zinc/88/99/45/558889945.db2.gz SQNIFXKIHLSOBB-UHFFFAOYSA-N 1 3 352.567 2.031 20 0 FEADHO COC(=O)[C@@H]1CN(C)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411912789 558986999 /nfs/dbraw/zinc/98/69/99/558986999.db2.gz IPMWWAQBDRARGX-HXUWFJFHSA-N 1 3 359.514 2.209 20 0 FEADHO COC1([C@@H](C)NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCC1 ZINC000412018775 559002752 /nfs/dbraw/zinc/00/27/52/559002752.db2.gz CGEPTJKMFBIGBC-QGZVFWFLSA-N 1 3 359.514 2.446 20 0 FEADHO COC(=O)[C@]1(C)CCC[N@@H+](CC[C@H](C)N2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412059138 559008160 /nfs/dbraw/zinc/00/81/60/559008160.db2.gz BPYXGLQNGQMBKM-DBVUQKKJSA-N 1 3 368.518 2.315 20 0 FEADHO COC(=O)[C@]1(C)CCC[N@H+](CC[C@H](C)N2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412059138 559008162 /nfs/dbraw/zinc/00/81/62/559008162.db2.gz BPYXGLQNGQMBKM-DBVUQKKJSA-N 1 3 368.518 2.315 20 0 FEADHO O=C(N[C@H]1CCCN(CCCO)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412374131 559031879 /nfs/dbraw/zinc/03/18/79/559031879.db2.gz NLEZZKAPWAGYCJ-FQEVSTJZSA-N 1 3 359.514 2.249 20 0 FEADHO CCN1CC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000413869915 559136293 /nfs/dbraw/zinc/13/62/93/559136293.db2.gz ZGEPAXYKTSDKNC-ZCNNSNEGSA-N 1 3 356.514 2.244 20 0 FEADHO CCN1CC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000413869915 559136296 /nfs/dbraw/zinc/13/62/96/559136296.db2.gz ZGEPAXYKTSDKNC-ZCNNSNEGSA-N 1 3 356.514 2.244 20 0 FEADHO CCO[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1(CC)CC ZINC000414182730 559151772 /nfs/dbraw/zinc/15/17/72/559151772.db2.gz DHWXBBOPSFZADW-OALUTQOASA-N 1 3 367.578 2.356 20 0 FEADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000414179640 559151785 /nfs/dbraw/zinc/15/17/85/559151785.db2.gz LKLFVXAPFZCGMO-CVEARBPZSA-N 1 3 353.532 2.319 20 0 FEADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000414179640 559151786 /nfs/dbraw/zinc/15/17/86/559151786.db2.gz LKLFVXAPFZCGMO-CVEARBPZSA-N 1 3 353.532 2.319 20 0 FEADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414202202 559152666 /nfs/dbraw/zinc/15/26/66/559152666.db2.gz UGTAVCMPBWEAFR-UZLBHIALSA-N 1 3 361.505 2.445 20 0 FEADHO CN1CCC(C[NH2+]CCc2ccc(Cl)cc2)(N2CCOCC2)CC1 ZINC000414488446 559168217 /nfs/dbraw/zinc/16/82/17/559168217.db2.gz UDGCHSRUGLGZAQ-UHFFFAOYSA-N 1 3 351.922 2.269 20 0 FEADHO COC1(C[NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCCC1 ZINC000414553698 559171194 /nfs/dbraw/zinc/17/11/94/559171194.db2.gz JHUXDPSCHXBAGC-UHFFFAOYSA-N 1 3 359.514 2.433 20 0 FEADHO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414712812 559181544 /nfs/dbraw/zinc/18/15/44/559181544.db2.gz VHPQGOWFGSAVJI-KRWDZBQOSA-N 1 3 369.513 2.138 20 0 FEADHO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414712812 559181545 /nfs/dbraw/zinc/18/15/45/559181545.db2.gz VHPQGOWFGSAVJI-KRWDZBQOSA-N 1 3 369.513 2.138 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1 ZINC000414740013 559183863 /nfs/dbraw/zinc/18/38/63/559183863.db2.gz CWEBCOYKMYUNLO-QKPAOTATSA-N 1 3 360.502 2.127 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC(C)(C)N2CCC[C@H](C)C2)c1 ZINC000414741875 559184029 /nfs/dbraw/zinc/18/40/29/559184029.db2.gz LEXRJHJUORJDBA-INIZCTEOSA-N 1 3 374.529 2.361 20 0 FEADHO Cc1ccc(C)c(OC2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)c1 ZINC000414750508 559184720 /nfs/dbraw/zinc/18/47/20/559184720.db2.gz RHFPVNXJAPMTFG-GOSISDBHSA-N 1 3 359.514 2.344 20 0 FEADHO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414753360 559184901 /nfs/dbraw/zinc/18/49/01/559184901.db2.gz MDFLRYNDMDEJNJ-ZDUSSCGKSA-N 1 3 372.282 2.217 20 0 FEADHO C[N@H+](Cc1ccc(Br)c(F)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414753360 559184902 /nfs/dbraw/zinc/18/49/02/559184902.db2.gz MDFLRYNDMDEJNJ-ZDUSSCGKSA-N 1 3 372.282 2.217 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000414824921 559189588 /nfs/dbraw/zinc/18/95/88/559189588.db2.gz GIBNJLRHLQUIGN-CABCVRRESA-N 1 3 358.486 2.341 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@H]1CCCNC1 ZINC000414824921 559189590 /nfs/dbraw/zinc/18/95/90/559189590.db2.gz GIBNJLRHLQUIGN-CABCVRRESA-N 1 3 358.486 2.341 20 0 FEADHO COCC1(CNCc2cc(O)c(OC)cc2Br)CC[NH2+]CC1 ZINC000414968301 559197507 /nfs/dbraw/zinc/19/75/07/559197507.db2.gz DWUHOPAGOWMSQI-UHFFFAOYSA-N 1 3 373.291 2.269 20 0 FEADHO COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c(Cl)c1 ZINC000414980993 559198620 /nfs/dbraw/zinc/19/86/20/559198620.db2.gz AYVGYGZBBCOQLE-AEFFLSMTSA-N 1 3 351.878 2.085 20 0 FEADHO C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@H](C)CN1 ZINC000415064853 559203217 /nfs/dbraw/zinc/20/32/17/559203217.db2.gz DXJYXYBYPPKPPL-HZPDHXFCSA-N 1 3 362.543 2.492 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)C1 ZINC000415083652 559204453 /nfs/dbraw/zinc/20/44/53/559204453.db2.gz OANJUOUFZRKRME-HZPDHXFCSA-N 1 3 364.921 2.096 20 0 FEADHO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415094386 559204894 /nfs/dbraw/zinc/20/48/94/559204894.db2.gz XAOGUEGVCKWRJT-GLJUWKHASA-N 1 3 353.894 2.203 20 0 FEADHO COc1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc2c1OCCO2 ZINC000415122428 559206391 /nfs/dbraw/zinc/20/63/91/559206391.db2.gz JZTPHLKYRNOYGV-IAGOWNOFSA-N 1 3 362.470 2.185 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000415681156 559261302 /nfs/dbraw/zinc/26/13/02/559261302.db2.gz VZEQWEDTFJJEFL-GOSISDBHSA-N 1 3 374.529 2.361 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415800889 559272539 /nfs/dbraw/zinc/27/25/39/559272539.db2.gz DVAFOCLPGBAPQW-WBVHZDCISA-N 1 3 360.502 2.101 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](CN)C2CCCC2)cc1 ZINC000415824731 559275543 /nfs/dbraw/zinc/27/55/43/559275543.db2.gz WTNXCIIDKDOTTI-SFHVURJKSA-N 1 3 360.502 2.101 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc3c(c2F)CCNC3)CCCO1 ZINC000415965591 559285411 /nfs/dbraw/zinc/28/54/11/559285411.db2.gz AMJTZNQYHXVXLP-CQSZACIVSA-N 1 3 364.465 2.094 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc3c(c2F)CCNC3)CCCO1 ZINC000415965591 559285413 /nfs/dbraw/zinc/28/54/13/559285413.db2.gz AMJTZNQYHXVXLP-CQSZACIVSA-N 1 3 364.465 2.094 20 0 FEADHO [NH3+]Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000415970697 559285922 /nfs/dbraw/zinc/28/59/22/559285922.db2.gz FSRQLDPCXMVKRL-AZUAARDMSA-N 1 3 368.481 2.150 20 0 FEADHO [NH3+]CC[C@H](NC(=O)NCCCN1CCc2ccccc2C1)C(F)(F)F ZINC000415993577 559287820 /nfs/dbraw/zinc/28/78/20/559287820.db2.gz JLOJDFKEOQCJAU-HNNXBMFYSA-N 1 3 358.408 2.014 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416000397 559288429 /nfs/dbraw/zinc/28/84/29/559288429.db2.gz XYHWAEOUSSTMKX-LBPRGKRZSA-N 1 3 352.426 2.101 20 0 FEADHO [NH3+]CC[C@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(F)(F)F ZINC000416004599 559288706 /nfs/dbraw/zinc/28/87/06/559288706.db2.gz ISJPHSYYGBYJCF-GJZGRUSLSA-N 1 3 358.408 2.230 20 0 FEADHO C[NH2+]Cc1ccc(NC(=O)N2CCN(c3ccncc3OC)CC2)cc1 ZINC000416005880 559288824 /nfs/dbraw/zinc/28/88/24/559288824.db2.gz JAHOARAEYAWUGA-UHFFFAOYSA-N 1 3 355.442 2.164 20 0 FEADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccco1 ZINC000416047774 559290660 /nfs/dbraw/zinc/29/06/60/559290660.db2.gz PNFNVCNSXOHESB-GMXVVIOVSA-N 1 3 350.385 2.288 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416227218 559299810 /nfs/dbraw/zinc/29/98/10/559299810.db2.gz WJZLBBYQCSOKNA-XLIONFOSSA-N 1 3 359.514 2.391 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416829668 559334134 /nfs/dbraw/zinc/33/41/34/559334134.db2.gz FTZBFTCEDWFTTN-ZCNNSNEGSA-N 1 3 358.530 2.190 20 0 FEADHO CC1CCN([C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c2cccs2)CC1 ZINC000416854704 559335441 /nfs/dbraw/zinc/33/54/41/559335441.db2.gz VDVLLKUHISKYMC-BBWFWOEESA-N 1 3 362.543 2.382 20 0 FEADHO O=C(NCc1ccccc1CN1CCCCC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000416901826 559337270 /nfs/dbraw/zinc/33/72/70/559337270.db2.gz KNOIWWAEBQGPKU-UXHICEINSA-N 1 3 356.514 2.423 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CCC(C[NH3+])CC1)c1cccc(OC)c1 ZINC000416903230 559337429 /nfs/dbraw/zinc/33/74/29/559337429.db2.gz CCBYMWZDSYBCFM-LJQANCHMSA-N 1 3 362.518 2.458 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000416967355 559340781 /nfs/dbraw/zinc/34/07/81/559340781.db2.gz GVRBFCWZIHXZEA-QAQDUYKDSA-N 1 3 362.518 2.191 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000416980657 559341734 /nfs/dbraw/zinc/34/17/34/559341734.db2.gz ZBEXYCAVEPJQFA-MOPGFXCFSA-N 1 3 374.529 2.158 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000416980660 559341790 /nfs/dbraw/zinc/34/17/90/559341790.db2.gz ZBEXYCAVEPJQFA-OALUTQOASA-N 1 3 374.529 2.158 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000416979717 559341829 /nfs/dbraw/zinc/34/18/29/559341829.db2.gz XHEOHRGPHLRYTC-LJQANCHMSA-N 1 3 374.529 2.158 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417017693 559344017 /nfs/dbraw/zinc/34/40/17/559344017.db2.gz HIMDGVPTKPFSPK-KDURUIRLSA-N 1 3 356.514 2.076 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000417065657 559346421 /nfs/dbraw/zinc/34/64/21/559346421.db2.gz LAFKDRNEYOHIIT-UHFFFAOYSA-N 1 3 355.486 2.122 20 0 FEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000417218416 559353653 /nfs/dbraw/zinc/35/36/53/559353653.db2.gz GQZIQLGNDKOQPY-HKUYNNGSSA-N 1 3 374.529 2.361 20 0 FEADHO Cc1ccc([C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)N2CCCC2)cc1 ZINC000417354474 559358888 /nfs/dbraw/zinc/35/88/88/559358888.db2.gz LVTFWDLESUAERW-HOTGVXAUSA-N 1 3 354.445 2.414 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417362773 559359282 /nfs/dbraw/zinc/35/92/82/559359282.db2.gz JXDGUGCIFYWLGG-LPHOPBHVSA-N 1 3 362.543 2.355 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417363484 559359294 /nfs/dbraw/zinc/35/92/94/559359294.db2.gz LZXAQLKMFDZLMX-GOSISDBHSA-N 1 3 362.518 2.334 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417362775 559359348 /nfs/dbraw/zinc/35/93/48/559359348.db2.gz JXDGUGCIFYWLGG-VQIMIIECSA-N 1 3 362.543 2.355 20 0 FEADHO C[NH2+]CCC1CCN(C(=O)NCc2ccccc2OCCN(C)C)CC1 ZINC000417368499 559359590 /nfs/dbraw/zinc/35/95/90/559359590.db2.gz RBKAOIXBXUNNHK-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000417499066 559364796 /nfs/dbraw/zinc/36/47/96/559364796.db2.gz DTWWQAUSEUHNHL-JIRNRHONSA-N 1 3 374.529 2.278 20 0 FEADHO CC(C)[C@@H]([NH3+])CNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417581039 559367692 /nfs/dbraw/zinc/36/76/92/559367692.db2.gz GRUCNHVOWRIFOL-INIZCTEOSA-N 1 3 354.539 2.083 20 0 FEADHO CC(C)[C@H]([NH3+])CNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417581040 559367738 /nfs/dbraw/zinc/36/77/38/559367738.db2.gz GRUCNHVOWRIFOL-MRXNPFEDSA-N 1 3 354.539 2.083 20 0 FEADHO C[C@@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000417590164 559368227 /nfs/dbraw/zinc/36/82/27/559368227.db2.gz HHZNHJFVRBCUTB-MJGOQNOKSA-N 1 3 374.529 2.349 20 0 FEADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000417622907 559369368 /nfs/dbraw/zinc/36/93/68/559369368.db2.gz HXXFQDRASWIECV-JKSUJKDBSA-N 1 3 354.564 2.130 20 0 FEADHO COc1cc(NC(=O)N2CCN(C)CC[C@H]2C)ccc1OCC[NH+](C)C ZINC000417677897 559372041 /nfs/dbraw/zinc/37/20/41/559372041.db2.gz FWTZMAJSOGLMDH-OAHLLOKOSA-N 1 3 364.490 2.194 20 0 FEADHO [NH3+][C@H](CNC(=O)NCCCOC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000417825295 559377873 /nfs/dbraw/zinc/37/78/73/559377873.db2.gz MYQRNRSXANZLIT-HXUWFJFHSA-N 1 3 374.529 2.094 20 0 FEADHO CN1CC[C@H](NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)[C@@H]1c1ccccc1 ZINC000417932320 559382296 /nfs/dbraw/zinc/38/22/96/559382296.db2.gz CRYYNLGIKRGYLK-MUGJNUQGSA-N 1 3 356.514 2.463 20 0 FEADHO C[C@@]1(CNC(=O)N[C@H](CC[NH3+])C(F)F)CCCN1Cc1ccccc1 ZINC000418035262 559387342 /nfs/dbraw/zinc/38/73/42/559387342.db2.gz AEIDGAGIIWRXEJ-QAPCUYQASA-N 1 3 354.445 2.323 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCCO1 ZINC000418120186 559390842 /nfs/dbraw/zinc/39/08/42/559390842.db2.gz VLEUHQIJRUJVGP-HKUYNNGSSA-N 1 3 362.518 2.267 20 0 FEADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CNCCC1(F)F)C1CC1 ZINC000418143650 559391751 /nfs/dbraw/zinc/39/17/51/559391751.db2.gz MKDVNTRHODFABS-SJORKVTESA-N 1 3 366.456 2.193 20 0 FEADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CNCCC1(F)F)C1CC1 ZINC000418143650 559391752 /nfs/dbraw/zinc/39/17/52/559391752.db2.gz MKDVNTRHODFABS-SJORKVTESA-N 1 3 366.456 2.193 20 0 FEADHO CC[C@H](C)N[C@H](CNC(=O)NCC1(COC)CC[NH2+]CC1)c1ccco1 ZINC000418165793 559392572 /nfs/dbraw/zinc/39/25/72/559392572.db2.gz JWKSYSUMARFCSI-JKSUJKDBSA-N 1 3 366.506 2.024 20 0 FEADHO [NH3+]CCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418164437 559392598 /nfs/dbraw/zinc/39/25/98/559392598.db2.gz WWBIDIKZBFCLRS-VQTJNVASSA-N 1 3 352.482 2.303 20 0 FEADHO CCCN(C)[C@@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)cc1 ZINC000418190947 559393541 /nfs/dbraw/zinc/39/35/41/559393541.db2.gz WUHUESCQWAOMRA-VVLHAWIVSA-N 1 3 350.894 2.240 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)N(C)C)cc1 ZINC000418208545 559394045 /nfs/dbraw/zinc/39/40/45/559394045.db2.gz QQHRAHVVRIYKOU-MNEFBYGVSA-N 1 3 362.518 2.455 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)N(C)C)cc1 ZINC000418236664 559395059 /nfs/dbraw/zinc/39/50/59/559395059.db2.gz UTERXKWZAPLOHW-XKQJLSEDSA-N 1 3 350.532 2.308 20 0 FEADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC000418342764 559398220 /nfs/dbraw/zinc/39/82/20/559398220.db2.gz NFAITWJFUJFSEW-HOTGVXAUSA-N 1 3 350.482 2.287 20 0 FEADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000418349891 559398695 /nfs/dbraw/zinc/39/86/95/559398695.db2.gz SLPJIELKYSPMNK-GOEBONIOSA-N 1 3 368.472 2.426 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418356952 559398793 /nfs/dbraw/zinc/39/87/93/559398793.db2.gz YVDIJIJBAHPBRU-MRXNPFEDSA-N 1 3 350.482 2.289 20 0 FEADHO O=C(NC[C@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418359395 559398921 /nfs/dbraw/zinc/39/89/21/559398921.db2.gz FDSGCGYCQLIXIQ-CTNGQTDRSA-N 1 3 356.514 2.436 20 0 FEADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418424815 559401005 /nfs/dbraw/zinc/40/10/05/559401005.db2.gz KSFVGKBIPJQEKT-IEBWSBKVSA-N 1 3 359.518 2.457 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000418429560 559401159 /nfs/dbraw/zinc/40/11/59/559401159.db2.gz QLCIFNGVJDCVIW-PKOBYXMFSA-N 1 3 362.518 2.286 20 0 FEADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1 ZINC000418484606 559403463 /nfs/dbraw/zinc/40/34/63/559403463.db2.gz GQKXNNFCGCSXTH-HOTGVXAUSA-N 1 3 360.502 2.101 20 0 FEADHO COc1cnccc1N1CCN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000418486598 559403501 /nfs/dbraw/zinc/40/35/01/559403501.db2.gz INCXDJSEDLQNCK-HNNXBMFYSA-N 1 3 369.469 2.142 20 0 FEADHO CCN(C(=O)NCC[NH2+]CCOC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418499410 559403943 /nfs/dbraw/zinc/40/39/43/559403943.db2.gz OAFMZNGLQTUJQH-PKOBYXMFSA-N 1 3 362.518 2.089 20 0 FEADHO O=C(NCC1=CC[NH2+]CC1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418536976 559405140 /nfs/dbraw/zinc/40/51/40/559405140.db2.gz HUMUMUJBHXJVSW-NRFANRHFSA-N 1 3 354.498 2.214 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418543090 559405527 /nfs/dbraw/zinc/40/55/27/559405527.db2.gz OTLZENSOZBZHTP-LJQANCHMSA-N 1 3 350.482 2.289 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)C[C@H](C)O1 ZINC000418612108 559407880 /nfs/dbraw/zinc/40/78/80/559407880.db2.gz FBDJPEXFPZYSRF-JTDSTZFVSA-N 1 3 366.550 2.035 20 0 FEADHO [NH3+]C1(CNC(=O)NC[C@@H]2NCCc3ccccc32)C2CC3CC(C2)CC1C3 ZINC000418637689 559408825 /nfs/dbraw/zinc/40/88/25/559408825.db2.gz NVYPUXSTLFLWKE-AOKPMGOMSA-N 1 3 368.525 2.326 20 0 FEADHO CCN(C(=O)NC[C@]1(COC)CCC[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418652922 559409875 /nfs/dbraw/zinc/40/98/75/559409875.db2.gz JSPWECDVMXKWIF-FPOVZHCZSA-N 1 3 374.529 2.061 20 0 FEADHO COC[C@]1(CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CCC[NH2+]1 ZINC000418659161 559410157 /nfs/dbraw/zinc/41/01/57/559410157.db2.gz VCMGOVYPUYZILE-OAQYLSRUSA-N 1 3 374.529 2.061 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418677409 559410872 /nfs/dbraw/zinc/41/08/72/559410872.db2.gz ROAFBVUKPOKUQZ-RTBURBONSA-N 1 3 362.518 2.219 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)o1 ZINC000418680305 559410933 /nfs/dbraw/zinc/41/09/33/559410933.db2.gz FUWCIUCXGKHSRO-VQTJNVASSA-N 1 3 370.497 2.417 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc(C)cc(N)c1 ZINC000418758085 559414414 /nfs/dbraw/zinc/41/44/14/559414414.db2.gz IFSFFUZKPOCSIF-LJQANCHMSA-N 1 3 361.534 2.135 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc(C)cc(N)c1 ZINC000418758085 559414415 /nfs/dbraw/zinc/41/44/15/559414415.db2.gz IFSFFUZKPOCSIF-LJQANCHMSA-N 1 3 361.534 2.135 20 0 FEADHO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCCN(Cc2ccccc2)CC1 ZINC000418779829 559415824 /nfs/dbraw/zinc/41/58/24/559415824.db2.gz BOTJTSMDCRXRTL-XUVXKRRUSA-N 1 3 356.514 2.292 20 0 FEADHO CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCC3([NH+](C)C)CC3)c2C1 ZINC000419794943 559459598 /nfs/dbraw/zinc/45/95/98/559459598.db2.gz ICDMWSHDAAQVNT-HNNXBMFYSA-N 1 3 372.513 2.196 20 0 FEADHO CN(CCCOc1ccc(S(C)(=O)=O)cc1)CC[C@@H]1CCC[NH2+]C1 ZINC000420299430 559479259 /nfs/dbraw/zinc/47/92/59/559479259.db2.gz GMZMQBGPSZBKST-INIZCTEOSA-N 1 3 354.516 2.181 20 0 FEADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1 ZINC000420309094 559479715 /nfs/dbraw/zinc/47/97/15/559479715.db2.gz DKORVPWQMOZFJJ-MJGOQNOKSA-N 1 3 357.502 2.358 20 0 FEADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1 ZINC000420309094 559479716 /nfs/dbraw/zinc/47/97/16/559479716.db2.gz DKORVPWQMOZFJJ-MJGOQNOKSA-N 1 3 357.502 2.358 20 0 FEADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1 ZINC000420309094 559479717 /nfs/dbraw/zinc/47/97/17/559479717.db2.gz DKORVPWQMOZFJJ-MJGOQNOKSA-N 1 3 357.502 2.358 20 0 FEADHO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338833 559481780 /nfs/dbraw/zinc/48/17/80/559481780.db2.gz YCGRGQUGFCUTTD-MKXGPGLRSA-N 1 3 351.535 2.019 20 0 FEADHO COC(=O)c1ccccc1OCCN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420387810 559484552 /nfs/dbraw/zinc/48/45/52/559484552.db2.gz WNAHAPXRIVFDMC-HKUYNNGSSA-N 1 3 362.470 2.070 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@H](C)C[C@@H](CO)C1 ZINC000420950862 559513488 /nfs/dbraw/zinc/51/34/88/559513488.db2.gz WTCZJCRGNJCBCF-QWFCFKBJSA-N 1 3 373.541 2.106 20 0 FEADHO Cc1ccc(CN2CCCN(C(=O)CN(C)C[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000421001329 559518618 /nfs/dbraw/zinc/51/86/18/559518618.db2.gz LDVSIGBOKWXOFD-OAQYLSRUSA-N 1 3 372.557 2.055 20 0 FEADHO Cc1ccc(CN2CCCN(C(=O)CN(C)C[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000421001329 559518619 /nfs/dbraw/zinc/51/86/19/559518619.db2.gz LDVSIGBOKWXOFD-OAQYLSRUSA-N 1 3 372.557 2.055 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(Cc3ncc(CN(C)C)s3)CC2)CC1 ZINC000421376913 559540445 /nfs/dbraw/zinc/54/04/45/559540445.db2.gz RGHHZZPOCIRORM-UHFFFAOYSA-N 1 3 365.591 2.197 20 0 FEADHO CCN1CCC([N@H+]2CCCN(Cc3ncc(CN(C)C)s3)CC2)CC1 ZINC000421376913 559540446 /nfs/dbraw/zinc/54/04/46/559540446.db2.gz RGHHZZPOCIRORM-UHFFFAOYSA-N 1 3 365.591 2.197 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3c4ccccc4C[C@@H]3C[NH3+])cc2)CC1 ZINC000422614537 559597785 /nfs/dbraw/zinc/59/77/85/559597785.db2.gz HSNJIAKGBRRLCP-HXUWFJFHSA-N 1 3 364.493 2.359 20 0 FEADHO CCN1CCN(C[C@H](C)CN[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422711523 559603906 /nfs/dbraw/zinc/60/39/06/559603906.db2.gz HBMUIGULEXEBBF-STZQEDGTSA-N 1 3 374.573 2.352 20 0 FEADHO CC(C)[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCOCC1 ZINC000422806510 559607011 /nfs/dbraw/zinc/60/70/11/559607011.db2.gz NLENOVVDSXXIKL-ZJOUEHCJSA-N 1 3 359.514 2.189 20 0 FEADHO O=C(CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000422844964 559608244 /nfs/dbraw/zinc/60/82/44/559608244.db2.gz NHWRAXWWURTQOO-NJDAHSKKSA-N 1 3 370.541 2.236 20 0 FEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422848711 559608445 /nfs/dbraw/zinc/60/84/45/559608445.db2.gz UEEIMQRGOVRWJT-RTBURBONSA-N 1 3 373.545 2.021 20 0 FEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000422906310 559610791 /nfs/dbraw/zinc/61/07/91/559610791.db2.gz JOHYKSGPFFXFSQ-DYESRHJHSA-N 1 3 368.525 2.026 20 0 FEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000422911115 559610977 /nfs/dbraw/zinc/61/09/77/559610977.db2.gz SGHSYAABCYENQK-YLJYHZDGSA-N 1 3 360.546 2.378 20 0 FEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCN1c2ccccc2OCC1=O ZINC000422921813 559611353 /nfs/dbraw/zinc/61/13/53/559611353.db2.gz OXMKJWWVTOEREU-AEFFLSMTSA-N 1 3 353.466 2.350 20 0 FEADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H](O)COc1ccccc1Br ZINC000422934384 559611941 /nfs/dbraw/zinc/61/19/41/559611941.db2.gz FOXXWUMSEJMDSV-GZBFAFLISA-N 1 3 357.292 2.296 20 0 FEADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000422934384 559611942 /nfs/dbraw/zinc/61/19/42/559611942.db2.gz FOXXWUMSEJMDSV-GZBFAFLISA-N 1 3 357.292 2.296 20 0 FEADHO OC[C@H](CN[C@H]1CCC[NH2+]CC1)Cc1cc(F)cc(Br)c1 ZINC000423173474 559621931 /nfs/dbraw/zinc/62/19/31/559621931.db2.gz YWACMXIIABDJKF-BBRMVZONSA-N 1 3 359.283 2.471 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(N2CCNCC2)cn1 ZINC000423231479 559623269 /nfs/dbraw/zinc/62/32/69/559623269.db2.gz LGYPJAGWWLJNOY-XLIONFOSSA-N 1 3 351.498 2.424 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(N2CCNCC2)cn1 ZINC000423231479 559623270 /nfs/dbraw/zinc/62/32/70/559623270.db2.gz LGYPJAGWWLJNOY-XLIONFOSSA-N 1 3 351.498 2.424 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H](C)CCN2)c1 ZINC000423343163 559625911 /nfs/dbraw/zinc/62/59/11/559625911.db2.gz ZIRXOSDMMASYRT-QAPCUYQASA-N 1 3 360.502 2.085 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3C[C@H](C)CC[NH2+]3)CC2)cc1 ZINC000423366172 559626870 /nfs/dbraw/zinc/62/68/70/559626870.db2.gz XKEXWQXBJKGUBN-UZLBHIALSA-N 1 3 359.514 2.412 20 0 FEADHO COc1ccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1OC ZINC000423390477 559627573 /nfs/dbraw/zinc/62/75/73/559627573.db2.gz OKRNCCRCPNMFCM-LRDDRELGSA-N 1 3 361.408 2.191 20 0 FEADHO C[C@H]1CC[NH2+][C@@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000423428750 559628863 /nfs/dbraw/zinc/62/88/63/559628863.db2.gz RPCNCJOHUKLWIP-HNAYVOBHSA-N 1 3 363.477 2.173 20 0 FEADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000423889916 559644174 /nfs/dbraw/zinc/64/41/74/559644174.db2.gz IEEQALSHKPVGAB-SJLPKXTDSA-N 1 3 363.527 2.043 20 0 FEADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000423889914 559644180 /nfs/dbraw/zinc/64/41/80/559644180.db2.gz IEEQALSHKPVGAB-FUHWJXTLSA-N 1 3 363.527 2.043 20 0 FEADHO NC(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C(F)(F)F ZINC000423913157 559645203 /nfs/dbraw/zinc/64/52/03/559645203.db2.gz WYIOKORRZHJQAQ-BZUAXINKSA-N 1 3 355.404 2.389 20 0 FEADHO NC(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C(F)(F)F ZINC000423913157 559645204 /nfs/dbraw/zinc/64/52/04/559645204.db2.gz WYIOKORRZHJQAQ-BZUAXINKSA-N 1 3 355.404 2.389 20 0 FEADHO C[C@@H]1CC2(CN1CC(=O)NCCc1c(F)cccc1F)CC[NH2+]CC2 ZINC000424285109 559660622 /nfs/dbraw/zinc/66/06/22/559660622.db2.gz FDCBHTWDLNOVRU-CQSZACIVSA-N 1 3 351.441 2.088 20 0 FEADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(C(=O)NCCN(C)C)cc3)C[C@H]2C1 ZINC000424304309 559661062 /nfs/dbraw/zinc/66/10/62/559661062.db2.gz QSTWNVIKSIORMC-FGYAAKKASA-N 1 3 359.514 2.271 20 0 FEADHO Cc1cc(CN)cc(NC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000424441228 559665062 /nfs/dbraw/zinc/66/50/62/559665062.db2.gz WKUVGRYTYVTLTI-ROUUACIJSA-N 1 3 373.545 2.476 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H]2CCCCN2CC(C)C)c1 ZINC000424458847 559665965 /nfs/dbraw/zinc/66/59/65/559665965.db2.gz UTDFSOPGJKHBAI-SFHVURJKSA-N 1 3 360.502 2.019 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424468697 559666381 /nfs/dbraw/zinc/66/63/81/559666381.db2.gz PLNFNEIJFKILRH-HKUYNNGSSA-N 1 3 374.529 2.409 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425655661 559713335 /nfs/dbraw/zinc/71/33/35/559713335.db2.gz RWDKPPUMLOSPNF-AKHDSKFASA-N 1 3 350.551 2.480 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(COC)c1 ZINC000427101569 559747853 /nfs/dbraw/zinc/74/78/53/559747853.db2.gz PNTFYFUXMCPYRG-HXUWFJFHSA-N 1 3 361.530 2.250 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(COC)c1 ZINC000427101569 559747854 /nfs/dbraw/zinc/74/78/54/559747854.db2.gz PNTFYFUXMCPYRG-HXUWFJFHSA-N 1 3 361.530 2.250 20 0 FEADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000429185239 559792595 /nfs/dbraw/zinc/79/25/95/559792595.db2.gz CKGBDDPOEOHKGD-RTBURBONSA-N 1 3 358.530 2.175 20 0 FEADHO [NH3+]CC1CCN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000430589780 559823840 /nfs/dbraw/zinc/82/38/40/559823840.db2.gz FOJKVIQBEASIFF-INIZCTEOSA-N 1 3 353.413 2.454 20 0 FEADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000430636905 559825275 /nfs/dbraw/zinc/82/52/75/559825275.db2.gz ZULCZRXGPFBSOA-CQSZACIVSA-N 1 3 362.861 2.282 20 0 FEADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000430646951 559825571 /nfs/dbraw/zinc/82/55/71/559825571.db2.gz PONCHBSFNGFOGT-HXUWFJFHSA-N 1 3 372.557 2.483 20 0 FEADHO COC1CCN(C2(CNC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CCCC2)CC1 ZINC000430709113 559826907 /nfs/dbraw/zinc/82/69/07/559826907.db2.gz WIGHOLJXQWHFJN-NEWSRXKRSA-N 1 3 363.546 2.447 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC([C@@H](C)[NH3+])CC2)cc1OC ZINC000430933114 559830667 /nfs/dbraw/zinc/83/06/67/559830667.db2.gz HBEYRTBVICUNRN-HUUCEWRRSA-N 1 3 363.502 2.110 20 0 FEADHO C[C@H]([NH3+])C1CCN(CC(=O)N(C)CCCOc2ccc(F)cc2)CC1 ZINC000430944714 559830994 /nfs/dbraw/zinc/83/09/94/559830994.db2.gz NPNLFQQFIFQFOW-HNNXBMFYSA-N 1 3 351.466 2.112 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000432937364 559868061 /nfs/dbraw/zinc/86/80/61/559868061.db2.gz KFLFRAOAUZAAQN-UHFFFAOYSA-N 1 3 353.532 2.291 20 0 FEADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433336411 559877403 /nfs/dbraw/zinc/87/74/03/559877403.db2.gz VMCXFYVRUZNWEQ-OKZBNKHCSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCCO1 ZINC000433404291 559880204 /nfs/dbraw/zinc/88/02/04/559880204.db2.gz WDXNCDNMWQVJNO-DLBZAZTESA-N 1 3 356.555 2.153 20 0 FEADHO CCC[NH+]1CCC(N(C)C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000433463544 559882023 /nfs/dbraw/zinc/88/20/23/559882023.db2.gz ROIZUYCOADVXPA-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO CC[C@H](C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)N(CC)CC ZINC000433547742 559883902 /nfs/dbraw/zinc/88/39/02/559883902.db2.gz JDCDRCMHBGCMNE-LJQANCHMSA-N 1 3 352.567 2.124 20 0 FEADHO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000433871082 559889150 /nfs/dbraw/zinc/88/91/50/559889150.db2.gz VGFYXHFCBKVKLF-UHFFFAOYSA-N 1 3 367.559 2.491 20 0 FEADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCOc1ccc(C(F)(F)F)cc1 ZINC000436046794 559934329 /nfs/dbraw/zinc/93/43/29/559934329.db2.gz BTXXLRKNPWGFIN-OAHLLOKOSA-N 1 3 373.419 2.404 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000440181496 560006224 /nfs/dbraw/zinc/00/62/24/560006224.db2.gz VFWLWUBATZCHFK-RTBURBONSA-N 1 3 368.566 2.249 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000440181496 560006225 /nfs/dbraw/zinc/00/62/25/560006225.db2.gz VFWLWUBATZCHFK-RTBURBONSA-N 1 3 368.566 2.249 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)N(CCN(C)C)C(C)C)[C@@H](C)C1 ZINC000440247425 560007445 /nfs/dbraw/zinc/00/74/45/560007445.db2.gz ZRUWDHMYYKQEQW-ZWKOTPCHSA-N 1 3 356.555 2.105 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(CCN(C)C)C(C)C)[C@@H](C)C1 ZINC000440247425 560007444 /nfs/dbraw/zinc/00/74/44/560007444.db2.gz ZRUWDHMYYKQEQW-ZWKOTPCHSA-N 1 3 356.555 2.105 20 0 FEADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000446279777 560143400 /nfs/dbraw/zinc/14/34/00/560143400.db2.gz ZQXAHOSYFGPCHU-VUYAKXMISA-N 1 3 371.525 2.471 20 0 FEADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000446279777 560143401 /nfs/dbraw/zinc/14/34/01/560143401.db2.gz ZQXAHOSYFGPCHU-VUYAKXMISA-N 1 3 371.525 2.471 20 0 FEADHO C[C@H](CN1CCN(C)CC1)[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449126056 560216937 /nfs/dbraw/zinc/21/69/37/560216937.db2.gz UJZGNPARAYCRPJ-WOJBJXKFSA-N 1 3 358.574 2.308 20 0 FEADHO C[C@H](CN1CCN(C)CC1)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449126056 560216938 /nfs/dbraw/zinc/21/69/38/560216938.db2.gz UJZGNPARAYCRPJ-WOJBJXKFSA-N 1 3 358.574 2.308 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[NH2+]CC3(C)C)CC2)c1 ZINC000449707446 560237777 /nfs/dbraw/zinc/23/77/77/560237777.db2.gz QWJPEWXEAJCMFW-LJQANCHMSA-N 1 3 358.530 2.011 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCCCN2CCO)cc1)C1CC1 ZINC000452384003 560361982 /nfs/dbraw/zinc/36/19/82/560361982.db2.gz BIJYTDDBCHWUEZ-FQEVSTJZSA-N 1 3 359.514 2.248 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCCCN2CCO)cc1)C1CC1 ZINC000452384003 560361983 /nfs/dbraw/zinc/36/19/83/560361983.db2.gz BIJYTDDBCHWUEZ-FQEVSTJZSA-N 1 3 359.514 2.248 20 0 FEADHO c1ccc(C[N@H+]2CC[C@H](NCCNc3cnccn3)[C@@H]3CCC[C@H]32)cc1 ZINC000453127950 560383704 /nfs/dbraw/zinc/38/37/04/560383704.db2.gz CSWNNKBHBQFYGC-SLFFLAALSA-N 1 3 351.498 2.921 20 0 FEADHO c1ccc(C[N@@H+]2CC[C@H](NCCNc3cnccn3)[C@@H]3CCC[C@H]32)cc1 ZINC000453127950 560383705 /nfs/dbraw/zinc/38/37/05/560383705.db2.gz CSWNNKBHBQFYGC-SLFFLAALSA-N 1 3 351.498 2.921 20 0 FEADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453592584 560390232 /nfs/dbraw/zinc/39/02/32/560390232.db2.gz KLUCEHVZHHBGDL-DNVCBOLYSA-N 1 3 372.513 2.165 20 0 FEADHO C[C@H]1CN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000454636024 560452295 /nfs/dbraw/zinc/45/22/95/560452295.db2.gz FBASGUSIKFVWAU-IEBWSBKVSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@H]1CN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000454636024 560452296 /nfs/dbraw/zinc/45/22/96/560452296.db2.gz FBASGUSIKFVWAU-IEBWSBKVSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H](NC(=O)Nc1ccnn1CCN(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000455661200 560490873 /nfs/dbraw/zinc/49/08/73/560490873.db2.gz TWDLRSFQIVUNCU-HZPDHXFCSA-N 1 3 362.522 2.219 20 0 FEADHO C[C@@H](NC(=O)Nc1ccnn1CCN(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000455661200 560490874 /nfs/dbraw/zinc/49/08/74/560490874.db2.gz TWDLRSFQIVUNCU-HZPDHXFCSA-N 1 3 362.522 2.219 20 0 FEADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H](O)CN3CCCCC3)ccc21 ZINC000455896886 560499556 /nfs/dbraw/zinc/49/95/56/560499556.db2.gz DILJJIMDGTUZTN-PKOBYXMFSA-N 1 3 360.502 2.204 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC(C)(C)C[NH+]3CCCC3)cc2)CC1 ZINC000457053272 560545912 /nfs/dbraw/zinc/54/59/12/560545912.db2.gz PIHOXTJBMZWBNS-UHFFFAOYSA-N 1 3 358.530 2.433 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)Cc1ccccc1 ZINC000457469319 560568677 /nfs/dbraw/zinc/56/86/77/560568677.db2.gz CNFCWVDMHIUGLL-FPOVZHCZSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)Cc1ccccc1 ZINC000457469319 560568678 /nfs/dbraw/zinc/56/86/78/560568678.db2.gz CNFCWVDMHIUGLL-FPOVZHCZSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000457645880 560579680 /nfs/dbraw/zinc/57/96/80/560579680.db2.gz JHYWFNUUDRJDEC-QGZVFWFLSA-N 1 3 362.518 2.158 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000457645880 560579681 /nfs/dbraw/zinc/57/96/81/560579681.db2.gz JHYWFNUUDRJDEC-QGZVFWFLSA-N 1 3 362.518 2.158 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000457702700 560582675 /nfs/dbraw/zinc/58/26/75/560582675.db2.gz DRQIIAHOGHOARL-FGTMMUONSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000457702700 560582676 /nfs/dbraw/zinc/58/26/76/560582676.db2.gz DRQIIAHOGHOARL-FGTMMUONSA-N 1 3 350.551 2.480 20 0 FEADHO CCc1noc(C)c1CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000458820064 560650068 /nfs/dbraw/zinc/65/00/68/560650068.db2.gz RLOKNWJLVMOZFG-INIZCTEOSA-N 1 3 365.522 2.103 20 0 FEADHO CCc1noc(C)c1CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000458820064 560650069 /nfs/dbraw/zinc/65/00/69/560650069.db2.gz RLOKNWJLVMOZFG-INIZCTEOSA-N 1 3 365.522 2.103 20 0 FEADHO CN(CCNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000460212082 560738269 /nfs/dbraw/zinc/73/82/69/560738269.db2.gz ANTCSVSCIMWOTJ-RTBURBONSA-N 1 3 356.514 2.244 20 0 FEADHO CN(CCNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000460212082 560738271 /nfs/dbraw/zinc/73/82/71/560738271.db2.gz ANTCSVSCIMWOTJ-RTBURBONSA-N 1 3 356.514 2.244 20 0 FEADHO C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000461092734 560761323 /nfs/dbraw/zinc/76/13/23/560761323.db2.gz QSKPYUVXONEOOD-OXQOHEQNSA-N 1 3 350.503 2.455 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000461981894 560790690 /nfs/dbraw/zinc/79/06/90/560790690.db2.gz KITFVJJFCUROFB-OAQYLSRUSA-N 1 3 370.541 2.286 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000462120648 560798069 /nfs/dbraw/zinc/79/80/69/560798069.db2.gz VKQDQYRCXOSTMY-YJBOKZPZSA-N 1 3 350.507 2.326 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000462120648 560798070 /nfs/dbraw/zinc/79/80/70/560798070.db2.gz VKQDQYRCXOSTMY-YJBOKZPZSA-N 1 3 350.507 2.326 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)CC[N@@H+]1C ZINC000465655669 560870612 /nfs/dbraw/zinc/87/06/12/560870612.db2.gz ISQJLYNAJZWJEO-HOTGVXAUSA-N 1 3 354.564 2.130 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)CC[N@H+]1C ZINC000465655669 560870613 /nfs/dbraw/zinc/87/06/13/560870613.db2.gz ISQJLYNAJZWJEO-HOTGVXAUSA-N 1 3 354.564 2.130 20 0 FEADHO CN(C)C1(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)Cc2ccccc2C1 ZINC000465694663 560871267 /nfs/dbraw/zinc/87/12/67/560871267.db2.gz YKWNMOUSSHNHOA-RTBURBONSA-N 1 3 356.514 2.012 20 0 FEADHO CN(C)C1(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)Cc2ccccc2C1 ZINC000465694663 560871268 /nfs/dbraw/zinc/87/12/68/560871268.db2.gz YKWNMOUSSHNHOA-RTBURBONSA-N 1 3 356.514 2.012 20 0 FEADHO CC[C@]1(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CCC[NH2+]1 ZINC000467706940 560915351 /nfs/dbraw/zinc/91/53/51/560915351.db2.gz MDRKHQITBFQBJJ-PZJWPPBQSA-N 1 3 358.530 2.014 20 0 FEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000468482752 560931177 /nfs/dbraw/zinc/93/11/77/560931177.db2.gz GICASXARIONETD-SVFBPWRDSA-N 1 3 372.557 2.354 20 0 FEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000468482752 560931178 /nfs/dbraw/zinc/93/11/78/560931178.db2.gz GICASXARIONETD-SVFBPWRDSA-N 1 3 372.557 2.354 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)COC(C)(C)C(F)(F)F)CC2)CC1 ZINC000468778420 560938552 /nfs/dbraw/zinc/93/85/52/560938552.db2.gz BGEHURMVZGZGHV-UHFFFAOYSA-N 1 3 365.440 2.019 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)C[C@H]1C ZINC000469678402 560961563 /nfs/dbraw/zinc/96/15/63/560961563.db2.gz WDRUBSUOXTZUIH-MSOLQXFVSA-N 1 3 351.535 2.353 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)C[C@H]1C ZINC000469678402 560961564 /nfs/dbraw/zinc/96/15/64/560961564.db2.gz WDRUBSUOXTZUIH-MSOLQXFVSA-N 1 3 351.535 2.353 20 0 FEADHO Cc1ccc(-c2ncc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)s2)cc1 ZINC000470008529 560971909 /nfs/dbraw/zinc/97/19/09/560971909.db2.gz LVNCIFIOQUAIFX-INIZCTEOSA-N 1 3 358.511 2.405 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)N2CCCN([C@@H](C)CO)CC2)cc1)C1CC1 ZINC000470086707 560974017 /nfs/dbraw/zinc/97/40/17/560974017.db2.gz JOQOCKNHFWSXMN-KRWDZBQOSA-N 1 3 359.514 2.200 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)N2CCCN([C@@H](C)CO)CC2)cc1)C1CC1 ZINC000470086707 560974018 /nfs/dbraw/zinc/97/40/18/560974018.db2.gz JOQOCKNHFWSXMN-KRWDZBQOSA-N 1 3 359.514 2.200 20 0 FEADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccc4c(c3)CNC4)CC2)C[C@H](C)O1 ZINC000470373317 560979946 /nfs/dbraw/zinc/97/99/46/560979946.db2.gz CTUGQNVBQNNKJW-IYBDPMFKSA-N 1 3 357.498 2.251 20 0 FEADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3ccc4c(c3)CNC4)CC2)C[C@H](C)O1 ZINC000470373317 560979947 /nfs/dbraw/zinc/97/99/47/560979947.db2.gz CTUGQNVBQNNKJW-IYBDPMFKSA-N 1 3 357.498 2.251 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)CCN2CCc3ccccc3C2)CC1 ZINC000471369770 561002969 /nfs/dbraw/zinc/00/29/69/561002969.db2.gz IDVGFBBKBKARRM-UHFFFAOYSA-N 1 3 359.514 2.052 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000472049660 561016781 /nfs/dbraw/zinc/01/67/81/561016781.db2.gz XLECUXLJXOWPBO-RBAQFSTRSA-N 1 3 368.525 2.243 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000472049660 561016782 /nfs/dbraw/zinc/01/67/82/561016782.db2.gz XLECUXLJXOWPBO-RBAQFSTRSA-N 1 3 368.525 2.243 20 0 FEADHO CN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000472321751 561024318 /nfs/dbraw/zinc/02/43/18/561024318.db2.gz QXHQLVCWUMLJLZ-ICSRJNTNSA-N 1 3 356.514 2.387 20 0 FEADHO CN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000472321751 561024319 /nfs/dbraw/zinc/02/43/19/561024319.db2.gz QXHQLVCWUMLJLZ-ICSRJNTNSA-N 1 3 356.514 2.387 20 0 FEADHO COc1ccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000473604835 561053797 /nfs/dbraw/zinc/05/37/97/561053797.db2.gz GMBMBTAFBBHAHC-UHFFFAOYSA-N 1 3 363.477 2.052 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)CC[N@H+](C)C3CC3)CC2)c1 ZINC000474565277 561077029 /nfs/dbraw/zinc/07/70/29/561077029.db2.gz VFZHTGFTAZDOAW-UHFFFAOYSA-N 1 3 358.530 2.060 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)CC[N@@H+](C)C3CC3)CC2)c1 ZINC000474565277 561077030 /nfs/dbraw/zinc/07/70/30/561077030.db2.gz VFZHTGFTAZDOAW-UHFFFAOYSA-N 1 3 358.530 2.060 20 0 FEADHO CC[NH+](CC)CC1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000475037779 561088454 /nfs/dbraw/zinc/08/84/54/561088454.db2.gz GXMYOXVVXHNERI-NRFANRHFSA-N 1 3 374.573 2.459 20 0 FEADHO CCN(CCCN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1)CC(F)(F)F ZINC000475159147 561091842 /nfs/dbraw/zinc/09/18/42/561091842.db2.gz XRCIWLJABFOVCR-MRXNPFEDSA-N 1 3 364.500 2.361 20 0 FEADHO CCN(CCCN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1)CC(F)(F)F ZINC000475159147 561091843 /nfs/dbraw/zinc/09/18/43/561091843.db2.gz XRCIWLJABFOVCR-MRXNPFEDSA-N 1 3 364.500 2.361 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000475983299 561108786 /nfs/dbraw/zinc/10/87/86/561108786.db2.gz LZCKJWPUWWDUDL-ROUUACIJSA-N 1 3 368.566 2.438 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000475983299 561108787 /nfs/dbraw/zinc/10/87/87/561108787.db2.gz LZCKJWPUWWDUDL-ROUUACIJSA-N 1 3 368.566 2.438 20 0 FEADHO CC(C)OCC[NH+]1CCC(NC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000476441731 561119399 /nfs/dbraw/zinc/11/93/99/561119399.db2.gz ZIEQPLLPSGTLSM-UHFFFAOYSA-N 1 3 366.550 2.146 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000476482289 561120673 /nfs/dbraw/zinc/12/06/73/561120673.db2.gz COBRMFVNAHLHSZ-RBUKOAKNSA-N 1 3 368.566 2.297 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000528750505 562345688 /nfs/dbraw/zinc/34/56/88/562345688.db2.gz ANNXZHPZJKWRBB-MSQSPTIYSA-N 1 3 373.541 2.477 20 0 FEADHO Cn1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(-c2cccnc2)n1 ZINC000530249334 562404128 /nfs/dbraw/zinc/40/41/28/562404128.db2.gz VZFNWEITHCGKBF-IBGZPJMESA-N 1 3 355.486 2.073 20 0 FEADHO Cn1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(-c2cccnc2)n1 ZINC000530249335 562404223 /nfs/dbraw/zinc/40/42/23/562404223.db2.gz VZFNWEITHCGKBF-LJQANCHMSA-N 1 3 355.486 2.073 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)COc1c(Cl)cccc1Cl ZINC000530880665 562427171 /nfs/dbraw/zinc/42/71/71/562427171.db2.gz LWHJROLOFNNWPI-UHFFFAOYSA-N 1 3 362.301 2.324 20 0 FEADHO CC(C)(CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000531281163 562440369 /nfs/dbraw/zinc/44/03/69/562440369.db2.gz AFDYVTMMMKMXGZ-OAQYLSRUSA-N 1 3 359.514 2.004 20 0 FEADHO CC(C)(CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000531281163 562440370 /nfs/dbraw/zinc/44/03/70/562440370.db2.gz AFDYVTMMMKMXGZ-OAQYLSRUSA-N 1 3 359.514 2.004 20 0 FEADHO Cc1nccn1-c1ccc([C@@H](C)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000532215304 562470674 /nfs/dbraw/zinc/47/06/74/562470674.db2.gz MQAHWAGEAGTGPZ-VQIMIIECSA-N 1 3 369.513 2.419 20 0 FEADHO Cc1nccn1-c1ccc([C@@H](C)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000532215304 562470675 /nfs/dbraw/zinc/47/06/75/562470675.db2.gz MQAHWAGEAGTGPZ-VQIMIIECSA-N 1 3 369.513 2.419 20 0 FEADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000532215304 562470676 /nfs/dbraw/zinc/47/06/76/562470676.db2.gz MQAHWAGEAGTGPZ-VQIMIIECSA-N 1 3 369.513 2.419 20 0 FEADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532689457 562485766 /nfs/dbraw/zinc/48/57/66/562485766.db2.gz KYRCKTODHLVPEB-XUVXKRRUSA-N 1 3 356.514 2.236 20 0 FEADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532689457 562485767 /nfs/dbraw/zinc/48/57/67/562485767.db2.gz KYRCKTODHLVPEB-XUVXKRRUSA-N 1 3 356.514 2.236 20 0 FEADHO CN(CCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000533772475 562517844 /nfs/dbraw/zinc/51/78/44/562517844.db2.gz SOIHAYPFLURJHV-HXUWFJFHSA-N 1 3 358.530 2.492 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)Cc1ccccc1 ZINC000533811395 562518686 /nfs/dbraw/zinc/51/86/86/562518686.db2.gz CKNUTQOFWNSFBU-WOJBJXKFSA-N 1 3 358.530 2.429 20 0 FEADHO CC(C)(CNC(=O)NCCNc1cc[nH+]cc1)N1CCc2ccccc2C1 ZINC000535261355 562554320 /nfs/dbraw/zinc/55/43/20/562554320.db2.gz MULSBBJRNPIQEZ-UHFFFAOYSA-N 1 3 367.497 2.052 20 0 FEADHO CCN1CCN(CCC(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CC1 ZINC000537131564 562586287 /nfs/dbraw/zinc/58/62/87/562586287.db2.gz OFXNSSXQBZFXQQ-UHFFFAOYSA-N 1 3 358.530 2.289 20 0 FEADHO CCN1CCN(CCC(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CC1 ZINC000537131564 562586288 /nfs/dbraw/zinc/58/62/88/562586288.db2.gz OFXNSSXQBZFXQQ-UHFFFAOYSA-N 1 3 358.530 2.289 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](OCC)[C@@]23CCCO3)[C@@H](C)C1 ZINC000546163061 562634515 /nfs/dbraw/zinc/63/45/15/562634515.db2.gz DEHXBOYTDFTQEU-UHZRXMQZSA-N 1 3 354.535 2.440 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@H](OCC)[C@@]23CCCO3)[C@@H](C)C1 ZINC000546163061 562634516 /nfs/dbraw/zinc/63/45/16/562634516.db2.gz DEHXBOYTDFTQEU-UHZRXMQZSA-N 1 3 354.535 2.440 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000669110403 567880240 /nfs/dbraw/zinc/88/02/40/567880240.db2.gz KVLRPVUDTIMRCA-SFHLNBCPSA-N 1 3 370.541 2.381 20 0 FEADHO CCN(CC)Cc1ccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000602197238 567950313 /nfs/dbraw/zinc/95/03/13/567950313.db2.gz YUXBQGIRZLHQGH-INIZCTEOSA-N 1 3 362.518 2.020 20 0 FEADHO COC(=O)CCNC(=O)CCN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602727095 568024204 /nfs/dbraw/zinc/02/42/04/568024204.db2.gz ZMFDRHFIYPRGTC-MJGOQNOKSA-N 1 3 373.497 2.014 20 0 FEADHO COC(=O)CCNC(=O)CCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602727095 568024205 /nfs/dbraw/zinc/02/42/05/568024205.db2.gz ZMFDRHFIYPRGTC-MJGOQNOKSA-N 1 3 373.497 2.014 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000636873202 568140174 /nfs/dbraw/zinc/14/01/74/568140174.db2.gz LDTHAUORDJYVMG-MOPGFXCFSA-N 1 3 359.518 2.220 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000604191100 568223599 /nfs/dbraw/zinc/22/35/99/568223599.db2.gz FUHGECIENDGVNZ-RTBURBONSA-N 1 3 356.514 2.087 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000604191100 568223600 /nfs/dbraw/zinc/22/36/00/568223600.db2.gz FUHGECIENDGVNZ-RTBURBONSA-N 1 3 356.514 2.087 20 0 FEADHO C[C@@H](CNC(=O)CC1(N2CCOCC2)CCCC1)[NH+]1CCC(C)CC1 ZINC000561863685 674704517 /nfs/dbraw/zinc/70/45/17/674704517.db2.gz REACQPBONIKXOD-SFHVURJKSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CN(C)C ZINC000813878194 674787298 /nfs/dbraw/zinc/78/72/98/674787298.db2.gz LFLQZABACNLSEG-HYVNUMGLSA-N 1 3 355.523 2.188 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000083052826 670653747 /nfs/dbraw/zinc/65/37/47/670653747.db2.gz YFBAHWXXPBIYCY-IRXDYDNUSA-N 1 3 351.926 2.331 20 0 FEADHO O[C@H](CNCCC[NH+]1CCC(O)CC1)Cc1ccccc1C(F)(F)F ZINC000565660028 675141273 /nfs/dbraw/zinc/14/12/73/675141273.db2.gz WLICJATZGGMJGX-INIZCTEOSA-N 1 3 360.420 2.045 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000580297122 671795997 /nfs/dbraw/zinc/79/59/97/671795997.db2.gz MVVSEBJGBKDSAG-QAPCUYQASA-N 1 3 362.543 2.397 20 0 FEADHO NCc1cn([C@H]2CCC[N@H+](CCC(=O)Nc3cccc(Cl)c3)C2)nn1 ZINC000581122118 671865625 /nfs/dbraw/zinc/86/56/25/671865625.db2.gz RNNHVBYYJFXVGZ-INIZCTEOSA-N 1 3 362.865 2.056 20 0 FEADHO NCc1cn([C@H]2CCC[N@@H+](CCC(=O)Nc3cccc(Cl)c3)C2)nn1 ZINC000581122118 671865628 /nfs/dbraw/zinc/86/56/28/671865628.db2.gz RNNHVBYYJFXVGZ-INIZCTEOSA-N 1 3 362.865 2.056 20 0 FEADHO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000581671876 671923951 /nfs/dbraw/zinc/92/39/51/671923951.db2.gz MZSIWWSGLKVFRX-CQSZACIVSA-N 1 3 359.495 2.173 20 0 FEADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H]1CCCO1 ZINC000581893580 671947543 /nfs/dbraw/zinc/94/75/43/671947543.db2.gz VSYAIOUGZAMEMO-RBUKOAKNSA-N 1 3 351.535 2.257 20 0 FEADHO CC[C@@H](C)[C@@](C)(O)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000582428877 672001531 /nfs/dbraw/zinc/00/15/31/672001531.db2.gz CEILUIXVMBQYOJ-UZLBHIALSA-N 1 3 353.551 2.096 20 0 FEADHO C[C@@H]1C[NH+](CC2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C[C@@H](C)O1 ZINC000582803251 672035485 /nfs/dbraw/zinc/03/54/85/672035485.db2.gz UQVIRVJZGLTRJL-IAGOWNOFSA-N 1 3 351.535 2.066 20 0 FEADHO CC(C)[C@H]1CC(=O)N(CN2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000183521448 672470840 /nfs/dbraw/zinc/47/08/40/672470840.db2.gz SFYOSFUIVPWRKL-IBGZPJMESA-N 1 3 351.535 2.273 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C[C@H](C)O1 ZINC000589645904 672537453 /nfs/dbraw/zinc/53/74/53/672537453.db2.gz GUUXDRMNPHAAGR-IYBDPMFKSA-N 1 3 369.531 2.037 20 0 FEADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000327491668 673060695 /nfs/dbraw/zinc/06/06/95/673060695.db2.gz NZCGRWUOKAUSEB-DOTOQJQBSA-N 1 3 355.404 2.482 20 0 FEADHO CSC1(CNC(=O)N2CCN(C3CCCC3)CC2)CC[NH+](C)CC1 ZINC000462514540 673257170 /nfs/dbraw/zinc/25/71/70/673257170.db2.gz QBARJFKPTIGJHF-UHFFFAOYSA-N 1 3 354.564 2.084 20 0 FEADHO CSCC[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000595946114 673342566 /nfs/dbraw/zinc/34/25/66/673342566.db2.gz IZDFQQUPBTYPSD-MSOLQXFVSA-N 1 3 361.555 2.485 20 0 FEADHO CSCC[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595946114 673342567 /nfs/dbraw/zinc/34/25/67/673342567.db2.gz IZDFQQUPBTYPSD-MSOLQXFVSA-N 1 3 361.555 2.485 20 0 FEADHO CSC1(CNC(=O)Nc2ccc3c(c2)OCCNC3)CC[NH+](C)CC1 ZINC000599614067 673697909 /nfs/dbraw/zinc/69/79/09/673697909.db2.gz QQYDICNVBZBFDG-UHFFFAOYSA-N 1 3 364.515 2.118 20 0 FEADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@]1(O)CC[N@H+](C)C1 ZINC000545157591 673747500 /nfs/dbraw/zinc/74/75/00/673747500.db2.gz CVBYNESUAUFFGR-BLLLJJGKSA-N 1 3 359.392 2.079 20 0 FEADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000545157591 673747504 /nfs/dbraw/zinc/74/75/04/673747504.db2.gz CVBYNESUAUFFGR-BLLLJJGKSA-N 1 3 359.392 2.079 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)COCc2ccc(OC)cc2)[C@H](C)C1 ZINC000746471148 673880039 /nfs/dbraw/zinc/88/00/39/673880039.db2.gz KZTOGKFLHBDRBC-KPFFTGBYSA-N 1 3 350.503 2.235 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)COCc2ccc(OC)cc2)[C@H](C)C1 ZINC000746471148 673880040 /nfs/dbraw/zinc/88/00/40/673880040.db2.gz KZTOGKFLHBDRBC-KPFFTGBYSA-N 1 3 350.503 2.235 20 0 FEADHO O=C(CC[NH2+]C1CC1)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000566805847 675244281 /nfs/dbraw/zinc/24/42/81/675244281.db2.gz LGPBFCXQWDKXIQ-UHFFFAOYSA-N 1 3 365.905 2.442 20 0 FEADHO C[C@@](O)(C[NH2+]CCCCN1CCN(c2ccccc2)CC1)C(F)(F)F ZINC000567677893 675311588 /nfs/dbraw/zinc/31/15/88/675311588.db2.gz DEMMVFMGSKLFDM-QGZVFWFLSA-N 1 3 359.436 2.492 20 0 FEADHO C[NH+](C)CCN(C(=O)CC1(N2CCOCC2)CCCC1)C1CCCC1 ZINC000607050549 675851463 /nfs/dbraw/zinc/85/14/63/675851463.db2.gz WXISFRCGJHAARR-UHFFFAOYSA-N 1 3 351.535 2.354 20 0 FEADHO CC(C)c1ncc(Cl)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000617504679 676289093 /nfs/dbraw/zinc/28/90/93/676289093.db2.gz FLQDQAVOABUYOI-ZDUSSCGKSA-N 1 3 355.914 2.255 20 0 FEADHO CC(C)c1ncc(Cl)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000617504679 676289094 /nfs/dbraw/zinc/28/90/94/676289094.db2.gz FLQDQAVOABUYOI-ZDUSSCGKSA-N 1 3 355.914 2.255 20 0 FEADHO CC(C)[NH+]1CCC(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)CC1 ZINC000620915570 676434532 /nfs/dbraw/zinc/43/45/32/676434532.db2.gz MJSWICNXGPDTRX-SFHVURJKSA-N 1 3 351.535 2.209 20 0 FEADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000624119571 676565470 /nfs/dbraw/zinc/56/54/70/676565470.db2.gz FGGPACBOQGCJBM-HZPDHXFCSA-N 1 3 353.532 2.319 20 0 FEADHO C[C@H]1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C[NH2+]1 ZINC000627195570 676743305 /nfs/dbraw/zinc/74/33/05/676743305.db2.gz MFUVLMBKCIFGFD-BBRMVZONSA-N 1 3 354.445 2.179 20 0 FEADHO C[C@H]1CC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C[NH2+]1 ZINC000627195574 676743395 /nfs/dbraw/zinc/74/33/95/676743395.db2.gz MFUVLMBKCIFGFD-XJKSGUPXSA-N 1 3 354.445 2.179 20 0 FEADHO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NCCOCCC[NH3+])cc1 ZINC000629534685 676858684 /nfs/dbraw/zinc/85/86/84/676858684.db2.gz ALLMZUJXMYIINA-MSOLQXFVSA-N 1 3 354.516 2.035 20 0 FEADHO C[NH+]1CCC(N2CC[C@@H](NCc3ccncc3Br)C2)CC1 ZINC000631070078 676931949 /nfs/dbraw/zinc/93/19/49/676931949.db2.gz LUHOMENKKJIMJQ-CQSZACIVSA-N 1 3 353.308 2.102 20 0 FEADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)CC2(O)CCOCC2)[C@H]1c1cccs1 ZINC000634706443 677080239 /nfs/dbraw/zinc/08/02/39/677080239.db2.gz PLVJEGKODUEANU-RYRKJORJSA-N 1 3 368.543 2.013 20 0 FEADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)CC2(O)CCOCC2)[C@H]1c1cccs1 ZINC000634706443 677080240 /nfs/dbraw/zinc/08/02/40/677080240.db2.gz PLVJEGKODUEANU-RYRKJORJSA-N 1 3 368.543 2.013 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC(F)(F)CC3)CC2)CC1 ZINC000636680831 677123949 /nfs/dbraw/zinc/12/39/49/677123949.db2.gz PNBKVIHUGSBHNL-UHFFFAOYSA-N 1 3 358.477 2.376 20 0 FEADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccc(S(N)(=O)=O)s2)C1 ZINC000638369327 677144091 /nfs/dbraw/zinc/14/40/91/677144091.db2.gz GCSUHVUKNCABEI-KBPBESRZSA-N 1 3 359.561 2.243 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000638728235 677149430 /nfs/dbraw/zinc/14/94/30/677149430.db2.gz LIEYVHFARUPYPP-QZTJIDSGSA-N 1 3 351.535 2.116 20 0 FEADHO COCCOc1cc(C)ccc1C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638765362 677149877 /nfs/dbraw/zinc/14/98/77/677149877.db2.gz LZKLUEXRGVWMRJ-UHFFFAOYSA-N 1 3 350.503 2.345 20 0 FEADHO CN(C)CCn1nccc1NC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000640175547 677174697 /nfs/dbraw/zinc/17/46/97/677174697.db2.gz VEIZCCOYANXFSN-UHFFFAOYSA-N 1 3 350.511 2.175 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nsc2ccccc12 ZINC000641836510 677216560 /nfs/dbraw/zinc/21/65/60/677216560.db2.gz WHKYKADPMGDAID-AWEZNQCLSA-N 1 3 363.531 2.368 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nsc2ccccc12 ZINC000641836510 677216561 /nfs/dbraw/zinc/21/65/61/677216561.db2.gz WHKYKADPMGDAID-AWEZNQCLSA-N 1 3 363.531 2.368 20 0 FEADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NC/C=C\C[NH3+] ZINC000641865107 677216877 /nfs/dbraw/zinc/21/68/77/677216877.db2.gz PEIFTQGMOUFMFG-ARJAWSKDSA-N 1 3 369.307 2.037 20 0 FEADHO C[C@@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000643468710 677226935 /nfs/dbraw/zinc/22/69/35/677226935.db2.gz JLEDYYKKXGULPB-APWZRJJASA-N 1 3 365.543 2.208 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647308670 677300178 /nfs/dbraw/zinc/30/01/78/677300178.db2.gz SPZRLOAWXQNHIJ-QZTJIDSGSA-N 1 3 365.543 2.149 20 0 FEADHO CC(C)N(C)C[C@H](O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000647969700 677309609 /nfs/dbraw/zinc/30/96/09/677309609.db2.gz LFKASXQJKZYEEB-CYBMUJFWSA-N 1 3 374.323 2.292 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652310844 677478892 /nfs/dbraw/zinc/47/88/92/677478892.db2.gz VPPNHTAOQKKTID-UHFFFAOYSA-N 1 3 350.482 2.289 20 0 FEADHO c1csc([C@@H](NCC2CC[NH+](C3CCOCC3)CC2)c2nnc[nH]2)c1 ZINC000658071481 678056555 /nfs/dbraw/zinc/05/65/55/678056555.db2.gz XFXBVJABJWQLLH-QGZVFWFLSA-N 1 3 361.515 2.436 20 0 FEADHO FC1(F)C[C@@H]1OCCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326859 678605676 /nfs/dbraw/zinc/60/56/76/678605676.db2.gz FBGOMEGXSXPBSZ-KRWDZBQOSA-N 1 3 354.445 2.480 20 0 FEADHO FC1(F)C[C@@H]1OCCN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326859 678605679 /nfs/dbraw/zinc/60/56/79/678605679.db2.gz FBGOMEGXSXPBSZ-KRWDZBQOSA-N 1 3 354.445 2.480 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(s2)CCNC3)[C@@H](C)C1 ZINC000662461843 678624375 /nfs/dbraw/zinc/62/43/75/678624375.db2.gz FGTGOJWOBUXTCD-GOEBONIOSA-N 1 3 365.543 2.261 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc3c(s2)CCNC3)[C@@H](C)C1 ZINC000662461843 678624378 /nfs/dbraw/zinc/62/43/78/678624378.db2.gz FGTGOJWOBUXTCD-GOEBONIOSA-N 1 3 365.543 2.261 20 0 FEADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000662865757 678668038 /nfs/dbraw/zinc/66/80/38/678668038.db2.gz GGOGRSDHQPXSOU-FHKFTOANSA-N 1 3 351.441 2.399 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000665400647 678958367 /nfs/dbraw/zinc/95/83/67/678958367.db2.gz WEMYZIVKTWOWGA-LBPRGKRZSA-N 1 3 370.881 2.462 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000665400647 678958368 /nfs/dbraw/zinc/95/83/68/678958368.db2.gz WEMYZIVKTWOWGA-LBPRGKRZSA-N 1 3 370.881 2.462 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(c2cccc(F)c2)CC1 ZINC000665758975 678981784 /nfs/dbraw/zinc/98/17/84/678981784.db2.gz VWMAOQSUACZDJI-HNNXBMFYSA-N 1 3 350.482 2.386 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(c2cccc(F)c2)CC1 ZINC000665758975 678981785 /nfs/dbraw/zinc/98/17/85/678981785.db2.gz VWMAOQSUACZDJI-HNNXBMFYSA-N 1 3 350.482 2.386 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000666810676 679046752 /nfs/dbraw/zinc/04/67/52/679046752.db2.gz SYSBSEYTZOAXSR-GJZGRUSLSA-N 1 3 350.511 2.248 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000666810676 679046754 /nfs/dbraw/zinc/04/67/54/679046754.db2.gz SYSBSEYTZOAXSR-GJZGRUSLSA-N 1 3 350.511 2.248 20 0 FEADHO CO[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000667642174 679120117 /nfs/dbraw/zinc/12/01/17/679120117.db2.gz QZUPDPRTPKFEJT-LJQANCHMSA-N 1 3 351.535 2.257 20 0 FEADHO [NH3+]CC[C@H](NC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C(F)F ZINC000669483943 679238303 /nfs/dbraw/zinc/23/83/03/679238303.db2.gz UDAOGPGWCQKKPI-JKSUJKDBSA-N 1 3 354.445 2.495 20 0 FEADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000670126551 679271785 /nfs/dbraw/zinc/27/17/85/679271785.db2.gz IMWXZEAGPFVVAQ-RDJZCZTQSA-N 1 3 350.894 2.479 20 0 FEADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000670126551 679271789 /nfs/dbraw/zinc/27/17/89/679271789.db2.gz IMWXZEAGPFVVAQ-RDJZCZTQSA-N 1 3 350.894 2.479 20 0 FEADHO C[C@H](NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000672884223 679398819 /nfs/dbraw/zinc/39/88/19/679398819.db2.gz QGYSCWDDURFFSX-KBXCAEBGSA-N 1 3 350.482 2.458 20 0 FEADHO CCCc1nc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001026853617 680351224 /nfs/dbraw/zinc/35/12/24/680351224.db2.gz LXLHHKDFIUVDNY-HLLBOEOZSA-N 1 3 364.559 2.374 20 0 FEADHO CCCc1nc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001026853617 680351230 /nfs/dbraw/zinc/35/12/30/680351230.db2.gz LXLHHKDFIUVDNY-HLLBOEOZSA-N 1 3 364.559 2.374 20 0 FEADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cc(F)ccc3F)C2)CC[N@@H+]1C ZINC000998796359 680390036 /nfs/dbraw/zinc/39/00/36/680390036.db2.gz MGMNTCAVPZUYDC-BOSFTKNMSA-N 1 3 351.441 2.384 20 0 FEADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cc(F)ccc3F)C2)CC[N@H+]1C ZINC000998796359 680390040 /nfs/dbraw/zinc/39/00/40/680390040.db2.gz MGMNTCAVPZUYDC-BOSFTKNMSA-N 1 3 351.441 2.384 20 0 FEADHO Cc1nc(CCN2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC001045445067 680630345 /nfs/dbraw/zinc/63/03/45/680630345.db2.gz RLXGYYYQPQQTFQ-RHSMWYFYSA-N 1 3 364.559 2.305 20 0 FEADHO Cc1nc(CCN2CCC(C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC001045445067 680630346 /nfs/dbraw/zinc/63/03/46/680630346.db2.gz RLXGYYYQPQQTFQ-RHSMWYFYSA-N 1 3 364.559 2.305 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc(Cl)n1 ZINC000841851560 680914642 /nfs/dbraw/zinc/91/46/42/680914642.db2.gz YLUCTLJFLYOORP-YESZJQIVSA-N 1 3 358.873 2.387 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(Cl)n1 ZINC000841857531 680915019 /nfs/dbraw/zinc/91/50/19/680915019.db2.gz UMQOSRCGZIQDCN-SQWLQELKSA-N 1 3 350.894 2.281 20 0 FEADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000847007011 681320048 /nfs/dbraw/zinc/32/00/48/681320048.db2.gz ALSBBNKUOAKITD-ULQDDVLXSA-N 1 3 357.539 2.314 20 0 FEADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000847007011 681320054 /nfs/dbraw/zinc/32/00/54/681320054.db2.gz ALSBBNKUOAKITD-ULQDDVLXSA-N 1 3 357.539 2.314 20 0 FEADHO COC(=O)CCC[NH+]1CCC(NC[C@@H](O)c2c(F)cccc2F)CC1 ZINC000775634608 681320206 /nfs/dbraw/zinc/32/02/06/681320206.db2.gz VKUUFQKACUUBPR-MRXNPFEDSA-N 1 3 356.413 2.005 20 0 FEADHO C[C@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000914350655 685505052 /nfs/dbraw/zinc/50/50/52/685505052.db2.gz VJIOEFHXCLHLDK-SCTDSRPQSA-N 1 3 369.575 2.045 20 0 FEADHO C[C@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000914350655 685505053 /nfs/dbraw/zinc/50/50/53/685505053.db2.gz VJIOEFHXCLHLDK-SCTDSRPQSA-N 1 3 369.575 2.045 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000855345954 682659960 /nfs/dbraw/zinc/65/99/60/682659960.db2.gz LBIIPWXZIMTDNW-YOEHRIQHSA-N 1 3 355.910 2.152 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000855345954 682659964 /nfs/dbraw/zinc/65/99/64/682659964.db2.gz LBIIPWXZIMTDNW-YOEHRIQHSA-N 1 3 355.910 2.152 20 0 FEADHO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000858526142 682976736 /nfs/dbraw/zinc/97/67/36/682976736.db2.gz UCPLFUGPEYCSMR-QGZVFWFLSA-N 1 3 353.507 2.086 20 0 FEADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000926119509 683078892 /nfs/dbraw/zinc/07/88/92/683078892.db2.gz KXKMBUYBAGHJGO-XYJFISCASA-N 1 3 371.591 2.289 20 0 FEADHO C[NH+]1CCC(CN[C@@H]2CCc3c2nccc3Cl)(N2CCOCC2)CC1 ZINC000926574883 683148382 /nfs/dbraw/zinc/14/83/82/683148382.db2.gz AEVCJZUNZBQIDT-QGZVFWFLSA-N 1 3 364.921 2.109 20 0 FEADHO C[NH+]1CCC(OCC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000929473496 683601582 /nfs/dbraw/zinc/60/15/82/683601582.db2.gz MQHOWKOMPKZVIP-INIZCTEOSA-N 1 3 351.516 2.112 20 0 FEADHO CCCC[N@H+](CCCN1C(=O)CNC1=O)C1CC(C)(C)NC(C)(C)C1 ZINC000931034359 683821962 /nfs/dbraw/zinc/82/19/62/683821962.db2.gz RTSHPOAFKCGJKH-UHFFFAOYSA-N 1 3 352.523 2.340 20 0 FEADHO CCCC[N@@H+](CCCN1C(=O)CNC1=O)C1CC(C)(C)NC(C)(C)C1 ZINC000931034359 683821965 /nfs/dbraw/zinc/82/19/65/683821965.db2.gz RTSHPOAFKCGJKH-UHFFFAOYSA-N 1 3 352.523 2.340 20 0 FEADHO Cc1ccnc(CNCCCC[NH+]2CCN(C)CC2)c1Br ZINC000865412249 683980490 /nfs/dbraw/zinc/98/04/90/683980490.db2.gz LUIGFLFZRXVJSB-UHFFFAOYSA-N 1 3 355.324 2.270 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCC2(CCC2)O1 ZINC000923199082 684239508 /nfs/dbraw/zinc/23/95/08/684239508.db2.gz NDZPALFOOJHOEJ-IRXDYDNUSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCC2(CCC2)O1 ZINC000923199082 684239510 /nfs/dbraw/zinc/23/95/10/684239510.db2.gz NDZPALFOOJHOEJ-IRXDYDNUSA-N 1 3 354.539 2.049 20 0 FEADHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1ccccc1Br ZINC000923518737 684296129 /nfs/dbraw/zinc/29/61/29/684296129.db2.gz MTNARSIFNNSHJA-QWHCGFSZSA-N 1 3 352.276 2.319 20 0 FEADHO CC1(C)[C@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)[C@@H]2CCCN[C@@H]21 ZINC000925484253 684565294 /nfs/dbraw/zinc/56/52/94/684565294.db2.gz DCYKCRRJXBLBBB-FGTMMUONSA-N 1 3 350.528 2.358 20 0 FEADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876743165 686258405 /nfs/dbraw/zinc/25/84/05/686258405.db2.gz AWYHTNAPFHUBDD-ZFWWWQNUSA-N 1 3 355.454 2.322 20 0 FEADHO CC(C)[NH+]1CCN(CCCN2CC[C@H](C(F)(F)F)O[C@H](C)C2)CC1 ZINC000880063364 686991035 /nfs/dbraw/zinc/99/10/35/686991035.db2.gz ZTQLPKDNXCYSBH-HZPDHXFCSA-N 1 3 351.457 2.444 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N(CC[NH3+])Cc2cccc(Cl)c2)CN1C1CC1 ZINC000891660065 689088951 /nfs/dbraw/zinc/08/89/51/689088951.db2.gz IKOYETJCSZUSHC-BBRMVZONSA-N 1 3 350.894 2.436 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CN[C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000892598414 689217018 /nfs/dbraw/zinc/21/70/18/689217018.db2.gz ZYFFFIKUIWUIPH-AEFFLSMTSA-N 1 3 368.543 2.320 20 0 FEADHO CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H](c2cccs2)N(C)C)CC1 ZINC000899958990 690450688 /nfs/dbraw/zinc/45/06/88/690450688.db2.gz RRSQOMXIZFKQSV-KRWDZBQOSA-N 1 3 366.575 2.273 20 0 FEADHO CN(CC(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1)C1CCC1 ZINC000907992649 691594536 /nfs/dbraw/zinc/59/45/36/691594536.db2.gz LWMCPDWWWDNPLC-SFHVURJKSA-N 1 3 353.551 2.191 20 0 FEADHO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(N)n1)CC2 ZINC001164783632 721454919 /nfs/dbraw/zinc/45/49/19/721454919.db2.gz CLZVZZWTGKMRJQ-SFHVURJKSA-N 1 3 374.529 2.398 20 0 FEADHO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(N)n1)CC2 ZINC001164783632 721454921 /nfs/dbraw/zinc/45/49/21/721454921.db2.gz CLZVZZWTGKMRJQ-SFHVURJKSA-N 1 3 374.529 2.398 20 0 FEADHO CN(C)c1cc[nH+]c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982098 722115243 /nfs/dbraw/zinc/11/52/43/722115243.db2.gz VXWANBXMACZHSQ-QUCCMNQESA-N 1 3 367.497 2.270 20 0 FEADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000050136829 540400942 /nfs/dbraw/zinc/40/09/42/540400942.db2.gz PHGDCGRAEVNWKR-JKSUJKDBSA-N 1 3 350.532 2.354 20 0 FEADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000050136829 540400945 /nfs/dbraw/zinc/40/09/45/540400945.db2.gz PHGDCGRAEVNWKR-JKSUJKDBSA-N 1 3 350.532 2.354 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)CC1 ZINC000050802192 540415474 /nfs/dbraw/zinc/41/54/74/540415474.db2.gz MTBKZJBOZXCZNA-UHFFFAOYSA-N 1 3 365.905 2.394 20 0 FEADHO Cc1cccc(O[C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050802809 540415587 /nfs/dbraw/zinc/41/55/87/540415587.db2.gz HBRCRPPHYCPXSL-KRWDZBQOSA-N 1 3 359.514 2.437 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3c3ccncc3)CC2)CC1 ZINC000051758960 540443796 /nfs/dbraw/zinc/44/37/96/540443796.db2.gz AFDYIKFSTDBJTP-HXUWFJFHSA-N 1 3 371.529 2.487 20 0 FEADHO C[C@@H]1c2cccn2CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759860 540443804 /nfs/dbraw/zinc/44/38/04/540443804.db2.gz COZKSOKBIVJNAU-MRXNPFEDSA-N 1 3 359.518 2.133 20 0 FEADHO COc1cccc(OC)c1OC[C@@H](O)C[N@H+](C)C1CCN(C(C)C)CC1 ZINC000063652088 541177073 /nfs/dbraw/zinc/17/70/73/541177073.db2.gz REIIYZRKQCUYFP-KRWDZBQOSA-N 1 3 366.502 2.248 20 0 FEADHO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000063652088 541177076 /nfs/dbraw/zinc/17/70/76/541177076.db2.gz REIIYZRKQCUYFP-KRWDZBQOSA-N 1 3 366.502 2.248 20 0 FEADHO CCCC[N@H+](C)CC1CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000064508790 541209055 /nfs/dbraw/zinc/20/90/55/541209055.db2.gz FXPWNCCCZJQCPL-UHFFFAOYSA-N 1 3 364.578 2.173 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000064508790 541209057 /nfs/dbraw/zinc/20/90/57/541209057.db2.gz FXPWNCCCZJQCPL-UHFFFAOYSA-N 1 3 364.578 2.173 20 0 FEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000074350744 542072481 /nfs/dbraw/zinc/07/24/81/542072481.db2.gz BVXZAUVDHUULFH-UXHICEINSA-N 1 3 356.514 2.387 20 0 FEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000074350744 542072484 /nfs/dbraw/zinc/07/24/84/542072484.db2.gz BVXZAUVDHUULFH-UXHICEINSA-N 1 3 356.514 2.387 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C1CCN(CCc2ccncc2)CC1 ZINC000074493932 542089938 /nfs/dbraw/zinc/08/99/38/542089938.db2.gz IAMKLYMVBKIDJO-FQEVSTJZSA-N 1 3 373.545 2.214 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=O)N(C)C1CCN(CCc2ccncc2)CC1 ZINC000074493932 542089942 /nfs/dbraw/zinc/08/99/42/542089942.db2.gz IAMKLYMVBKIDJO-FQEVSTJZSA-N 1 3 373.545 2.214 20 0 FEADHO C[NH+](C)CC[C@@H](NC(=O)N1CCN(CC2CCOCC2)CC1)C(C)(C)C ZINC000077604399 542401903 /nfs/dbraw/zinc/40/19/03/542401903.db2.gz PTLLRCHYKZNMOM-GOSISDBHSA-N 1 3 368.566 2.107 20 0 FEADHO C[C@@H](CNC(=O)NCC1(N2CCSCC2)CCCC1)C[NH+]1CCCC1 ZINC000080015004 542558063 /nfs/dbraw/zinc/55/80/63/542558063.db2.gz AJFCKKANNAHPLC-KRWDZBQOSA-N 1 3 368.591 2.379 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](N(C)Cc3ccccc3)C2)CC1 ZINC000081532229 542663416 /nfs/dbraw/zinc/66/34/16/542663416.db2.gz NSNRNQQOXHEFNA-NRFANRHFSA-N 1 3 372.557 2.182 20 0 FEADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CCOCC1 ZINC000090028308 542780716 /nfs/dbraw/zinc/78/07/16/542780716.db2.gz HKDLGDSPBGRWBF-QGZVFWFLSA-N 1 3 359.514 2.417 20 0 FEADHO C[C@@H]1C[C@@H](NC[C@H]2CCCN2S(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000090799411 542788538 /nfs/dbraw/zinc/78/85/38/542788538.db2.gz ONOJRBWLDPTSOV-NZSAHSFTSA-N 1 3 365.543 2.053 20 0 FEADHO C[C@@H]1C[C@@H](NC[C@H]2CCCN2S(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000090799411 542788541 /nfs/dbraw/zinc/78/85/41/542788541.db2.gz ONOJRBWLDPTSOV-NZSAHSFTSA-N 1 3 365.543 2.053 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(C)Cc4ccccc4C3)CC2)CC1 ZINC000092220830 542849709 /nfs/dbraw/zinc/84/97/09/542849709.db2.gz TZUADODPYRLJCA-UHFFFAOYSA-N 1 3 370.541 2.402 20 0 FEADHO CCN1CCN([C@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3C)C2)CC1 ZINC000093132735 542910391 /nfs/dbraw/zinc/91/03/91/542910391.db2.gz JMKJTGHTTLVMTO-NRFANRHFSA-N 1 3 353.514 2.393 20 0 FEADHO CCN1CCN([C@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nc3C)C2)CC1 ZINC000093132735 542910393 /nfs/dbraw/zinc/91/03/93/542910393.db2.gz JMKJTGHTTLVMTO-NRFANRHFSA-N 1 3 353.514 2.393 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](C(=O)NC)C2)CC1 ZINC000093360832 542929412 /nfs/dbraw/zinc/92/94/12/542929412.db2.gz ZCSYXQCKANIGIL-IBGZPJMESA-N 1 3 358.530 2.177 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](C(=O)NC)C2)CC1 ZINC000093360832 542929416 /nfs/dbraw/zinc/92/94/16/542929416.db2.gz ZCSYXQCKANIGIL-IBGZPJMESA-N 1 3 358.530 2.177 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000103213201 543097349 /nfs/dbraw/zinc/09/73/49/543097349.db2.gz GUDDNVQCVKALPZ-UHFFFAOYSA-N 1 3 363.893 2.091 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Br)c(F)c1 ZINC000103212635 543097568 /nfs/dbraw/zinc/09/75/68/543097568.db2.gz OBQXMXFMMUCXFS-UHFFFAOYSA-N 1 3 360.271 2.154 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000107387589 543269657 /nfs/dbraw/zinc/26/96/57/543269657.db2.gz QLJZMGUSPGFJRH-UHFFFAOYSA-N 1 3 369.513 2.417 20 0 FEADHO CC[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000108552546 543294068 /nfs/dbraw/zinc/29/40/68/543294068.db2.gz RGXRSUQKKQPKPP-YLJYHZDGSA-N 1 3 358.530 2.464 20 0 FEADHO CC[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000108552546 543294072 /nfs/dbraw/zinc/29/40/72/543294072.db2.gz RGXRSUQKKQPKPP-YLJYHZDGSA-N 1 3 358.530 2.464 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111313857 543395768 /nfs/dbraw/zinc/39/57/68/543395768.db2.gz AOZQFUCRVDFHRU-ZEDDUWKQSA-N 1 3 371.525 2.143 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3OCCc4ccccc43)CC2)CC1 ZINC000115351956 543561615 /nfs/dbraw/zinc/56/16/15/543561615.db2.gz NCWUTNHUTAALIP-NRFANRHFSA-N 1 3 371.525 2.365 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000115794989 543585664 /nfs/dbraw/zinc/58/56/64/543585664.db2.gz NTLFUISBDDOODE-GOSISDBHSA-N 1 3 362.518 2.110 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000115794989 543585667 /nfs/dbraw/zinc/58/56/67/543585667.db2.gz NTLFUISBDDOODE-GOSISDBHSA-N 1 3 362.518 2.110 20 0 FEADHO O=C(CN1CC[C@@H](Cc2ccc(F)cc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000121322350 543692409 /nfs/dbraw/zinc/69/24/09/543692409.db2.gz DELKLXHNTOAAQB-KRWDZBQOSA-N 1 3 359.489 2.433 20 0 FEADHO Cc1nc(-c2cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c2)no1 ZINC000119974831 543673722 /nfs/dbraw/zinc/67/37/22/543673722.db2.gz LKBHBYLSUMIYJV-UHFFFAOYSA-N 1 3 360.462 2.002 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000124988634 543855047 /nfs/dbraw/zinc/85/50/47/543855047.db2.gz UZMANMNLKFKYPP-NZSAHSFTSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000124988634 543855050 /nfs/dbraw/zinc/85/50/50/543855050.db2.gz UZMANMNLKFKYPP-NZSAHSFTSA-N 1 3 356.514 2.433 20 0 FEADHO C[NH+](C)C[C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000129981181 544134366 /nfs/dbraw/zinc/13/43/66/544134366.db2.gz ZCPSIHCSYJXGPG-KRWDZBQOSA-N 1 3 368.591 2.331 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@]2(CCO)CCOC2)CC1 ZINC000134423495 544307344 /nfs/dbraw/zinc/30/73/44/544307344.db2.gz YOVPDVVULUFLSV-OAQYLSRUSA-N 1 3 361.530 2.097 20 0 FEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000136608518 544375407 /nfs/dbraw/zinc/37/54/07/544375407.db2.gz BSXPUDWCQXPLDC-INIZCTEOSA-N 1 3 362.518 2.262 20 0 FEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000136608518 544375410 /nfs/dbraw/zinc/37/54/10/544375410.db2.gz BSXPUDWCQXPLDC-INIZCTEOSA-N 1 3 362.518 2.262 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)CN1Cc1ccccc1 ZINC000151181135 544514371 /nfs/dbraw/zinc/51/43/71/544514371.db2.gz KPTLSJCQVQHVSD-IEBWSBKVSA-N 1 3 374.529 2.059 20 0 FEADHO COCCC[N@H+](C)CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000152354329 544642462 /nfs/dbraw/zinc/64/24/62/544642462.db2.gz DFDSIWNMNMFQDU-SFHVURJKSA-N 1 3 365.493 2.122 20 0 FEADHO COCCC[N@@H+](C)CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000152354329 544642466 /nfs/dbraw/zinc/64/24/66/544642466.db2.gz DFDSIWNMNMFQDU-SFHVURJKSA-N 1 3 365.493 2.122 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@H]3CCCOC3)CC2)CC1 ZINC000553090939 674238494 /nfs/dbraw/zinc/23/84/94/674238494.db2.gz FHXMZEIWHWCRCX-QGZVFWFLSA-N 1 3 351.535 2.068 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)ccn1 ZINC000183162103 327804810 /nfs/dbraw/zinc/80/48/10/327804810.db2.gz ABIGPCAVJULWPB-GOSISDBHSA-N 1 3 360.502 2.113 20 0 FEADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1(C)C ZINC000188065539 328063507 /nfs/dbraw/zinc/06/35/07/328063507.db2.gz XDAKKUAGIFELQY-GHTZIAJQSA-N 1 3 359.514 2.431 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)c2[nH]nc3c2CNCC3)CC[N@@H+]1Cc1ccccc1 ZINC000188765784 328109575 /nfs/dbraw/zinc/10/95/75/328109575.db2.gz JBXXDSSMEOLONO-NVXWUHKLSA-N 1 3 367.497 2.181 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)c2[nH]nc3c2CNCC3)CC[N@H+]1Cc1ccccc1 ZINC000188765784 328109577 /nfs/dbraw/zinc/10/95/77/328109577.db2.gz JBXXDSSMEOLONO-NVXWUHKLSA-N 1 3 367.497 2.181 20 0 FEADHO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCN4CCC3CC4)cc2)CC1 ZINC000188834176 328113388 /nfs/dbraw/zinc/11/33/88/328113388.db2.gz KXEZWTQOCOWYRC-UHFFFAOYSA-N 1 3 356.514 2.137 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189144387 328131103 /nfs/dbraw/zinc/13/11/03/328131103.db2.gz QVNURWCHCQYTAV-GOSISDBHSA-N 1 3 373.520 2.434 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000189415114 328146757 /nfs/dbraw/zinc/14/67/57/328146757.db2.gz FBWALDOPPHWFMA-UHFFFAOYSA-N 1 3 372.513 2.210 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)CC3CC[NH2+]CC3)CC2)c1 ZINC000237720322 328526133 /nfs/dbraw/zinc/52/61/33/328526133.db2.gz JHIRKQROCDQFET-UHFFFAOYSA-N 1 3 372.557 2.403 20 0 FEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088508360 325295937 /nfs/dbraw/zinc/29/59/37/325295937.db2.gz DYASGTGVIHXPEG-IAGOWNOFSA-N 1 3 350.507 2.473 20 0 FEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088508360 325295938 /nfs/dbraw/zinc/29/59/38/325295938.db2.gz DYASGTGVIHXPEG-IAGOWNOFSA-N 1 3 350.507 2.473 20 0 FEADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091233307 325381937 /nfs/dbraw/zinc/38/19/37/325381937.db2.gz AGNUVFIWPLRAJY-GOSISDBHSA-N 1 3 359.518 2.281 20 0 FEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091233307 325381939 /nfs/dbraw/zinc/38/19/39/325381939.db2.gz AGNUVFIWPLRAJY-GOSISDBHSA-N 1 3 359.518 2.281 20 0 FEADHO C[NH+]1CCC(CNC(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000112215795 325761450 /nfs/dbraw/zinc/76/14/50/325761450.db2.gz BAADYIFPANFOGP-UHFFFAOYSA-N 1 3 368.591 2.379 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(Cl)n3)CC2)CC1 ZINC000122159856 326386309 /nfs/dbraw/zinc/38/63/09/326386309.db2.gz UVOTUHBWJZERJA-UHFFFAOYSA-N 1 3 351.882 2.415 20 0 FEADHO CCN1CCN(CCC(=O)NC2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000122296739 326391381 /nfs/dbraw/zinc/39/13/81/326391381.db2.gz AXKFJBJWXVVDRJ-UHFFFAOYSA-N 1 3 372.557 2.103 20 0 FEADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000137221513 326659093 /nfs/dbraw/zinc/65/90/93/326659093.db2.gz IAODXXRRWLANEF-LJQANCHMSA-N 1 3 357.498 2.219 20 0 FEADHO Cc1cc([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cc(C)c1F ZINC000168960573 327087720 /nfs/dbraw/zinc/08/77/20/327087720.db2.gz SLTBZXVRAMGFIH-SFHVURJKSA-N 1 3 351.510 2.483 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000168938612 327087862 /nfs/dbraw/zinc/08/78/62/327087862.db2.gz GDIHJRQHCKAPSH-HXUWFJFHSA-N 1 3 373.541 2.413 20 0 FEADHO CC[NH+]1CCN(c2ccc(NC(=O)N3CCCN(C)CC3)c(C)c2)CC1 ZINC000170698890 327094764 /nfs/dbraw/zinc/09/47/64/327094764.db2.gz NWPMLOUNJPDSHD-UHFFFAOYSA-N 1 3 359.518 2.306 20 0 FEADHO COc1cc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1C ZINC000171170381 327122071 /nfs/dbraw/zinc/12/20/71/327122071.db2.gz RBUJIYISPQGYHD-UHFFFAOYSA-N 1 3 374.529 2.361 20 0 FEADHO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000173254177 327244281 /nfs/dbraw/zinc/24/42/81/327244281.db2.gz MZTYVCUPSKEUTF-PMACEKPBSA-N 1 3 354.498 2.479 20 0 FEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000173575346 327268023 /nfs/dbraw/zinc/26/80/23/327268023.db2.gz TWWRCNODSTVKEU-UHFFFAOYSA-N 1 3 359.470 2.335 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC2(N3CCSCC3)CCCC2)CC[N@@H+]1C ZINC000174015861 327301624 /nfs/dbraw/zinc/30/16/24/327301624.db2.gz QUUYQKMFFISRTQ-SJORKVTESA-N 1 3 368.591 2.472 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC2(N3CCSCC3)CCCC2)CC[N@H+]1C ZINC000174015861 327301625 /nfs/dbraw/zinc/30/16/25/327301625.db2.gz QUUYQKMFFISRTQ-SJORKVTESA-N 1 3 368.591 2.472 20 0 FEADHO CC[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1)N(CC)CC ZINC000265454530 329128633 /nfs/dbraw/zinc/12/86/33/329128633.db2.gz VGUNOTNSVNLYGC-HKUYNNGSSA-N 1 3 374.529 2.443 20 0 FEADHO CC[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1)N(CC)CC ZINC000265454530 329128635 /nfs/dbraw/zinc/12/86/35/329128635.db2.gz VGUNOTNSVNLYGC-HKUYNNGSSA-N 1 3 374.529 2.443 20 0 FEADHO O=C(NCCCN1CCC(O)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000265647700 329146344 /nfs/dbraw/zinc/14/63/44/329146344.db2.gz YEJGIBWMZOZEIL-UHFFFAOYSA-N 1 3 359.514 2.249 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000266729526 329253672 /nfs/dbraw/zinc/25/36/72/329253672.db2.gz BCSCJFXZSHXUEE-QFBILLFUSA-N 1 3 358.530 2.210 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[N@H+]1C ZINC000266729526 329253673 /nfs/dbraw/zinc/25/36/73/329253673.db2.gz BCSCJFXZSHXUEE-QFBILLFUSA-N 1 3 358.530 2.210 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000266776264 329258721 /nfs/dbraw/zinc/25/87/21/329258721.db2.gz GCNLRKHNRQPAMZ-MOPGFXCFSA-N 1 3 374.529 2.048 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000266776264 329258723 /nfs/dbraw/zinc/25/87/23/329258723.db2.gz GCNLRKHNRQPAMZ-MOPGFXCFSA-N 1 3 374.529 2.048 20 0 FEADHO C[NH+](C)C1CCN(CCNC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000267208205 329302804 /nfs/dbraw/zinc/30/28/04/329302804.db2.gz FKUMKYVPSQYZBV-UHFFFAOYSA-N 1 3 372.557 2.041 20 0 FEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000270984505 329651790 /nfs/dbraw/zinc/65/17/90/329651790.db2.gz WCNXICRCIAHQBL-LJQANCHMSA-N 1 3 372.557 2.387 20 0 FEADHO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CCC1 ZINC000275793792 330089805 /nfs/dbraw/zinc/08/98/05/330089805.db2.gz HSJNMWZZCNEHCO-UHFFFAOYSA-N 1 3 372.513 2.212 20 0 FEADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000276384681 330147405 /nfs/dbraw/zinc/14/74/05/330147405.db2.gz XGGNQYISSWWSHL-UHFFFAOYSA-N 1 3 362.518 2.267 20 0 FEADHO C[C@H]1CN(CCc2nc3ccccc3n2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367029670 330208953 /nfs/dbraw/zinc/20/89/53/330208953.db2.gz MYFSYKBEPVLRPH-PKOBYXMFSA-N 1 3 355.530 2.074 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4cccc(F)c4C3)CC2)CC1 ZINC000158559288 545871894 /nfs/dbraw/zinc/87/18/94/545871894.db2.gz AWYGZIHTPSALPX-UHFFFAOYSA-N 1 3 374.504 2.452 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000158686923 545884943 /nfs/dbraw/zinc/88/49/43/545884943.db2.gz OVKQNHNHYULIBL-CTNGQTDRSA-N 1 3 372.557 2.213 20 0 FEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176350808 546434697 /nfs/dbraw/zinc/43/46/97/546434697.db2.gz ILWCXSOOGZKHOU-SFHVURJKSA-N 1 3 354.539 2.049 20 0 FEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176350808 546434698 /nfs/dbraw/zinc/43/46/98/546434698.db2.gz ILWCXSOOGZKHOU-SFHVURJKSA-N 1 3 354.539 2.049 20 0 FEADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000176627687 546469451 /nfs/dbraw/zinc/46/94/51/546469451.db2.gz RFDCECFSGWLPCF-SFHVURJKSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000480655672 561213712 /nfs/dbraw/zinc/21/37/12/561213712.db2.gz XDHYQQJUNIQWKO-GHTZIAJQSA-N 1 3 370.541 2.067 20 0 FEADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000480655672 561213713 /nfs/dbraw/zinc/21/37/13/561213713.db2.gz XDHYQQJUNIQWKO-GHTZIAJQSA-N 1 3 370.541 2.067 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481050929 561223796 /nfs/dbraw/zinc/22/37/96/561223796.db2.gz BETRWNWJAYYTJA-FUHWJXTLSA-N 1 3 356.580 2.378 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481050929 561223797 /nfs/dbraw/zinc/22/37/97/561223797.db2.gz BETRWNWJAYYTJA-FUHWJXTLSA-N 1 3 356.580 2.378 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481050932 561223944 /nfs/dbraw/zinc/22/39/44/561223944.db2.gz BETRWNWJAYYTJA-SJLPKXTDSA-N 1 3 356.580 2.378 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481050932 561223945 /nfs/dbraw/zinc/22/39/45/561223945.db2.gz BETRWNWJAYYTJA-SJLPKXTDSA-N 1 3 356.580 2.378 20 0 FEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000177849442 546695834 /nfs/dbraw/zinc/69/58/34/546695834.db2.gz BMQXZDMZHQCCKV-GOSISDBHSA-N 1 3 362.518 2.110 20 0 FEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000177849442 546695841 /nfs/dbraw/zinc/69/58/41/546695841.db2.gz BMQXZDMZHQCCKV-GOSISDBHSA-N 1 3 362.518 2.110 20 0 FEADHO Cc1ccc([C@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)N(C)C)cc1 ZINC000481300621 561230207 /nfs/dbraw/zinc/23/02/07/561230207.db2.gz ULIJRCOSFILLDK-PKOBYXMFSA-N 1 3 364.559 2.334 20 0 FEADHO NC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000178739401 546841041 /nfs/dbraw/zinc/84/10/41/546841041.db2.gz CEIYRDJAOFGMJQ-FPOVZHCZSA-N 1 3 351.494 2.410 20 0 FEADHO NC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000178739401 546841045 /nfs/dbraw/zinc/84/10/45/546841045.db2.gz CEIYRDJAOFGMJQ-FPOVZHCZSA-N 1 3 351.494 2.410 20 0 FEADHO C[C@H](O)C[C@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000179076720 546896472 /nfs/dbraw/zinc/89/64/72/546896472.db2.gz KLRJJYIUPODBEK-FXAWDEMLSA-N 1 3 359.514 2.134 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]CC2(N3CCCC3)CCOCC2)[C@H](C)C1 ZINC000482568170 561256251 /nfs/dbraw/zinc/25/62/51/561256251.db2.gz WBBCCEHLAYILRY-UXHICEINSA-N 1 3 367.578 2.358 20 0 FEADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(-n2cccn2)cc1 ZINC000482870873 561261747 /nfs/dbraw/zinc/26/17/47/561261747.db2.gz WJEFVZJULVJSMT-QGZVFWFLSA-N 1 3 369.513 2.466 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@@H]2CCCN2C2CCCC2)C[C@H]1[NH+]1CCCC1 ZINC000483416251 561276518 /nfs/dbraw/zinc/27/65/18/561276518.db2.gz XEEGOUWKVYNNFL-RCCFBDPRSA-N 1 3 351.560 2.432 20 0 FEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000483617784 561280739 /nfs/dbraw/zinc/28/07/39/561280739.db2.gz CNXRXADARNTUFA-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN(CCOC(C)C)CC2)C[C@@H]1C ZINC000483824621 561284756 /nfs/dbraw/zinc/28/47/56/561284756.db2.gz UQLRTFQPLYGQAQ-PKOBYXMFSA-N 1 3 368.566 2.390 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN(CCOC(C)C)CC2)C[C@@H]1C ZINC000483824621 561284757 /nfs/dbraw/zinc/28/47/57/561284757.db2.gz UQLRTFQPLYGQAQ-PKOBYXMFSA-N 1 3 368.566 2.390 20 0 FEADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000484442577 561298004 /nfs/dbraw/zinc/29/80/04/561298004.db2.gz QDPGNBWLGYAGAS-MISYRCLQSA-N 1 3 358.530 2.428 20 0 FEADHO Cc1cc2c(cc1C)[C@@H](C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CO2 ZINC000184287154 547800566 /nfs/dbraw/zinc/80/05/66/547800566.db2.gz IARBBDWNISDNET-FQEVSTJZSA-N 1 3 371.525 2.454 20 0 FEADHO NCc1cc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc(C(F)(F)F)c1 ZINC000485863929 561330374 /nfs/dbraw/zinc/33/03/74/561330374.db2.gz NTAIFXUOCGRCTE-SNVBAGLBSA-N 1 3 353.348 2.216 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)c1nccs1 ZINC000187044790 548246871 /nfs/dbraw/zinc/24/68/71/548246871.db2.gz SGWVHMGAFUGVRV-CVEARBPZSA-N 1 3 367.563 2.304 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)c1nccs1 ZINC000187044790 548246874 /nfs/dbraw/zinc/24/68/74/548246874.db2.gz SGWVHMGAFUGVRV-CVEARBPZSA-N 1 3 367.563 2.304 20 0 FEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194417509 548478877 /nfs/dbraw/zinc/47/88/77/548478877.db2.gz XMMUSHLZGKSLDJ-HOJAQTOUSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194417509 548478881 /nfs/dbraw/zinc/47/88/81/548478881.db2.gz XMMUSHLZGKSLDJ-HOJAQTOUSA-N 1 3 358.530 2.490 20 0 FEADHO CN(C)Cc1ccccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000486757567 561355862 /nfs/dbraw/zinc/35/58/62/561355862.db2.gz CMJSHSGKSFSLBC-VQTJNVASSA-N 1 3 359.514 2.246 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@]2(C)CCCCN2)c1 ZINC000236868418 548784632 /nfs/dbraw/zinc/78/46/32/548784632.db2.gz WKAVQXULAAZOIQ-HXUWFJFHSA-N 1 3 360.502 2.229 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)CC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000237605268 548838657 /nfs/dbraw/zinc/83/86/57/548838657.db2.gz WQZHYAYLAWEFTD-CALCHBBNSA-N 1 3 351.535 2.114 20 0 FEADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000487813791 561376387 /nfs/dbraw/zinc/37/63/87/561376387.db2.gz VNNBUAMFBXAYOX-ZHALLVOQSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245812967 548999148 /nfs/dbraw/zinc/99/91/48/548999148.db2.gz PXFWHTWYVBZVCA-WIYYLYMNSA-N 1 3 372.557 2.182 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000246475110 549141230 /nfs/dbraw/zinc/14/12/30/549141230.db2.gz GFFDZSLUMGXYJR-SQGPQFPESA-N 1 3 371.529 2.485 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000246475110 549141233 /nfs/dbraw/zinc/14/12/33/549141233.db2.gz GFFDZSLUMGXYJR-SQGPQFPESA-N 1 3 371.529 2.485 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000246475101 549141611 /nfs/dbraw/zinc/14/16/11/549141611.db2.gz GFFDZSLUMGXYJR-QKLQHJQFSA-N 1 3 371.529 2.485 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000246475101 549141617 /nfs/dbraw/zinc/14/16/17/549141617.db2.gz GFFDZSLUMGXYJR-QKLQHJQFSA-N 1 3 371.529 2.485 20 0 FEADHO CCN1CC[C@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)[C@@H](C)C1 ZINC000246951714 549248937 /nfs/dbraw/zinc/24/89/37/549248937.db2.gz IDAANQNLSDMWMW-VDGAXYAQSA-N 1 3 359.514 2.415 20 0 FEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000247323398 549317825 /nfs/dbraw/zinc/31/78/25/549317825.db2.gz MNLCEMAACMQMJF-PGRDOPGGSA-N 1 3 371.525 2.268 20 0 FEADHO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CC[C@@H]4[C@@H](CCCN4C)C3)c2cc1C ZINC000248046825 549402962 /nfs/dbraw/zinc/40/29/62/549402962.db2.gz VLAHIJOXEFEFGE-NLWGTHIKSA-N 1 3 356.514 2.430 20 0 FEADHO Cc1cc2ncn(C[C@H](O)C[N@H+]3CC[C@@H]4[C@@H](CCCN4C)C3)c2cc1C ZINC000248046825 549402967 /nfs/dbraw/zinc/40/29/67/549402967.db2.gz VLAHIJOXEFEFGE-NLWGTHIKSA-N 1 3 356.514 2.430 20 0 FEADHO Cc1cc2ncn(C[C@H](O)CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2cc1C ZINC000248046825 549402969 /nfs/dbraw/zinc/40/29/69/549402969.db2.gz VLAHIJOXEFEFGE-NLWGTHIKSA-N 1 3 356.514 2.430 20 0 FEADHO Cc1cc2ncn(C[C@H](O)CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2cc1C ZINC000248046825 549402972 /nfs/dbraw/zinc/40/29/72/549402972.db2.gz VLAHIJOXEFEFGE-NLWGTHIKSA-N 1 3 356.514 2.430 20 0 FEADHO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000248403982 549430682 /nfs/dbraw/zinc/43/06/82/549430682.db2.gz ZNYTTXODKFYQDW-AZUAARDMSA-N 1 3 360.546 2.069 20 0 FEADHO CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000248403982 549430684 /nfs/dbraw/zinc/43/06/84/549430684.db2.gz ZNYTTXODKFYQDW-AZUAARDMSA-N 1 3 360.546 2.069 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000248707556 549487891 /nfs/dbraw/zinc/48/78/91/549487891.db2.gz AYTNONGOWNQTMJ-MISYRCLQSA-N 1 3 354.498 2.163 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000248707556 549487894 /nfs/dbraw/zinc/48/78/94/549487894.db2.gz AYTNONGOWNQTMJ-MISYRCLQSA-N 1 3 354.498 2.163 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000489558360 561414160 /nfs/dbraw/zinc/41/41/60/561414160.db2.gz WPFGLDSLRUBFOZ-KPFFTGBYSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000489558360 561414161 /nfs/dbraw/zinc/41/41/61/561414161.db2.gz WPFGLDSLRUBFOZ-KPFFTGBYSA-N 1 3 356.514 2.433 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2CCC(C)CC2)[C@H](C)C1 ZINC000249442506 549592380 /nfs/dbraw/zinc/59/23/80/549592380.db2.gz MNCCTICJJFKMFW-QRVBRYPASA-N 1 3 353.551 2.360 20 0 FEADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000489907513 561422147 /nfs/dbraw/zinc/42/21/47/561422147.db2.gz NYXBWUBQTHVLOP-KRWDZBQOSA-N 1 3 358.486 2.345 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261691991 549743257 /nfs/dbraw/zinc/74/32/57/549743257.db2.gz HOLGIXFSHDYSSK-LSTHTHJFSA-N 1 3 359.514 2.252 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261691991 549743259 /nfs/dbraw/zinc/74/32/59/549743259.db2.gz HOLGIXFSHDYSSK-LSTHTHJFSA-N 1 3 359.514 2.252 20 0 FEADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262136878 549791975 /nfs/dbraw/zinc/79/19/75/549791975.db2.gz OWFLASPFYWIVLF-IBGZPJMESA-N 1 3 359.905 2.314 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCN(C)[C@@H](C(C)C)C3)CC2)c1 ZINC000490308307 561430634 /nfs/dbraw/zinc/43/06/34/561430634.db2.gz ORODVIKDNBANPU-OAQYLSRUSA-N 1 3 372.557 2.306 20 0 FEADHO Cc1cccc(N2CC[NH+](CCC(=O)N3CCN(C)[C@@H](C(C)C)C3)CC2)c1 ZINC000490308307 561430635 /nfs/dbraw/zinc/43/06/35/561430635.db2.gz ORODVIKDNBANPU-OAQYLSRUSA-N 1 3 372.557 2.306 20 0 FEADHO COCC1(C(=O)NC2CCN(Cc3ccccc3C)CC2)CC[NH2+]CC1 ZINC000262381429 549815422 /nfs/dbraw/zinc/81/54/22/549815422.db2.gz NXNPYUSQYUUNET-UHFFFAOYSA-N 1 3 359.514 2.092 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000262665575 549837055 /nfs/dbraw/zinc/83/70/55/549837055.db2.gz PIJYXFKIQDHNBO-AQNXPRMDSA-N 1 3 359.514 2.066 20 0 FEADHO CCO[C@H]1C[C@]([NH3+])(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1(C)C ZINC000262753207 549846021 /nfs/dbraw/zinc/84/60/21/549846021.db2.gz AJOVIEXWLJJZQT-AVRDEDQJSA-N 1 3 373.541 2.472 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1(C)C ZINC000262790027 549850533 /nfs/dbraw/zinc/85/05/33/549850533.db2.gz NQUBIQFSJOQKHS-WAOWUJCRSA-N 1 3 365.562 2.489 20 0 FEADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000263117716 549879046 /nfs/dbraw/zinc/87/90/46/549879046.db2.gz GASOCVJHJITMHA-BEFAXECRSA-N 1 3 360.502 2.099 20 0 FEADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000263117716 549879047 /nfs/dbraw/zinc/87/90/47/549879047.db2.gz GASOCVJHJITMHA-BEFAXECRSA-N 1 3 360.502 2.099 20 0 FEADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000263663412 549915579 /nfs/dbraw/zinc/91/55/79/549915579.db2.gz HJFUHPPIPSAACB-GOSISDBHSA-N 1 3 360.546 2.142 20 0 FEADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000263664465 549916216 /nfs/dbraw/zinc/91/62/16/549916216.db2.gz HJFUHPPIPSAACB-SFHVURJKSA-N 1 3 360.546 2.142 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000263694476 549921096 /nfs/dbraw/zinc/92/10/96/549921096.db2.gz HFODHIGGAWZMCG-HKUYNNGSSA-N 1 3 361.534 2.418 20 0 FEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000490978599 561441141 /nfs/dbraw/zinc/44/11/41/561441141.db2.gz VOUMLIFMGUSQEM-OAHLLOKOSA-N 1 3 362.474 2.261 20 0 FEADHO CN(C)CCn1c2cc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)ccc2oc1=O ZINC000490997560 561441566 /nfs/dbraw/zinc/44/15/66/561441566.db2.gz HIDCHTGTPUHGEY-INIZCTEOSA-N 1 3 374.485 2.359 20 0 FEADHO CN(C)CCn1c2cc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)ccc2oc1=O ZINC000490997560 561441567 /nfs/dbraw/zinc/44/15/67/561441567.db2.gz HIDCHTGTPUHGEY-INIZCTEOSA-N 1 3 374.485 2.359 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000268909278 550130136 /nfs/dbraw/zinc/13/01/36/550130136.db2.gz NPUCYOSBZOEEAJ-TYPHKJRUSA-N 1 3 364.530 2.291 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000268909278 550130139 /nfs/dbraw/zinc/13/01/39/550130139.db2.gz NPUCYOSBZOEEAJ-TYPHKJRUSA-N 1 3 364.530 2.291 20 0 FEADHO C[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)CCC[NH+]1CCN(C)CC1 ZINC000492913880 561453494 /nfs/dbraw/zinc/45/34/94/561453494.db2.gz VFEBXXSCVYUJST-CQSZACIVSA-N 1 3 370.900 2.375 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000493906635 561459168 /nfs/dbraw/zinc/45/91/68/561459168.db2.gz LWJBMKHKVSQCRK-FQEVSTJZSA-N 1 3 367.493 2.461 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000494207960 561464618 /nfs/dbraw/zinc/46/46/18/561464618.db2.gz HVDWXNJLQXKTHW-KRWDZBQOSA-N 1 3 374.529 2.143 20 0 FEADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000271676769 550394624 /nfs/dbraw/zinc/39/46/24/550394624.db2.gz NTCVJLAFFGPJAY-NVXWUHKLSA-N 1 3 353.532 2.462 20 0 FEADHO Cn1cc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000272720384 550466806 /nfs/dbraw/zinc/46/68/06/550466806.db2.gz XIAQCCGIZSNZAY-OYNPSCLESA-N 1 3 354.498 2.344 20 0 FEADHO Cn1cc([C@H](O)CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000272720384 550466808 /nfs/dbraw/zinc/46/68/08/550466808.db2.gz XIAQCCGIZSNZAY-OYNPSCLESA-N 1 3 354.498 2.344 20 0 FEADHO Cn1cc([C@H](O)C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000272720384 550466810 /nfs/dbraw/zinc/46/68/10/550466810.db2.gz XIAQCCGIZSNZAY-OYNPSCLESA-N 1 3 354.498 2.344 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccccc1OCC(=O)OC ZINC000273373177 550496112 /nfs/dbraw/zinc/49/61/12/550496112.db2.gz PYLRTVONXXVJTH-CVEARBPZSA-N 1 3 352.475 2.246 20 0 FEADHO C[C@H]1C[N@H+](CCCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCCO1 ZINC000277383011 550663811 /nfs/dbraw/zinc/66/38/11/550663811.db2.gz JVGSLNUUVIUPJX-ICSRJNTNSA-N 1 3 374.529 2.061 20 0 FEADHO C[C@H]1C[N@@H+](CCCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCCO1 ZINC000277383011 550663813 /nfs/dbraw/zinc/66/38/13/550663813.db2.gz JVGSLNUUVIUPJX-ICSRJNTNSA-N 1 3 374.529 2.061 20 0 FEADHO CC[N@@H+]1CCCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000277553186 550683572 /nfs/dbraw/zinc/68/35/72/550683572.db2.gz VPELCLFVOSITAV-FQEVSTJZSA-N 1 3 374.529 2.015 20 0 FEADHO CC[N@H+]1CCCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000277553186 550683574 /nfs/dbraw/zinc/68/35/74/550683574.db2.gz VPELCLFVOSITAV-FQEVSTJZSA-N 1 3 374.529 2.015 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CCCO1 ZINC000277718969 550706088 /nfs/dbraw/zinc/70/60/88/550706088.db2.gz PKENKHSYRUMIGC-HOJAQTOUSA-N 1 3 374.529 2.232 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CCCO1 ZINC000277718969 550706089 /nfs/dbraw/zinc/70/60/89/550706089.db2.gz PKENKHSYRUMIGC-HOJAQTOUSA-N 1 3 374.529 2.232 20 0 FEADHO CCN1CCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000278563080 550799339 /nfs/dbraw/zinc/79/93/39/550799339.db2.gz HYNAPIAGKYZBNU-GOSISDBHSA-N 1 3 369.513 2.326 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000278782175 550821443 /nfs/dbraw/zinc/82/14/43/550821443.db2.gz VGYNSIAVVFNGJL-UHFFFAOYSA-N 1 3 359.514 2.160 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)c3csc(CC[NH3+])n3)c(C)c2)CC1 ZINC000279949694 550946210 /nfs/dbraw/zinc/94/62/10/550946210.db2.gz SNCOXSZNVHGJLZ-UHFFFAOYSA-N 1 3 373.526 2.347 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCCC12CCOCC2)c1ccccc1 ZINC000282016157 551169763 /nfs/dbraw/zinc/16/97/63/551169763.db2.gz KAOUKQBSGKTAAW-MOPGFXCFSA-N 1 3 359.514 2.344 20 0 FEADHO CC[C@@H](C)N[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)c1ccco1 ZINC000497376825 561499675 /nfs/dbraw/zinc/49/96/75/561499675.db2.gz ONBFRMJDEQTQIC-HZPDHXFCSA-N 1 3 366.506 2.119 20 0 FEADHO OCCOC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000282707038 551261864 /nfs/dbraw/zinc/26/18/64/551261864.db2.gz LFYIGKNXMBGAIC-PCCBWWKXSA-N 1 3 374.525 2.045 20 0 FEADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000283199495 551327829 /nfs/dbraw/zinc/32/78/29/551327829.db2.gz GIZMMKRELASWTK-MZNJEOGPSA-N 1 3 351.560 2.491 20 0 FEADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)CC1 ZINC000283430091 551364897 /nfs/dbraw/zinc/36/48/97/551364897.db2.gz WXOWTYYXUNJVBW-KRWDZBQOSA-N 1 3 358.530 2.272 20 0 FEADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000286955958 551944503 /nfs/dbraw/zinc/94/45/03/551944503.db2.gz DEPGERGGYMDPPB-XLIONFOSSA-N 1 3 374.529 2.395 20 0 FEADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1OCCN(C)C ZINC000287062975 551958506 /nfs/dbraw/zinc/95/85/06/551958506.db2.gz AYXGZJGIELIIDP-MJGOQNOKSA-N 1 3 374.529 2.395 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000287316707 551988673 /nfs/dbraw/zinc/98/86/73/551988673.db2.gz DFJDCPAXCMYUAP-HOTGVXAUSA-N 1 3 373.419 2.178 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3Cc4ccccc4CO3)CC2)CC1 ZINC000287618156 552026258 /nfs/dbraw/zinc/02/62/58/552026258.db2.gz SGVDSKXIGDLWAE-UHFFFAOYSA-N 1 3 358.486 2.202 20 0 FEADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000288084414 552087910 /nfs/dbraw/zinc/08/79/10/552087910.db2.gz KBGWCRDNCFMEDW-IEBWSBKVSA-N 1 3 374.529 2.395 20 0 FEADHO CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)c2C1 ZINC000288198081 552109034 /nfs/dbraw/zinc/10/90/34/552109034.db2.gz PHDWOLGXOCOZLN-GJZGRUSLSA-N 1 3 360.502 2.052 20 0 FEADHO COc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc(OC)c1O ZINC000289347957 552305268 /nfs/dbraw/zinc/30/52/68/552305268.db2.gz XAOHMJRPDDSHNB-UHFFFAOYSA-N 1 3 363.502 2.058 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc4c3COC4=O)CC2)CC1 ZINC000289583641 552344496 /nfs/dbraw/zinc/34/44/96/552344496.db2.gz HYPTXCPGEIFKSZ-UHFFFAOYSA-N 1 3 372.469 2.037 20 0 FEADHO COC(=O)CC[C@H](N)C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000289692425 552363125 /nfs/dbraw/zinc/36/31/25/552363125.db2.gz DZBMXBVKSCLMDB-NJAFHUGGSA-N 1 3 363.502 2.149 20 0 FEADHO COC(=O)CC[C@@H](N)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000289999370 552411843 /nfs/dbraw/zinc/41/18/43/552411843.db2.gz RPGCJUOWQQWAMO-GOSISDBHSA-N 1 3 361.486 2.180 20 0 FEADHO C[C@H](C(=O)NCc1ccncc1OCCC[NH+](C)C)N1[C@H](C)CC[C@H]1C ZINC000290554469 552497271 /nfs/dbraw/zinc/49/72/71/552497271.db2.gz FETHYPMDZUZBFR-BRWVUGGUSA-N 1 3 362.518 2.290 20 0 FEADHO O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1ccc2c(c1)CNCCO2 ZINC000291116694 552588959 /nfs/dbraw/zinc/58/89/59/552588959.db2.gz UGRLGFMDTLKGOV-UHFFFAOYSA-N 1 3 359.470 2.142 20 0 FEADHO C[C@H]1CC[N@H+](C)CCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000501279602 561593822 /nfs/dbraw/zinc/59/38/22/561593822.db2.gz UMCGJBNIKBBOMQ-IBGZPJMESA-N 1 3 358.530 2.141 20 0 FEADHO C[C@H]1CC[N@@H+](C)CCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000501279602 561593823 /nfs/dbraw/zinc/59/38/23/561593823.db2.gz UMCGJBNIKBBOMQ-IBGZPJMESA-N 1 3 358.530 2.141 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CCN1Cc1ccccc1 ZINC000291755027 552658438 /nfs/dbraw/zinc/65/84/38/552658438.db2.gz KTLQBFTUNXEMCM-QMMLZNLJSA-N 1 3 371.525 2.409 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CCN1Cc1ccccc1 ZINC000291755027 552658439 /nfs/dbraw/zinc/65/84/39/552658439.db2.gz KTLQBFTUNXEMCM-QMMLZNLJSA-N 1 3 371.525 2.409 20 0 FEADHO O=C(CC[C@@H]1CCC[NH2+]1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000292011092 552684213 /nfs/dbraw/zinc/68/42/13/552684213.db2.gz DFQHJEFOBPWXEI-PMACEKPBSA-N 1 3 359.514 2.080 20 0 FEADHO O=C(CC[C@H]1CCC[NH2+]1)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000292091233 552692887 /nfs/dbraw/zinc/69/28/87/552692887.db2.gz NFCKTJDLYJIOBR-OAQYLSRUSA-N 1 3 372.557 2.233 20 0 FEADHO CN1CC[C@]2(CC[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)C2)C1 ZINC000292220289 552705661 /nfs/dbraw/zinc/70/56/61/552705661.db2.gz AAZFDZUDZVYYIF-FQEVSTJZSA-N 1 3 354.454 2.376 20 0 FEADHO CN1CC[C@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)C2)C1 ZINC000292220289 552705662 /nfs/dbraw/zinc/70/56/62/552705662.db2.gz AAZFDZUDZVYYIF-FQEVSTJZSA-N 1 3 354.454 2.376 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000294025513 552876191 /nfs/dbraw/zinc/87/61/91/552876191.db2.gz HASPIAMTKMHLAF-LEWJYISDSA-N 1 3 372.557 2.218 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000501773985 561605179 /nfs/dbraw/zinc/60/51/79/561605179.db2.gz HMFVWLQJBDCOPX-PMACEKPBSA-N 1 3 356.514 2.361 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000501773985 561605180 /nfs/dbraw/zinc/60/51/80/561605180.db2.gz HMFVWLQJBDCOPX-PMACEKPBSA-N 1 3 356.514 2.361 20 0 FEADHO OC1CCN(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000294750474 552931600 /nfs/dbraw/zinc/93/16/00/552931600.db2.gz DDFFOGYPSTVPTA-BAGYTPMASA-N 1 3 357.542 2.333 20 0 FEADHO OC1CCN(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000294750474 552931602 /nfs/dbraw/zinc/93/16/02/552931602.db2.gz DDFFOGYPSTVPTA-BAGYTPMASA-N 1 3 357.542 2.333 20 0 FEADHO OC1CCN(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000294750474 552931603 /nfs/dbraw/zinc/93/16/03/552931603.db2.gz DDFFOGYPSTVPTA-BAGYTPMASA-N 1 3 357.542 2.333 20 0 FEADHO C[C@@H](NC1CC1)C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000295794476 553059805 /nfs/dbraw/zinc/05/98/05/553059805.db2.gz SGJPLIAYQJMXTQ-OXQOHEQNSA-N 1 3 359.514 2.031 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)c3ccccn3)CC2)CC1 ZINC000296210971 553123090 /nfs/dbraw/zinc/12/30/90/553123090.db2.gz DBQIGEYSYOZYGM-UHFFFAOYSA-N 1 3 373.545 2.217 20 0 FEADHO C[C@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCN(C2CC2)C1 ZINC000297292912 553274418 /nfs/dbraw/zinc/27/44/18/553274418.db2.gz LWLSQRCUMTUJMR-QGZVFWFLSA-N 1 3 371.529 2.424 20 0 FEADHO CCO[C@@H]1C[C@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@H]1SC ZINC000297734507 553331825 /nfs/dbraw/zinc/33/18/25/553331825.db2.gz SPLPSCQRIUSZNN-FCGDIQPGSA-N 1 3 350.528 2.252 20 0 FEADHO CCO[C@@H]1C[C@H](NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@H]1SC ZINC000297734507 553331827 /nfs/dbraw/zinc/33/18/27/553331827.db2.gz SPLPSCQRIUSZNN-FCGDIQPGSA-N 1 3 350.528 2.252 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)[C@H]1SC ZINC000297734507 553331828 /nfs/dbraw/zinc/33/18/28/553331828.db2.gz SPLPSCQRIUSZNN-FCGDIQPGSA-N 1 3 350.528 2.252 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N(C)Cc2cccs2)[C@H](C)C1 ZINC000299331543 553549223 /nfs/dbraw/zinc/54/92/23/553549223.db2.gz OHJZNSSLAMLMBP-SJLPKXTDSA-N 1 3 367.559 2.433 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc2c(c1)CCO2 ZINC000505754544 561679435 /nfs/dbraw/zinc/67/94/35/561679435.db2.gz KEPYSSQQEQNYJY-LJQANCHMSA-N 1 3 359.514 2.039 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc2c(c1)CCO2 ZINC000505754544 561679436 /nfs/dbraw/zinc/67/94/36/561679436.db2.gz KEPYSSQQEQNYJY-LJQANCHMSA-N 1 3 359.514 2.039 20 0 FEADHO C[N@H+](CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000506819303 561709140 /nfs/dbraw/zinc/70/91/40/561709140.db2.gz LADRRBUACMGMPN-KRWDZBQOSA-N 1 3 351.441 2.354 20 0 FEADHO C[N@@H+](CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000506819303 561709142 /nfs/dbraw/zinc/70/91/42/561709142.db2.gz LADRRBUACMGMPN-KRWDZBQOSA-N 1 3 351.441 2.354 20 0 FEADHO C[C@@H]1C[C@H](Nc2nc(N[C@@H]3CCN(C)[C@@H](C)C3)ncc2Cl)CC[N@@H+]1C ZINC000330196373 554083188 /nfs/dbraw/zinc/08/31/88/554083188.db2.gz QCYOZULKCKTGEN-LXTVHRRPSA-N 1 3 366.941 2.919 20 0 FEADHO C[C@@H]1C[C@H](Nc2nc(N[C@@H]3CCN(C)[C@@H](C)C3)ncc2Cl)CC[N@H+]1C ZINC000330196373 554083191 /nfs/dbraw/zinc/08/31/91/554083191.db2.gz QCYOZULKCKTGEN-LXTVHRRPSA-N 1 3 366.941 2.919 20 0 FEADHO CN1CCC2(CC1)C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccccc1O2 ZINC000330270260 554096335 /nfs/dbraw/zinc/09/63/35/554096335.db2.gz TWAQQFXOHHNTFN-RTBURBONSA-N 1 3 360.498 2.352 20 0 FEADHO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000333279854 554597903 /nfs/dbraw/zinc/59/79/03/554597903.db2.gz MFTMPSYXMPXTSX-RCCFBDPRSA-N 1 3 371.591 2.480 20 0 FEADHO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000333778223 554642324 /nfs/dbraw/zinc/64/23/24/554642324.db2.gz DHDUJZFNFMZTFN-GBESFXJTSA-N 1 3 371.591 2.337 20 0 FEADHO C[C@H](CNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)N1CCC(C)CC1 ZINC000333793991 554643810 /nfs/dbraw/zinc/64/38/10/554643810.db2.gz MWYBGFQNOCDCEM-BHIYHBOVSA-N 1 3 366.550 2.035 20 0 FEADHO C[C@@]1(NCC2(C[NH2+][C@@]3(C)CCO[C@H]3C3CC3)COC2)CCO[C@H]1C1CC1 ZINC000359962002 554857454 /nfs/dbraw/zinc/85/74/54/554857454.db2.gz UOCHWGIFXYQOJU-LWYYNNOASA-N 1 3 364.530 2.097 20 0 FEADHO C[C@@]1([NH2+]CC2(CN[C@@]3(C)CCO[C@H]3C3CC3)COC2)CCO[C@H]1C1CC1 ZINC000359962002 554857455 /nfs/dbraw/zinc/85/74/55/554857455.db2.gz UOCHWGIFXYQOJU-LWYYNNOASA-N 1 3 364.530 2.097 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000361035517 554901625 /nfs/dbraw/zinc/90/16/25/554901625.db2.gz NTGRJVWYGRZDDQ-SLFFLAALSA-N 1 3 356.514 2.374 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000361035517 554901626 /nfs/dbraw/zinc/90/16/26/554901626.db2.gz NTGRJVWYGRZDDQ-SLFFLAALSA-N 1 3 356.514 2.374 20 0 FEADHO Cn1cc([C@@H](N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c2cccc(F)c2)cn1 ZINC000361067114 554902785 /nfs/dbraw/zinc/90/27/85/554902785.db2.gz MOSMSRPPKFAJFS-FPOVZHCZSA-N 1 3 371.504 2.407 20 0 FEADHO Cn1cc([C@@H](N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c2cccc(F)c2)cn1 ZINC000361067114 554902788 /nfs/dbraw/zinc/90/27/88/554902788.db2.gz MOSMSRPPKFAJFS-FPOVZHCZSA-N 1 3 371.504 2.407 20 0 FEADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCN(CCCc2ccccc2)CC1 ZINC000362807184 554990076 /nfs/dbraw/zinc/99/00/76/554990076.db2.gz QXNPKXIKDLEZQF-OAQYLSRUSA-N 1 3 355.526 2.495 20 0 FEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363390463 555093721 /nfs/dbraw/zinc/09/37/21/555093721.db2.gz SVGJLFFWIHLWAH-UXHICEINSA-N 1 3 374.529 2.143 20 0 FEADHO C[NH+](C)CC1CCN(C(=O)NC2CCN(CCc3ccncc3)CC2)CC1 ZINC000363454443 555109590 /nfs/dbraw/zinc/10/95/90/555109590.db2.gz NXOOGHPFIYKOSZ-UHFFFAOYSA-N 1 3 373.545 2.072 20 0 FEADHO C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](N3CC=CC3)C2)[C@H]1c1cccs1 ZINC000363494162 555120031 /nfs/dbraw/zinc/12/00/31/555120031.db2.gz ZJIMIVRRLXYRJY-RYRKJORJSA-N 1 3 360.527 2.397 20 0 FEADHO Cc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363711593 555169965 /nfs/dbraw/zinc/16/99/65/555169965.db2.gz HNPSJHYHQAEKTB-MTQWCTHYSA-N 1 3 362.514 2.214 20 0 FEADHO Cc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363711593 555169966 /nfs/dbraw/zinc/16/99/66/555169966.db2.gz HNPSJHYHQAEKTB-MTQWCTHYSA-N 1 3 362.514 2.214 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ccccc1Cn1cncn1 ZINC000363836692 555196231 /nfs/dbraw/zinc/19/62/31/555196231.db2.gz VKTJMNIMKJKENW-QMMLZNLJSA-N 1 3 369.513 2.305 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ccccc1Cn1cncn1 ZINC000363836692 555196232 /nfs/dbraw/zinc/19/62/32/555196232.db2.gz VKTJMNIMKJKENW-QMMLZNLJSA-N 1 3 369.513 2.305 20 0 FEADHO O=C(N[C@H](CO)CN1CCCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000512384200 561902815 /nfs/dbraw/zinc/90/28/15/561902815.db2.gz LOVBVMFNQAIHNT-FQEVSTJZSA-N 1 3 359.514 2.249 20 0 FEADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000364662635 555366599 /nfs/dbraw/zinc/36/65/99/555366599.db2.gz MLLLBAPZAAIOKR-BVBHFADKSA-N 1 3 359.518 2.102 20 0 FEADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000364662635 555366600 /nfs/dbraw/zinc/36/66/00/555366600.db2.gz MLLLBAPZAAIOKR-BVBHFADKSA-N 1 3 359.518 2.102 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCSC1 ZINC000513168301 561927822 /nfs/dbraw/zinc/92/78/22/561927822.db2.gz YURATBYBMRXSLK-DLBZAZTESA-N 1 3 356.580 2.187 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCSC1 ZINC000513168301 561927823 /nfs/dbraw/zinc/92/78/23/561927823.db2.gz YURATBYBMRXSLK-DLBZAZTESA-N 1 3 356.580 2.187 20 0 FEADHO CCN1CCN(c2ccccc2CN2CCC([N@H+](C)C[C@@H](C)O)CC2)CC1 ZINC000513348770 561934789 /nfs/dbraw/zinc/93/47/89/561934789.db2.gz XHOHBLCNDCCQOX-LJQANCHMSA-N 1 3 374.573 2.106 20 0 FEADHO CCN1CCN(c2ccccc2CN2CCC([N@@H+](C)C[C@@H](C)O)CC2)CC1 ZINC000513348770 561934791 /nfs/dbraw/zinc/93/47/91/561934791.db2.gz XHOHBLCNDCCQOX-LJQANCHMSA-N 1 3 374.573 2.106 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@]3(CCN(C)C3)C2)CC1 ZINC000366263211 555796294 /nfs/dbraw/zinc/79/62/94/555796294.db2.gz KFYHGLKUKGKLDS-HXUWFJFHSA-N 1 3 350.551 2.482 20 0 FEADHO C[C@H](C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1)[C@@H](N)c1ccccc1 ZINC000366325302 555812237 /nfs/dbraw/zinc/81/22/37/555812237.db2.gz PJDGEPQWSOGBND-OXJNMPFZSA-N 1 3 359.514 2.424 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC=C(C(F)(F)F)CC3)CC2)CC1 ZINC000367012844 555997437 /nfs/dbraw/zinc/99/74/37/555997437.db2.gz FURSHTXDUPZGGC-UHFFFAOYSA-N 1 3 374.451 2.449 20 0 FEADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCN2CCC1CC2 ZINC000367409895 556040837 /nfs/dbraw/zinc/04/08/37/556040837.db2.gz KDPZHGVUIGIKOU-MRXNPFEDSA-N 1 3 362.543 2.450 20 0 FEADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCN2CCC1CC2 ZINC000367409895 556040840 /nfs/dbraw/zinc/04/08/40/556040840.db2.gz KDPZHGVUIGIKOU-MRXNPFEDSA-N 1 3 362.543 2.450 20 0 FEADHO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCCN3CCc4ccccc4C3)C[C@H]21 ZINC000367591307 556091906 /nfs/dbraw/zinc/09/19/06/556091906.db2.gz WMOYAVZOOLKARB-AZUAARDMSA-N 1 3 356.514 2.170 20 0 FEADHO C[N@H+]1CC[C@H]2CCN(C(=O)NCCCN3CCc4ccccc4C3)C[C@H]21 ZINC000367591307 556091907 /nfs/dbraw/zinc/09/19/07/556091907.db2.gz WMOYAVZOOLKARB-AZUAARDMSA-N 1 3 356.514 2.170 20 0 FEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CCC4(CC3)NC(=O)NC4=O)CC2)C1 ZINC000367689365 556115179 /nfs/dbraw/zinc/11/51/79/556115179.db2.gz UXAGTTCKHKJBAQ-IVSQAGSJSA-N 1 3 362.518 2.140 20 0 FEADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000514884013 561985212 /nfs/dbraw/zinc/98/52/12/561985212.db2.gz HPCMZDRPGBLKDG-GOSISDBHSA-N 1 3 353.457 2.072 20 0 FEADHO C[C@@H]1CN(C[C@H](O)Cc2cccc(Cl)c2)CCN1C1CC[NH+](C)CC1 ZINC000367861367 556157530 /nfs/dbraw/zinc/15/75/30/556157530.db2.gz AIHOSJQWOGKAFX-OXQOHEQNSA-N 1 3 365.949 2.344 20 0 FEADHO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c(C)s1 ZINC000514926841 561987139 /nfs/dbraw/zinc/98/71/39/561987139.db2.gz KRIRNGBBAXCELS-BZUAXINKSA-N 1 3 371.572 2.106 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+](C)[C@H]3c3cccs3)[C@H]2C1 ZINC000367916842 556171937 /nfs/dbraw/zinc/17/19/37/556171937.db2.gz KCNVPALKZWQSDF-MUQADHOPSA-N 1 3 362.543 2.477 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+](C)[C@H]3c3cccs3)[C@H]2C1 ZINC000367916842 556171938 /nfs/dbraw/zinc/17/19/38/556171938.db2.gz KCNVPALKZWQSDF-MUQADHOPSA-N 1 3 362.543 2.477 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(CN(C)C)cc2)CC1=O ZINC000369038585 556484970 /nfs/dbraw/zinc/48/49/70/556484970.db2.gz MPSQFBBPTMMSFU-PKOBYXMFSA-N 1 3 372.513 2.020 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(CN(C)C)cc2)CC1=O ZINC000369038585 556484972 /nfs/dbraw/zinc/48/49/72/556484972.db2.gz MPSQFBBPTMMSFU-PKOBYXMFSA-N 1 3 372.513 2.020 20 0 FEADHO CN(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000369432502 556599061 /nfs/dbraw/zinc/59/90/61/556599061.db2.gz MCKJXGSZTRWWIB-RBUKOAKNSA-N 1 3 374.529 2.014 20 0 FEADHO O=C(N[C@H]1CCCN(C2CCCCC2)C1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000369562825 556632066 /nfs/dbraw/zinc/63/20/66/556632066.db2.gz VRGCLFQDAKOHCM-WMZOPIPTSA-N 1 3 359.518 2.335 20 0 FEADHO CO[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000516261652 562037960 /nfs/dbraw/zinc/03/79/60/562037960.db2.gz XJXUWMYUTPLMOA-XUVXKRRUSA-N 1 3 374.529 2.189 20 0 FEADHO C[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370149537 556795102 /nfs/dbraw/zinc/79/51/02/556795102.db2.gz ORXPLETUGYQKNO-NQIIRXRSSA-N 1 3 353.514 2.330 20 0 FEADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000370173800 556802198 /nfs/dbraw/zinc/80/21/98/556802198.db2.gz GCGACPMQBBOBSX-KZNAEPCWSA-N 1 3 368.566 2.248 20 0 FEADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cccc(N2CCOCC2)c1 ZINC000370632502 556926127 /nfs/dbraw/zinc/92/61/27/556926127.db2.gz BGLIEKHXNQCANP-UYAOXDASSA-N 1 3 372.557 2.342 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)C[C@@H](C)O1 ZINC000370653922 556932018 /nfs/dbraw/zinc/93/20/18/556932018.db2.gz VGRJQQMYNUOGOH-XIYVOTBMSA-N 1 3 367.578 2.355 20 0 FEADHO COc1cccc(N2CCC([NH2+]C3CCN(CCN(C)C)CC3)CC2)c1 ZINC000370677362 556937249 /nfs/dbraw/zinc/93/72/49/556937249.db2.gz VZYKJFYOHRDIDI-UHFFFAOYSA-N 1 3 360.546 2.280 20 0 FEADHO C[C@H](CC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000370774242 556964237 /nfs/dbraw/zinc/96/42/37/556964237.db2.gz RAPJZWAHFMOLDB-UKBAYJJMSA-N 1 3 351.535 2.018 20 0 FEADHO [NH3+]CC12CCC(CC1)CN2C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000517037835 562072889 /nfs/dbraw/zinc/07/28/89/562072889.db2.gz SEMOIKBSZXAUPI-UHFFFAOYSA-N 1 3 370.541 2.319 20 0 FEADHO C[C@@H]1C[C@H](CNC(=O)N2CCN3CCC[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000371000652 557041497 /nfs/dbraw/zinc/04/14/97/557041497.db2.gz XFEMMHDPOYNHEJ-MISYRCLQSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1C[C@H](CNC(=O)N2CCN3CCC[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000371000652 557041501 /nfs/dbraw/zinc/04/15/01/557041501.db2.gz XFEMMHDPOYNHEJ-MISYRCLQSA-N 1 3 356.514 2.387 20 0 FEADHO CN(CCC(=O)Nc1ccc(F)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371423182 557181989 /nfs/dbraw/zinc/18/19/89/557181989.db2.gz BCCZELUUUFLGEU-LJQANCHMSA-N 1 3 362.493 2.255 20 0 FEADHO CN(CCC(=O)Nc1ccc(F)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371423182 557181993 /nfs/dbraw/zinc/18/19/93/557181993.db2.gz BCCZELUUUFLGEU-LJQANCHMSA-N 1 3 362.493 2.255 20 0 FEADHO CC[NH+](CC)CCCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000371604245 557236544 /nfs/dbraw/zinc/23/65/44/557236544.db2.gz HGMRNBIOOQBOSS-LJQANCHMSA-N 1 3 361.534 2.325 20 0 FEADHO COC(=O)c1ccc(F)c(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000371651910 557251410 /nfs/dbraw/zinc/25/14/10/557251410.db2.gz UNKPDDCXSGWNNF-GOSISDBHSA-N 1 3 363.477 2.213 20 0 FEADHO CC[C@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CCN1Cc1ccccc1 ZINC000518371706 562110021 /nfs/dbraw/zinc/11/00/21/562110021.db2.gz GUQJFZRQVAHVPR-MSOLQXFVSA-N 1 3 367.497 2.223 20 0 FEADHO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCN(C2CCOCC2)CC1 ZINC000371884996 557319861 /nfs/dbraw/zinc/31/98/61/557319861.db2.gz XWBDANXIGGKYRI-GOSISDBHSA-N 1 3 363.546 2.354 20 0 FEADHO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCCN(C2CCOCC2)CC1 ZINC000371884996 557319863 /nfs/dbraw/zinc/31/98/63/557319863.db2.gz XWBDANXIGGKYRI-GOSISDBHSA-N 1 3 363.546 2.354 20 0 FEADHO c1nc2cc(C[NH2+]CCCCN3CCN(c4ncccn4)CC3)ccc2[nH]1 ZINC000518777316 562118117 /nfs/dbraw/zinc/11/81/17/562118117.db2.gz ANQXRSFPRQGFPK-UHFFFAOYSA-N 1 3 365.485 2.045 20 0 FEADHO c1nc2ccc(C[NH2+]CCCCN3CCN(c4ncccn4)CC3)cc2[nH]1 ZINC000518777316 562118118 /nfs/dbraw/zinc/11/81/18/562118118.db2.gz ANQXRSFPRQGFPK-UHFFFAOYSA-N 1 3 365.485 2.045 20 0 FEADHO Cc1ccccc1NC(=O)[C@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370078 557452825 /nfs/dbraw/zinc/45/28/25/557452825.db2.gz PGAGQJIHNNYZGH-PKOBYXMFSA-N 1 3 358.530 2.422 20 0 FEADHO CCC[N@H+](CC)CCNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372585522 557512439 /nfs/dbraw/zinc/51/24/39/557512439.db2.gz AWLJAKYNKXXKHW-OALUTQOASA-N 1 3 361.534 2.448 20 0 FEADHO CCC[N@@H+](CC)CCNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372585522 557512441 /nfs/dbraw/zinc/51/24/41/557512441.db2.gz AWLJAKYNKXXKHW-OALUTQOASA-N 1 3 361.534 2.448 20 0 FEADHO C[C@H]1CN(Cc2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)N4)cc2)C[C@H](C)O1 ZINC000372896314 557583920 /nfs/dbraw/zinc/58/39/20/557583920.db2.gz BMHOKAKUHANNBY-CPLUKWAASA-N 1 3 357.498 2.262 20 0 FEADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000373187499 557646953 /nfs/dbraw/zinc/64/69/53/557646953.db2.gz VSUJZEHOWQAWLT-IEBWSBKVSA-N 1 3 363.550 2.164 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000373899744 557782881 /nfs/dbraw/zinc/78/28/81/557782881.db2.gz YIZUYKMSTQULHC-MSOLQXFVSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H](NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)C1=CC[N@H+](C)CC1 ZINC000374753434 557925484 /nfs/dbraw/zinc/92/54/84/557925484.db2.gz LGMZKPPRKCNNDM-IEBWSBKVSA-N 1 3 371.529 2.243 20 0 FEADHO C[C@@H](NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)C1=CC[N@@H+](C)CC1 ZINC000374753434 557925486 /nfs/dbraw/zinc/92/54/86/557925486.db2.gz LGMZKPPRKCNNDM-IEBWSBKVSA-N 1 3 371.529 2.243 20 0 FEADHO COc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c(C)c1OC ZINC000521512668 562177835 /nfs/dbraw/zinc/17/78/35/562177835.db2.gz ZKTQNAMGPFKEAN-VQIMIIECSA-N 1 3 361.530 2.470 20 0 FEADHO COc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c(C)c1OC ZINC000521512668 562177836 /nfs/dbraw/zinc/17/78/36/562177836.db2.gz ZKTQNAMGPFKEAN-VQIMIIECSA-N 1 3 361.530 2.470 20 0 FEADHO COCc1ccc(CNC(=O)CN2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000376384146 558166149 /nfs/dbraw/zinc/16/61/49/558166149.db2.gz JDRRXDRNWFHYKI-UHFFFAOYSA-N 1 3 359.514 2.257 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CCC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000376912615 558238102 /nfs/dbraw/zinc/23/81/02/558238102.db2.gz YAGKJRSGMRGICR-SFTDATJTSA-N 1 3 372.557 2.356 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000521986979 562188217 /nfs/dbraw/zinc/18/82/17/562188217.db2.gz ZBCXHGDMHUXSLX-XIKSMUEASA-N 1 3 356.514 2.337 20 0 FEADHO COc1cccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)N2CCCC2)c1 ZINC000522306301 562196670 /nfs/dbraw/zinc/19/66/70/562196670.db2.gz HAGGRUONHQLFCH-YLJYHZDGSA-N 1 3 372.513 2.368 20 0 FEADHO COc1cccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)N2CCCC2)c1 ZINC000522306301 562196671 /nfs/dbraw/zinc/19/66/71/562196671.db2.gz HAGGRUONHQLFCH-YLJYHZDGSA-N 1 3 372.513 2.368 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378233517 558508071 /nfs/dbraw/zinc/50/80/71/558508071.db2.gz UXGIFCDZGUVZAH-TZIWHRDSSA-N 1 3 370.541 2.189 20 0 FEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000523356408 562211871 /nfs/dbraw/zinc/21/18/71/562211871.db2.gz KUTBIEMRIJDTOS-OAQYLSRUSA-N 1 3 372.557 2.185 20 0 FEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000523356408 562211872 /nfs/dbraw/zinc/21/18/72/562211872.db2.gz KUTBIEMRIJDTOS-OAQYLSRUSA-N 1 3 372.557 2.185 20 0 FEADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000378443473 558558445 /nfs/dbraw/zinc/55/84/45/558558445.db2.gz ISBDSIMROAIXKV-OYRHEFFESA-N 1 3 358.530 2.483 20 0 FEADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000378443473 558558448 /nfs/dbraw/zinc/55/84/48/558558448.db2.gz ISBDSIMROAIXKV-OYRHEFFESA-N 1 3 358.530 2.483 20 0 FEADHO O=C(N1CCC([NH+]2CCCCC2)CC1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000523687734 562217781 /nfs/dbraw/zinc/21/77/81/562217781.db2.gz VVMHWMYJYUNUHH-JOCHJYFZSA-N 1 3 371.525 2.100 20 0 FEADHO COC[C@H](C)OC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390871833 558612613 /nfs/dbraw/zinc/61/26/13/558612613.db2.gz JYMNXJJCAWDXKC-KXEVLKFVSA-N 1 3 362.514 2.184 20 0 FEADHO COC[C@H](C)OC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390871833 558612616 /nfs/dbraw/zinc/61/26/16/558612616.db2.gz JYMNXJJCAWDXKC-KXEVLKFVSA-N 1 3 362.514 2.184 20 0 FEADHO [NH3+][C@@H](CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390891918 558613049 /nfs/dbraw/zinc/61/30/49/558613049.db2.gz LLCZBIBCZMCEOE-RTWAWAEBSA-N 1 3 367.493 2.484 20 0 FEADHO O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390954957 558613201 /nfs/dbraw/zinc/61/32/01/558613201.db2.gz VEMNFTPFWQVAAX-AZUAARDMSA-N 1 3 359.514 2.174 20 0 FEADHO [NH3+][C@H](CC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390891914 558613397 /nfs/dbraw/zinc/61/33/97/558613397.db2.gz LLCZBIBCZMCEOE-LEWJYISDSA-N 1 3 367.493 2.484 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000398025167 558625734 /nfs/dbraw/zinc/62/57/34/558625734.db2.gz DPMNAAAVQMQBST-FLAFYDAQSA-N 1 3 371.525 2.298 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000398025167 558625738 /nfs/dbraw/zinc/62/57/38/558625738.db2.gz DPMNAAAVQMQBST-FLAFYDAQSA-N 1 3 371.525 2.298 20 0 FEADHO COCC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000398021520 558625769 /nfs/dbraw/zinc/62/57/69/558625769.db2.gz CCXVMJKKVJRXJG-MJGOQNOKSA-N 1 3 359.514 2.029 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000525105234 562240698 /nfs/dbraw/zinc/24/06/98/562240698.db2.gz APZQVJFWOLYTBP-HKUYNNGSSA-N 1 3 358.530 2.430 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000525105234 562240699 /nfs/dbraw/zinc/24/06/99/562240699.db2.gz APZQVJFWOLYTBP-HKUYNNGSSA-N 1 3 358.530 2.430 20 0 FEADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1C[NH+](C)C ZINC000411224421 558856120 /nfs/dbraw/zinc/85/61/20/558856120.db2.gz JHPDEZHVAWTPKO-LJQANCHMSA-N 1 3 372.513 2.082 20 0 FEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411544593 558914146 /nfs/dbraw/zinc/91/41/46/558914146.db2.gz OGJVXMSOVRIVIC-MRXNPFEDSA-N 1 3 362.518 2.232 20 0 FEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411544593 558914148 /nfs/dbraw/zinc/91/41/48/558914148.db2.gz OGJVXMSOVRIVIC-MRXNPFEDSA-N 1 3 362.518 2.232 20 0 FEADHO CCO[C@H]1C[C@@H](NCC(=O)NC2CC[NH+](CC)CC2)C12CCCCC2 ZINC000411632850 558932706 /nfs/dbraw/zinc/93/27/06/558932706.db2.gz QWHAMNZFUBJYOG-MSOLQXFVSA-N 1 3 351.535 2.304 20 0 FEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000525775963 562254579 /nfs/dbraw/zinc/25/45/79/562254579.db2.gz ABBLKHWEKOCTKQ-UXHICEINSA-N 1 3 358.530 2.484 20 0 FEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000525775963 562254580 /nfs/dbraw/zinc/25/45/80/562254580.db2.gz ABBLKHWEKOCTKQ-UXHICEINSA-N 1 3 358.530 2.484 20 0 FEADHO CCc1ccc2nccc(NCC3(N4CCOCC4)CC[NH+](C)CC3)c2c1 ZINC000413485968 559111446 /nfs/dbraw/zinc/11/14/46/559111446.db2.gz XHFJVRFUYYDUSQ-UHFFFAOYSA-N 1 3 368.525 2.428 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1(CC)CC ZINC000414182731 559151980 /nfs/dbraw/zinc/15/19/80/559151980.db2.gz DHWXBBOPSFZADW-RBUKOAKNSA-N 1 3 367.578 2.356 20 0 FEADHO CC(C)CO[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1(C)C ZINC000414188672 559152121 /nfs/dbraw/zinc/15/21/21/559152121.db2.gz JARIWAUQRQFGLN-RBUKOAKNSA-N 1 3 367.578 2.212 20 0 FEADHO CN1CCC(C[NH2+][C@H](c2cccnc2)C2CCC2)(N2CCOCC2)CC1 ZINC000414190651 559152293 /nfs/dbraw/zinc/15/22/93/559152293.db2.gz KRQIWJRCHMKERE-FQEVSTJZSA-N 1 3 358.530 2.309 20 0 FEADHO CN1CCC(C[NH2+][C@@H](c2cccnc2)C2CCC2)(N2CCOCC2)CC1 ZINC000414190654 559152295 /nfs/dbraw/zinc/15/22/95/559152295.db2.gz KRQIWJRCHMKERE-HXUWFJFHSA-N 1 3 358.530 2.309 20 0 FEADHO COc1ccc(C[C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414201582 559152690 /nfs/dbraw/zinc/15/26/90/559152690.db2.gz SQKMGQFGGVBHAE-SFHVURJKSA-N 1 3 361.530 2.012 20 0 FEADHO CN1CCC(C[NH2+]C2CCC3(CCOCC3)CC2)(N2CCOCC2)CC1 ZINC000414206671 559152980 /nfs/dbraw/zinc/15/29/80/559152980.db2.gz YSQGKOXOTIOMIA-UHFFFAOYSA-N 1 3 365.562 2.112 20 0 FEADHO C[C@@H](NCC1(CS(C)(=O)=O)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000414336833 559157106 /nfs/dbraw/zinc/15/71/06/559157106.db2.gz WWOGYSMWUUANSE-MRXNPFEDSA-N 1 3 368.543 2.493 20 0 FEADHO COc1ccc(C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)[C@@H](C)C2CC2)cc1 ZINC000414682477 559179242 /nfs/dbraw/zinc/17/92/42/559179242.db2.gz RGYSJKBNSTVUMA-WMZOPIPTSA-N 1 3 359.514 2.493 20 0 FEADHO COc1ccc(C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)[C@@H](C)C2CC2)cc1 ZINC000414682477 559179243 /nfs/dbraw/zinc/17/92/43/559179243.db2.gz RGYSJKBNSTVUMA-WMZOPIPTSA-N 1 3 359.514 2.493 20 0 FEADHO CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@H]1CCCN(C(=O)CN)C1)CCC2 ZINC000414699841 559180857 /nfs/dbraw/zinc/18/08/57/559180857.db2.gz FRGFTTYVBZQVLW-HIFRSBDPSA-N 1 3 350.532 2.212 20 0 FEADHO CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1)CCC2 ZINC000414699841 559180859 /nfs/dbraw/zinc/18/08/59/559180859.db2.gz FRGFTTYVBZQVLW-HIFRSBDPSA-N 1 3 350.532 2.212 20 0 FEADHO CCc1nc2c(s1)[C@H]([N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1)CCC2 ZINC000414699837 559180905 /nfs/dbraw/zinc/18/09/05/559180905.db2.gz FRGFTTYVBZQVLW-DZGCQCFKSA-N 1 3 350.532 2.212 20 0 FEADHO CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1)CCC2 ZINC000414699837 559180906 /nfs/dbraw/zinc/18/09/06/559180906.db2.gz FRGFTTYVBZQVLW-DZGCQCFKSA-N 1 3 350.532 2.212 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC000414701273 559180932 /nfs/dbraw/zinc/18/09/32/559180932.db2.gz GQQKMUZHRYQREX-HNNXBMFYSA-N 1 3 365.905 2.133 20 0 FEADHO Cc1ccc(CC[N@H+](C[C@@H]2CCCO2)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414706760 559181175 /nfs/dbraw/zinc/18/11/75/559181175.db2.gz MUYBQTFOSSYIPU-RTWAWAEBSA-N 1 3 373.541 2.216 20 0 FEADHO Cc1ccc(CC[N@@H+](C[C@@H]2CCCO2)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414706760 559181176 /nfs/dbraw/zinc/18/11/76/559181176.db2.gz MUYBQTFOSSYIPU-RTWAWAEBSA-N 1 3 373.541 2.216 20 0 FEADHO [NH3+]Cc1ccc(NC(=O)C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000414710368 559181265 /nfs/dbraw/zinc/18/12/65/559181265.db2.gz SKPPKZBKHRHMID-IBGZPJMESA-N 1 3 366.465 2.037 20 0 FEADHO Cc1cccc(C)c1NC(=O)CN1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414727643 559182522 /nfs/dbraw/zinc/18/25/22/559182522.db2.gz BISJFOGFURBELO-OALUTQOASA-N 1 3 358.530 2.248 20 0 FEADHO CCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000414754530 559185109 /nfs/dbraw/zinc/18/51/09/559185109.db2.gz GGSJYEWYEBBXTA-ZWKOTPCHSA-N 1 3 374.529 2.313 20 0 FEADHO CCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000414754530 559185110 /nfs/dbraw/zinc/18/51/10/559185110.db2.gz GGSJYEWYEBBXTA-ZWKOTPCHSA-N 1 3 374.529 2.313 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3C[C@H](C[NH3+])C[C@H]3C)c(C)c2)CC1 ZINC000414757004 559185680 /nfs/dbraw/zinc/18/56/80/559185680.db2.gz WPCHLTNGUPPOLX-SJORKVTESA-N 1 3 359.518 2.338 20 0 FEADHO CCN(Cc1ccccc1Br)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414760490 559185852 /nfs/dbraw/zinc/18/58/52/559185852.db2.gz HCWZURLSAPPKAQ-AWEZNQCLSA-N 1 3 368.319 2.468 20 0 FEADHO CCN(Cc1ccccc1Br)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414760492 559185976 /nfs/dbraw/zinc/18/59/76/559185976.db2.gz HCWZURLSAPPKAQ-CQSZACIVSA-N 1 3 368.319 2.468 20 0 FEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414817507 559189367 /nfs/dbraw/zinc/18/93/67/559189367.db2.gz ASTSUWUVJGEAIJ-OAHLLOKOSA-N 1 3 372.513 2.245 20 0 FEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414817507 559189368 /nfs/dbraw/zinc/18/93/68/559189368.db2.gz ASTSUWUVJGEAIJ-OAHLLOKOSA-N 1 3 372.513 2.245 20 0 FEADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000414888910 559193243 /nfs/dbraw/zinc/19/32/43/559193243.db2.gz YIEUMGBRNZUVMV-GOSISDBHSA-N 1 3 360.502 2.115 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2cccs2)cc1 ZINC000414944191 559196333 /nfs/dbraw/zinc/19/63/33/559196333.db2.gz PDIDISUKDQTPHU-CQSZACIVSA-N 1 3 374.510 2.297 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414948134 559196726 /nfs/dbraw/zinc/19/67/26/559196726.db2.gz XRKKBBITAWQIBW-PMUMKWKESA-N 1 3 358.486 2.340 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414948134 559196727 /nfs/dbraw/zinc/19/67/27/559196727.db2.gz XRKKBBITAWQIBW-PMUMKWKESA-N 1 3 358.486 2.340 20 0 FEADHO FC(F)Oc1cccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414968771 559197638 /nfs/dbraw/zinc/19/76/38/559197638.db2.gz GJSLYHGMHQGWFC-ZDUSSCGKSA-N 1 3 353.335 2.214 20 0 FEADHO FC(F)(F)[C@H](CNCc1c[nH]nc1-c1ccsc1)N1CC[NH2+]CC1 ZINC000414989739 559199351 /nfs/dbraw/zinc/19/93/51/559199351.db2.gz QWYTULAVUPEQME-ZDUSSCGKSA-N 1 3 359.421 2.064 20 0 FEADHO C[C@@H]1CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC[C@H]1[NH3+] ZINC000415067956 559203511 /nfs/dbraw/zinc/20/35/11/559203511.db2.gz LUXZOBMLMMMGHI-CRAIPNDOSA-N 1 3 362.543 2.479 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000415107687 559205456 /nfs/dbraw/zinc/20/54/56/559205456.db2.gz JNLPOEVVCSSZMY-GOSISDBHSA-N 1 3 372.513 2.212 20 0 FEADHO CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415228835 559216525 /nfs/dbraw/zinc/21/65/25/559216525.db2.gz LOOIOXCFTIFKBF-UHFFFAOYSA-N 1 3 360.502 2.069 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)CCCN1C ZINC000415419729 559233543 /nfs/dbraw/zinc/23/35/43/559233543.db2.gz RCRJBZIZDBCODT-APWZRJJASA-N 1 3 369.513 2.324 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CN1Cc1ccccc1 ZINC000416010273 559289119 /nfs/dbraw/zinc/28/91/19/559289119.db2.gz QAIOKOWEGFAHSD-YUELXQCFSA-N 1 3 358.408 2.228 20 0 FEADHO COc1ccc([C@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000416810216 559333319 /nfs/dbraw/zinc/33/33/19/559333319.db2.gz BEIJJJDGJPLTDM-MJGOQNOKSA-N 1 3 360.502 2.273 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000416851799 559335300 /nfs/dbraw/zinc/33/53/00/559335300.db2.gz RMVHQNPHKDCDMY-UXHICEINSA-N 1 3 358.530 2.190 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000416972094 559341099 /nfs/dbraw/zinc/34/10/99/559341099.db2.gz RBXHRSIIJIGAGK-LJQANCHMSA-N 1 3 362.518 2.334 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417022474 559344266 /nfs/dbraw/zinc/34/42/66/559344266.db2.gz KVWRYQZUBOSRCC-FPOVZHCZSA-N 1 3 370.541 2.466 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417023913 559344508 /nfs/dbraw/zinc/34/45/08/559344508.db2.gz MGOMARVVPDRYEC-YZGWKJHDSA-N 1 3 356.514 2.122 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)N3CCC([NH3+])CC3)CC2)c1 ZINC000417052931 559345921 /nfs/dbraw/zinc/34/59/21/559345921.db2.gz QZUVINXDMBUIEP-UHFFFAOYSA-N 1 3 373.545 2.030 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417356957 559358940 /nfs/dbraw/zinc/35/89/40/559358940.db2.gz COCBERHCDIWBEE-YESZJQIVSA-N 1 3 362.543 2.211 20 0 FEADHO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](CCN(C)CCOC)c1ccccc1 ZINC000417520248 559365922 /nfs/dbraw/zinc/36/59/22/559365922.db2.gz WZWUJVVADKWARJ-OALUTQOASA-N 1 3 362.518 2.089 20 0 FEADHO CCC[NH2+]CCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417581720 559367701 /nfs/dbraw/zinc/36/77/01/559367701.db2.gz IDLPHPVSGQBMGI-UHFFFAOYSA-N 1 3 354.539 2.099 20 0 FEADHO C[C@@H]1CN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C[C@@H]1[NH3+] ZINC000417682373 559372225 /nfs/dbraw/zinc/37/22/25/559372225.db2.gz KZTRLJGAQXZOOX-MNEFBYGVSA-N 1 3 358.530 2.448 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)Cc2ccccc2C1 ZINC000417730285 559374347 /nfs/dbraw/zinc/37/43/47/559374347.db2.gz DMKKWYCFOIPMHV-PMACEKPBSA-N 1 3 370.541 2.117 20 0 FEADHO CC[C@H]([NH3+])CNC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000417821599 559377827 /nfs/dbraw/zinc/37/78/27/559377827.db2.gz IPNYWDSOHBBALL-SFHVURJKSA-N 1 3 362.518 2.094 20 0 FEADHO CC(C)C[C@H](CNC(=O)NC[C@@H]1CNCCO1)[NH2+][C@H](C)c1ccccc1 ZINC000417873151 559380240 /nfs/dbraw/zinc/38/02/40/559380240.db2.gz LIIATUMWKXOYIP-QRQLOZEOSA-N 1 3 362.518 2.040 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(OCCC[NH3+])CC2)CN1Cc1ccccc1 ZINC000417871994 559380317 /nfs/dbraw/zinc/38/03/17/559380317.db2.gz KILJTURJDQNSLB-IEBWSBKVSA-N 1 3 374.529 2.189 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCCNCc2cccnc2)C1 ZINC000417907509 559381540 /nfs/dbraw/zinc/38/15/40/559381540.db2.gz FLAADKKZZPWXBX-LJQANCHMSA-N 1 3 361.534 2.229 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCCNCc2cccnc2)C1 ZINC000417907509 559381541 /nfs/dbraw/zinc/38/15/41/559381541.db2.gz FLAADKKZZPWXBX-LJQANCHMSA-N 1 3 361.534 2.229 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000417944756 559383009 /nfs/dbraw/zinc/38/30/09/559383009.db2.gz WSTMIHOKFKUJGS-GJYPPUQNSA-N 1 3 359.518 2.376 20 0 FEADHO CC(C)[C@@H]([NH3+])CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418108795 559390379 /nfs/dbraw/zinc/39/03/79/559390379.db2.gz SCPFTNYQLFFANW-RUXDESIVSA-N 1 3 350.429 2.074 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CCN(CC(F)F)C2)CC1 ZINC000418129602 559391335 /nfs/dbraw/zinc/39/13/35/559391335.db2.gz DQWDEZMITQZMFK-QGZVFWFLSA-N 1 3 352.473 2.258 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)N3CC[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC000418164710 559392671 /nfs/dbraw/zinc/39/26/71/559392671.db2.gz HZOFLOBUQNLERC-FQEVSTJZSA-N 1 3 360.502 2.040 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)N(C)C)cc1 ZINC000418193581 559393595 /nfs/dbraw/zinc/39/35/95/559393595.db2.gz DCKNLABGZRQQIZ-GJYPPUQNSA-N 1 3 362.518 2.455 20 0 FEADHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418194829 559393662 /nfs/dbraw/zinc/39/36/62/559393662.db2.gz FSRUXTMQVAWHRT-MJGOQNOKSA-N 1 3 362.518 2.470 20 0 FEADHO CSC1(CNC(=O)NCC[NH2+]C2CCCCCC2)CCN(C)CC1 ZINC000418193683 559393672 /nfs/dbraw/zinc/39/36/72/559393672.db2.gz CRPQHOUERYVOBR-UHFFFAOYSA-N 1 3 356.580 2.425 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2CC[C@@](C)(C[NH3+])C2)N(C)C)cc1 ZINC000418229941 559394670 /nfs/dbraw/zinc/39/46/70/559394670.db2.gz ILLXJRBLDPTGOB-AEFFLSMTSA-N 1 3 350.532 2.392 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000418229491 559394716 /nfs/dbraw/zinc/39/47/16/559394716.db2.gz HDSIIKZBDZSIFX-QRTARXTBSA-N 1 3 350.532 2.438 20 0 FEADHO O=C(NCCC[NH2+]Cc1cccnc1)N1CCN(C2CCCCC2)CC1 ZINC000418331288 559397841 /nfs/dbraw/zinc/39/78/41/559397841.db2.gz QZKVCYDYXGWAGR-UHFFFAOYSA-N 1 3 359.518 2.221 20 0 FEADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000418332679 559397908 /nfs/dbraw/zinc/39/79/08/559397908.db2.gz DLEABCUVLMLMTO-NVXWUHKLSA-N 1 3 350.482 2.287 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000418354842 559398818 /nfs/dbraw/zinc/39/88/18/559398818.db2.gz WRFBBLUUACRNOM-FUHWJXTLSA-N 1 3 362.518 2.157 20 0 FEADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418380002 559399621 /nfs/dbraw/zinc/39/96/21/559399621.db2.gz KXAIVXYJKUKMHP-OAHLLOKOSA-N 1 3 358.408 2.141 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418399264 559400180 /nfs/dbraw/zinc/40/01/80/559400180.db2.gz DPYRZKRZJPJTCU-AEFFLSMTSA-N 1 3 350.482 2.416 20 0 FEADHO CN(C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])C1CCN(CCc2ccccn2)CC1 ZINC000418409827 559400589 /nfs/dbraw/zinc/40/05/89/559400589.db2.gz NYKSDGMQQKTNEN-XLIONFOSSA-N 1 3 373.545 2.247 20 0 FEADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000418414841 559400624 /nfs/dbraw/zinc/40/06/24/559400624.db2.gz MHUBAHALKIWTJY-UHFFFAOYSA-N 1 3 371.323 2.260 20 0 FEADHO CC(C)C[C@@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418450538 559402233 /nfs/dbraw/zinc/40/22/33/559402233.db2.gz UUIVFDXYJQOTAI-INIZCTEOSA-N 1 3 356.461 2.411 20 0 FEADHO CCN(C(=O)NCC[NH2+]CCOC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000418499407 559404033 /nfs/dbraw/zinc/40/40/33/559404033.db2.gz OAFMZNGLQTUJQH-HKUYNNGSSA-N 1 3 362.518 2.089 20 0 FEADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418553212 559405772 /nfs/dbraw/zinc/40/57/72/559405772.db2.gz CGTDOUWHWJCTNC-SUMWQHHRSA-N 1 3 354.445 2.036 20 0 FEADHO Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000418550061 559405855 /nfs/dbraw/zinc/40/58/55/559405855.db2.gz NWBXBGDFJASVED-HZPDHXFCSA-N 1 3 365.547 2.057 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418588032 559407159 /nfs/dbraw/zinc/40/71/59/559407159.db2.gz HMROVYCFJUQKFC-CXAGYDPISA-N 1 3 354.445 2.036 20 0 FEADHO COC[C@@]1(CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CCC[NH2+]1 ZINC000418658960 559410124 /nfs/dbraw/zinc/41/01/24/559410124.db2.gz VCMGOVYPUYZILE-NRFANRHFSA-N 1 3 374.529 2.061 20 0 FEADHO CN(C)CCOC1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418667899 559410396 /nfs/dbraw/zinc/41/03/96/559410396.db2.gz HRHCGIAYAOSUHW-LJQANCHMSA-N 1 3 362.518 2.219 20 0 FEADHO C[C@H]1C[C@@H]1N1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@@H](C)C1 ZINC000418680963 559411022 /nfs/dbraw/zinc/41/10/22/559411022.db2.gz GBHSICSXUXWBGD-HNULKUCHSA-N 1 3 356.514 2.114 20 0 FEADHO C[C@H](CCCC[NH3+])NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418709501 559411982 /nfs/dbraw/zinc/41/19/82/559411982.db2.gz UNVCLSARPXWQIG-ZACQAIPSSA-N 1 3 354.539 2.035 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000420325186 559480679 /nfs/dbraw/zinc/48/06/79/559480679.db2.gz BENVWIWRKMJWET-BHYGNILZSA-N 1 3 363.477 2.113 20 0 FEADHO CC(C)c1ccc(OCCNC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420331798 559481293 /nfs/dbraw/zinc/48/12/93/559481293.db2.gz JCFLRVAGFMBZRN-KDURUIRLSA-N 1 3 359.514 2.236 20 0 FEADHO O=C(CN1CCC[C@@H](CCO)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000421019276 559519938 /nfs/dbraw/zinc/51/99/38/559519938.db2.gz PJHBRFINKSSKFB-LJQANCHMSA-N 1 3 373.541 2.383 20 0 FEADHO CC[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)CCO1 ZINC000422242236 559573009 /nfs/dbraw/zinc/57/30/09/559573009.db2.gz UAVZCCFUTZXPHU-RCCFBDPRSA-N 1 3 354.539 2.002 20 0 FEADHO CC[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)CCO1 ZINC000422242236 559573010 /nfs/dbraw/zinc/57/30/10/559573010.db2.gz UAVZCCFUTZXPHU-RCCFBDPRSA-N 1 3 354.539 2.002 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CCC[C@H]2C[NH3+])s1 ZINC000422707444 559603749 /nfs/dbraw/zinc/60/37/49/559603749.db2.gz AAOOTROFBIZKCU-ZFWWWQNUSA-N 1 3 359.561 2.038 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CCC[C@H]2CN)s1 ZINC000422707444 559603750 /nfs/dbraw/zinc/60/37/50/559603750.db2.gz AAOOTROFBIZKCU-ZFWWWQNUSA-N 1 3 359.561 2.038 20 0 FEADHO CN1CCN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422709557 559603812 /nfs/dbraw/zinc/60/38/12/559603812.db2.gz KQQGRDOIYAKRLT-YPAWHYETSA-N 1 3 356.558 2.444 20 0 FEADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCCN(c3ccccc3)C2=O)CC[NH2+]CC1 ZINC000422746754 559605307 /nfs/dbraw/zinc/60/53/07/559605307.db2.gz XFTAYJPVGABGAH-AEFFLSMTSA-N 1 3 373.497 2.093 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422758167 559605719 /nfs/dbraw/zinc/60/57/19/559605719.db2.gz JCVGQFIRSABBJN-LJISPDSOSA-N 1 3 355.429 2.209 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000422780889 559606344 /nfs/dbraw/zinc/60/63/44/559606344.db2.gz KYKJREOTMGHISB-WQANXHIZSA-N 1 3 367.921 2.055 20 0 FEADHO CCC[C@H](N[C@H](CCC[NH3+])COC)C(=O)N1CCc2sccc2C1 ZINC000422911307 559611050 /nfs/dbraw/zinc/61/10/50/559611050.db2.gz SQRRPDILLSAUIR-CVEARBPZSA-N 1 3 353.532 2.145 20 0 FEADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)N)CC2)cs1 ZINC000422912418 559611193 /nfs/dbraw/zinc/61/11/93/559611193.db2.gz NBVGFDUVLSQHBV-JCGIZDLHSA-N 1 3 366.575 2.259 20 0 FEADHO COc1cc(OC)cc(OCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422930433 559611762 /nfs/dbraw/zinc/61/17/62/559611762.db2.gz UIGYMUZJQNWOQQ-XUVXKRRUSA-N 1 3 364.486 2.219 20 0 FEADHO C[C@H](CCCC[NH3+])NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000422933702 559611998 /nfs/dbraw/zinc/61/19/98/559611998.db2.gz IFNOVINGKWWHNC-MRXNPFEDSA-N 1 3 353.532 2.468 20 0 FEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422938356 559612063 /nfs/dbraw/zinc/61/20/63/559612063.db2.gz KPPZKALERCYYFJ-VQIMIIECSA-N 1 3 350.938 2.440 20 0 FEADHO OCCOc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422943089 559612341 /nfs/dbraw/zinc/61/23/41/559612341.db2.gz JZXBNGXJLNVGML-PZJWPPBQSA-N 1 3 354.450 2.403 20 0 FEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000422963122 559613057 /nfs/dbraw/zinc/61/30/57/559613057.db2.gz HOYLEHAMBHXHOV-CWFSZBLJSA-N 1 3 354.498 2.135 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2ccnc(OC3CCC3)c2)CC[NH2+]CC1 ZINC000423014889 559615111 /nfs/dbraw/zinc/61/51/11/559615111.db2.gz QBHDHQUAMFHGDH-HNNXBMFYSA-N 1 3 361.486 2.424 20 0 FEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000423012590 559615119 /nfs/dbraw/zinc/61/51/19/559615119.db2.gz LDBVRPZVGWLUCV-KSSFIOAISA-N 1 3 369.506 2.086 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423067274 559617182 /nfs/dbraw/zinc/61/71/82/559617182.db2.gz GTHQFVPFIDGQSC-GXTWGEPZSA-N 1 3 360.285 2.442 20 0 FEADHO CC[C@H](NCc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423193689 559622570 /nfs/dbraw/zinc/62/25/70/559622570.db2.gz VWYUCYDIYPLHQB-PMACEKPBSA-N 1 3 358.530 2.004 20 0 FEADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423201054 559622637 /nfs/dbraw/zinc/62/26/37/559622637.db2.gz HDXXUCBOEQJMHQ-WMZOPIPTSA-N 1 3 365.493 2.329 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)N(C)C)cc1 ZINC000423344561 559626099 /nfs/dbraw/zinc/62/60/99/559626099.db2.gz NBTLPZALAKZGGI-RTBURBONSA-N 1 3 355.486 2.149 20 0 FEADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(-n2cccn2)cc1 ZINC000423378309 559627186 /nfs/dbraw/zinc/62/71/86/559627186.db2.gz FRETYATXUAMPAT-YOEHRIQHSA-N 1 3 367.419 2.359 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)COC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000423388682 559627496 /nfs/dbraw/zinc/62/74/96/559627496.db2.gz KVGDIXZSQGMEPL-IEBWSBKVSA-N 1 3 359.514 2.267 20 0 FEADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(-n2ccnc2)cc1 ZINC000423389023 559627540 /nfs/dbraw/zinc/62/75/40/559627540.db2.gz NFUSUMKBZTWSDN-YOEHRIQHSA-N 1 3 367.419 2.359 20 0 FEADHO CC(=O)Nc1ccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423393898 559627625 /nfs/dbraw/zinc/62/76/25/559627625.db2.gz ROKHSTZNJABNAX-LRDDRELGSA-N 1 3 358.408 2.132 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCC[NH2+][C@H]3C)CC2)C[C@H](C)O1 ZINC000423430456 559629028 /nfs/dbraw/zinc/62/90/28/559629028.db2.gz MPHNDGFRQJYARX-MJQMVNBJSA-N 1 3 351.535 2.112 20 0 FEADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000423442962 559629210 /nfs/dbraw/zinc/62/92/10/559629210.db2.gz PXIIZSKVDGFJHH-IBGZPJMESA-N 1 3 351.535 2.388 20 0 FEADHO CN(C)CCN(Cc1ccccc1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423737405 559637508 /nfs/dbraw/zinc/63/75/08/559637508.db2.gz TZYRHCROMAOEPO-LJQANCHMSA-N 1 3 355.486 2.012 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000423800909 559639771 /nfs/dbraw/zinc/63/97/71/559639771.db2.gz SAXZFXCDQVLTQG-MUGJNUQGSA-N 1 3 356.514 2.283 20 0 FEADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000423840462 559642169 /nfs/dbraw/zinc/64/21/69/559642169.db2.gz DZBJWAVZBSZZPO-ZVDOUQERSA-N 1 3 359.514 2.301 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000423852467 559642785 /nfs/dbraw/zinc/64/27/85/559642785.db2.gz RQTKEPJTAYOCEH-JXFKEZNVSA-N 1 3 352.482 2.293 20 0 FEADHO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000423852467 559642786 /nfs/dbraw/zinc/64/27/86/559642786.db2.gz RQTKEPJTAYOCEH-JXFKEZNVSA-N 1 3 352.482 2.293 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000423852467 559642787 /nfs/dbraw/zinc/64/27/87/559642787.db2.gz RQTKEPJTAYOCEH-JXFKEZNVSA-N 1 3 352.482 2.293 20 0 FEADHO C[C@@H]1C[C@H](CCNC(=O)[C@H](N)C2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000423905857 559644863 /nfs/dbraw/zinc/64/48/63/559644863.db2.gz PSAQIKHNCCYUOT-IMFGXOCKSA-N 1 3 359.514 2.157 20 0 FEADHO C[C@@H]1C[C@H](CCNC(=O)[C@H](N)C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000423905857 559644864 /nfs/dbraw/zinc/64/48/64/559644864.db2.gz PSAQIKHNCCYUOT-IMFGXOCKSA-N 1 3 359.514 2.157 20 0 FEADHO CC[C@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)N(C)Cc1ccccc1 ZINC000423942418 559647236 /nfs/dbraw/zinc/64/72/36/559647236.db2.gz AXSAQGCIGBGLQF-XVAXZDLZSA-N 1 3 372.557 2.230 20 0 FEADHO CC[C@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)N(C)Cc1ccccc1 ZINC000423942418 559647237 /nfs/dbraw/zinc/64/72/37/559647237.db2.gz AXSAQGCIGBGLQF-XVAXZDLZSA-N 1 3 372.557 2.230 20 0 FEADHO Cc1cc(CN)cc(NC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000424441226 559665003 /nfs/dbraw/zinc/66/50/03/559665003.db2.gz WKUVGRYTYVTLTI-QZTJIDSGSA-N 1 3 373.545 2.476 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc(NC(C)=O)c1 ZINC000424632737 559671834 /nfs/dbraw/zinc/67/18/34/559671834.db2.gz CEYDILAOGMSGCA-FQEVSTJZSA-N 1 3 374.529 2.062 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc(NC(C)=O)c1 ZINC000424632737 559671835 /nfs/dbraw/zinc/67/18/35/559671835.db2.gz CEYDILAOGMSGCA-FQEVSTJZSA-N 1 3 374.529 2.062 20 0 FEADHO CC(C)[C@@H](CNC(=O)N1CCC[C@H]2CN(C)C[C@H]21)[NH+]1CCC(C)CC1 ZINC000425645024 559712838 /nfs/dbraw/zinc/71/28/38/559712838.db2.gz BASHYCWCVMGKLA-IPMKNSEASA-N 1 3 350.551 2.479 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426950841 559744726 /nfs/dbraw/zinc/74/47/26/559744726.db2.gz IESGJHIFDVRKDY-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426950841 559744727 /nfs/dbraw/zinc/74/47/27/559744727.db2.gz IESGJHIFDVRKDY-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO CN1CCN(CCCNC(=O)C[C@@H]2CCC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000427291304 559752403 /nfs/dbraw/zinc/75/24/03/559752403.db2.gz FDPICEIRFBHVSF-TZIWHRDSSA-N 1 3 372.557 2.261 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)C[C@@H]3CCC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000427299299 559752578 /nfs/dbraw/zinc/75/25/78/559752578.db2.gz LNWCVCCSENWSRZ-FGTMMUONSA-N 1 3 351.535 2.114 20 0 FEADHO CCC1(CC)[C@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)[C@H](C)[C@H]1OC ZINC000429322215 559796061 /nfs/dbraw/zinc/79/60/61/559796061.db2.gz JDHJLSDAPVRYBW-GDIGMMSISA-N 1 3 351.535 2.159 20 0 FEADHO COc1cc(NC(=O)CCN2CCC[C@H]([C@H](C)[NH3+])C2)cc(OC)c1OC ZINC000430548162 559822289 /nfs/dbraw/zinc/82/22/89/559822289.db2.gz GHAKPDGBULKXOV-KBPBESRZSA-N 1 3 365.474 2.100 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000430595127 559824115 /nfs/dbraw/zinc/82/41/15/559824115.db2.gz HDKCQNBMOKMUGQ-FPOVZHCZSA-N 1 3 372.557 2.089 20 0 FEADHO [NH3+]C[C@@H]1CCN(CCCOc2cccc(I)c2)C1 ZINC000430954340 559831406 /nfs/dbraw/zinc/83/14/06/559831406.db2.gz JCQHDEPUGDJATI-LBPRGKRZSA-N 1 3 360.239 2.341 20 0 FEADHO [NH3+]C1CCN(CCCC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000433116656 559872150 /nfs/dbraw/zinc/87/21/50/559872150.db2.gz MPJSXQHFCKGTEQ-NRFANRHFSA-N 1 3 372.557 2.361 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NCC(C)(C)[NH+]2CCCCC2)CCCO1 ZINC000433282959 559875625 /nfs/dbraw/zinc/87/56/25/559875625.db2.gz AVZVIPGKBHRXHN-QGZVFWFLSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433278153 559875666 /nfs/dbraw/zinc/87/56/66/559875666.db2.gz FLWKBZIHHNFYAC-OALUTQOASA-N 1 3 368.566 2.299 20 0 FEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433278153 559875667 /nfs/dbraw/zinc/87/56/67/559875667.db2.gz FLWKBZIHHNFYAC-OALUTQOASA-N 1 3 368.566 2.299 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCCO1 ZINC000433398347 559879958 /nfs/dbraw/zinc/87/99/58/559879958.db2.gz FZCLPWKEGLQHFP-PKOBYXMFSA-N 1 3 366.550 2.051 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCCO1 ZINC000433398347 559879959 /nfs/dbraw/zinc/87/99/59/559879959.db2.gz FZCLPWKEGLQHFP-PKOBYXMFSA-N 1 3 366.550 2.051 20 0 FEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000434506802 559901683 /nfs/dbraw/zinc/90/16/83/559901683.db2.gz WSDAHISLKGZODT-RTWAWAEBSA-N 1 3 370.541 2.284 20 0 FEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000434506802 559901684 /nfs/dbraw/zinc/90/16/84/559901684.db2.gz WSDAHISLKGZODT-RTWAWAEBSA-N 1 3 370.541 2.284 20 0 FEADHO C[NH+](C)[C@@H](CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000438877524 559984897 /nfs/dbraw/zinc/98/48/97/559984897.db2.gz APGOTBZQAKITNR-ICSRJNTNSA-N 1 3 350.466 2.457 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000439697432 559999027 /nfs/dbraw/zinc/99/90/27/559999027.db2.gz SRCSDCQLWUQYFR-RTBURBONSA-N 1 3 351.535 2.257 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000439697432 559999028 /nfs/dbraw/zinc/99/90/28/559999028.db2.gz SRCSDCQLWUQYFR-RTBURBONSA-N 1 3 351.535 2.257 20 0 FEADHO CSc1ccccc1[C@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000442799251 560057701 /nfs/dbraw/zinc/05/77/01/560057701.db2.gz ZUCBZZSRJCQIEB-KRWDZBQOSA-N 1 3 351.560 2.449 20 0 FEADHO CN(CCCOc1ccc(F)cc1)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443067547 560068872 /nfs/dbraw/zinc/06/88/72/560068872.db2.gz GXRGBOCZXKOOFR-MRXNPFEDSA-N 1 3 351.466 2.114 20 0 FEADHO CN(C)CCN(C(=O)C(=O)Nc1ccccc1CC[NH+](C)C)C1CCCC1 ZINC000446167902 560140977 /nfs/dbraw/zinc/14/09/77/560140977.db2.gz LZIPDEAXAJZNPZ-UHFFFAOYSA-N 1 3 374.529 2.062 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000446370984 560145103 /nfs/dbraw/zinc/14/51/03/560145103.db2.gz NQZGZWNHMGWCSL-WAOWUJCRSA-N 1 3 363.546 2.432 20 0 FEADHO COc1ccc([C@@H](CCn2cncn2)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000446750450 560151075 /nfs/dbraw/zinc/15/10/75/560151075.db2.gz GRHSNNOBIACLID-OXQOHEQNSA-N 1 3 355.486 2.492 20 0 FEADHO COc1ccc([C@@H](CCn2cncn2)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000446750450 560151076 /nfs/dbraw/zinc/15/10/76/560151076.db2.gz GRHSNNOBIACLID-OXQOHEQNSA-N 1 3 355.486 2.492 20 0 FEADHO COc1nccc(CNCCCC[NH+]2CCN(c3cccc(C)c3)CC2)n1 ZINC000449077746 560215127 /nfs/dbraw/zinc/21/51/27/560215127.db2.gz WNZNWYWFQWDBOJ-UHFFFAOYSA-N 1 3 369.513 2.486 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)COC1CCC([NH3+])CC1 ZINC000449163792 560218633 /nfs/dbraw/zinc/21/86/33/560218633.db2.gz XALJVGHDGLPWIS-UHFFFAOYSA-N 1 3 351.466 2.002 20 0 FEADHO COC[C@@]1(CO)CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000449701580 560237479 /nfs/dbraw/zinc/23/74/79/560237479.db2.gz SZTMBHGZJNSUKX-NRFANRHFSA-N 1 3 361.530 2.048 20 0 FEADHO C[C@H]1Cc2cccc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2O1 ZINC000449822276 560241302 /nfs/dbraw/zinc/24/13/02/560241302.db2.gz VHFCZGPAPISLGV-HNNXBMFYSA-N 1 3 357.498 2.298 20 0 FEADHO CC[C@@H](C)N1CCN(c2cncc(N3CC[NH+]([C@H](C)CC)CC3)n2)CC1 ZINC000450860990 560276028 /nfs/dbraw/zinc/27/60/28/560276028.db2.gz PCPWSLXCPWKYSX-QZTJIDSGSA-N 1 3 360.550 2.318 20 0 FEADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(C[C@@H](O)CCC(C)C)C2)CC1 ZINC000451524622 560311959 /nfs/dbraw/zinc/31/19/59/560311959.db2.gz CYSJXXULWWGGCO-PMACEKPBSA-N 1 3 353.551 2.050 20 0 FEADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(C[C@@H](O)CCC(C)C)C2)CC1 ZINC000451524622 560311960 /nfs/dbraw/zinc/31/19/60/560311960.db2.gz CYSJXXULWWGGCO-PMACEKPBSA-N 1 3 353.551 2.050 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1)C(C)C ZINC000452355887 560359852 /nfs/dbraw/zinc/35/98/52/560359852.db2.gz ZEIJMHOVMZORKO-HXUWFJFHSA-N 1 3 361.530 2.494 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1)C(C)C ZINC000452355887 560359853 /nfs/dbraw/zinc/35/98/53/560359853.db2.gz ZEIJMHOVMZORKO-HXUWFJFHSA-N 1 3 361.530 2.494 20 0 FEADHO CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)N(C)C ZINC000453016205 560381186 /nfs/dbraw/zinc/38/11/86/560381186.db2.gz LQNUODBRTOBPOH-LJQANCHMSA-N 1 3 360.502 2.066 20 0 FEADHO COC1([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CCOCC1 ZINC000453074815 560382851 /nfs/dbraw/zinc/38/28/51/560382851.db2.gz VNIROZQEPRBKTN-GOSISDBHSA-N 1 3 361.530 2.108 20 0 FEADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CC(N4CCC(C(F)(F)F)CC4)C3)C[C@@H]21 ZINC000454874263 560461825 /nfs/dbraw/zinc/46/18/25/560461825.db2.gz OVGUZEPPJSRZKR-KKOFPSKJSA-N 1 3 374.451 2.137 20 0 FEADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC3CC(N4CCC(C(F)(F)F)CC4)C3)C[C@@H]21 ZINC000454874263 560461826 /nfs/dbraw/zinc/46/18/26/560461826.db2.gz OVGUZEPPJSRZKR-KKOFPSKJSA-N 1 3 374.451 2.137 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccnn1CCN(C)C ZINC000455662106 560490898 /nfs/dbraw/zinc/49/08/98/560490898.db2.gz VDYJHAXTJJTDOC-MRXNPFEDSA-N 1 3 350.511 2.077 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccnn1CCN(C)C ZINC000455662106 560490899 /nfs/dbraw/zinc/49/08/99/560490899.db2.gz VDYJHAXTJJTDOC-MRXNPFEDSA-N 1 3 350.511 2.077 20 0 FEADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3CCCN3CCCO)ccc21 ZINC000455835261 560496940 /nfs/dbraw/zinc/49/69/40/560496940.db2.gz ABAWGFHXVQWMGW-PKOBYXMFSA-N 1 3 360.502 2.204 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H](C4CC4)[C@H]3C3CC3)CC2)CC1 ZINC000458142976 560605105 /nfs/dbraw/zinc/60/51/05/560605105.db2.gz ZUAMUOUMJASEJC-VQTJNVASSA-N 1 3 360.546 2.375 20 0 FEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000458386706 560619291 /nfs/dbraw/zinc/61/92/91/560619291.db2.gz WOOMFQMFCVGFTJ-MSOLQXFVSA-N 1 3 368.566 2.033 20 0 FEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000458386706 560619292 /nfs/dbraw/zinc/61/92/92/560619292.db2.gz WOOMFQMFCVGFTJ-MSOLQXFVSA-N 1 3 368.566 2.033 20 0 FEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000458385405 560619377 /nfs/dbraw/zinc/61/93/77/560619377.db2.gz VHVHAIWDENBEOM-ZWKOTPCHSA-N 1 3 368.566 2.033 20 0 FEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000458385405 560619378 /nfs/dbraw/zinc/61/93/78/560619378.db2.gz VHVHAIWDENBEOM-ZWKOTPCHSA-N 1 3 368.566 2.033 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NCCNc2cc[nH+]cc2)N(C)C)cc1 ZINC000458878963 560653587 /nfs/dbraw/zinc/65/35/87/560653587.db2.gz BXCDIGQBRPLXAQ-SFHVURJKSA-N 1 3 373.526 2.239 20 0 FEADHO CS(=O)(=O)Nc1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459368938 560682712 /nfs/dbraw/zinc/68/27/12/560682712.db2.gz DVUSLRMEQGSJJQ-UHFFFAOYSA-N 1 3 360.483 2.212 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)CC[N@@H+]1C ZINC000465655671 560870680 /nfs/dbraw/zinc/87/06/80/560870680.db2.gz ISQJLYNAJZWJEO-JKSUJKDBSA-N 1 3 354.564 2.130 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)CC[N@H+]1C ZINC000465655671 560870681 /nfs/dbraw/zinc/87/06/81/560870681.db2.gz ISQJLYNAJZWJEO-JKSUJKDBSA-N 1 3 354.564 2.130 20 0 FEADHO COCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000465749665 560872102 /nfs/dbraw/zinc/87/21/02/560872102.db2.gz IXAJDDSOGZPFHL-IEBWSBKVSA-N 1 3 362.518 2.089 20 0 FEADHO COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000465749665 560872103 /nfs/dbraw/zinc/87/21/03/560872103.db2.gz IXAJDDSOGZPFHL-IEBWSBKVSA-N 1 3 362.518 2.089 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccccc2F)CC[N@@H+]1C ZINC000466034037 560878471 /nfs/dbraw/zinc/87/84/71/560878471.db2.gz DSYJFYORYJYVFF-RDJZCZTQSA-N 1 3 350.482 2.382 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccccc2F)CC[N@H+]1C ZINC000466034037 560878472 /nfs/dbraw/zinc/87/84/72/560878472.db2.gz DSYJFYORYJYVFF-RDJZCZTQSA-N 1 3 350.482 2.382 20 0 FEADHO CC[C@@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[NH+](CC)CC ZINC000468416070 560929307 /nfs/dbraw/zinc/92/93/07/560929307.db2.gz FVSABHDFTAPCLR-FQEVSTJZSA-N 1 3 360.546 2.171 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000469982351 560970624 /nfs/dbraw/zinc/97/06/24/560970624.db2.gz MTDKJBPSBHDPDD-FQEVSTJZSA-N 1 3 356.514 2.137 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000469982351 560970625 /nfs/dbraw/zinc/97/06/25/560970625.db2.gz MTDKJBPSBHDPDD-FQEVSTJZSA-N 1 3 356.514 2.137 20 0 FEADHO C[C@@H](CN1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cccc(Br)c1 ZINC000470008838 560971971 /nfs/dbraw/zinc/97/19/71/560971971.db2.gz NGYIVIWOVKTPFD-DZGCQCFKSA-N 1 3 368.319 2.340 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC000471975693 561015325 /nfs/dbraw/zinc/01/53/25/561015325.db2.gz COHOTKJRJOYWTD-FFGOWVMKSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC000471975693 561015326 /nfs/dbraw/zinc/01/53/26/561015326.db2.gz COHOTKJRJOYWTD-FFGOWVMKSA-N 1 3 356.514 2.243 20 0 FEADHO CN(CCN(C)C1CC1)c1ncc(Cl)c(N(C)CC[N@H+](C)C2CC2)n1 ZINC000472656117 561032211 /nfs/dbraw/zinc/03/22/11/561032211.db2.gz RNRASYWTPQSNGE-UHFFFAOYSA-N 1 3 366.941 2.191 20 0 FEADHO CN(CCN(C)C1CC1)c1ncc(Cl)c(N(C)CC[N@@H+](C)C2CC2)n1 ZINC000472656117 561032212 /nfs/dbraw/zinc/03/22/12/561032212.db2.gz RNRASYWTPQSNGE-UHFFFAOYSA-N 1 3 366.941 2.191 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC000475438459 561097058 /nfs/dbraw/zinc/09/70/58/561097058.db2.gz ODAHIKOHZDRYSD-IBGZPJMESA-N 1 3 358.530 2.177 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cc(F)ccc1OC ZINC000476358845 561117530 /nfs/dbraw/zinc/11/75/30/561117530.db2.gz VQIVIVMTVDMOPB-GOSISDBHSA-N 1 3 365.493 2.251 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cc(F)ccc1OC ZINC000476358845 561117531 /nfs/dbraw/zinc/11/75/31/561117531.db2.gz VQIVIVMTVDMOPB-GOSISDBHSA-N 1 3 365.493 2.251 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2cc(=O)[nH]cc21 ZINC000528335868 562323311 /nfs/dbraw/zinc/32/33/11/562323311.db2.gz PJNSWBKLWATJEH-KRWDZBQOSA-N 1 3 370.497 2.429 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2cc(=O)[nH]cc21 ZINC000528335868 562323312 /nfs/dbraw/zinc/32/33/12/562323312.db2.gz PJNSWBKLWATJEH-KRWDZBQOSA-N 1 3 370.497 2.429 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000529284354 562367254 /nfs/dbraw/zinc/36/72/54/562367254.db2.gz TVXIYVWKTAUYSI-WOJBJXKFSA-N 1 3 374.529 2.089 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000529290038 562367462 /nfs/dbraw/zinc/36/74/62/562367462.db2.gz ISJLWIQFUOOLOC-FQEVSTJZSA-N 1 3 374.529 2.048 20 0 FEADHO O=C(NC[C@H]1CCN1C1CCCCC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000529718004 562382543 /nfs/dbraw/zinc/38/25/43/562382543.db2.gz HJLDFEUHQZNQBY-IRLDBZIGSA-N 1 3 371.525 2.147 20 0 FEADHO O=C(NC[C@H]1CCN1C1CCCCC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000529718004 562382544 /nfs/dbraw/zinc/38/25/44/562382544.db2.gz HJLDFEUHQZNQBY-IRLDBZIGSA-N 1 3 371.525 2.147 20 0 FEADHO FC1(F)Oc2cccc(CCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2O1 ZINC000530215562 562402833 /nfs/dbraw/zinc/40/28/33/562402833.db2.gz HMXLXCMRKKABBB-RRFJBIMHSA-N 1 3 354.397 2.297 20 0 FEADHO CC(C)(CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(=O)N1CCCC1 ZINC000530224556 562402983 /nfs/dbraw/zinc/40/29/83/562402983.db2.gz QZHADUZKFXXVIO-UTKZUKDTSA-N 1 3 357.498 2.481 20 0 FEADHO C[C@@H](CNC(=O)CC1(N2CCOCC2)CCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000530571866 562416290 /nfs/dbraw/zinc/41/62/90/562416290.db2.gz OHBUQAZANLZUHX-ROUUACIJSA-N 1 3 351.535 2.401 20 0 FEADHO C[C@@H](CNC(=O)CC1(N2CCOCC2)CCCC1)[N@H+]1CCCC[C@@H]1C ZINC000530571866 562416291 /nfs/dbraw/zinc/41/62/91/562416291.db2.gz OHBUQAZANLZUHX-ROUUACIJSA-N 1 3 351.535 2.401 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531289297 562440817 /nfs/dbraw/zinc/44/08/17/562440817.db2.gz GCDGFLKXUDCSFL-UGKGYDQZSA-N 1 3 373.541 2.394 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531289297 562440818 /nfs/dbraw/zinc/44/08/18/562440818.db2.gz GCDGFLKXUDCSFL-UGKGYDQZSA-N 1 3 373.541 2.394 20 0 FEADHO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(C)nn2C2CCN(C)CC2)C1 ZINC000531427870 562445535 /nfs/dbraw/zinc/44/55/35/562445535.db2.gz JZBSWFPGHZELRF-KRWDZBQOSA-N 1 3 362.522 2.406 20 0 FEADHO C[C@H]1COCCN1CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000531594414 562451095 /nfs/dbraw/zinc/45/10/95/562451095.db2.gz HMPKVHRAKGBFOZ-SFHVURJKSA-N 1 3 360.546 2.027 20 0 FEADHO C[C@H]1COCCN1CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000531594414 562451096 /nfs/dbraw/zinc/45/10/96/562451096.db2.gz HMPKVHRAKGBFOZ-SFHVURJKSA-N 1 3 360.546 2.027 20 0 FEADHO Cc1cc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)n(C2CCN(C)CC2)n1 ZINC000531793960 562456824 /nfs/dbraw/zinc/45/68/24/562456824.db2.gz FLLUANLGULSQMY-HNNXBMFYSA-N 1 3 362.522 2.312 20 0 FEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)CC[C@H]21 ZINC000532527234 562480357 /nfs/dbraw/zinc/48/03/57/562480357.db2.gz HVPIYGDERFXXSJ-VAMGGRTRSA-N 1 3 356.514 2.236 20 0 FEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)CC[C@H]21 ZINC000532527234 562480358 /nfs/dbraw/zinc/48/03/58/562480358.db2.gz HVPIYGDERFXXSJ-VAMGGRTRSA-N 1 3 356.514 2.236 20 0 FEADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000533639477 562515287 /nfs/dbraw/zinc/51/52/87/562515287.db2.gz FYPCTCBKSBIEHA-RLLQIKCJSA-N 1 3 359.514 2.331 20 0 FEADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000533639477 562515288 /nfs/dbraw/zinc/51/52/88/562515288.db2.gz FYPCTCBKSBIEHA-RLLQIKCJSA-N 1 3 359.514 2.331 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000534525398 562535990 /nfs/dbraw/zinc/53/59/90/562535990.db2.gz WOVWNOYYQJUJAC-UHFFFAOYSA-N 1 3 367.497 2.188 20 0 FEADHO CN1CC[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC000535435616 562558787 /nfs/dbraw/zinc/55/87/87/562558787.db2.gz HYXSGQFYDNAVHF-UXHICEINSA-N 1 3 374.529 2.184 20 0 FEADHO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CN2CCN1CCC2 ZINC000536537920 562578210 /nfs/dbraw/zinc/57/82/10/562578210.db2.gz HSMUEAPRXOTGLN-FQEVSTJZSA-N 1 3 356.514 2.391 20 0 FEADHO CC(C)[N@H+](C)CC1CCN(CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000540965982 562598859 /nfs/dbraw/zinc/59/88/59/562598859.db2.gz UCROFFPTQGZDLM-UHFFFAOYSA-N 1 3 359.514 2.428 20 0 FEADHO CC(C)[N@@H+](C)CC1CCN(CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000540965982 562598860 /nfs/dbraw/zinc/59/88/60/562598860.db2.gz UCROFFPTQGZDLM-UHFFFAOYSA-N 1 3 359.514 2.428 20 0 FEADHO C[NH+](C)CCCN[C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000541548421 562615069 /nfs/dbraw/zinc/61/50/69/562615069.db2.gz DHFCMEKHDDICQL-GOSISDBHSA-N 1 3 366.937 2.120 20 0 FEADHO NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN1CCCCC1 ZINC000556050165 674386067 /nfs/dbraw/zinc/38/60/67/674386067.db2.gz CDJHSKYELKIHJW-SFHVURJKSA-N 1 3 351.516 2.177 20 0 FEADHO COC(=O)c1[nH]c(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1C ZINC000602688568 568011575 /nfs/dbraw/zinc/01/15/75/568011575.db2.gz CTFGFHVIUQOEQM-UHFFFAOYSA-N 1 3 371.481 2.226 20 0 FEADHO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000652644122 568051729 /nfs/dbraw/zinc/05/17/29/568051729.db2.gz OQUFOIHEWGZHOK-UHFFFAOYSA-N 1 3 372.513 2.117 20 0 FEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000563093385 568119778 /nfs/dbraw/zinc/11/97/78/568119778.db2.gz RGIGKTGPZPLZLK-JKSUJKDBSA-N 1 3 354.539 2.225 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccccc1 ZINC000604156816 568217871 /nfs/dbraw/zinc/21/78/71/568217871.db2.gz CZJZYOXVZGUGDU-LJQANCHMSA-N 1 3 362.518 2.042 20 0 FEADHO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000604204151 568228104 /nfs/dbraw/zinc/22/81/04/568228104.db2.gz ZXEURYATMGIGIH-HNNXBMFYSA-N 1 3 366.456 2.275 20 0 FEADHO c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc(-c2nnn[n-]2)n1 ZINC000826515740 607485671 /nfs/dbraw/zinc/48/56/71/607485671.db2.gz JHQCQQISKRKWFU-UHFFFAOYSA-N 1 3 355.490 2.350 20 0 FEADHO COc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1-c1nnn[n-]1 ZINC000826194218 607494864 /nfs/dbraw/zinc/49/48/64/607494864.db2.gz FPQQTQBTOTUNAG-UHFFFAOYSA-N 1 3 358.490 2.428 20 0 FEADHO COc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1-c1nnn[n-]1 ZINC000826194218 607494866 /nfs/dbraw/zinc/49/48/66/607494866.db2.gz FPQQTQBTOTUNAG-UHFFFAOYSA-N 1 3 358.490 2.428 20 0 FEADHO COc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1-c1nn[n-]n1 ZINC000826194218 607494868 /nfs/dbraw/zinc/49/48/68/607494868.db2.gz FPQQTQBTOTUNAG-UHFFFAOYSA-N 1 3 358.490 2.428 20 0 FEADHO COc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1-c1nn[n-]n1 ZINC000826194218 607494869 /nfs/dbraw/zinc/49/48/69/607494869.db2.gz FPQQTQBTOTUNAG-UHFFFAOYSA-N 1 3 358.490 2.428 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000637264944 677125217 /nfs/dbraw/zinc/12/52/17/677125217.db2.gz NNXWSTWFYXYWCO-UONOGXRCSA-N 1 3 352.445 2.242 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000637264944 677125218 /nfs/dbraw/zinc/12/52/18/677125218.db2.gz NNXWSTWFYXYWCO-UONOGXRCSA-N 1 3 352.445 2.242 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000825577236 608516199 /nfs/dbraw/zinc/51/61/99/608516199.db2.gz UIABRSWEXYVQQM-WMZOPIPTSA-N 1 3 358.490 2.191 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825577236 608516201 /nfs/dbraw/zinc/51/62/01/608516201.db2.gz UIABRSWEXYVQQM-WMZOPIPTSA-N 1 3 358.490 2.191 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](COC)C3)CC2)CC1 ZINC000561245951 674649936 /nfs/dbraw/zinc/64/99/36/674649936.db2.gz HNDIAKVJKGMJMP-KRWDZBQOSA-N 1 3 351.535 2.068 20 0 FEADHO CSC[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000563000306 674833314 /nfs/dbraw/zinc/83/33/14/674833314.db2.gz KBMRJYWDCDSNKR-RTBURBONSA-N 1 3 364.555 2.229 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000063148440 670404557 /nfs/dbraw/zinc/40/45/57/670404557.db2.gz PVOJBJWXOVNOBG-UHFFFAOYSA-N 1 3 360.571 2.471 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=S)NCCC[NH+](C)C ZINC000065704551 670432314 /nfs/dbraw/zinc/43/23/14/670432314.db2.gz AEVKRJWUYLZCBI-UHFFFAOYSA-N 1 3 358.502 2.155 20 0 FEADHO Cn1c2ccc(CN3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)cc2sc1=O ZINC000578119962 671641815 /nfs/dbraw/zinc/64/18/15/671641815.db2.gz CHNMZBRCVPQWEE-MAUKXSAKSA-N 1 3 361.511 2.318 20 0 FEADHO Cn1c2ccc(CN3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)cc2sc1=O ZINC000578119963 671641881 /nfs/dbraw/zinc/64/18/81/671641881.db2.gz CHNMZBRCVPQWEE-QAPCUYQASA-N 1 3 361.511 2.318 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@](C)(OC)C3)CC2)CC1 ZINC000578667515 671681551 /nfs/dbraw/zinc/68/15/51/671681551.db2.gz UDLWYSWZERSKEU-FQEVSTJZSA-N 1 3 351.535 2.210 20 0 FEADHO CCN1CCN([C@H](C)CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000579128672 671714394 /nfs/dbraw/zinc/71/43/94/671714394.db2.gz LXGMIGIGEMIABN-IEBWSBKVSA-N 1 3 352.567 2.207 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(OCC3CCCCC3)CC2)C1 ZINC000584338680 672178005 /nfs/dbraw/zinc/17/80/05/672178005.db2.gz LCKJXJSRNYMMDI-GOSISDBHSA-N 1 3 351.535 2.245 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(F)cc1Br ZINC000170908803 672326964 /nfs/dbraw/zinc/32/69/64/672326964.db2.gz QWKIJMYSBPLFOB-ZDUSSCGKSA-N 1 3 357.271 2.477 20 0 FEADHO C[N@H+](CCC(=O)N1CCCN(C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000684164137 672910933 /nfs/dbraw/zinc/91/09/33/672910933.db2.gz SOLODUAJSTUENJ-LJQANCHMSA-N 1 3 351.535 2.354 20 0 FEADHO C[N@@H+](CCC(=O)N1CCCN(C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000684164137 672910936 /nfs/dbraw/zinc/91/09/36/672910936.db2.gz SOLODUAJSTUENJ-LJQANCHMSA-N 1 3 351.535 2.354 20 0 FEADHO CN(C)Cc1ccsc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614437049 676174522 /nfs/dbraw/zinc/17/45/22/676174522.db2.gz BMZAZISPTNTNHF-INIZCTEOSA-N 1 3 351.516 2.137 20 0 FEADHO C[C@@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000544386394 673709265 /nfs/dbraw/zinc/70/92/65/673709265.db2.gz VCATYZCVVCYWTI-QAPCUYQASA-N 1 3 354.516 2.245 20 0 FEADHO C[C@@H]1[C@H](C(=O)N(C[C@@H](O)CC(C)(C)C)C2CCN(C)CC2)CC[N@@H+]1C ZINC000614442985 676175096 /nfs/dbraw/zinc/17/50/96/676175096.db2.gz QHXVNWWNHFHERU-BPQIPLTHSA-N 1 3 353.551 2.047 20 0 FEADHO C[C@@H]1[C@H](C(=O)N(C[C@@H](O)CC(C)(C)C)C2CCN(C)CC2)CC[N@H+]1C ZINC000614442985 676175097 /nfs/dbraw/zinc/17/50/97/676175097.db2.gz QHXVNWWNHFHERU-BPQIPLTHSA-N 1 3 353.551 2.047 20 0 FEADHO COC(=O)CCCN1CCC([NH2+][C@H](C)CN2C[C@H](C)C[C@H](C)C2)CC1 ZINC000545205157 673751294 /nfs/dbraw/zinc/75/12/94/673751294.db2.gz IVMOSQHXNHXLIW-FGTMMUONSA-N 1 3 353.551 2.360 20 0 FEADHO CC(C)(C)OC(=O)C1CCC(O)(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000600715483 673793911 /nfs/dbraw/zinc/79/39/11/673793911.db2.gz GQEHZYWRXANDPA-ASPXRTSYSA-N 1 3 352.519 2.466 20 0 FEADHO CC(C)(C)OC(=O)C1CCC(O)(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000600715483 673793917 /nfs/dbraw/zinc/79/39/17/673793917.db2.gz GQEHZYWRXANDPA-ASPXRTSYSA-N 1 3 352.519 2.466 20 0 FEADHO CS[C@@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C[C@@H]1N(C)C ZINC000546838238 673822092 /nfs/dbraw/zinc/82/20/92/673822092.db2.gz WVXLGWFVDCZWAA-DLBZAZTESA-N 1 3 366.531 2.136 20 0 FEADHO CS[C@@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C[C@H]1N(C)C ZINC000546838239 673822164 /nfs/dbraw/zinc/82/21/64/673822164.db2.gz WVXLGWFVDCZWAA-IAGOWNOFSA-N 1 3 366.531 2.136 20 0 FEADHO COCCC[NH+]1CCC(NC[C@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000567682389 675311955 /nfs/dbraw/zinc/31/19/55/675311955.db2.gz PFKURVARCCVNOF-KRWDZBQOSA-N 1 3 370.921 2.479 20 0 FEADHO [NH3+][C@@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)C1CCC1 ZINC000567811802 675325655 /nfs/dbraw/zinc/32/56/55/675325655.db2.gz LHRAOSFUOUXQBP-GOSISDBHSA-N 1 3 365.905 2.427 20 0 FEADHO CN(CCCN(C)Cc1cc2c(cc1Cl)OCCO2)CC[NH+](C)C ZINC000568438357 675374130 /nfs/dbraw/zinc/37/41/30/675374130.db2.gz QMGGYXDOSYHPDV-UHFFFAOYSA-N 1 3 355.910 2.427 20 0 FEADHO CC[N@@H+]1CC[C@H](NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)[C@H](C)C1 ZINC000825163818 675639575 /nfs/dbraw/zinc/63/95/75/675639575.db2.gz QYOAUGSULPIYBM-IKGGRYGDSA-N 1 3 355.523 2.332 20 0 FEADHO CC[N@H+]1CC[C@H](NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)[C@H](C)C1 ZINC000825163818 675639576 /nfs/dbraw/zinc/63/95/76/675639576.db2.gz QYOAUGSULPIYBM-IKGGRYGDSA-N 1 3 355.523 2.332 20 0 FEADHO CCC[NH+]1CCC(CNC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000605426676 675814213 /nfs/dbraw/zinc/81/42/13/675814213.db2.gz IMPFDNVRAMUVDY-UHFFFAOYSA-N 1 3 351.535 2.260 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CSc1nc2ccccc2o1 ZINC000617503466 676288382 /nfs/dbraw/zinc/28/83/82/676288382.db2.gz KQTHMIJSULQQPA-AWEZNQCLSA-N 1 3 364.515 2.308 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CSc1nc2ccccc2o1 ZINC000617503466 676288384 /nfs/dbraw/zinc/28/83/84/676288384.db2.gz KQTHMIJSULQQPA-AWEZNQCLSA-N 1 3 364.515 2.308 20 0 FEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627023006 676735247 /nfs/dbraw/zinc/73/52/47/676735247.db2.gz HQIYSZKZEAIRSA-MJBXVCDLSA-N 1 3 364.456 2.276 20 0 FEADHO O[C@@H](CNCC1(c2ccccc2Cl)CCOCC1)C[NH+]1CCCC1 ZINC000629559486 676859292 /nfs/dbraw/zinc/85/92/92/676859292.db2.gz DZJBPGXCUPMGET-INIZCTEOSA-N 1 3 352.906 2.435 20 0 FEADHO C[NH2+]C1(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CCC1 ZINC000630003642 676879128 /nfs/dbraw/zinc/87/91/28/676879128.db2.gz CBWSCIQENYWGCB-INIZCTEOSA-N 1 3 351.441 2.402 20 0 FEADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC[C@H](CO)c1ccc(Cl)cc1 ZINC000634731015 677080873 /nfs/dbraw/zinc/08/08/73/677080873.db2.gz BNRNZVVBWFQBLY-QUCCMNQESA-N 1 3 362.901 2.498 20 0 FEADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNC[C@H](CO)c1ccc(Cl)cc1 ZINC000634731015 677080874 /nfs/dbraw/zinc/08/08/74/677080874.db2.gz BNRNZVVBWFQBLY-QUCCMNQESA-N 1 3 362.901 2.498 20 0 FEADHO CC[N@H+](C)Cc1cccc(CNCC2(S(=O)(=O)NC(C)(C)C)CC2)c1 ZINC000638562908 677147029 /nfs/dbraw/zinc/14/70/29/677147029.db2.gz FJQWKHGWGSBPID-UHFFFAOYSA-N 1 3 367.559 2.478 20 0 FEADHO CC[N@@H+](C)Cc1cccc(CNCC2(S(=O)(=O)NC(C)(C)C)CC2)c1 ZINC000638562908 677147030 /nfs/dbraw/zinc/14/70/30/677147030.db2.gz FJQWKHGWGSBPID-UHFFFAOYSA-N 1 3 367.559 2.478 20 0 FEADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NC/C=C/C[NH3+] ZINC000641865630 677216889 /nfs/dbraw/zinc/21/68/89/677216889.db2.gz ZLJPLKLDYDRPKV-ONEGZZNKSA-N 1 3 358.408 2.294 20 0 FEADHO CC[C@H](C)C[C@@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000655160328 677626290 /nfs/dbraw/zinc/62/62/90/677626290.db2.gz OVKLWKWMWLERHO-WMZOPIPTSA-N 1 3 353.551 2.096 20 0 FEADHO CC[C@H](C)C[C@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000655160325 677626321 /nfs/dbraw/zinc/62/63/21/677626321.db2.gz OVKLWKWMWLERHO-FUHWJXTLSA-N 1 3 353.551 2.096 20 0 FEADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000659296991 678163364 /nfs/dbraw/zinc/16/33/64/678163364.db2.gz JWWMDQZNIBTOKC-HUUCEWRRSA-N 1 3 358.360 2.255 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@H]3CCCCO3)C2)CC1 ZINC000661874369 678544332 /nfs/dbraw/zinc/54/43/32/678544332.db2.gz JHWFQGUXMATFFG-PKOBYXMFSA-N 1 3 351.535 2.257 20 0 FEADHO [NH3+]C[C@H]1CN(CCc2ccc3c(c2)OC(F)(F)O3)CC12CCOCC2 ZINC000662272317 678599257 /nfs/dbraw/zinc/59/92/57/678599257.db2.gz DTXPFPHDVNYKSL-AWEZNQCLSA-N 1 3 354.397 2.238 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000663798444 678791471 /nfs/dbraw/zinc/79/14/71/678791471.db2.gz WYICYDUZVHKLTP-KBXCAEBGSA-N 1 3 350.482 2.384 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000663798444 678791474 /nfs/dbraw/zinc/79/14/74/678791474.db2.gz WYICYDUZVHKLTP-KBXCAEBGSA-N 1 3 350.482 2.384 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000663845934 678797290 /nfs/dbraw/zinc/79/72/90/678797290.db2.gz CJCFNASYAASCJQ-WBAXXEDZSA-N 1 3 350.482 2.253 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000663845934 678797294 /nfs/dbraw/zinc/79/72/94/678797294.db2.gz CJCFNASYAASCJQ-WBAXXEDZSA-N 1 3 350.482 2.253 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nnc2ccc(Br)cn21 ZINC000664196464 678841824 /nfs/dbraw/zinc/84/18/24/678841824.db2.gz UGAKLUNTYBGPML-LBPRGKRZSA-N 1 3 369.311 2.176 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nnc2ccc(Br)cn21 ZINC000664196464 678841826 /nfs/dbraw/zinc/84/18/26/678841826.db2.gz UGAKLUNTYBGPML-LBPRGKRZSA-N 1 3 369.311 2.176 20 0 FEADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1c(C)noc1C ZINC000664534633 678891541 /nfs/dbraw/zinc/89/15/41/678891541.db2.gz JCLYCHWOQBMZKH-XJKSGUPXSA-N 1 3 353.511 2.314 20 0 FEADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1c(C)noc1C ZINC000664534633 678891543 /nfs/dbraw/zinc/89/15/43/678891543.db2.gz JCLYCHWOQBMZKH-XJKSGUPXSA-N 1 3 353.511 2.314 20 0 FEADHO COc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1OC ZINC000665154501 678943611 /nfs/dbraw/zinc/94/36/11/678943611.db2.gz JXFALQPEUWYNNK-AWEZNQCLSA-N 1 3 352.479 2.097 20 0 FEADHO COc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1OC ZINC000665154501 678943613 /nfs/dbraw/zinc/94/36/13/678943613.db2.gz JXFALQPEUWYNNK-AWEZNQCLSA-N 1 3 352.479 2.097 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CCc1ccc(F)cc1 ZINC000665638912 678974535 /nfs/dbraw/zinc/97/45/35/678974535.db2.gz GGKSOPSBGMXIDY-INIZCTEOSA-N 1 3 352.498 2.282 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CCc1ccc(F)cc1 ZINC000665638912 678974536 /nfs/dbraw/zinc/97/45/36/678974536.db2.gz GGKSOPSBGMXIDY-INIZCTEOSA-N 1 3 352.498 2.282 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nnc(-c2ccco2)s1 ZINC000665638926 678974591 /nfs/dbraw/zinc/97/45/91/678974591.db2.gz GUWIUDKOCIBQIK-LBPRGKRZSA-N 1 3 366.491 2.192 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nnc(-c2ccco2)s1 ZINC000665638926 678974592 /nfs/dbraw/zinc/97/45/92/678974592.db2.gz GUWIUDKOCIBQIK-LBPRGKRZSA-N 1 3 366.491 2.192 20 0 FEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(COC)cs1 ZINC000667811751 679127694 /nfs/dbraw/zinc/12/76/94/679127694.db2.gz VLPLKBXSHYDLOH-MRXNPFEDSA-N 1 3 353.532 2.383 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC([NH2+]CC3CC3)CC2)cc(Cl)n1 ZINC000832793873 680176937 /nfs/dbraw/zinc/17/69/37/680176937.db2.gz RFKPOBZHPIXQLW-MRXNPFEDSA-N 1 3 350.894 2.424 20 0 FEADHO Cc1cnc(CNC2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC001026496650 680345235 /nfs/dbraw/zinc/34/52/35/680345235.db2.gz MNBDLZAKXTWVFG-PRLABOORSA-N 1 3 350.532 2.309 20 0 FEADHO Cc1cnc(CNC2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC001026496650 680345240 /nfs/dbraw/zinc/34/52/40/680345240.db2.gz MNBDLZAKXTWVFG-PRLABOORSA-N 1 3 350.532 2.309 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ccc(F)cc2F)CC[N@@H+]1C ZINC001034939723 680440631 /nfs/dbraw/zinc/44/06/31/680440631.db2.gz LXEDBQRAOBCPTC-KBRIMQKVSA-N 1 3 351.441 2.386 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ccc(F)cc2F)CC[N@H+]1C ZINC001034939723 680440632 /nfs/dbraw/zinc/44/06/32/680440632.db2.gz LXEDBQRAOBCPTC-KBRIMQKVSA-N 1 3 351.441 2.386 20 0 FEADHO Cc1ncc(CN2CC[C@]3(CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)s1 ZINC001041298038 680503456 /nfs/dbraw/zinc/50/34/56/680503456.db2.gz UODQBQJWPLBJKL-BJZITVGISA-N 1 3 362.543 2.216 20 0 FEADHO Cc1ncc(CN2CC[C@]3(CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)s1 ZINC001041298038 680503459 /nfs/dbraw/zinc/50/34/59/680503459.db2.gz UODQBQJWPLBJKL-BJZITVGISA-N 1 3 362.543 2.216 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc(Cl)n1 ZINC000841854781 680914879 /nfs/dbraw/zinc/91/48/79/680914879.db2.gz APZBGAYHFSXRPR-BMFZPTHFSA-N 1 3 350.894 2.424 20 0 FEADHO COCC[N@H+](C)C[C@H](O)CN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000846851029 681298429 /nfs/dbraw/zinc/29/84/29/681298429.db2.gz AKTSVSYWPDKQAC-WBVHZDCISA-N 1 3 360.420 2.434 20 0 FEADHO COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000846851029 681298433 /nfs/dbraw/zinc/29/84/33/681298433.db2.gz AKTSVSYWPDKQAC-WBVHZDCISA-N 1 3 360.420 2.434 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@](C)(C1CC1)C(F)(F)F ZINC000933567411 681435178 /nfs/dbraw/zinc/43/51/78/681435178.db2.gz OUWHSRULOASHOS-WFASDCNBSA-N 1 3 352.445 2.289 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@](C)(C1CC1)C(F)(F)F ZINC000933567411 681435181 /nfs/dbraw/zinc/43/51/81/681435181.db2.gz OUWHSRULOASHOS-WFASDCNBSA-N 1 3 352.445 2.289 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000849106488 681654349 /nfs/dbraw/zinc/65/43/49/681654349.db2.gz RRFVYDSHCPMDQY-GUTXKFCHSA-N 1 3 350.429 2.068 20 0 FEADHO CCO[C@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)C[NH+](C)C ZINC000913891011 685487822 /nfs/dbraw/zinc/48/78/22/685487822.db2.gz HFRATBANAHSHET-HZPDHXFCSA-N 1 3 368.547 2.151 20 0 FEADHO Cc1cnc(CNC2CC3(C2)CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)s1 ZINC000963829769 682148131 /nfs/dbraw/zinc/14/81/31/682148131.db2.gz FDYBTIBZFBDNAA-ITFIPKOWSA-N 1 3 362.543 2.309 20 0 FEADHO Cc1cnc(CNC2CC3(C2)CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)s1 ZINC000963829769 682148136 /nfs/dbraw/zinc/14/81/36/682148136.db2.gz FDYBTIBZFBDNAA-ITFIPKOWSA-N 1 3 362.543 2.309 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC000854211784 682524588 /nfs/dbraw/zinc/52/45/88/682524588.db2.gz OLHQFTQBFVEIRA-IMJJTQAJSA-N 1 3 350.910 2.262 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC000854211784 682524587 /nfs/dbraw/zinc/52/45/87/682524587.db2.gz OLHQFTQBFVEIRA-IMJJTQAJSA-N 1 3 350.910 2.262 20 0 FEADHO CN1CCN(CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000799727189 683488701 /nfs/dbraw/zinc/48/87/01/683488701.db2.gz YYPCTERAKHUNKB-MRXNPFEDSA-N 1 3 354.539 2.002 20 0 FEADHO CN1CC[C@H](CNC(=O)NC[C@H]2CC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000921702527 683549621 /nfs/dbraw/zinc/54/96/21/683549621.db2.gz KJXUNIDRVHICRD-CPUCHLNUSA-N 1 3 368.884 2.475 20 0 FEADHO CN1CC[C@H](CNC(=O)NC[C@H]2CC[N@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000921702527 683549626 /nfs/dbraw/zinc/54/96/26/683549626.db2.gz KJXUNIDRVHICRD-CPUCHLNUSA-N 1 3 368.884 2.475 20 0 FEADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=S)NC1CCN(C)CC1 ZINC000865243918 683955345 /nfs/dbraw/zinc/95/53/45/683955345.db2.gz WCVBPIQJLFXRGD-FUHWJXTLSA-N 1 3 360.571 2.313 20 0 FEADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=S)NC1CCN(C)CC1 ZINC000865243918 683955346 /nfs/dbraw/zinc/95/53/46/683955346.db2.gz WCVBPIQJLFXRGD-FUHWJXTLSA-N 1 3 360.571 2.313 20 0 FEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000925639141 684575814 /nfs/dbraw/zinc/57/58/14/684575814.db2.gz KAWBBJCUPNPSMP-JKSUJKDBSA-N 1 3 351.516 2.222 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](OC)CC[C@@H]3C)CC2)CC1 ZINC000870723577 684748877 /nfs/dbraw/zinc/74/88/77/684748877.db2.gz FTOHXMNIDQEKKG-LPHOPBHVSA-N 1 3 351.535 2.209 20 0 FEADHO Cc1csc([C@H]2CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2)n1 ZINC000875713801 686069271 /nfs/dbraw/zinc/06/92/71/686069271.db2.gz PNWUPZLVPPRFIA-HOCLYGCPSA-N 1 3 367.563 2.222 20 0 FEADHO Cc1csc([C@H]2CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2)n1 ZINC000875713801 686069279 /nfs/dbraw/zinc/06/92/79/686069279.db2.gz PNWUPZLVPPRFIA-HOCLYGCPSA-N 1 3 367.563 2.222 20 0 FEADHO C[N@@H+]1CCC[C@@H](CCNCc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894983745 689634562 /nfs/dbraw/zinc/63/45/62/689634562.db2.gz DLIDMIUGLMHTFQ-ZDUSSCGKSA-N 1 3 358.939 2.455 20 0 FEADHO C[N@H+]1CCC[C@@H](CCNCc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894983745 689634565 /nfs/dbraw/zinc/63/45/65/689634565.db2.gz DLIDMIUGLMHTFQ-ZDUSSCGKSA-N 1 3 358.939 2.455 20 0 FEADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000897555099 690038674 /nfs/dbraw/zinc/03/86/74/690038674.db2.gz NHFXNMIENGLWMO-MAUKXSAKSA-N 1 3 350.482 2.460 20 0 FEADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000897555099 690038677 /nfs/dbraw/zinc/03/86/77/690038677.db2.gz NHFXNMIENGLWMO-MAUKXSAKSA-N 1 3 350.482 2.460 20 0 FEADHO O=S(=O)(CCN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1 ZINC000903749878 690969781 /nfs/dbraw/zinc/96/97/81/690969781.db2.gz RDESIGVVOJKLHF-SJORKVTESA-N 1 3 351.516 2.140 20 0 FEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1nc2c(s1)CNCC2 ZINC000904474500 691030372 /nfs/dbraw/zinc/03/03/72/691030372.db2.gz UVRGNYDRXLVTKT-DNVCBOLYSA-N 1 3 356.495 2.134 20 0 FEADHO CC(C)(C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1CCCCC1 ZINC000907047728 691379829 /nfs/dbraw/zinc/37/98/29/691379829.db2.gz RLEGMGHGKVNKOE-ZWKOTPCHSA-N 1 3 351.535 2.135 20 0 FEADHO C[C@H](OCc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797548 540414619 /nfs/dbraw/zinc/41/46/19/540414619.db2.gz ZTAWDRJTHSYOAZ-KRWDZBQOSA-N 1 3 359.514 2.267 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Cn3ccc4ccccc43)CC2)CC1 ZINC000050797157 540414847 /nfs/dbraw/zinc/41/48/47/540414847.db2.gz LBYIMWZPQDACBT-UHFFFAOYSA-N 1 3 354.498 2.316 20 0 FEADHO COc1cccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000051236015 540427656 /nfs/dbraw/zinc/42/76/56/540427656.db2.gz ALALPTYJQSTEMU-UHFFFAOYSA-N 1 3 360.502 2.053 20 0 FEADHO Cc1ccccc1CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051236017 540427882 /nfs/dbraw/zinc/42/78/82/540427882.db2.gz TZFVGGYUHTZNOY-UHFFFAOYSA-N 1 3 358.530 2.395 20 0 FEADHO COCCN(C)CCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000061041734 541125443 /nfs/dbraw/zinc/12/54/43/541125443.db2.gz NRNQKWLDHJGVAM-UHFFFAOYSA-N 1 3 368.566 2.443 20 0 FEADHO c1ccc(N2CCN(Cc3ccccc3CNC3=[NH+]CCCN3)CC2)cc1 ZINC000066243024 541294713 /nfs/dbraw/zinc/29/47/13/541294713.db2.gz CQJSGIIPJAXIDL-UHFFFAOYSA-N 1 3 363.509 2.448 20 0 FEADHO CN1CCN(CCCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000068080346 541545398 /nfs/dbraw/zinc/54/53/98/541545398.db2.gz MXYHYTXCIQUCQC-NRFANRHFSA-N 1 3 372.557 2.042 20 0 FEADHO CN1CCN(CCCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000068080346 541545400 /nfs/dbraw/zinc/54/54/00/541545400.db2.gz MXYHYTXCIQUCQC-NRFANRHFSA-N 1 3 372.557 2.042 20 0 FEADHO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+]CCCN2CCCC2)CC1 ZINC000818158778 675199490 /nfs/dbraw/zinc/19/94/90/675199490.db2.gz CCTDKVWPWCVUOT-QGZVFWFLSA-N 1 3 355.523 2.070 20 0 FEADHO CC(C)(C)OC(=O)N1CCC([C@H](O)CNCCC[NH+]2CCCC2)CC1 ZINC000818158778 675199495 /nfs/dbraw/zinc/19/94/95/675199495.db2.gz CCTDKVWPWCVUOT-QGZVFWFLSA-N 1 3 355.523 2.070 20 0 FEADHO CC(C)[NH+]1CCC(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000072956799 541896916 /nfs/dbraw/zinc/89/69/16/541896916.db2.gz XORLRUBLCLLMKT-UHFFFAOYSA-N 1 3 372.557 2.171 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000073793656 542000038 /nfs/dbraw/zinc/00/00/38/542000038.db2.gz DJUUUZFPPKESMA-SEBOWIOWSA-N 1 3 358.530 2.474 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000073793656 542000041 /nfs/dbraw/zinc/00/00/41/542000041.db2.gz DJUUUZFPPKESMA-SEBOWIOWSA-N 1 3 358.530 2.474 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000077553091 542396690 /nfs/dbraw/zinc/39/66/90/542396690.db2.gz OYDUEIKNVKPVHF-MSOLQXFVSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000077553091 542396694 /nfs/dbraw/zinc/39/66/94/542396694.db2.gz OYDUEIKNVKPVHF-MSOLQXFVSA-N 1 3 366.550 2.003 20 0 FEADHO CCCN1CCCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000077551258 542396859 /nfs/dbraw/zinc/39/68/59/542396859.db2.gz KRPAYSUXGCAQAP-UHFFFAOYSA-N 1 3 362.518 2.254 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000077771658 542418865 /nfs/dbraw/zinc/41/88/65/542418865.db2.gz ROZHLLIFBWMIIW-SFHVURJKSA-N 1 3 360.502 2.007 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000077771658 542418869 /nfs/dbraw/zinc/41/88/69/542418869.db2.gz ROZHLLIFBWMIIW-SFHVURJKSA-N 1 3 360.502 2.007 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000077776146 542419658 /nfs/dbraw/zinc/41/96/58/542419658.db2.gz MEUQIMYOKGJVQM-INIZCTEOSA-N 1 3 368.522 2.497 20 0 FEADHO CC1CCN(CCNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000093120912 542908526 /nfs/dbraw/zinc/90/85/26/542908526.db2.gz ZPZANKAQJDTOCN-UHFFFAOYSA-N 1 3 359.518 2.329 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CN1C1CC1 ZINC000093135956 542910706 /nfs/dbraw/zinc/91/07/06/542910706.db2.gz JYASSTDJEJTOGB-RDJZCZTQSA-N 1 3 357.502 2.222 20 0 FEADHO CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093360959 542929671 /nfs/dbraw/zinc/92/96/71/542929671.db2.gz JKLBWXYJPJZIGU-SFHVURJKSA-N 1 3 358.530 2.175 20 0 FEADHO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093360959 542929673 /nfs/dbraw/zinc/92/96/73/542929673.db2.gz JKLBWXYJPJZIGU-SFHVURJKSA-N 1 3 358.530 2.175 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NCC2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000103295237 543101497 /nfs/dbraw/zinc/10/14/97/543101497.db2.gz FFUOMHPWQWNHGU-HXUWFJFHSA-N 1 3 374.529 2.473 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000104787422 543143924 /nfs/dbraw/zinc/14/39/24/543143924.db2.gz IUZDXOHVFWHMQR-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000104787422 543143927 /nfs/dbraw/zinc/14/39/27/543143927.db2.gz IUZDXOHVFWHMQR-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO C[N@@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000108556982 543293693 /nfs/dbraw/zinc/29/36/93/543293693.db2.gz VMJPDGYYYMEIPC-KRWDZBQOSA-N 1 3 358.530 2.464 20 0 FEADHO C[N@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000108556982 543293694 /nfs/dbraw/zinc/29/36/94/543293694.db2.gz VMJPDGYYYMEIPC-KRWDZBQOSA-N 1 3 358.530 2.464 20 0 FEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000111485308 543403505 /nfs/dbraw/zinc/40/35/05/543403505.db2.gz NUTVFHDBPCOKQD-HXUWFJFHSA-N 1 3 373.545 2.262 20 0 FEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000111485308 543403507 /nfs/dbraw/zinc/40/35/07/543403507.db2.gz NUTVFHDBPCOKQD-HXUWFJFHSA-N 1 3 373.545 2.262 20 0 FEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCN1CCOC ZINC000111862790 543421407 /nfs/dbraw/zinc/42/14/07/543421407.db2.gz BXRARUXYDLOQNJ-MSOLQXFVSA-N 1 3 354.539 2.051 20 0 FEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCN1CCOC ZINC000111862790 543421408 /nfs/dbraw/zinc/42/14/08/543421408.db2.gz BXRARUXYDLOQNJ-MSOLQXFVSA-N 1 3 354.539 2.051 20 0 FEADHO COC(=O)Nc1ccccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000112886924 543466101 /nfs/dbraw/zinc/46/61/01/543466101.db2.gz OKUKUCXKIFCGNY-UHFFFAOYSA-N 1 3 374.485 2.153 20 0 FEADHO CC(C)N(C)CCNC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000118122980 543646784 /nfs/dbraw/zinc/64/67/84/543646784.db2.gz PXYQGNXNKVOZPX-UHFFFAOYSA-N 1 3 374.529 2.313 20 0 FEADHO CSc1cc(C)ccc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000129287906 544102950 /nfs/dbraw/zinc/10/29/50/544102950.db2.gz MAEAIGLKQCVSBP-UHFFFAOYSA-N 1 3 352.548 2.352 20 0 FEADHO Cc1cccc(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000129809704 544128031 /nfs/dbraw/zinc/12/80/31/544128031.db2.gz JOKYJVUWKJIOGZ-UHFFFAOYSA-N 1 3 358.530 2.395 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)CCSc3ccccn3)CC2)CC1 ZINC000130548029 544155631 /nfs/dbraw/zinc/15/56/31/544155631.db2.gz VGZHSIUBLNDJRR-UHFFFAOYSA-N 1 3 362.543 2.239 20 0 FEADHO CC(=O)c1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000133548279 544274666 /nfs/dbraw/zinc/27/46/66/544274666.db2.gz GCFAXLBEMWDXGD-UHFFFAOYSA-N 1 3 354.882 2.500 20 0 FEADHO C[C@@H](Sc1ccccn1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000152218091 544627082 /nfs/dbraw/zinc/62/70/82/544627082.db2.gz HLUMGDTURYOKSJ-OAHLLOKOSA-N 1 3 362.543 2.237 20 0 FEADHO COCCN(CCN(C)C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000152774272 544694099 /nfs/dbraw/zinc/69/40/99/544694099.db2.gz RLSYKWCPEFCFKU-UHFFFAOYSA-N 1 3 368.566 2.249 20 0 FEADHO CCN1CC[C@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)[C@H](C)C1 ZINC000154219650 544877152 /nfs/dbraw/zinc/87/71/52/544877152.db2.gz IDAANQNLSDMWMW-UXPWSPDFSA-N 1 3 359.514 2.415 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000154404921 544902222 /nfs/dbraw/zinc/90/22/22/544902222.db2.gz LEYZCDMRAHROHZ-SFHVURJKSA-N 1 3 360.502 2.020 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000154404921 544902226 /nfs/dbraw/zinc/90/22/26/544902226.db2.gz LEYZCDMRAHROHZ-SFHVURJKSA-N 1 3 360.502 2.020 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000154509333 544914246 /nfs/dbraw/zinc/91/42/46/544914246.db2.gz AXKQVTDJTSUHJJ-OSPHWJPCSA-N 1 3 351.560 2.492 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000154949819 544969149 /nfs/dbraw/zinc/96/91/49/544969149.db2.gz XHOOVRFFYMKKBX-KRWDZBQOSA-N 1 3 362.518 2.406 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000154949819 544969152 /nfs/dbraw/zinc/96/91/52/544969152.db2.gz XHOOVRFFYMKKBX-KRWDZBQOSA-N 1 3 362.518 2.406 20 0 FEADHO CC[NH+](CC)CCOc1cc(NC(=O)NCCN(C)C)ccc1OC ZINC000181580203 327737097 /nfs/dbraw/zinc/73/70/97/327737097.db2.gz FQGMGGPDLMOPPK-UHFFFAOYSA-N 1 3 352.479 2.099 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000189500541 328151912 /nfs/dbraw/zinc/15/19/12/328151912.db2.gz SEBUPGHSKVTLRK-UHFFFAOYSA-N 1 3 360.502 2.020 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000190481207 328210292 /nfs/dbraw/zinc/21/02/92/328210292.db2.gz OTMUTBMABDVYGP-VQTJNVASSA-N 1 3 374.529 2.061 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000190481207 328210294 /nfs/dbraw/zinc/21/02/94/328210294.db2.gz OTMUTBMABDVYGP-VQTJNVASSA-N 1 3 374.529 2.061 20 0 FEADHO C[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCS1 ZINC000192244515 328308906 /nfs/dbraw/zinc/30/89/06/328308906.db2.gz PPNXXVUVGIIWMG-HNNXBMFYSA-N 1 3 354.564 2.082 20 0 FEADHO CCC[C@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000236842056 328496083 /nfs/dbraw/zinc/49/60/83/328496083.db2.gz ICTDHFFBIORFJS-KRWDZBQOSA-N 1 3 353.894 2.427 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCCN2CCOCC2)CC1 ZINC000088668694 325299266 /nfs/dbraw/zinc/29/92/66/325299266.db2.gz FZSZSUGCOODRTJ-UHFFFAOYSA-N 1 3 360.546 2.031 20 0 FEADHO CC[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000090028773 325352147 /nfs/dbraw/zinc/35/21/47/325352147.db2.gz SPBRPWLTZVEWRO-HXUWFJFHSA-N 1 3 369.513 2.487 20 0 FEADHO O=C(NCCCC[NH+]1CCCC1)NCC1CCN(c2ccncc2)CC1 ZINC000093121037 325434320 /nfs/dbraw/zinc/43/43/20/325434320.db2.gz BJXAHYZQUZIEDB-UHFFFAOYSA-N 1 3 359.518 2.473 20 0 FEADHO CC[C@H](CO)N1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000093740128 325446916 /nfs/dbraw/zinc/44/69/16/325446916.db2.gz UPHKQRIZGZHJPR-HXUWFJFHSA-N 1 3 374.573 2.106 20 0 FEADHO O=C(C[C@@H]1CSCC[NH2+]1)NCC1CCN(Cc2cccs2)CC1 ZINC000238051538 328539544 /nfs/dbraw/zinc/53/95/44/328539544.db2.gz QHMWYVWWPBYZFJ-OAHLLOKOSA-N 1 3 353.557 2.171 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000120808812 326289970 /nfs/dbraw/zinc/28/99/70/326289970.db2.gz CUBLUYPUYABFNS-KRWDZBQOSA-N 1 3 362.518 2.158 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000120808812 326289972 /nfs/dbraw/zinc/28/99/72/326289972.db2.gz CUBLUYPUYABFNS-KRWDZBQOSA-N 1 3 362.518 2.158 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CN1C1CC1 ZINC000120870440 326294621 /nfs/dbraw/zinc/29/46/21/326294621.db2.gz MOQSLBBXPVFHKA-WBVHZDCISA-N 1 3 360.502 2.051 20 0 FEADHO COc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1OC ZINC000123867295 326443663 /nfs/dbraw/zinc/44/36/63/326443663.db2.gz YEJXQAUAQKUURT-UHFFFAOYSA-N 1 3 371.481 2.285 20 0 FEADHO COc1cc([C@@H](C)NCCC2CC[NH+](C)CC2)ccc1S(C)(=O)=O ZINC000125372522 326470494 /nfs/dbraw/zinc/47/04/94/326470494.db2.gz ASAZVVVYMUHFBX-CQSZACIVSA-N 1 3 354.516 2.481 20 0 FEADHO Cc1ccc([C@H](CNC(=O)c2ccnc(OCC[NH+](C)C)c2)N(C)C)cc1 ZINC000136687773 326654451 /nfs/dbraw/zinc/65/44/51/326654451.db2.gz YRDJJVCGTBOTKR-IBGZPJMESA-N 1 3 370.497 2.363 20 0 FEADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000150948325 326671589 /nfs/dbraw/zinc/67/15/89/326671589.db2.gz NOTTXLPAIDLEST-MRXNPFEDSA-N 1 3 360.502 2.320 20 0 FEADHO CSC[C@@H](CCO)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150977943 326672289 /nfs/dbraw/zinc/67/22/89/326672289.db2.gz FJEMMZPRFNDSJX-QGZVFWFLSA-N 1 3 351.560 2.421 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000157841867 326877177 /nfs/dbraw/zinc/87/71/77/326877177.db2.gz VODLPCYGOJQQRO-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC2)c1 ZINC000162052493 327015823 /nfs/dbraw/zinc/01/58/23/327015823.db2.gz JCWYBMNUOCVZCA-FQEVSTJZSA-N 1 3 360.546 2.339 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H](C)[C@H]2CCOC2)CC1 ZINC000163066295 327042009 /nfs/dbraw/zinc/04/20/09/327042009.db2.gz IANWFGZGUOXBTH-MJGOQNOKSA-N 1 3 359.514 2.090 20 0 FEADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000164603579 327072373 /nfs/dbraw/zinc/07/23/73/327072373.db2.gz GHVPXCFRLZGTGI-PXNSSMCTSA-N 1 3 359.514 2.303 20 0 FEADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000164603579 327072375 /nfs/dbraw/zinc/07/23/75/327072375.db2.gz GHVPXCFRLZGTGI-PXNSSMCTSA-N 1 3 359.514 2.303 20 0 FEADHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000169225626 327088048 /nfs/dbraw/zinc/08/80/48/327088048.db2.gz VCIHAWFLYDIKED-GOSISDBHSA-N 1 3 369.868 2.001 20 0 FEADHO C[NH+](C)[C@H]1CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000171611943 327148146 /nfs/dbraw/zinc/14/81/46/327148146.db2.gz QGANVQSCGLPJNJ-FQEVSTJZSA-N 1 3 358.530 2.429 20 0 FEADHO C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)N1CCCCCC1 ZINC000172753691 327216907 /nfs/dbraw/zinc/21/69/07/327216907.db2.gz GDLSZZAWVRDGJS-LJQANCHMSA-N 1 3 364.578 2.317 20 0 FEADHO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000173852861 327289185 /nfs/dbraw/zinc/28/91/85/327289185.db2.gz MPIRAJKAPSRLMN-HXUWFJFHSA-N 1 3 354.498 2.091 20 0 FEADHO O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000173852861 327289186 /nfs/dbraw/zinc/28/91/86/327289186.db2.gz MPIRAJKAPSRLMN-HXUWFJFHSA-N 1 3 354.498 2.091 20 0 FEADHO CCO[C@@H](CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000174218381 327313539 /nfs/dbraw/zinc/31/35/39/327313539.db2.gz VWBYISVCSBIAKN-IBGZPJMESA-N 1 3 368.566 2.295 20 0 FEADHO C[C@@H](CNC(=O)[C@H]1CCCCN1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000174830953 327353869 /nfs/dbraw/zinc/35/38/69/327353869.db2.gz UCWSCHJVWZVCFA-PZJWPPBQSA-N 1 3 372.557 2.041 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000176249386 327443774 /nfs/dbraw/zinc/44/37/74/327443774.db2.gz GDGOASWOVZQOHL-GOSISDBHSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C[C@@H](C)O1 ZINC000177492215 327526301 /nfs/dbraw/zinc/52/63/01/327526301.db2.gz YJSYJTOWRLCFIH-IAGOWNOFSA-N 1 3 359.514 2.497 20 0 FEADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000178040294 327560795 /nfs/dbraw/zinc/56/07/95/327560795.db2.gz APUISHPEQMKSCK-ZACQAIPSSA-N 1 3 358.490 2.202 20 0 FEADHO CN(C)CCn1c2cc(NC(=O)[C@H]3CCCC[C@]3(C)[NH3+])ccc2oc1=O ZINC000263003894 328907642 /nfs/dbraw/zinc/90/76/42/328907642.db2.gz OYUPDXVRLLDVJR-KUHUBIRLSA-N 1 3 360.458 2.002 20 0 FEADHO C[C@H](CC[NH+](C)C)NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000263895380 328972963 /nfs/dbraw/zinc/97/29/63/328972963.db2.gz VIBLXOLLBLUZHD-QGZVFWFLSA-N 1 3 361.534 2.070 20 0 FEADHO C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCOCC1 ZINC000265112847 329092354 /nfs/dbraw/zinc/09/23/54/329092354.db2.gz SIIDVSARHAFGBG-LJQANCHMSA-N 1 3 374.529 2.061 20 0 FEADHO COCCN1CC[C@H](NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000265507788 329134287 /nfs/dbraw/zinc/13/42/87/329134287.db2.gz FKBWPTDJAQRUMT-IBGZPJMESA-N 1 3 362.518 2.047 20 0 FEADHO COCCN1CC[C@H](NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000265507788 329134289 /nfs/dbraw/zinc/13/42/89/329134289.db2.gz FKBWPTDJAQRUMT-IBGZPJMESA-N 1 3 362.518 2.047 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](CCOC)C1)c1ccsc1 ZINC000265614796 329143313 /nfs/dbraw/zinc/14/33/13/329143313.db2.gz ORBHBVSUAZGPGL-IAGOWNOFSA-N 1 3 368.547 2.151 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CCOC)C1)c1ccsc1 ZINC000265614796 329143314 /nfs/dbraw/zinc/14/33/14/329143314.db2.gz ORBHBVSUAZGPGL-IAGOWNOFSA-N 1 3 368.547 2.151 20 0 FEADHO CCN(CC)CC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000267897291 329366493 /nfs/dbraw/zinc/36/64/93/329366493.db2.gz WRQVIFKCQNVRFK-UHFFFAOYSA-N 1 3 351.466 2.127 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CN1C1CC1 ZINC000267940141 329370287 /nfs/dbraw/zinc/37/02/87/329370287.db2.gz PXJLSRYBXMYKPL-SJLPKXTDSA-N 1 3 374.529 2.094 20 0 FEADHO CC[C@H](C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1)N(C)C ZINC000268811871 329458085 /nfs/dbraw/zinc/45/80/85/329458085.db2.gz HNITWNDLCVNOFD-GOSISDBHSA-N 1 3 351.466 2.125 20 0 FEADHO C[NH+](C)CCOc1ccc(CCNC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000269502650 329526354 /nfs/dbraw/zinc/52/63/54/329526354.db2.gz MFIIDNCFUMDTFU-FQEVSTJZSA-N 1 3 355.482 2.376 20 0 FEADHO C[NH+](C)CCOc1ccccc1CN[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000294194524 330191710 /nfs/dbraw/zinc/19/17/10/330191710.db2.gz KLNBXVVPDAEOKV-IRXDYDNUSA-N 1 3 354.516 2.072 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000479526672 561191221 /nfs/dbraw/zinc/19/12/21/561191221.db2.gz KEINCWBODZQDPX-IBGZPJMESA-N 1 3 351.922 2.307 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000176277955 546426467 /nfs/dbraw/zinc/42/64/67/546426467.db2.gz CBFIPPIGGLWHHE-SFHVURJKSA-N 1 3 368.566 2.295 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000176331745 546432744 /nfs/dbraw/zinc/43/27/44/546432744.db2.gz VMVKTSQJWWQMTL-GOSISDBHSA-N 1 3 368.566 2.295 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000176331745 546432745 /nfs/dbraw/zinc/43/27/45/546432745.db2.gz VMVKTSQJWWQMTL-GOSISDBHSA-N 1 3 368.566 2.295 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000176411565 546442311 /nfs/dbraw/zinc/44/23/11/546442311.db2.gz BSDUNIQFHBIWLR-HNNXBMFYSA-N 1 3 350.532 2.306 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000176411565 546442316 /nfs/dbraw/zinc/44/23/16/546442316.db2.gz BSDUNIQFHBIWLR-HNNXBMFYSA-N 1 3 350.532 2.306 20 0 FEADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000480671938 561214165 /nfs/dbraw/zinc/21/41/65/561214165.db2.gz CLGQWKTXTOAPGT-RXVVDRJESA-N 1 3 370.541 2.067 20 0 FEADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000480671938 561214166 /nfs/dbraw/zinc/21/41/66/561214166.db2.gz CLGQWKTXTOAPGT-RXVVDRJESA-N 1 3 370.541 2.067 20 0 FEADHO C[C@H](C(=O)NC1CCC(C)CC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177376145 546603789 /nfs/dbraw/zinc/60/37/89/546603789.db2.gz FDPNXEBGVJKIOP-LXPRWKDFSA-N 1 3 352.567 2.028 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481050933 561223991 /nfs/dbraw/zinc/22/39/91/561223991.db2.gz BETRWNWJAYYTJA-WMZOPIPTSA-N 1 3 356.580 2.378 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481050933 561223992 /nfs/dbraw/zinc/22/39/92/561223992.db2.gz BETRWNWJAYYTJA-WMZOPIPTSA-N 1 3 356.580 2.378 20 0 FEADHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@]2(N(C)C)CCSC2)([NH+](C)C)C1 ZINC000481285897 561229670 /nfs/dbraw/zinc/22/96/70/561229670.db2.gz BMQLEISMEKQACC-KBAYOESNSA-N 1 3 356.580 2.233 20 0 FEADHO CN(C)[C@@]1(CNC(=O)NCCCCC[NH+]2CCCCC2)CCSC1 ZINC000481708317 561239336 /nfs/dbraw/zinc/23/93/36/561239336.db2.gz TUYARTOEBTUTCP-GOSISDBHSA-N 1 3 356.580 2.379 20 0 FEADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC000482148196 561249062 /nfs/dbraw/zinc/24/90/62/561249062.db2.gz GOKOMQOAPURKRG-HZPDHXFCSA-N 1 3 352.523 2.197 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000482555372 561255912 /nfs/dbraw/zinc/25/59/12/561255912.db2.gz YJHPUDZUUFZDKA-GIVPXCGWSA-N 1 3 372.557 2.074 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000482550036 561255955 /nfs/dbraw/zinc/25/59/55/561255955.db2.gz FMQCFRHUTDWDAW-GDBMZVCRSA-N 1 3 372.513 2.154 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@@H]2CCCN2C2CCCC2)C[C@@H]1[NH+]1CCCC1 ZINC000483416250 561276521 /nfs/dbraw/zinc/27/65/21/561276521.db2.gz XEEGOUWKVYNNFL-OKZBNKHCSA-N 1 3 351.560 2.432 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)C(F)(F)F ZINC000483666487 561281517 /nfs/dbraw/zinc/28/15/17/561281517.db2.gz YIRFFVSRBHQUOT-KGLIPLIRSA-N 1 3 352.445 2.242 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)C(F)(F)F ZINC000483666487 561281518 /nfs/dbraw/zinc/28/15/18/561281518.db2.gz YIRFFVSRBHQUOT-KGLIPLIRSA-N 1 3 352.445 2.242 20 0 FEADHO CC[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCO1 ZINC000182240717 547458831 /nfs/dbraw/zinc/45/88/31/547458831.db2.gz XTTKYCGFXYUBAB-UXHICEINSA-N 1 3 359.514 2.446 20 0 FEADHO C[C@@H](NC(=O)Nc1ccn(CCN(C)C)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183497112 547671553 /nfs/dbraw/zinc/67/15/53/547671553.db2.gz AJDYQHBRRPQGKQ-HZPDHXFCSA-N 1 3 362.522 2.219 20 0 FEADHO C[C@@H](NC(=O)Nc1ccn(CCN(C)C)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183497112 547671556 /nfs/dbraw/zinc/67/15/56/547671556.db2.gz AJDYQHBRRPQGKQ-HZPDHXFCSA-N 1 3 362.522 2.219 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCc1cccnc1 ZINC000184750065 547874624 /nfs/dbraw/zinc/87/46/24/547874624.db2.gz PDQXBEJCJNUCLK-ROUUACIJSA-N 1 3 366.509 2.444 20 0 FEADHO CN1CCC[C@H](CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)[C@H]1c1cccs1 ZINC000485795706 561328170 /nfs/dbraw/zinc/32/81/70/561328170.db2.gz XXIDGSDFHFWQLP-LBTNJELSSA-N 1 3 373.526 2.361 20 0 FEADHO CCCN1CCC([NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)CC1 ZINC000186711268 548178422 /nfs/dbraw/zinc/17/84/22/548178422.db2.gz STIVUYIKTGXQJV-UHFFFAOYSA-N 1 3 369.506 2.330 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1c[nH]c(=O)c2ccccc12 ZINC000190784135 548334091 /nfs/dbraw/zinc/33/40/91/548334091.db2.gz FIOCNHLOVZECCM-MRXNPFEDSA-N 1 3 370.497 2.016 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1c[nH]c(=O)c2ccccc12 ZINC000190784135 548334096 /nfs/dbraw/zinc/33/40/96/548334096.db2.gz FIOCNHLOVZECCM-MRXNPFEDSA-N 1 3 370.497 2.016 20 0 FEADHO C[NH+](C)CCOc1ccccc1CNC(=O)N1CCCN(C2CC2)CC1 ZINC000194677669 548514587 /nfs/dbraw/zinc/51/45/87/548514587.db2.gz YVPVGQBAABOILP-UHFFFAOYSA-N 1 3 360.502 2.007 20 0 FEADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000486663255 561353721 /nfs/dbraw/zinc/35/37/21/561353721.db2.gz HRFJDRDEKZSGDF-MJGOQNOKSA-N 1 3 372.513 2.197 20 0 FEADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000486663255 561353722 /nfs/dbraw/zinc/35/37/22/561353722.db2.gz HRFJDRDEKZSGDF-MJGOQNOKSA-N 1 3 372.513 2.197 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@](C)(C[NH3+])CC(C)C)CC2)c1 ZINC000236676311 548772076 /nfs/dbraw/zinc/77/20/76/548772076.db2.gz HUCDGDUNYJGYDX-OAQYLSRUSA-N 1 3 360.546 2.387 20 0 FEADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NC3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000487530285 561371388 /nfs/dbraw/zinc/37/13/88/561371388.db2.gz AYWDRMLRWBNFGO-OAQYLSRUSA-N 1 3 356.514 2.388 20 0 FEADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NC3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000487530285 561371389 /nfs/dbraw/zinc/37/13/89/561371389.db2.gz AYWDRMLRWBNFGO-OAQYLSRUSA-N 1 3 356.514 2.388 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000245659506 548968868 /nfs/dbraw/zinc/96/88/68/548968868.db2.gz CYNCLPORDGZCLB-JENIJYKNSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000245659506 548968872 /nfs/dbraw/zinc/96/88/72/548968872.db2.gz CYNCLPORDGZCLB-JENIJYKNSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccco1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245878771 549009229 /nfs/dbraw/zinc/00/92/29/549009229.db2.gz SIXFVSMEWSDKCZ-IAGOWNOFSA-N 1 3 350.507 2.473 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccco1)[N@H+]1CCC[C@@H](C)C1 ZINC000245878771 549009234 /nfs/dbraw/zinc/00/92/34/549009234.db2.gz SIXFVSMEWSDKCZ-IAGOWNOFSA-N 1 3 350.507 2.473 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000245963071 549029533 /nfs/dbraw/zinc/02/95/33/549029533.db2.gz MVKIUXHDTWAFFX-UFYCRDLUSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000245963071 549029535 /nfs/dbraw/zinc/02/95/35/549029535.db2.gz MVKIUXHDTWAFFX-UFYCRDLUSA-N 1 3 358.530 2.285 20 0 FEADHO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000246852345 549228129 /nfs/dbraw/zinc/22/81/29/549228129.db2.gz BKYYGMBUWJNZSK-HZPDHXFCSA-N 1 3 353.532 2.366 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000248384789 549424846 /nfs/dbraw/zinc/42/48/46/549424846.db2.gz GAPGVLSANFCRMJ-CGTJXYLNSA-N 1 3 367.534 2.029 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000248384789 549424850 /nfs/dbraw/zinc/42/48/50/549424850.db2.gz GAPGVLSANFCRMJ-CGTJXYLNSA-N 1 3 367.534 2.029 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)C1 ZINC000489608550 561415424 /nfs/dbraw/zinc/41/54/24/561415424.db2.gz QKSODZYBDQHIPD-FCGDIQPGSA-N 1 3 350.551 2.336 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)C1 ZINC000489608550 561415425 /nfs/dbraw/zinc/41/54/25/561415425.db2.gz QKSODZYBDQHIPD-FCGDIQPGSA-N 1 3 350.551 2.336 20 0 FEADHO Cc1nc2ccccc2nc1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261891051 549767057 /nfs/dbraw/zinc/76/70/57/549767057.db2.gz QOQRZVKYRUTYRG-VQIMIIECSA-N 1 3 367.497 2.018 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261926917 549770330 /nfs/dbraw/zinc/77/03/30/549770330.db2.gz VTEWSRSIIIPRLK-DNVCBOLYSA-N 1 3 368.481 2.021 20 0 FEADHO C[C@@H]1CCCC[C@@H]1OCCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261939396 549771779 /nfs/dbraw/zinc/77/17/79/549771779.db2.gz XECKILSANDXTSI-MKXGPGLRSA-N 1 3 351.535 2.162 20 0 FEADHO CCOc1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000262298403 549807924 /nfs/dbraw/zinc/80/79/24/549807924.db2.gz WZILHWKTJUWHCC-HNNXBMFYSA-N 1 3 355.429 2.166 20 0 FEADHO CCO[C@H]1C[C@@](N)(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1(C)C ZINC000262780088 549849215 /nfs/dbraw/zinc/84/92/15/549849215.db2.gz KNBUEUHUXKPCTN-SIKLNZKXSA-N 1 3 373.541 2.342 20 0 FEADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000263116602 549878746 /nfs/dbraw/zinc/87/87/46/549878746.db2.gz APSKWXNVGYNPRE-GHTZIAJQSA-N 1 3 372.513 2.358 20 0 FEADHO C[C@@H](CC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000263238599 549888526 /nfs/dbraw/zinc/88/85/26/549888526.db2.gz FMUAXBGKIYPQDU-GNBUJSLZSA-N 1 3 365.562 2.360 20 0 FEADHO CCN1CCN(CCC[NH2+]Cc2cnc(-c3ccccc3OC)nc2)CC1 ZINC000490572890 561435433 /nfs/dbraw/zinc/43/54/33/561435433.db2.gz SOPVHSSHROBYRV-UHFFFAOYSA-N 1 3 369.513 2.269 20 0 FEADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)C[C@@H](C)O1 ZINC000263782938 549936312 /nfs/dbraw/zinc/93/63/12/549936312.db2.gz VYMFAPCXMIUYOM-QWFCFKBJSA-N 1 3 362.514 2.248 20 0 FEADHO CCCC[N@H+](C)CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000490885380 561439831 /nfs/dbraw/zinc/43/98/31/561439831.db2.gz FEUIIABUFDEMNU-UHFFFAOYSA-N 1 3 356.580 2.379 20 0 FEADHO CCCC[N@@H+](C)CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000490885380 561439832 /nfs/dbraw/zinc/43/98/32/561439832.db2.gz FEUIIABUFDEMNU-UHFFFAOYSA-N 1 3 356.580 2.379 20 0 FEADHO COc1ccccc1-c1ncc(CNCCCC[N@@H+]2CCC[C@H]2CO)cn1 ZINC000490896870 561439966 /nfs/dbraw/zinc/43/99/66/561439966.db2.gz DBWTYOQSVLXAES-SFHVURJKSA-N 1 3 370.497 2.479 20 0 FEADHO COc1ccccc1-c1ncc(CNCCCC[N@H+]2CCC[C@H]2CO)cn1 ZINC000490896870 561439967 /nfs/dbraw/zinc/43/99/67/561439967.db2.gz DBWTYOQSVLXAES-SFHVURJKSA-N 1 3 370.497 2.479 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)COCc2ccccc2)[C@H](C)C1 ZINC000268909275 550130176 /nfs/dbraw/zinc/13/01/76/550130176.db2.gz NPUCYOSBZOEEAJ-NRSPTQNISA-N 1 3 364.530 2.291 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)COCc2ccccc2)[C@H](C)C1 ZINC000268909275 550130180 /nfs/dbraw/zinc/13/01/80/550130180.db2.gz NPUCYOSBZOEEAJ-NRSPTQNISA-N 1 3 364.530 2.291 20 0 FEADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1Cl ZINC000268981654 550140894 /nfs/dbraw/zinc/14/08/94/550140894.db2.gz KOZQCYYIENYBHW-CQSZACIVSA-N 1 3 353.894 2.412 20 0 FEADHO C[NH+](C)C/C=C/C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000269404185 550191219 /nfs/dbraw/zinc/19/12/19/550191219.db2.gz DADBZCMJQBVNDX-YOCVDRLZSA-N 1 3 353.470 2.386 20 0 FEADHO COCOc1ccc(OC)cc1CNCCCC[N@@H+]1CCC[C@H]1CO ZINC000271191431 550350543 /nfs/dbraw/zinc/35/05/43/550350543.db2.gz GQQBVPUJMKCQFI-KRWDZBQOSA-N 1 3 352.475 2.004 20 0 FEADHO COCOc1ccc(OC)cc1CNCCCC[N@H+]1CCC[C@H]1CO ZINC000271191431 550350545 /nfs/dbraw/zinc/35/05/45/550350545.db2.gz GQQBVPUJMKCQFI-KRWDZBQOSA-N 1 3 352.475 2.004 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271449675 550376034 /nfs/dbraw/zinc/37/60/34/550376034.db2.gz DQZDLGCDVLDQOE-KXBFYZLASA-N 1 3 357.502 2.080 20 0 FEADHO Cc1cc2ncc([C@H](C)[NH2+]C3CCN([C@H]4CCC[C@H]4O)CC3)c(C)n2n1 ZINC000271537284 550383415 /nfs/dbraw/zinc/38/34/15/550383415.db2.gz SCAINDZSDGUFOY-ZOCIIQOWSA-N 1 3 357.502 2.375 20 0 FEADHO C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000271676778 550394765 /nfs/dbraw/zinc/39/47/65/550394765.db2.gz NTCVJLAFFGPJAY-WBVHZDCISA-N 1 3 353.532 2.462 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)[C@H]2C1 ZINC000272347096 550439631 /nfs/dbraw/zinc/43/96/31/550439631.db2.gz NWADIWIYKZZIOJ-NJYVYQBISA-N 1 3 370.541 2.287 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)[C@H]2C1 ZINC000272347096 550439632 /nfs/dbraw/zinc/43/96/32/550439632.db2.gz NWADIWIYKZZIOJ-NJYVYQBISA-N 1 3 370.541 2.287 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000272534376 550456562 /nfs/dbraw/zinc/45/65/62/550456562.db2.gz FZZDRMTWOQUIMG-YVWKXTFCSA-N 1 3 371.529 2.343 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000272534376 550456564 /nfs/dbraw/zinc/45/65/64/550456564.db2.gz FZZDRMTWOQUIMG-YVWKXTFCSA-N 1 3 371.529 2.343 20 0 FEADHO C[C@]1(NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO[C@H]1C1CC1 ZINC000273051567 550482486 /nfs/dbraw/zinc/48/24/86/550482486.db2.gz KLRUWDVKPHVGSH-VXKWHMMOSA-N 1 3 371.525 2.446 20 0 FEADHO Cc1noc(C2CCC([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)CC2)n1 ZINC000494803168 561476696 /nfs/dbraw/zinc/47/66/96/561476696.db2.gz CEOKZSPJHHSNMA-JCYILVPMSA-N 1 3 365.522 2.086 20 0 FEADHO C[C@H]1C[N@H+](CCCNC(=O)NC[C@@H](c2ccccc2)N(C)C)CCCO1 ZINC000277259800 550648780 /nfs/dbraw/zinc/64/87/80/550648780.db2.gz AMESTDLTLHDOIU-HKUYNNGSSA-N 1 3 362.518 2.089 20 0 FEADHO C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@H](c2ccccc2)N(C)C)CCCO1 ZINC000277259800 550648782 /nfs/dbraw/zinc/64/87/82/550648782.db2.gz AMESTDLTLHDOIU-HKUYNNGSSA-N 1 3 362.518 2.089 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H](c2ccccc2)N(C)C)CCCO1 ZINC000277259803 550648969 /nfs/dbraw/zinc/64/89/69/550648969.db2.gz AMESTDLTLHDOIU-MJGOQNOKSA-N 1 3 362.518 2.089 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H](c2ccccc2)N(C)C)CCCO1 ZINC000277259803 550648970 /nfs/dbraw/zinc/64/89/70/550648970.db2.gz AMESTDLTLHDOIU-MJGOQNOKSA-N 1 3 362.518 2.089 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)NCC1CC[NH+](C2CC2)CC1 ZINC000278225948 550762799 /nfs/dbraw/zinc/76/27/99/550762799.db2.gz SQZLSVXXJNYOAD-UHFFFAOYSA-N 1 3 371.529 2.472 20 0 FEADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000278742760 550816956 /nfs/dbraw/zinc/81/69/56/550816956.db2.gz WSEGYLGHXYLANS-HZPDHXFCSA-N 1 3 369.531 2.210 20 0 FEADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000278742760 550816958 /nfs/dbraw/zinc/81/69/58/550816958.db2.gz WSEGYLGHXYLANS-HZPDHXFCSA-N 1 3 369.531 2.210 20 0 FEADHO CN1CCN(CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000281714292 551133851 /nfs/dbraw/zinc/13/38/51/551133851.db2.gz HYTSVKUWFJEPED-HXUWFJFHSA-N 1 3 372.557 2.041 20 0 FEADHO CN1CCN(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000281714292 551133852 /nfs/dbraw/zinc/13/38/52/551133852.db2.gz HYTSVKUWFJEPED-HXUWFJFHSA-N 1 3 372.557 2.041 20 0 FEADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282161626 551188686 /nfs/dbraw/zinc/18/86/86/551188686.db2.gz DMJNAVGDGDPGFS-MRXNPFEDSA-N 1 3 362.518 2.028 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282389664 551221719 /nfs/dbraw/zinc/22/17/19/551221719.db2.gz RBEQGZQODANCML-OAHLLOKOSA-N 1 3 350.482 2.158 20 0 FEADHO COc1ccc(-c2n[nH]cc2C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282424701 551227012 /nfs/dbraw/zinc/22/70/12/551227012.db2.gz QZUOGXGLNAESHQ-UHFFFAOYSA-N 1 3 357.502 2.201 20 0 FEADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H](N)C3CCOCC3)cc2)CC1 ZINC000282451964 551231116 /nfs/dbraw/zinc/23/11/16/551231116.db2.gz HMUGAPRTARQKSC-HXUWFJFHSA-N 1 3 374.529 2.157 20 0 FEADHO N[C@H](CC(F)F)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000498207025 561518527 /nfs/dbraw/zinc/51/85/27/561518527.db2.gz SPKWNNJEKKSOIE-VQIMIIECSA-N 1 3 351.441 2.484 20 0 FEADHO N[C@H](CC(F)F)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000498207025 561518528 /nfs/dbraw/zinc/51/85/28/561518528.db2.gz SPKWNNJEKKSOIE-VQIMIIECSA-N 1 3 351.441 2.484 20 0 FEADHO N[C@@H](CC(F)F)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000498207024 561518609 /nfs/dbraw/zinc/51/86/09/561518609.db2.gz SPKWNNJEKKSOIE-QFBILLFUSA-N 1 3 351.441 2.484 20 0 FEADHO N[C@@H](CC(F)F)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000498207024 561518610 /nfs/dbraw/zinc/51/86/10/561518610.db2.gz SPKWNNJEKKSOIE-QFBILLFUSA-N 1 3 351.441 2.484 20 0 FEADHO CCN1C[C@@H](C)N(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000498573853 561529156 /nfs/dbraw/zinc/52/91/56/561529156.db2.gz VRUFQYDEAQEQKO-RTBURBONSA-N 1 3 358.530 2.140 20 0 FEADHO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000285135392 551709609 /nfs/dbraw/zinc/70/96/09/551709609.db2.gz QLDJVOBZVSLDOP-SJORKVTESA-N 1 3 351.441 2.212 20 0 FEADHO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000285135392 551709610 /nfs/dbraw/zinc/70/96/10/551709610.db2.gz QLDJVOBZVSLDOP-SJORKVTESA-N 1 3 351.441 2.212 20 0 FEADHO CN(CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)Cc1ccco1 ZINC000286370044 551879901 /nfs/dbraw/zinc/87/99/01/551879901.db2.gz CKCFUCCIPXERSD-LJQANCHMSA-N 1 3 363.502 2.203 20 0 FEADHO CN(CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1)Cc1ccco1 ZINC000286370044 551879903 /nfs/dbraw/zinc/87/99/03/551879903.db2.gz CKCFUCCIPXERSD-LJQANCHMSA-N 1 3 363.502 2.203 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCCN(C)CC2)N(C)C)cc1 ZINC000287871765 552057252 /nfs/dbraw/zinc/05/72/52/552057252.db2.gz DUYYKFJPDPEZRZ-LJQANCHMSA-N 1 3 362.518 2.424 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C)CC2)N(C)C)cc1 ZINC000287871765 552057253 /nfs/dbraw/zinc/05/72/53/552057253.db2.gz DUYYKFJPDPEZRZ-LJQANCHMSA-N 1 3 362.518 2.424 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](C)CC2)N(C)C)cc1 ZINC000287871765 552057254 /nfs/dbraw/zinc/05/72/54/552057254.db2.gz DUYYKFJPDPEZRZ-LJQANCHMSA-N 1 3 362.518 2.424 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCCN(C)CC2)[NH+](C)C)cc1 ZINC000287871765 552057255 /nfs/dbraw/zinc/05/72/55/552057255.db2.gz DUYYKFJPDPEZRZ-LJQANCHMSA-N 1 3 362.518 2.424 20 0 FEADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000288084416 552088007 /nfs/dbraw/zinc/08/80/07/552088007.db2.gz KBGWCRDNCFMEDW-MJGOQNOKSA-N 1 3 374.529 2.395 20 0 FEADHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000499914004 561561473 /nfs/dbraw/zinc/56/14/73/561561473.db2.gz RIZRXVQTIYGBQA-UHFFFAOYSA-N 1 3 366.893 2.185 20 0 FEADHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000499914004 561561474 /nfs/dbraw/zinc/56/14/74/561561474.db2.gz RIZRXVQTIYGBQA-UHFFFAOYSA-N 1 3 366.893 2.185 20 0 FEADHO CN1CC=C(CNC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)CC1 ZINC000288760804 552207293 /nfs/dbraw/zinc/20/72/93/552207293.db2.gz XFHVJAUJWAITFY-UHFFFAOYSA-N 1 3 367.497 2.103 20 0 FEADHO Cc1nc2ccccn2c(=O)c1CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000289293718 552296463 /nfs/dbraw/zinc/29/64/63/552296463.db2.gz BMHMTOSZVCKZEJ-XLIONFOSSA-N 1 3 366.509 2.494 20 0 FEADHO Cc1nc2ccccn2c(=O)c1CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000289293718 552296464 /nfs/dbraw/zinc/29/64/64/552296464.db2.gz BMHMTOSZVCKZEJ-XLIONFOSSA-N 1 3 366.509 2.494 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn(C)nc1-c1ccncc1 ZINC000289477383 552328209 /nfs/dbraw/zinc/32/82/09/552328209.db2.gz QCBSHVSKEKYNHO-FQEVSTJZSA-N 1 3 370.545 2.330 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn(C)nc1-c1ccncc1 ZINC000289477383 552328211 /nfs/dbraw/zinc/32/82/11/552328211.db2.gz QCBSHVSKEKYNHO-FQEVSTJZSA-N 1 3 370.545 2.330 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290170236 552437774 /nfs/dbraw/zinc/43/77/74/552437774.db2.gz OSVYDZWJAWZTRG-FQEVSTJZSA-N 1 3 370.541 2.047 20 0 FEADHO CC[N@@H+]1CC[C@H](NC[C@](C)(O)Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000290265335 552451021 /nfs/dbraw/zinc/45/10/21/552451021.db2.gz VQOBQDARQIJQEZ-RIFZZMRRSA-N 1 3 350.503 2.317 20 0 FEADHO CC[N@H+]1CC[C@H](NC[C@](C)(O)Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000290265335 552451024 /nfs/dbraw/zinc/45/10/24/552451024.db2.gz VQOBQDARQIJQEZ-RIFZZMRRSA-N 1 3 350.503 2.317 20 0 FEADHO C[NH+](C)CCCOc1cnccc1CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000290682154 552518953 /nfs/dbraw/zinc/51/89/53/552518953.db2.gz QNGJVDJMWUEDQT-LJQANCHMSA-N 1 3 374.529 2.435 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000291474597 552628172 /nfs/dbraw/zinc/62/81/72/552628172.db2.gz JRTYMBRWTGTPHU-GOSISDBHSA-N 1 3 365.905 2.048 20 0 FEADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCCN3CCc4ccccc4C3)C2)C1 ZINC000291595852 552641096 /nfs/dbraw/zinc/64/10/96/552641096.db2.gz HYYYJBFSTIITOT-OAQYLSRUSA-N 1 3 356.514 2.172 20 0 FEADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NCCCN3CCc4ccccc4C3)C2)C1 ZINC000291595852 552641097 /nfs/dbraw/zinc/64/10/97/552641097.db2.gz HYYYJBFSTIITOT-OAQYLSRUSA-N 1 3 356.514 2.172 20 0 FEADHO CN(c1ccccc1C[NH2+]CCCc1cnn(C)n1)C1CCN(C)CC1 ZINC000292989652 552777897 /nfs/dbraw/zinc/77/78/97/552777897.db2.gz NVSYGMKQJAWCSH-UHFFFAOYSA-N 1 3 356.518 2.068 20 0 FEADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000293642215 552843143 /nfs/dbraw/zinc/84/31/43/552843143.db2.gz OCBRBTIFJGEEEJ-INIZCTEOSA-N 1 3 355.482 2.404 20 0 FEADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(CN4CCC(CO)CC4)cc3)C2)C1 ZINC000294031985 552876880 /nfs/dbraw/zinc/87/68/80/552876880.db2.gz ZZQCSOZJTJXIMV-JOCHJYFZSA-N 1 3 371.525 2.059 20 0 FEADHO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(CN4CCC(CO)CC4)cc3)C2)C1 ZINC000294031985 552876881 /nfs/dbraw/zinc/87/68/81/552876881.db2.gz ZZQCSOZJTJXIMV-JOCHJYFZSA-N 1 3 371.525 2.059 20 0 FEADHO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(F)c(CN3CC[C@H]([C@H](C)O)C3)c2)C1 ZINC000295065856 552955443 /nfs/dbraw/zinc/95/54/43/552955443.db2.gz VVSYKHLAYQSXAV-ONIAQPFYSA-N 1 3 350.478 2.231 20 0 FEADHO O=C(N[C@@H]1CCCN(CCCO)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000295629447 553036278 /nfs/dbraw/zinc/03/62/78/553036278.db2.gz ZFDUCCZYVQMZOH-HXUWFJFHSA-N 1 3 359.514 2.249 20 0 FEADHO COCC[N@H+](C)CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000298593296 553446022 /nfs/dbraw/zinc/44/60/22/553446022.db2.gz VEJULAZMSDOHLS-INIZCTEOSA-N 1 3 368.547 2.153 20 0 FEADHO COCC[N@@H+](C)CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000298593296 553446023 /nfs/dbraw/zinc/44/60/23/553446023.db2.gz VEJULAZMSDOHLS-INIZCTEOSA-N 1 3 368.547 2.153 20 0 FEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(OCCO)CCOCC3)CC2)C1 ZINC000503932441 561650247 /nfs/dbraw/zinc/65/02/47/561650247.db2.gz YTGRYSNFDSARIF-IEBWSBKVSA-N 1 3 354.535 2.177 20 0 FEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC3(OCCO)CCOCC3)CC2)C1 ZINC000503932441 561650248 /nfs/dbraw/zinc/65/02/48/561650248.db2.gz YTGRYSNFDSARIF-IEBWSBKVSA-N 1 3 354.535 2.177 20 0 FEADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCc2ccccn2)CC1 ZINC000299720250 553606956 /nfs/dbraw/zinc/60/69/56/553606956.db2.gz SDSWNJGJABJKFO-UHFFFAOYSA-N 1 3 358.530 2.328 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000332541684 554467967 /nfs/dbraw/zinc/46/79/67/554467967.db2.gz XHTIJDHCWZVWDP-OGWHTMIXSA-N 1 3 366.550 2.035 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000333096505 554571812 /nfs/dbraw/zinc/57/18/12/554571812.db2.gz DCPUVVBTESFSLW-AQNXPRMDSA-N 1 3 365.562 2.381 20 0 FEADHO CC(C)(C)CCN1CCN(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000333256608 554595364 /nfs/dbraw/zinc/59/53/64/554595364.db2.gz DGSYIHRUAMJBMR-INIZCTEOSA-N 1 3 359.518 2.483 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333851607 554649603 /nfs/dbraw/zinc/64/96/03/554649603.db2.gz QCDKYQGXAVZCFP-ZIFCJYIRSA-N 1 3 366.550 2.049 20 0 FEADHO [NH3+]CC[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000333946301 554659601 /nfs/dbraw/zinc/65/96/01/554659601.db2.gz UMPBXXXGHRUIFB-MRXNPFEDSA-N 1 3 354.564 2.118 20 0 FEADHO Cn1cc([C@@H](N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c2cccc(F)c2)cn1 ZINC000361067113 554902850 /nfs/dbraw/zinc/90/28/50/554902850.db2.gz MOSMSRPPKFAJFS-CTNGQTDRSA-N 1 3 371.504 2.407 20 0 FEADHO Cn1cc([C@@H](N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c2cccc(F)c2)cn1 ZINC000361067113 554902853 /nfs/dbraw/zinc/90/28/53/554902853.db2.gz MOSMSRPPKFAJFS-CTNGQTDRSA-N 1 3 371.504 2.407 20 0 FEADHO CCc1cc(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)nc(-c2ccccn2)n1 ZINC000363031605 555014420 /nfs/dbraw/zinc/01/44/20/555014420.db2.gz MJNBAFYNXQJPPB-KRWDZBQOSA-N 1 3 366.513 2.681 20 0 FEADHO CCc1cc(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)nc(-c2ccccn2)n1 ZINC000363031606 555014479 /nfs/dbraw/zinc/01/44/79/555014479.db2.gz MJNBAFYNXQJPPB-QGZVFWFLSA-N 1 3 366.513 2.681 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)c1ccccc1 ZINC000363178937 555047054 /nfs/dbraw/zinc/04/70/54/555047054.db2.gz AMOVRUAKCMMBOI-FQEVSTJZSA-N 1 3 374.529 2.186 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1)c1ccccc1 ZINC000363178937 555047060 /nfs/dbraw/zinc/04/70/60/555047060.db2.gz AMOVRUAKCMMBOI-FQEVSTJZSA-N 1 3 374.529 2.186 20 0 FEADHO COCCCN1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000363484486 555117511 /nfs/dbraw/zinc/11/75/11/555117511.db2.gz ZLPCUGHEJRTGNZ-UHFFFAOYSA-N 1 3 359.514 2.467 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000531357279 562443171 /nfs/dbraw/zinc/44/31/71/562443171.db2.gz QNUYOWPUSQEHTE-UHFFFAOYSA-N 1 3 369.893 2.067 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)C1 ZINC000363645177 555153988 /nfs/dbraw/zinc/15/39/88/555153988.db2.gz CDAGLLOJYZMUCF-WJFTUGDTSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(OCCN(C)C)cc1 ZINC000363784281 555185718 /nfs/dbraw/zinc/18/57/18/555185718.db2.gz MSEOWEZATMOKDA-SJLPKXTDSA-N 1 3 357.502 2.290 20 0 FEADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000364158820 555260188 /nfs/dbraw/zinc/26/01/88/555260188.db2.gz FMHAFKWWUOMWTE-WDSOQIARSA-N 1 3 359.518 2.106 20 0 FEADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000364158820 555260189 /nfs/dbraw/zinc/26/01/89/555260189.db2.gz FMHAFKWWUOMWTE-WDSOQIARSA-N 1 3 359.518 2.106 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000512512044 561908165 /nfs/dbraw/zinc/90/81/65/561908165.db2.gz PRBYCDBZTLIZFY-OALUTQOASA-N 1 3 374.529 2.096 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000512512044 561908166 /nfs/dbraw/zinc/90/81/66/561908166.db2.gz PRBYCDBZTLIZFY-OALUTQOASA-N 1 3 374.529 2.096 20 0 FEADHO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000364731711 555388355 /nfs/dbraw/zinc/38/83/55/555388355.db2.gz CBVGABRMHPLZSH-KRWDZBQOSA-N 1 3 367.497 2.182 20 0 FEADHO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000364731711 555388356 /nfs/dbraw/zinc/38/83/56/555388356.db2.gz CBVGABRMHPLZSH-KRWDZBQOSA-N 1 3 367.497 2.182 20 0 FEADHO CCN1CCN([C@@H](C)CNC(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000513202598 561929038 /nfs/dbraw/zinc/92/90/38/561929038.db2.gz SBSUGDXOYHGZOZ-SFHVURJKSA-N 1 3 360.546 2.284 20 0 FEADHO CC(C)C[C@H](N)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366328733 555813576 /nfs/dbraw/zinc/81/35/76/555813576.db2.gz VQROYNCLEOZAHU-IBGZPJMESA-N 1 3 352.567 2.015 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000514056868 561958905 /nfs/dbraw/zinc/95/89/05/561958905.db2.gz NGDUFSDGCCFHJP-ROUUACIJSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000514056868 561958907 /nfs/dbraw/zinc/95/89/07/561958907.db2.gz NGDUFSDGCCFHJP-ROUUACIJSA-N 1 3 360.502 2.053 20 0 FEADHO CN1CC[C@H]([NH2+]CCN2CCN(Cc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000514081693 561959717 /nfs/dbraw/zinc/95/97/17/561959717.db2.gz DEIWZDJHEIJBLP-FKBYEOEOSA-N 1 3 356.558 2.267 20 0 FEADHO C[N@@H+]1CC[C@H](NCCN2CCN(Cc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000514081693 561959718 /nfs/dbraw/zinc/95/97/18/561959718.db2.gz DEIWZDJHEIJBLP-FKBYEOEOSA-N 1 3 356.558 2.267 20 0 FEADHO C[N@H+]1CC[C@H](NCCN2CCN(Cc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000514081693 561959720 /nfs/dbraw/zinc/95/97/20/561959720.db2.gz DEIWZDJHEIJBLP-FKBYEOEOSA-N 1 3 356.558 2.267 20 0 FEADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000367532968 556075830 /nfs/dbraw/zinc/07/58/30/556075830.db2.gz GJWNYNBOFIWKQW-WQANXHIZSA-N 1 3 365.543 2.460 20 0 FEADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000367532968 556075831 /nfs/dbraw/zinc/07/58/31/556075831.db2.gz GJWNYNBOFIWKQW-WQANXHIZSA-N 1 3 365.543 2.460 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000367532968 556075832 /nfs/dbraw/zinc/07/58/32/556075832.db2.gz GJWNYNBOFIWKQW-WQANXHIZSA-N 1 3 365.543 2.460 20 0 FEADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1N(C)C1CCN(CCc2ccccn2)CC1 ZINC000367560841 556083053 /nfs/dbraw/zinc/08/30/53/556083053.db2.gz BJRFMQFXOKHHJD-UGKGYDQZSA-N 1 3 371.573 2.494 20 0 FEADHO C[C@H](c1cn(-c2ccccc2)nn1)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367673847 556111001 /nfs/dbraw/zinc/11/10/01/556111001.db2.gz SKKBOMUWZAUBOC-XLIONFOSSA-N 1 3 368.529 2.429 20 0 FEADHO COC(=O)c1ccc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000367674197 556111169 /nfs/dbraw/zinc/11/11/69/556111169.db2.gz UNXKKECJOBWLDP-OAHLLOKOSA-N 1 3 351.516 2.135 20 0 FEADHO CC(C)OCC[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000368152246 556231001 /nfs/dbraw/zinc/23/10/01/556231001.db2.gz NPCGNQPXRFIMTM-IBGZPJMESA-N 1 3 357.514 2.205 20 0 FEADHO CC[NH+]1CCC(CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000515104740 561996705 /nfs/dbraw/zinc/99/67/05/561996705.db2.gz GLOLFWNQSZRACW-UHFFFAOYSA-N 1 3 358.530 2.117 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000368313781 556275618 /nfs/dbraw/zinc/27/56/18/556275618.db2.gz APJYTTMOVIQALE-IAGOWNOFSA-N 1 3 351.535 2.066 20 0 FEADHO O[C@H](COCC(F)(F)F)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368396569 556296560 /nfs/dbraw/zinc/29/65/60/556296560.db2.gz DUMFRJBBYYODLY-SQNIBIBYSA-N 1 3 372.431 2.380 20 0 FEADHO O[C@H](COCC(F)(F)F)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368396569 556296562 /nfs/dbraw/zinc/29/65/62/556296562.db2.gz DUMFRJBBYYODLY-SQNIBIBYSA-N 1 3 372.431 2.380 20 0 FEADHO C[C@@H]1CN(Cc2c[nH]nc2-c2cccnc2)CCN1C1CC[NH+](C)CC1 ZINC000368585842 556353429 /nfs/dbraw/zinc/35/34/29/556353429.db2.gz ULUJPFZWXKDHIK-MRXNPFEDSA-N 1 3 354.502 2.072 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000515755893 562021189 /nfs/dbraw/zinc/02/11/89/562021189.db2.gz UTEFGYBRBBERCK-UZLBHIALSA-N 1 3 371.529 2.485 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000515755893 562021190 /nfs/dbraw/zinc/02/11/90/562021190.db2.gz UTEFGYBRBBERCK-UZLBHIALSA-N 1 3 371.529 2.485 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(CN(C)C)cc2)CC1=O ZINC000369038582 556485275 /nfs/dbraw/zinc/48/52/75/556485275.db2.gz MPSQFBBPTMMSFU-HKUYNNGSSA-N 1 3 372.513 2.020 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(CN(C)C)cc2)CC1=O ZINC000369038582 556485276 /nfs/dbraw/zinc/48/52/76/556485276.db2.gz MPSQFBBPTMMSFU-HKUYNNGSSA-N 1 3 372.513 2.020 20 0 FEADHO CCN(CC)[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000369278342 556561766 /nfs/dbraw/zinc/56/17/66/556561766.db2.gz QSUZRTWUVGEKJC-FPOVZHCZSA-N 1 3 372.557 2.354 20 0 FEADHO CCN(CC)[C@H](C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000369278342 556561768 /nfs/dbraw/zinc/56/17/68/556561768.db2.gz QSUZRTWUVGEKJC-FPOVZHCZSA-N 1 3 372.557 2.354 20 0 FEADHO CCN(CC)[C@H](C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369278342 556561770 /nfs/dbraw/zinc/56/17/70/556561770.db2.gz QSUZRTWUVGEKJC-FPOVZHCZSA-N 1 3 372.557 2.354 20 0 FEADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369394304 556588969 /nfs/dbraw/zinc/58/89/69/556588969.db2.gz HAIONBWNGZCBDO-ZSYWTGECSA-N 1 3 368.566 2.151 20 0 FEADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369394304 556588970 /nfs/dbraw/zinc/58/89/70/556588970.db2.gz HAIONBWNGZCBDO-ZSYWTGECSA-N 1 3 368.566 2.151 20 0 FEADHO CN(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000369432496 556599215 /nfs/dbraw/zinc/59/92/15/556599215.db2.gz MCKJXGSZTRWWIB-MOPGFXCFSA-N 1 3 374.529 2.014 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000369639284 556654819 /nfs/dbraw/zinc/65/48/19/556654819.db2.gz GOTGAIGWMHTBCH-ZWKOTPCHSA-N 1 3 351.535 2.210 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000369639284 556654821 /nfs/dbraw/zinc/65/48/21/556654821.db2.gz GOTGAIGWMHTBCH-ZWKOTPCHSA-N 1 3 351.535 2.210 20 0 FEADHO CN(C)Cc1cccc(C(=O)N2CCC(CC[NH+]3CCN(C)CC3)CC2)c1 ZINC000369927974 556732535 /nfs/dbraw/zinc/73/25/35/556732535.db2.gz SBOWKARDKFSOQC-UHFFFAOYSA-N 1 3 372.557 2.238 20 0 FEADHO COc1ccccc1COC[C@@H](O)CNC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000516562904 562048234 /nfs/dbraw/zinc/04/82/34/562048234.db2.gz FIHBIQJBYNFUNF-MJGOQNOKSA-N 1 3 350.503 2.283 20 0 FEADHO COc1ccccc1COC[C@@H](O)CNC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000516562904 562048235 /nfs/dbraw/zinc/04/82/35/562048235.db2.gz FIHBIQJBYNFUNF-MJGOQNOKSA-N 1 3 350.503 2.283 20 0 FEADHO COc1ccccc1COC[C@@H](O)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000516562904 562048237 /nfs/dbraw/zinc/04/82/37/562048237.db2.gz FIHBIQJBYNFUNF-MJGOQNOKSA-N 1 3 350.503 2.283 20 0 FEADHO C[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370149539 556795197 /nfs/dbraw/zinc/79/51/97/556795197.db2.gz ORXPLETUGYQKNO-WIYYLYMNSA-N 1 3 353.514 2.330 20 0 FEADHO CCCN1CC[C@H](C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000370677745 556937436 /nfs/dbraw/zinc/93/74/36/556937436.db2.gz ZLKQBUOXHPUUBC-OAHLLOKOSA-N 1 3 371.572 2.223 20 0 FEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000371280912 557130071 /nfs/dbraw/zinc/13/00/71/557130071.db2.gz SPTDYESGZVQLNB-AHRSYUTCSA-N 1 3 352.482 2.498 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cn(C)nc2-c2cccnc2)C1 ZINC000371311510 557141859 /nfs/dbraw/zinc/14/18/59/557141859.db2.gz XBKKVSLTMHHGLV-IBGZPJMESA-N 1 3 357.502 2.415 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000371336474 557150689 /nfs/dbraw/zinc/15/06/89/557150689.db2.gz PKSUWWILONGOMI-AYOQOUSVSA-N 1 3 351.922 2.331 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000371336474 557150691 /nfs/dbraw/zinc/15/06/91/557150691.db2.gz PKSUWWILONGOMI-AYOQOUSVSA-N 1 3 351.922 2.331 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000517422410 562089781 /nfs/dbraw/zinc/08/97/81/562089781.db2.gz UXOHFCNFHLLBBE-UHFFFAOYSA-N 1 3 368.566 2.392 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000517422410 562089783 /nfs/dbraw/zinc/08/97/83/562089783.db2.gz UXOHFCNFHLLBBE-UHFFFAOYSA-N 1 3 368.566 2.392 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c(C)nc2sc(C)nn12 ZINC000517438408 562090308 /nfs/dbraw/zinc/09/03/08/562090308.db2.gz BYDNNNOQOKWRPG-MRXNPFEDSA-N 1 3 364.563 2.256 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c(C)nc2sc(C)nn12 ZINC000517438408 562090309 /nfs/dbraw/zinc/09/03/09/562090309.db2.gz BYDNNNOQOKWRPG-MRXNPFEDSA-N 1 3 364.563 2.256 20 0 FEADHO CCc1oc(C(=O)OC)cc1CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371424506 557183004 /nfs/dbraw/zinc/18/30/04/557183004.db2.gz OJGUUOFJLDNLQD-KRWDZBQOSA-N 1 3 363.502 2.229 20 0 FEADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CN4CCC(CO)CC4)cc3)C[C@H]21 ZINC000371553822 557220591 /nfs/dbraw/zinc/22/05/91/557220591.db2.gz NJYNDWORHVCNEY-TZIWHRDSSA-N 1 3 371.525 2.057 20 0 FEADHO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CN4CCC(CO)CC4)cc3)C[C@H]21 ZINC000371553822 557220596 /nfs/dbraw/zinc/22/05/96/557220596.db2.gz NJYNDWORHVCNEY-TZIWHRDSSA-N 1 3 371.525 2.057 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000371606014 557237023 /nfs/dbraw/zinc/23/70/23/557237023.db2.gz SFBZBCAUGRVQRL-UXHICEINSA-N 1 3 373.545 2.325 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000371606014 557237026 /nfs/dbraw/zinc/23/70/26/557237026.db2.gz SFBZBCAUGRVQRL-UXHICEINSA-N 1 3 373.545 2.325 20 0 FEADHO C[C@H](C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000371948500 557336159 /nfs/dbraw/zinc/33/61/59/557336159.db2.gz PWFJKGWVYGXDHK-CEXWTWQISA-N 1 3 364.578 2.124 20 0 FEADHO C[C@H](C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000371948500 557336162 /nfs/dbraw/zinc/33/61/62/557336162.db2.gz PWFJKGWVYGXDHK-CEXWTWQISA-N 1 3 364.578 2.124 20 0 FEADHO C[C@@H]1CN(Cc2cc3ccccc3[nH]c2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372329659 557441086 /nfs/dbraw/zinc/44/10/86/557441086.db2.gz COYKQRGQXYFMCA-OXQOHEQNSA-N 1 3 354.498 2.398 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)c1ccccc1 ZINC000519650337 562138651 /nfs/dbraw/zinc/13/86/51/562138651.db2.gz XLSWRONUEUCGGX-HSALFYBXSA-N 1 3 359.514 2.297 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1)c1ccccc1 ZINC000519650337 562138652 /nfs/dbraw/zinc/13/86/52/562138652.db2.gz XLSWRONUEUCGGX-HSALFYBXSA-N 1 3 359.514 2.297 20 0 FEADHO COC[C@H](C)OC[C@@H](O)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000373180754 557645259 /nfs/dbraw/zinc/64/52/59/557645259.db2.gz QAPDVHUGAXJNAT-BJLQDIEVSA-N 1 3 356.551 2.375 20 0 FEADHO COC[C@H](C)OC[C@@H](O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000373180754 557645262 /nfs/dbraw/zinc/64/52/62/557645262.db2.gz QAPDVHUGAXJNAT-BJLQDIEVSA-N 1 3 356.551 2.375 20 0 FEADHO C[C@H](CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000373264311 557661285 /nfs/dbraw/zinc/66/12/85/557661285.db2.gz OYEXNIWQEUTKOC-MSOLQXFVSA-N 1 3 366.550 2.146 20 0 FEADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000520772177 562163329 /nfs/dbraw/zinc/16/33/29/562163329.db2.gz YAAKTRAFVBAQNQ-YSIASYRMSA-N 1 3 356.514 2.437 20 0 FEADHO O[C@@H](Cn1cccn1)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374064296 557816675 /nfs/dbraw/zinc/81/66/75/557816675.db2.gz IZWIOHWTOALYJS-RTWAWAEBSA-N 1 3 354.498 2.232 20 0 FEADHO O[C@@H](Cn1cccn1)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374064296 557816676 /nfs/dbraw/zinc/81/66/76/557816676.db2.gz IZWIOHWTOALYJS-RTWAWAEBSA-N 1 3 354.498 2.232 20 0 FEADHO CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374298476 557861066 /nfs/dbraw/zinc/86/10/66/557861066.db2.gz VQTMJPMEAFCWNL-HZPDHXFCSA-N 1 3 364.534 2.053 20 0 FEADHO CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374298476 557861067 /nfs/dbraw/zinc/86/10/67/557861067.db2.gz VQTMJPMEAFCWNL-HZPDHXFCSA-N 1 3 364.534 2.053 20 0 FEADHO C[C@H](NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)C1=CC[N@H+](C)CC1 ZINC000374753436 557925919 /nfs/dbraw/zinc/92/59/19/557925919.db2.gz LGMZKPPRKCNNDM-PKOBYXMFSA-N 1 3 371.529 2.243 20 0 FEADHO C[C@H](NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)C1=CC[N@@H+](C)CC1 ZINC000374753436 557925920 /nfs/dbraw/zinc/92/59/20/557925920.db2.gz LGMZKPPRKCNNDM-PKOBYXMFSA-N 1 3 371.529 2.243 20 0 FEADHO CC[NH+](CC)C[C@@H](C)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000521181037 562171111 /nfs/dbraw/zinc/17/11/11/562171111.db2.gz UEROHEXQEVNQAX-LJQANCHMSA-N 1 3 360.546 2.435 20 0 FEADHO C[C@@H](C(=O)Nc1ncccn1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374841653 557939437 /nfs/dbraw/zinc/93/94/37/557939437.db2.gz QZRMOKUGZICFGP-HNNXBMFYSA-N 1 3 354.458 2.047 20 0 FEADHO CC(C)(C)OC(=O)NCCOCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000375082079 557975196 /nfs/dbraw/zinc/97/51/96/557975196.db2.gz VWYMIOGLFXMSLA-UHFFFAOYSA-N 1 3 355.523 2.336 20 0 FEADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN2CCC1CC2 ZINC000375218004 557993546 /nfs/dbraw/zinc/99/35/46/557993546.db2.gz JVTDPLVKCVCXCO-FXAWDEMLSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN2CCC1CC2 ZINC000375218004 557993548 /nfs/dbraw/zinc/99/35/48/557993548.db2.gz JVTDPLVKCVCXCO-FXAWDEMLSA-N 1 3 356.514 2.387 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CC1 ZINC000375750649 558076576 /nfs/dbraw/zinc/07/65/76/558076576.db2.gz NLSSRNFEPSTDFI-INIZCTEOSA-N 1 3 351.457 2.182 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CC1 ZINC000375750649 558076577 /nfs/dbraw/zinc/07/65/77/558076577.db2.gz NLSSRNFEPSTDFI-INIZCTEOSA-N 1 3 351.457 2.182 20 0 FEADHO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000375819175 558084621 /nfs/dbraw/zinc/08/46/21/558084621.db2.gz XYWWESMOMFPQLS-IERDGZPVSA-N 1 3 353.514 2.396 20 0 FEADHO Cc1nc2ccccc2nc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000375819175 558084622 /nfs/dbraw/zinc/08/46/22/558084622.db2.gz XYWWESMOMFPQLS-IERDGZPVSA-N 1 3 353.514 2.396 20 0 FEADHO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000376134480 558131392 /nfs/dbraw/zinc/13/13/92/558131392.db2.gz WOGLEPKWBRBTDK-HOTGVXAUSA-N 1 3 350.894 2.489 20 0 FEADHO O=C(c1cc(Cl)c[nH]1)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000376134480 558131394 /nfs/dbraw/zinc/13/13/94/558131394.db2.gz WOGLEPKWBRBTDK-HOTGVXAUSA-N 1 3 350.894 2.489 20 0 FEADHO O=C(c1cc(Cl)c[nH]1)N1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000376134480 558131396 /nfs/dbraw/zinc/13/13/96/558131396.db2.gz WOGLEPKWBRBTDK-HOTGVXAUSA-N 1 3 350.894 2.489 20 0 FEADHO CCOC(=O)CC(C)(C)CCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000376512417 558183495 /nfs/dbraw/zinc/18/34/95/558183495.db2.gz RQFLUENWHITUHP-SFHVURJKSA-N 1 3 353.551 2.458 20 0 FEADHO CCOC(=O)CC(C)(C)CCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000376512417 558183496 /nfs/dbraw/zinc/18/34/96/558183496.db2.gz RQFLUENWHITUHP-SFHVURJKSA-N 1 3 353.551 2.458 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000376639116 558201640 /nfs/dbraw/zinc/20/16/40/558201640.db2.gz DCFUOJAMDSAAPN-WQHGSSGSSA-N 1 3 374.529 2.470 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000376639116 558201642 /nfs/dbraw/zinc/20/16/42/558201642.db2.gz DCFUOJAMDSAAPN-WQHGSSGSSA-N 1 3 374.529 2.470 20 0 FEADHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000521881270 562185778 /nfs/dbraw/zinc/18/57/78/562185778.db2.gz WTSMBAPUSXXGPA-KUHUBIRLSA-N 1 3 363.889 2.051 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000521986980 562188220 /nfs/dbraw/zinc/18/82/20/562188220.db2.gz ZBCXHGDMHUXSLX-YHUYVZNPSA-N 1 3 356.514 2.337 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000377512451 558354987 /nfs/dbraw/zinc/35/49/87/558354987.db2.gz OJMGMDBFPWXRET-NRFANRHFSA-N 1 3 372.557 2.042 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377512451 558354991 /nfs/dbraw/zinc/35/49/91/558354991.db2.gz OJMGMDBFPWXRET-NRFANRHFSA-N 1 3 372.557 2.042 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000377539505 558360176 /nfs/dbraw/zinc/36/01/76/558360176.db2.gz GDQZRWBFVQHJQU-HXUWFJFHSA-N 1 3 359.514 2.126 20 0 FEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000377905956 558445384 /nfs/dbraw/zinc/44/53/84/558445384.db2.gz NWGSXWHZNUVPFG-QUCCMNQESA-N 1 3 356.514 2.387 20 0 FEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000377905956 558445386 /nfs/dbraw/zinc/44/53/86/558445386.db2.gz NWGSXWHZNUVPFG-QUCCMNQESA-N 1 3 356.514 2.387 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000522948282 562206451 /nfs/dbraw/zinc/20/64/51/562206451.db2.gz MSGOMLOAOHYKIV-HXUWFJFHSA-N 1 3 374.529 2.192 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccc(OCCC[NH+](C)C)cc3)C[C@H]21 ZINC000378448582 558559823 /nfs/dbraw/zinc/55/98/23/558559823.db2.gz CPZLXCPQWKAUBK-UYAOXDASSA-N 1 3 374.529 2.253 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccc(OCCC[NH+](C)C)cc3)C[C@@H]21 ZINC000378448581 558560061 /nfs/dbraw/zinc/56/00/61/558560061.db2.gz CPZLXCPQWKAUBK-QUCCMNQESA-N 1 3 374.529 2.253 20 0 FEADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1cccc(Br)c1 ZINC000386968175 558607627 /nfs/dbraw/zinc/60/76/27/558607627.db2.gz XRDTURSBYVMNEB-BBRMVZONSA-N 1 3 369.303 2.263 20 0 FEADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1cccc(Br)c1 ZINC000386968175 558607629 /nfs/dbraw/zinc/60/76/29/558607629.db2.gz XRDTURSBYVMNEB-BBRMVZONSA-N 1 3 369.303 2.263 20 0 FEADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1cccc(Br)c1 ZINC000386968175 558607633 /nfs/dbraw/zinc/60/76/33/558607633.db2.gz XRDTURSBYVMNEB-BBRMVZONSA-N 1 3 369.303 2.263 20 0 FEADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1cccc(Br)c1 ZINC000386968182 558607743 /nfs/dbraw/zinc/60/77/43/558607743.db2.gz XRDTURSBYVMNEB-XJKSGUPXSA-N 1 3 369.303 2.263 20 0 FEADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1cccc(Br)c1 ZINC000386968182 558607744 /nfs/dbraw/zinc/60/77/44/558607744.db2.gz XRDTURSBYVMNEB-XJKSGUPXSA-N 1 3 369.303 2.263 20 0 FEADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1cccc(Br)c1 ZINC000386968182 558607746 /nfs/dbraw/zinc/60/77/46/558607746.db2.gz XRDTURSBYVMNEB-XJKSGUPXSA-N 1 3 369.303 2.263 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)Sc1ccccc1 ZINC000525305438 562245766 /nfs/dbraw/zinc/24/57/66/562245766.db2.gz YKAQRPIUNXKXPQ-MRXNPFEDSA-N 1 3 352.548 2.302 20 0 FEADHO O=C(NCC1CC[NH+](CCO)CC1)c1cccc(CN2CCCCC2)c1 ZINC000412204116 559019820 /nfs/dbraw/zinc/01/98/20/559019820.db2.gz WKGXIYBYKJKHIR-UHFFFAOYSA-N 1 3 359.514 2.107 20 0 FEADHO C[C@H]1C[C@@H]1N1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[C@@H](C)C1 ZINC000412359318 559030773 /nfs/dbraw/zinc/03/07/73/559030773.db2.gz JZLZEUVOEYYTKC-DKKFBQAASA-N 1 3 365.587 2.393 20 0 FEADHO COc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c2ncccc12 ZINC000526176570 562268079 /nfs/dbraw/zinc/26/80/79/562268079.db2.gz YQALBTLWABWGHJ-UHFFFAOYSA-N 1 3 359.474 2.201 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)[C@@](C)(OC)C1CC1 ZINC000413692040 559125114 /nfs/dbraw/zinc/12/51/14/559125114.db2.gz OOMHKHAVBGYEFO-ILZDJORESA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)[C@@](C)(OC)C1CC1 ZINC000413692040 559125115 /nfs/dbraw/zinc/12/51/15/559125115.db2.gz OOMHKHAVBGYEFO-ILZDJORESA-N 1 3 368.566 2.248 20 0 FEADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc(F)cc(F)c1 ZINC000414186286 559151930 /nfs/dbraw/zinc/15/19/30/559151930.db2.gz HJASRUCFCDYVSR-OAHLLOKOSA-N 1 3 353.457 2.412 20 0 FEADHO CN1CCC(C[NH2+]Cc2ccccc2OCC2CC2)(N2CCOCC2)CC1 ZINC000414482481 559167778 /nfs/dbraw/zinc/16/77/78/559167778.db2.gz LRNXOFUBXOOBJK-UHFFFAOYSA-N 1 3 373.541 2.362 20 0 FEADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(C(N)=O)cc1 ZINC000414521013 559169943 /nfs/dbraw/zinc/16/99/43/559169943.db2.gz BIBOCJFQHJYEKP-NHCUHLMSSA-N 1 3 367.493 2.412 20 0 FEADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(C(N)=O)cc1 ZINC000414521013 559169944 /nfs/dbraw/zinc/16/99/44/559169944.db2.gz BIBOCJFQHJYEKP-NHCUHLMSSA-N 1 3 367.493 2.412 20 0 FEADHO COc1ccc(C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)[C@H](C)C2CC2)cc1 ZINC000414682475 559179304 /nfs/dbraw/zinc/17/93/04/559179304.db2.gz RGYSJKBNSTVUMA-SJLPKXTDSA-N 1 3 359.514 2.493 20 0 FEADHO COc1ccc(C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)[C@H](C)C2CC2)cc1 ZINC000414682475 559179306 /nfs/dbraw/zinc/17/93/06/559179306.db2.gz RGYSJKBNSTVUMA-SJLPKXTDSA-N 1 3 359.514 2.493 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)cc1 ZINC000527062615 562275150 /nfs/dbraw/zinc/27/51/50/562275150.db2.gz KMSMYDDCYXGMIG-INIZCTEOSA-N 1 3 360.502 2.067 20 0 FEADHO CCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000414745712 559184322 /nfs/dbraw/zinc/18/43/22/559184322.db2.gz PVGAUURFGIJYMF-ZWKOTPCHSA-N 1 3 374.529 2.231 20 0 FEADHO CCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000414745712 559184324 /nfs/dbraw/zinc/18/43/24/559184324.db2.gz PVGAUURFGIJYMF-ZWKOTPCHSA-N 1 3 374.529 2.231 20 0 FEADHO COc1cc(OC)cc(N2CC[C@H](N(C)C[C@H]3CC[NH2+][C@@H](C)C3)C2=O)c1 ZINC000414756388 559185402 /nfs/dbraw/zinc/18/54/02/559185402.db2.gz QQBTWXAGRVPDKC-DOXZYTNZSA-N 1 3 361.486 2.129 20 0 FEADHO Cc1nn(Cc2ccccc2Cl)c(C)c1CNCCN1CC[NH2+]CC1 ZINC000414869835 559192025 /nfs/dbraw/zinc/19/20/25/559192025.db2.gz RUBYOOIVYZHCEJ-UHFFFAOYSA-N 1 3 361.921 2.196 20 0 FEADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414887030 559193209 /nfs/dbraw/zinc/19/32/09/559193209.db2.gz WJSVWRKCNMSRSO-QAPCUYQASA-N 1 3 360.502 2.416 20 0 FEADHO O=C(Nc1ccc2c(c1)CNC2)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000414921407 559195278 /nfs/dbraw/zinc/19/52/78/559195278.db2.gz FOWNYQLYXKZMDH-UHFFFAOYSA-N 1 3 370.497 2.142 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2cccs2)cc1 ZINC000414944189 559196384 /nfs/dbraw/zinc/19/63/84/559196384.db2.gz PDIDISUKDQTPHU-AWEZNQCLSA-N 1 3 374.510 2.297 20 0 FEADHO COc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000414996614 559199737 /nfs/dbraw/zinc/19/97/37/559199737.db2.gz XJMYAHJNRQDXJQ-CQSZACIVSA-N 1 3 351.800 2.274 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000414997387 559199829 /nfs/dbraw/zinc/19/98/29/559199829.db2.gz YYGPYMJUJPFZGH-GOSISDBHSA-N 1 3 374.529 2.361 20 0 FEADHO C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415068594 559203782 /nfs/dbraw/zinc/20/37/82/559203782.db2.gz NFLDZUYFVSPCSE-IBGZPJMESA-N 1 3 362.543 2.481 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)c1 ZINC000415107341 559205517 /nfs/dbraw/zinc/20/55/17/559205517.db2.gz JBZQOIWDCBYPGG-LJQANCHMSA-N 1 3 372.513 2.212 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)C1 ZINC000415108850 559205819 /nfs/dbraw/zinc/20/58/19/559205819.db2.gz PHEUFKJXDQFJSD-INIZCTEOSA-N 1 3 372.444 2.300 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)CN2CCCCCC2)c1 ZINC000415128839 559207069 /nfs/dbraw/zinc/20/70/69/559207069.db2.gz YFWRQTZVZWTDSC-MRXNPFEDSA-N 1 3 360.502 2.115 20 0 FEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415240921 559217503 /nfs/dbraw/zinc/21/75/03/559217503.db2.gz ASWNERYROZXLSR-YJBOKZPZSA-N 1 3 360.502 2.272 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415445541 559237780 /nfs/dbraw/zinc/23/77/80/559237780.db2.gz HZYQWFFUQWIPLZ-SFHVURJKSA-N 1 3 360.502 2.019 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NC[C@@]3(C)CCC[NH2+]C3)c2)CC1 ZINC000415495220 559243411 /nfs/dbraw/zinc/24/34/11/559243411.db2.gz IVVUAVPTGMSWFZ-FQEVSTJZSA-N 1 3 359.518 2.340 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])c2)CC1 ZINC000415498241 559243816 /nfs/dbraw/zinc/24/38/16/559243816.db2.gz MNNXFZSFTANROA-LPHOPBHVSA-N 1 3 359.518 2.420 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000415917487 559282534 /nfs/dbraw/zinc/28/25/34/559282534.db2.gz JTJVDVXBTNINHG-UHFFFAOYSA-N 1 3 361.534 2.334 20 0 FEADHO C[NH2+]Cc1ccccc1NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000415929216 559283133 /nfs/dbraw/zinc/28/31/33/559283133.db2.gz YTQIIMMTPVAVQH-LJQANCHMSA-N 1 3 368.481 2.294 20 0 FEADHO O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416001009 559288501 /nfs/dbraw/zinc/28/85/01/559288501.db2.gz YHXLLXDHNJKWAS-VQTJNVASSA-N 1 3 366.465 2.047 20 0 FEADHO COCC[NH2+]CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416829178 559334210 /nfs/dbraw/zinc/33/42/10/559334210.db2.gz FLTWFKGDKKSQKE-INIZCTEOSA-N 1 3 368.547 2.056 20 0 FEADHO CCN(CC)[C@H](CNC(=O)NC[C@@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000416832461 559334292 /nfs/dbraw/zinc/33/42/92/559334292.db2.gz BOYAODYUICCEEW-UYAOXDASSA-N 1 3 362.518 2.137 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(OC)c1 ZINC000416919282 559338305 /nfs/dbraw/zinc/33/83/05/559338305.db2.gz JTIPMBGYNZIUFE-NLWGTHIKSA-N 1 3 374.529 2.329 20 0 FEADHO COCCNCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000416973168 559341226 /nfs/dbraw/zinc/34/12/26/559341226.db2.gz JIZGQRHKILLGSV-QGZVFWFLSA-N 1 3 362.518 2.096 20 0 FEADHO COCCNCCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000416973168 559341227 /nfs/dbraw/zinc/34/12/27/559341227.db2.gz JIZGQRHKILLGSV-QGZVFWFLSA-N 1 3 362.518 2.096 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000416975133 559341407 /nfs/dbraw/zinc/34/14/07/559341407.db2.gz MIXDJOSYZQWDKQ-MJGOQNOKSA-N 1 3 356.514 2.210 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000416997421 559342873 /nfs/dbraw/zinc/34/28/73/559342873.db2.gz ADGAMFDIQCBITM-KGLIPLIRSA-N 1 3 360.474 2.427 20 0 FEADHO CC[C@@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000417008356 559343481 /nfs/dbraw/zinc/34/34/81/559343481.db2.gz IMRNXZJHVLGJFW-PZJWPPBQSA-N 1 3 356.514 2.218 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417197777 559352529 /nfs/dbraw/zinc/35/25/29/559352529.db2.gz QISKIJYVGMCUFA-WOJBJXKFSA-N 1 3 358.530 2.333 20 0 FEADHO CN(CCNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)Cc1ccccc1 ZINC000417231111 559354063 /nfs/dbraw/zinc/35/40/63/559354063.db2.gz MHOYXXHDJNYKJG-FQEVSTJZSA-N 1 3 352.482 2.305 20 0 FEADHO CCN(CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000417430295 559361872 /nfs/dbraw/zinc/36/18/72/559361872.db2.gz PDMOTNXCNCMVQJ-CRAIPNDOSA-N 1 3 366.456 2.194 20 0 FEADHO CCCN(C(=O)NCc1ccc(OCCN2CCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000417589057 559368255 /nfs/dbraw/zinc/36/82/55/559368255.db2.gz GGCLWZZSNXRTJF-LJQANCHMSA-N 1 3 374.529 2.445 20 0 FEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CNCCC1(F)F)c1ccccc1 ZINC000417622059 559369487 /nfs/dbraw/zinc/36/94/87/559369487.db2.gz IAQHJPHMGXNKSA-ZFWWWQNUSA-N 1 3 354.445 2.412 20 0 FEADHO COc1cc(NC(=O)N[C@@H](C)CC[NH+](C)C)ccc1OCCN(C)C ZINC000417656866 559370770 /nfs/dbraw/zinc/37/07/70/559370770.db2.gz VJTSCSPZMBHRME-AWEZNQCLSA-N 1 3 352.479 2.097 20 0 FEADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NC[C@H]1CC[NH2+]C1 ZINC000417692025 559372734 /nfs/dbraw/zinc/37/27/34/559372734.db2.gz XTTPIXMRMIJBGD-QFBILLFUSA-N 1 3 358.530 2.368 20 0 FEADHO CN1CCC[C@H](CNC(=O)NCC[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000417749880 559375239 /nfs/dbraw/zinc/37/52/39/559375239.db2.gz VUHMUWLCDIMLQM-HIFRSBDPSA-N 1 3 358.408 2.346 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417822150 559377820 /nfs/dbraw/zinc/37/78/20/559377820.db2.gz JIGXXFZYJARJNB-UXPWSPDFSA-N 1 3 356.514 2.433 20 0 FEADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCOC3(CNC3)C2)c1 ZINC000417866820 559379982 /nfs/dbraw/zinc/37/99/82/559379982.db2.gz AQUJIUGHZZHYTP-UHFFFAOYSA-N 1 3 374.529 2.192 20 0 FEADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCOC3(CNC3)C2)c1 ZINC000417866820 559379983 /nfs/dbraw/zinc/37/99/83/559379983.db2.gz AQUJIUGHZZHYTP-UHFFFAOYSA-N 1 3 374.529 2.192 20 0 FEADHO N[C@@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000417966040 559384305 /nfs/dbraw/zinc/38/43/05/559384305.db2.gz ISYDLQCBBJHMLZ-IBGZPJMESA-N 1 3 353.470 2.297 20 0 FEADHO C[C@]1(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000418044444 559387735 /nfs/dbraw/zinc/38/77/35/559387735.db2.gz MQPPYWNIRARMGQ-SFHLNBCPSA-N 1 3 356.514 2.292 20 0 FEADHO C[C@H]1NCCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]1C ZINC000418104167 559390201 /nfs/dbraw/zinc/39/02/01/559390201.db2.gz JYAGMXMBXNSPTE-HGWMRPEMSA-N 1 3 362.440 2.184 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)NCC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000418180237 559393192 /nfs/dbraw/zinc/39/31/92/559393192.db2.gz JZSSVEUPRXYHMW-QGZVFWFLSA-N 1 3 374.529 2.349 20 0 FEADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)N(C)C)cc1 ZINC000418191169 559393488 /nfs/dbraw/zinc/39/34/88/559393488.db2.gz KLHMPXPKYAVIJC-AQNXPRMDSA-N 1 3 358.530 2.491 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1Cc1ccccc1 ZINC000418188585 559393531 /nfs/dbraw/zinc/39/35/31/559393531.db2.gz GJYHRSLKSWRMJP-RSPOEFSDSA-N 1 3 356.514 2.290 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NC[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418227879 559394599 /nfs/dbraw/zinc/39/45/99/559394599.db2.gz DAEJRUHSTYAVOE-YOEHRIQHSA-N 1 3 350.532 2.310 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000418229267 559394734 /nfs/dbraw/zinc/39/47/34/559394734.db2.gz GOOUERSRTRAJQK-RYRKJORJSA-N 1 3 362.543 2.262 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)N(C)C)cc1 ZINC000418233063 559394911 /nfs/dbraw/zinc/39/49/11/559394911.db2.gz NVRLWOUYDXBFTC-LSDHHAIUSA-N 1 3 372.485 2.308 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000418239102 559395125 /nfs/dbraw/zinc/39/51/25/559395125.db2.gz YHFFGISXJJTYQJ-NVXWUHKLSA-N 1 3 350.532 2.453 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000418240530 559395208 /nfs/dbraw/zinc/39/52/08/559395208.db2.gz ZQZDITKJQVKGBE-JZXOWHBKSA-N 1 3 362.543 2.262 20 0 FEADHO CCC([NH3+])(CC)CNC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418429207 559401290 /nfs/dbraw/zinc/40/12/90/559401290.db2.gz RTGPOGSCKZQZKO-IAGOWNOFSA-N 1 3 368.566 2.425 20 0 FEADHO COc1cnccc1N1CCN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000418486599 559403518 /nfs/dbraw/zinc/40/35/18/559403518.db2.gz INCXDJSEDLQNCK-OAHLLOKOSA-N 1 3 369.469 2.142 20 0 FEADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418551861 559405796 /nfs/dbraw/zinc/40/57/96/559405796.db2.gz QFJJIOSXHGUGRM-GOSISDBHSA-N 1 3 359.518 2.472 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418553407 559406076 /nfs/dbraw/zinc/40/60/76/559406076.db2.gz COMAIPRTIYCNAU-QFUCXCTJSA-N 1 3 356.514 2.292 20 0 FEADHO CN(CCN1CCCC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418574856 559406781 /nfs/dbraw/zinc/40/67/81/559406781.db2.gz WASRHRXXEZVFIJ-CRAIPNDOSA-N 1 3 366.456 2.148 20 0 FEADHO O=C(NCCC1=CC[NH2+]CC1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418604542 559407482 /nfs/dbraw/zinc/40/74/82/559407482.db2.gz RAHZVDIZHOYBQN-SFTDATJTSA-N 1 3 368.525 2.460 20 0 FEADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000418629507 559408534 /nfs/dbraw/zinc/40/85/34/559408534.db2.gz DHISPCGBHMUZCN-YLJYHZDGSA-N 1 3 356.514 2.247 20 0 FEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000418629507 559408535 /nfs/dbraw/zinc/40/85/35/559408535.db2.gz DHISPCGBHMUZCN-YLJYHZDGSA-N 1 3 356.514 2.247 20 0 FEADHO CCCN(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418673589 559410704 /nfs/dbraw/zinc/41/07/04/559410704.db2.gz PGSBHHVJJUYUNN-ZRNYENFQSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCN(C2CCC2)C1 ZINC000418691783 559411496 /nfs/dbraw/zinc/41/14/96/559411496.db2.gz ZEECSFOSEAGHCT-LSTHTHJFSA-N 1 3 356.514 2.258 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418784918 559415890 /nfs/dbraw/zinc/41/58/90/559415890.db2.gz HKCJLBJRQRIWOB-GUDVDZBRSA-N 1 3 359.518 2.205 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418784919 559415959 /nfs/dbraw/zinc/41/59/59/559415959.db2.gz HKCJLBJRQRIWOB-IPMKNSEASA-N 1 3 359.518 2.205 20 0 FEADHO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420313274 559479808 /nfs/dbraw/zinc/47/98/08/559479808.db2.gz XVXNLHXAOKUVME-BDTNDASRSA-N 1 3 356.510 2.436 20 0 FEADHO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420313274 559479809 /nfs/dbraw/zinc/47/98/09/559479809.db2.gz XVXNLHXAOKUVME-BDTNDASRSA-N 1 3 356.510 2.436 20 0 FEADHO CC(C)[C@@H](CO)N(Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420313274 559479810 /nfs/dbraw/zinc/47/98/10/559479810.db2.gz XVXNLHXAOKUVME-BDTNDASRSA-N 1 3 356.510 2.436 20 0 FEADHO Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420345786 559482087 /nfs/dbraw/zinc/48/20/87/559482087.db2.gz WQVFVFLAMIOWNX-IAGOWNOFSA-N 1 3 358.486 2.273 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000420363972 559483310 /nfs/dbraw/zinc/48/33/10/559483310.db2.gz QEVRSVJDBFKQOF-SFTDATJTSA-N 1 3 356.514 2.306 20 0 FEADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(CCCn2ccnc2)CC1 ZINC000420363972 559483311 /nfs/dbraw/zinc/48/33/11/559483311.db2.gz QEVRSVJDBFKQOF-SFTDATJTSA-N 1 3 356.514 2.306 20 0 FEADHO COC(=O)c1cccc(OCCN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420371322 559483741 /nfs/dbraw/zinc/48/37/41/559483741.db2.gz DCJHQNGTGNOLIE-RTBURBONSA-N 1 3 362.470 2.070 20 0 FEADHO CCc1ccc(CCN2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420409844 559486236 /nfs/dbraw/zinc/48/62/36/559486236.db2.gz WGKOOBJJYHSJEG-WOJBJXKFSA-N 1 3 356.514 2.012 20 0 FEADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)C(=O)NCCC(C)C)CC2)CC1 ZINC000420976373 559516323 /nfs/dbraw/zinc/51/63/23/559516323.db2.gz GXAHFYNKLFSZIV-SFHVURJKSA-N 1 3 352.567 2.029 20 0 FEADHO CCN1CCC([N@H+]2CCCN([C@@H](C)C(=O)NCCC(C)C)CC2)CC1 ZINC000420976373 559516324 /nfs/dbraw/zinc/51/63/24/559516324.db2.gz GXAHFYNKLFSZIV-SFHVURJKSA-N 1 3 352.567 2.029 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)NCc3cccc(C)c3)CC2)CC1 ZINC000420980417 559516943 /nfs/dbraw/zinc/51/69/43/559516943.db2.gz LNSSRRSSUSBCDB-UHFFFAOYSA-N 1 3 372.557 2.103 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)NCc3cccc(C)c3)CC2)CC1 ZINC000420980417 559516944 /nfs/dbraw/zinc/51/69/44/559516944.db2.gz LNSSRRSSUSBCDB-UHFFFAOYSA-N 1 3 372.557 2.103 20 0 FEADHO CC[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)CCO1 ZINC000422242235 559572963 /nfs/dbraw/zinc/57/29/63/559572963.db2.gz UAVZCCFUTZXPHU-OKZBNKHCSA-N 1 3 354.539 2.002 20 0 FEADHO CC[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)CCO1 ZINC000422242235 559572964 /nfs/dbraw/zinc/57/29/64/559572964.db2.gz UAVZCCFUTZXPHU-OKZBNKHCSA-N 1 3 354.539 2.002 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CCCCC[C@H]1N ZINC000422737384 559604977 /nfs/dbraw/zinc/60/49/77/559604977.db2.gz HVKHKUPYZRHRPD-MSOLQXFVSA-N 1 3 353.532 2.264 20 0 FEADHO CC(C)CN1CCO[C@H](CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422755332 559605651 /nfs/dbraw/zinc/60/56/51/559605651.db2.gz BFGACWGHRZYAKU-SLYNCCJLSA-N 1 3 359.514 2.189 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000422809465 559607264 /nfs/dbraw/zinc/60/72/64/559607264.db2.gz PVYOAILWDBHXNJ-OYSPMZIOSA-N 1 3 367.921 2.055 20 0 FEADHO CCOC(=O)C1([C@@H](C)N[C@H](COC)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000422920102 559611410 /nfs/dbraw/zinc/61/14/10/559611410.db2.gz LTJRRQSOENWZSY-RHSMWYFYSA-N 1 3 352.450 2.424 20 0 FEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000422952353 559612715 /nfs/dbraw/zinc/61/27/15/559612715.db2.gz AQCABWQDQFUJIW-WFASDCNBSA-N 1 3 354.292 2.157 20 0 FEADHO OC[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Cc1cc(F)c(F)c(F)c1 ZINC000423072112 559617356 /nfs/dbraw/zinc/61/73/56/559617356.db2.gz GTJKTJHPPBZXEC-LBTBCDHLSA-N 1 3 372.431 2.002 20 0 FEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423150356 559620905 /nfs/dbraw/zinc/62/09/05/559620905.db2.gz BSEBNJFSDRBHLT-HEHGZKQESA-N 1 3 359.283 2.456 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423150356 559620906 /nfs/dbraw/zinc/62/09/06/559620906.db2.gz BSEBNJFSDRBHLT-HEHGZKQESA-N 1 3 359.283 2.456 20 0 FEADHO C[C@@H]([NH3+])C[C@H](C)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 ZINC000423154946 559621181 /nfs/dbraw/zinc/62/11/81/559621181.db2.gz PQRLVCOJMZTTKM-MOPGFXCFSA-N 1 3 360.546 2.073 20 0 FEADHO C[C@H](NC[C@@H](CO)Cc1cc(F)cc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000423166070 559621600 /nfs/dbraw/zinc/62/16/00/559621600.db2.gz CDPLJUWFJGRZLW-UBHSHLNASA-N 1 3 359.283 2.327 20 0 FEADHO CC(C)(C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H](N)c1ccccc1 ZINC000423415153 559628470 /nfs/dbraw/zinc/62/84/70/559628470.db2.gz OSQRIOMXPYXXIC-VQIMIIECSA-N 1 3 359.514 2.330 20 0 FEADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(F)c(F)c(F)c1 ZINC000423460466 559629608 /nfs/dbraw/zinc/62/96/08/559629608.db2.gz SBNVIXKDMAIXBL-VDYXNGCNSA-N 1 3 355.404 2.401 20 0 FEADHO CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)ccc1O[C@H](C)C(=O)N(C)C ZINC000424367661 559662053 /nfs/dbraw/zinc/66/20/53/559662053.db2.gz NEGHFVBHNSLSRS-DJIMGWMZSA-N 1 3 363.502 2.300 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000426617173 559738976 /nfs/dbraw/zinc/73/89/76/559738976.db2.gz DLKNCKRVLVHJNZ-ROUUACIJSA-N 1 3 366.550 2.146 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000426617173 559738977 /nfs/dbraw/zinc/73/89/77/559738977.db2.gz DLKNCKRVLVHJNZ-ROUUACIJSA-N 1 3 366.550 2.146 20 0 FEADHO O=C(C[C@H]1CCC[NH2+]CC1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000427268314 559751749 /nfs/dbraw/zinc/75/17/49/559751749.db2.gz ALLHPTBCXLLXSJ-FQEVSTJZSA-N 1 3 372.557 2.485 20 0 FEADHO N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000430680185 559826196 /nfs/dbraw/zinc/82/61/96/559826196.db2.gz OBDWNCMMZXOPBT-HXUWFJFHSA-N 1 3 353.466 2.152 20 0 FEADHO C[NH2+]CC1CCN([C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000430954916 559831422 /nfs/dbraw/zinc/83/14/22/559831422.db2.gz YFCITDRITDOATI-GOSISDBHSA-N 1 3 372.557 2.087 20 0 FEADHO CC(C)Oc1ccc(CCNC(=O)CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431020892 559832623 /nfs/dbraw/zinc/83/26/23/559832623.db2.gz FNJSZRCSKLQQNW-UHFFFAOYSA-N 1 3 359.514 2.208 20 0 FEADHO CC(C)OCc1ccc(CNC(=O)CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431038700 559832842 /nfs/dbraw/zinc/83/28/42/559832842.db2.gz OUVNLKNYBFWNBO-UHFFFAOYSA-N 1 3 359.514 2.303 20 0 FEADHO COCC[C@@]1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[NH2+]C1 ZINC000431056368 559833163 /nfs/dbraw/zinc/83/31/63/559833163.db2.gz CGOONUKBEHJUNX-CTNGQTDRSA-N 1 3 359.514 2.174 20 0 FEADHO COc1cc(CN2CCC[C@](C)(O)C2)cc(C[N@@H+]2CCC[C@](C)(O)C2)c1 ZINC000432783424 559864719 /nfs/dbraw/zinc/86/47/19/559864719.db2.gz ZNSJERUZSIACOB-SFTDATJTSA-N 1 3 362.514 2.389 20 0 FEADHO COc1cc(CN2CCC[C@](C)(O)C2)cc(C[N@H+]2CCC[C@](C)(O)C2)c1 ZINC000432783424 559864720 /nfs/dbraw/zinc/86/47/20/559864720.db2.gz ZNSJERUZSIACOB-SFTDATJTSA-N 1 3 362.514 2.389 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NCCC[N@H+](C)C2CCCCC2)CCCO1 ZINC000433275178 559875560 /nfs/dbraw/zinc/87/55/60/559875560.db2.gz OSAMRQMXJDKWOF-GOSISDBHSA-N 1 3 368.566 2.441 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NCCC[N@@H+](C)C2CCCCC2)CCCO1 ZINC000433275178 559875561 /nfs/dbraw/zinc/87/55/61/559875561.db2.gz OSAMRQMXJDKWOF-GOSISDBHSA-N 1 3 368.566 2.441 20 0 FEADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000433377704 559879023 /nfs/dbraw/zinc/87/90/23/559879023.db2.gz WTKJJSNTHKJDOM-UFYCRDLUSA-N 1 3 356.514 2.407 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC000433451648 559881595 /nfs/dbraw/zinc/88/15/95/559881595.db2.gz RLAMYJJKQAIHOB-ROUUACIJSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC000433451648 559881596 /nfs/dbraw/zinc/88/15/96/559881596.db2.gz RLAMYJJKQAIHOB-ROUUACIJSA-N 1 3 354.539 2.003 20 0 FEADHO C[NH+](C)CCOc1ccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000433552355 559884124 /nfs/dbraw/zinc/88/41/24/559884124.db2.gz CKIDXVUAFCSAQG-LJQANCHMSA-N 1 3 374.529 2.443 20 0 FEADHO Cc1ccc(-c2n[nH]cc2CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)o1 ZINC000435375489 559921602 /nfs/dbraw/zinc/92/16/02/559921602.db2.gz MPPCYBHYGBUXHF-DOTOQJQBSA-N 1 3 371.485 2.058 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000436484364 559942862 /nfs/dbraw/zinc/94/28/62/559942862.db2.gz CQPRRBLCXWICNF-MRXNPFEDSA-N 1 3 350.511 2.078 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000436484364 559942863 /nfs/dbraw/zinc/94/28/63/559942863.db2.gz CQPRRBLCXWICNF-MRXNPFEDSA-N 1 3 350.511 2.078 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437718351 559968416 /nfs/dbraw/zinc/96/84/16/559968416.db2.gz CEYPBTGAYFCWEU-MOPGFXCFSA-N 1 3 366.550 2.194 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437718351 559968417 /nfs/dbraw/zinc/96/84/17/559968417.db2.gz CEYPBTGAYFCWEU-MOPGFXCFSA-N 1 3 366.550 2.194 20 0 FEADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCCN)CC1 ZINC000437785081 559969510 /nfs/dbraw/zinc/96/95/10/559969510.db2.gz KXUVQUDLXJBVDB-UHFFFAOYSA-N 1 3 354.292 2.301 20 0 FEADHO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C[C@H](C)O1 ZINC000438895909 559985383 /nfs/dbraw/zinc/98/53/83/559985383.db2.gz RTIQEVPUMQPFTF-FCEWJHQRSA-N 1 3 372.513 2.043 20 0 FEADHO C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C[C@H](C)O1 ZINC000438895909 559985384 /nfs/dbraw/zinc/98/53/84/559985384.db2.gz RTIQEVPUMQPFTF-FCEWJHQRSA-N 1 3 372.513 2.043 20 0 FEADHO COc1cc(NC(C)=O)ccc1[C@@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000438973775 559986518 /nfs/dbraw/zinc/98/65/18/559986518.db2.gz AMTRBBRFFIEZMW-OAHLLOKOSA-N 1 3 362.518 2.330 20 0 FEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000439263164 559991038 /nfs/dbraw/zinc/99/10/38/559991038.db2.gz WSSQHSFYMXRCHF-AABGKKOBSA-N 1 3 358.530 2.428 20 0 FEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000439263164 559991039 /nfs/dbraw/zinc/99/10/39/559991039.db2.gz WSSQHSFYMXRCHF-AABGKKOBSA-N 1 3 358.530 2.428 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439845126 560000692 /nfs/dbraw/zinc/00/06/92/560000692.db2.gz XGKLDXBNNBBNIC-SFHVURJKSA-N 1 3 351.535 2.399 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439845126 560000693 /nfs/dbraw/zinc/00/06/93/560000693.db2.gz XGKLDXBNNBBNIC-SFHVURJKSA-N 1 3 351.535 2.399 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000440184131 560006326 /nfs/dbraw/zinc/00/63/26/560006326.db2.gz HQXQRKDGTIVJPF-SFHVURJKSA-N 1 3 368.566 2.249 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000440184131 560006327 /nfs/dbraw/zinc/00/63/27/560006327.db2.gz HQXQRKDGTIVJPF-SFHVURJKSA-N 1 3 368.566 2.249 20 0 FEADHO C[NH+](C)CCOc1ccc(CNC(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC000527676724 562299867 /nfs/dbraw/zinc/29/98/67/562299867.db2.gz RNQOHMNAZCZLKW-LJQANCHMSA-N 1 3 374.529 2.443 20 0 FEADHO CCc1ncsc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000444872512 560123348 /nfs/dbraw/zinc/12/33/48/560123348.db2.gz NORKZRKLAXAEBU-UHFFFAOYSA-N 1 3 351.520 2.386 20 0 FEADHO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N(C)CC1([NH+](C)C)CCC1 ZINC000445868566 560135912 /nfs/dbraw/zinc/13/59/12/560135912.db2.gz HXBMNMRMSVBVHL-UYAOXDASSA-N 1 3 372.557 2.182 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446364857 560144857 /nfs/dbraw/zinc/14/48/57/560144857.db2.gz VBAFXHSSJJPTLO-WAOWUJCRSA-N 1 3 365.562 2.393 20 0 FEADHO OC(CN1CCC[C@@H]1C1CCOCC1)C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000447310923 560160033 /nfs/dbraw/zinc/16/00/33/560160033.db2.gz CVZQCFRIELXDFJ-NHCUHLMSSA-N 1 3 366.546 2.129 20 0 FEADHO OC(CN1CCC[C@@H]1C1CCOCC1)C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000447310923 560160034 /nfs/dbraw/zinc/16/00/34/560160034.db2.gz CVZQCFRIELXDFJ-NHCUHLMSSA-N 1 3 366.546 2.129 20 0 FEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000448253486 560181830 /nfs/dbraw/zinc/18/18/30/560181830.db2.gz AXILEAOEVWIODP-SFHVURJKSA-N 1 3 368.566 2.249 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)N2CCC(OC)CC2)[C@@H](C)C1 ZINC000448524657 560188968 /nfs/dbraw/zinc/18/89/68/560188968.db2.gz KEYXLEJRLHDKDI-FUHWJXTLSA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)N2CCC(OC)CC2)[C@@H](C)C1 ZINC000448524657 560188969 /nfs/dbraw/zinc/18/89/69/560188969.db2.gz KEYXLEJRLHDKDI-FUHWJXTLSA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CC12CCSCC2 ZINC000448851984 560202807 /nfs/dbraw/zinc/20/28/07/560202807.db2.gz GVCAXLYXUBVNAS-DLBZAZTESA-N 1 3 353.576 2.394 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CC12CCSCC2 ZINC000448851984 560202808 /nfs/dbraw/zinc/20/28/08/560202808.db2.gz GVCAXLYXUBVNAS-DLBZAZTESA-N 1 3 353.576 2.394 20 0 FEADHO CN(C)CCN1CCC([NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449072351 560214753 /nfs/dbraw/zinc/21/47/53/560214753.db2.gz FHUJQHDWDMRULC-UHFFFAOYSA-N 1 3 359.493 2.342 20 0 FEADHO C[C@@H]1C[C@@H](NC2CC[NH+](CCN3CCOCC3)CC2)c2ccccc2O1 ZINC000449429607 560230112 /nfs/dbraw/zinc/23/01/12/560230112.db2.gz XHNSGZAASRCNLO-YLJYHZDGSA-N 1 3 359.514 2.285 20 0 FEADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000449530202 560232802 /nfs/dbraw/zinc/23/28/02/560232802.db2.gz CSBLPTXMZKEPHY-CZUORRHYSA-N 1 3 357.420 2.451 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)c1ccccc1 ZINC000451425986 560306481 /nfs/dbraw/zinc/30/64/81/560306481.db2.gz VLSQVNUBVNKHET-MTQWCTHYSA-N 1 3 359.514 2.031 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)c1ccccc1 ZINC000451425986 560306482 /nfs/dbraw/zinc/30/64/82/560306482.db2.gz VLSQVNUBVNKHET-MTQWCTHYSA-N 1 3 359.514 2.031 20 0 FEADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(C[C@@H](O)CCC(C)C)C2)CC1 ZINC000451524623 560311874 /nfs/dbraw/zinc/31/18/74/560311874.db2.gz CYSJXXULWWGGCO-UXHICEINSA-N 1 3 353.551 2.050 20 0 FEADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(C[C@@H](O)CCC(C)C)C2)CC1 ZINC000451524623 560311875 /nfs/dbraw/zinc/31/18/75/560311875.db2.gz CYSJXXULWWGGCO-UXHICEINSA-N 1 3 353.551 2.050 20 0 FEADHO COC(=O)[C@@H]1C[N@H+](CCCN2CCN(C(C)C)CC2)C[C@@H]1c1ccccc1 ZINC000451998909 560344066 /nfs/dbraw/zinc/34/40/66/560344066.db2.gz CFMZRFWYEMHFRX-NHCUHLMSSA-N 1 3 373.541 2.291 20 0 FEADHO COC(=O)[C@@H]1C[N@@H+](CCCN2CCN(C(C)C)CC2)C[C@@H]1c1ccccc1 ZINC000451998909 560344067 /nfs/dbraw/zinc/34/40/67/560344067.db2.gz CFMZRFWYEMHFRX-NHCUHLMSSA-N 1 3 373.541 2.291 20 0 FEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000452341840 560358711 /nfs/dbraw/zinc/35/87/11/560358711.db2.gz FVGAJROUNWSFRI-RBUKOAKNSA-N 1 3 353.551 2.406 20 0 FEADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCCN2CCO)cc1 ZINC000452393499 560363207 /nfs/dbraw/zinc/36/32/07/560363207.db2.gz SSODMWDVGSJUCA-FQEVSTJZSA-N 1 3 361.530 2.495 20 0 FEADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCCN2CCO)cc1 ZINC000452393499 560363208 /nfs/dbraw/zinc/36/32/08/560363208.db2.gz SSODMWDVGSJUCA-FQEVSTJZSA-N 1 3 361.530 2.495 20 0 FEADHO C[C@H](NC(=O)Nc1ccnn1CCN(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000455661197 560490971 /nfs/dbraw/zinc/49/09/71/560490971.db2.gz TWDLRSFQIVUNCU-HOTGVXAUSA-N 1 3 362.522 2.219 20 0 FEADHO C[C@H](NC(=O)Nc1ccnn1CCN(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000455661197 560490972 /nfs/dbraw/zinc/49/09/72/560490972.db2.gz TWDLRSFQIVUNCU-HOTGVXAUSA-N 1 3 362.522 2.219 20 0 FEADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)CN1CCN(C)CC1 ZINC000455929189 560500639 /nfs/dbraw/zinc/50/06/39/560500639.db2.gz OKJYQUFMFHQLTJ-OXJNMPFZSA-N 1 3 373.545 2.241 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)CC2)c1 ZINC000457133358 560552057 /nfs/dbraw/zinc/55/20/57/560552057.db2.gz VFSXOMAJQAVDHJ-OAQYLSRUSA-N 1 3 372.557 2.448 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)CC2)c1 ZINC000457133358 560552058 /nfs/dbraw/zinc/55/20/58/560552058.db2.gz VFSXOMAJQAVDHJ-OAQYLSRUSA-N 1 3 372.557 2.448 20 0 FEADHO CCC(CC)[C@H](CNC(=O)NC[C@H]1CCCCN1CCO)[NH+]1CCCC1 ZINC000457615832 560577990 /nfs/dbraw/zinc/57/79/90/560577990.db2.gz NFKJETACPRHZSV-MOPGFXCFSA-N 1 3 368.566 2.033 20 0 FEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000457954978 560596419 /nfs/dbraw/zinc/59/64/19/560596419.db2.gz MOHJKQZVHBRWAH-XMTFNYHQSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000457954978 560596420 /nfs/dbraw/zinc/59/64/20/560596420.db2.gz MOHJKQZVHBRWAH-XMTFNYHQSA-N 1 3 350.551 2.479 20 0 FEADHO CC(C)[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCO1 ZINC000458133228 560604752 /nfs/dbraw/zinc/60/47/52/560604752.db2.gz RJKNMCPOKYQSKH-IBGZPJMESA-N 1 3 366.550 2.002 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000458174411 560607024 /nfs/dbraw/zinc/60/70/24/560607024.db2.gz SIMZHQDDKCJVRI-GOSISDBHSA-N 1 3 358.530 2.290 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000458174411 560607025 /nfs/dbraw/zinc/60/70/25/560607025.db2.gz SIMZHQDDKCJVRI-GOSISDBHSA-N 1 3 358.530 2.290 20 0 FEADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000460468788 560744153 /nfs/dbraw/zinc/74/41/53/560744153.db2.gz NWDFRDIKRZKHNX-GOSISDBHSA-N 1 3 369.598 2.022 20 0 FEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000462007869 560792203 /nfs/dbraw/zinc/79/22/03/560792203.db2.gz HRPDNBYCJCLUFU-PKOBYXMFSA-N 1 3 361.534 2.274 20 0 FEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000462007869 560792204 /nfs/dbraw/zinc/79/22/04/560792204.db2.gz HRPDNBYCJCLUFU-PKOBYXMFSA-N 1 3 361.534 2.274 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC([NH+](C)C)CC3)CC2)c1 ZINC000462012991 560792451 /nfs/dbraw/zinc/79/24/51/560792451.db2.gz JOBKEROXFGVDFL-UHFFFAOYSA-N 1 3 358.530 2.060 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1Cc2ccccc2C1 ZINC000466009347 560878008 /nfs/dbraw/zinc/87/80/08/560878008.db2.gz QRMHSBKKLHVACJ-OAQYLSRUSA-N 1 3 372.557 2.459 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1Cc2ccccc2C1 ZINC000466009347 560878009 /nfs/dbraw/zinc/87/80/09/560878009.db2.gz QRMHSBKKLHVACJ-OAQYLSRUSA-N 1 3 372.557 2.459 20 0 FEADHO CN1CCCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000466076389 560879662 /nfs/dbraw/zinc/87/96/62/560879662.db2.gz IQPDZPVQWDUCOW-DOTOQJQBSA-N 1 3 350.532 2.478 20 0 FEADHO CN1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000466076389 560879663 /nfs/dbraw/zinc/87/96/63/560879663.db2.gz IQPDZPVQWDUCOW-DOTOQJQBSA-N 1 3 350.532 2.478 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCc3ccccc3C2=O)[C@@H](C)C1 ZINC000467401002 560909403 /nfs/dbraw/zinc/90/94/03/560909403.db2.gz NFMGAILHRCEDJZ-RXVVDRJESA-N 1 3 373.541 2.412 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCc3ccccc3C2=O)[C@@H](C)C1 ZINC000467401002 560909404 /nfs/dbraw/zinc/90/94/04/560909404.db2.gz NFMGAILHRCEDJZ-RXVVDRJESA-N 1 3 373.541 2.412 20 0 FEADHO CC[C@@]1(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)CCC[NH2+]1 ZINC000467692719 560915029 /nfs/dbraw/zinc/91/50/29/560915029.db2.gz UQVQVYPWUVXODB-NQIIRXRSSA-N 1 3 372.513 2.324 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)cc2)CC1 ZINC000467715059 560915737 /nfs/dbraw/zinc/91/57/37/560915737.db2.gz LFJWDIIITMFTQK-JXFKEZNVSA-N 1 3 356.514 2.041 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)cc2)CC1 ZINC000467715059 560915738 /nfs/dbraw/zinc/91/57/38/560915738.db2.gz LFJWDIIITMFTQK-JXFKEZNVSA-N 1 3 356.514 2.041 20 0 FEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000468482751 560931114 /nfs/dbraw/zinc/93/11/14/560931114.db2.gz GICASXARIONETD-SFHLNBCPSA-N 1 3 372.557 2.354 20 0 FEADHO CC[N@@H+]1CC[C@@H](NCCN2CCN(C(=O)C3CCCCC3)CC2)[C@H](C)C1 ZINC000468910583 560942160 /nfs/dbraw/zinc/94/21/60/560942160.db2.gz HRQMKKUKLBDRQH-UYAOXDASSA-N 1 3 364.578 2.031 20 0 FEADHO CC[N@H+]1CC[C@@H](NCCN2CCN(C(=O)C3CCCCC3)CC2)[C@H](C)C1 ZINC000468910583 560942161 /nfs/dbraw/zinc/94/21/61/560942161.db2.gz HRQMKKUKLBDRQH-UYAOXDASSA-N 1 3 364.578 2.031 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000469729713 560963049 /nfs/dbraw/zinc/96/30/49/560963049.db2.gz SOBNYEKTOGSCCO-PZJWPPBQSA-N 1 3 372.557 2.387 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000469729713 560963050 /nfs/dbraw/zinc/96/30/50/560963050.db2.gz SOBNYEKTOGSCCO-PZJWPPBQSA-N 1 3 372.557 2.387 20 0 FEADHO Cc1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1Oc1cccnc1 ZINC000469993908 560971060 /nfs/dbraw/zinc/97/10/60/560971060.db2.gz VNQOVTHPAMLFFZ-SFHVURJKSA-N 1 3 368.481 2.469 20 0 FEADHO CC(C)OCC[C@@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000472174085 561020382 /nfs/dbraw/zinc/02/03/82/561020382.db2.gz PZIIIPXXZASZMI-WSTZPKSXSA-N 1 3 356.551 2.374 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000472182466 561020499 /nfs/dbraw/zinc/02/04/99/561020499.db2.gz NJZJJOMGIIGHDO-RTBURBONSA-N 1 3 353.551 2.456 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000472958709 561038752 /nfs/dbraw/zinc/03/87/52/561038752.db2.gz HPYNQKPEPHGKLG-GBESFXJTSA-N 1 3 368.566 2.392 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)N(C)CC2 ZINC000475913460 561107794 /nfs/dbraw/zinc/10/77/94/561107794.db2.gz WXYOXZBMVJLYPQ-LJQANCHMSA-N 1 3 358.530 2.167 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)N(C)CC2 ZINC000475913460 561107795 /nfs/dbraw/zinc/10/77/95/561107795.db2.gz WXYOXZBMVJLYPQ-LJQANCHMSA-N 1 3 358.530 2.167 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)N2CCCC2)cc1 ZINC000529280416 562367033 /nfs/dbraw/zinc/36/70/33/562367033.db2.gz CXGZRNZFYRKICZ-OALUTQOASA-N 1 3 372.513 2.416 20 0 FEADHO CC(C)[C@@H]1CNCCN1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000529318318 562368991 /nfs/dbraw/zinc/36/89/91/562368991.db2.gz SIKAXUJZXCOKMU-APWZRJJASA-N 1 3 359.518 2.246 20 0 FEADHO CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)C1CCN(CCc2ccccn2)CC1 ZINC000529367638 562371352 /nfs/dbraw/zinc/37/13/52/562371352.db2.gz RVCBCYHCBGJIGJ-IBGZPJMESA-N 1 3 371.529 2.015 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000530024307 562394716 /nfs/dbraw/zinc/39/47/16/562394716.db2.gz LBCNKCGGIKHBJV-QUCCMNQESA-N 1 3 356.514 2.427 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000530024307 562394717 /nfs/dbraw/zinc/39/47/17/562394717.db2.gz LBCNKCGGIKHBJV-QUCCMNQESA-N 1 3 356.514 2.427 20 0 FEADHO C[C@@H]1CCC[C@@](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000531046317 562432934 /nfs/dbraw/zinc/43/29/34/562432934.db2.gz JTOZTQXXHYOEDR-QIJUGHKUSA-N 1 3 373.541 2.250 20 0 FEADHO CCN1CCN(CCCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000531940648 562462322 /nfs/dbraw/zinc/46/23/22/562462322.db2.gz FQOAIALDYPBIRR-UHFFFAOYSA-N 1 3 351.457 2.230 20 0 FEADHO CN(C)CCOc1ccccc1C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532221828 562470842 /nfs/dbraw/zinc/47/08/42/562470842.db2.gz LXAIHUYIDCBTFN-UHFFFAOYSA-N 1 3 355.486 2.176 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1N(C)C ZINC000535539767 562560753 /nfs/dbraw/zinc/56/07/53/562560753.db2.gz WSUNGRVEOSNJGZ-GBESFXJTSA-N 1 3 361.555 2.403 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1N(C)C ZINC000535539767 562560754 /nfs/dbraw/zinc/56/07/54/562560754.db2.gz WSUNGRVEOSNJGZ-GBESFXJTSA-N 1 3 361.555 2.403 20 0 FEADHO Cc1nn(C)c(N2CCOCC2)c1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000535813130 562568568 /nfs/dbraw/zinc/56/85/68/562568568.db2.gz GYUOPKGOVCVYHX-UHFFFAOYSA-N 1 3 363.550 2.117 20 0 FEADHO Cc1nn(C)c(N2CCOCC2)c1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535813130 562568569 /nfs/dbraw/zinc/56/85/69/562568569.db2.gz GYUOPKGOVCVYHX-UHFFFAOYSA-N 1 3 363.550 2.117 20 0 FEADHO CC[NH+]1CCC(n2nccc2NC(=O)CCN(C)c2ccncc2)CC1 ZINC000540927282 562597169 /nfs/dbraw/zinc/59/71/69/562597169.db2.gz BOKNUCWMCHYGKL-UHFFFAOYSA-N 1 3 356.474 2.400 20 0 FEADHO COc1cccc(C[C@H](C)[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)n1 ZINC000541208574 562605853 /nfs/dbraw/zinc/60/58/53/562605853.db2.gz JNOICDSZFCDWOP-INIZCTEOSA-N 1 3 370.497 2.102 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)NC[C@@H](CC)[NH+]2CCCC2)CC1 ZINC000541209281 562606025 /nfs/dbraw/zinc/60/60/25/562606025.db2.gz HVQVMQQZVKTRBH-SJLPKXTDSA-N 1 3 367.534 2.031 20 0 FEADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000563090631 568069942 /nfs/dbraw/zinc/06/99/42/568069942.db2.gz SLWRQOHKBLIPOU-UXHICEINSA-N 1 3 372.557 2.340 20 0 FEADHO CCN(CC)[C@@H](C(=O)NCCCN1CCC[N@H+](C)CC1)c1ccccc1 ZINC000603811301 568143833 /nfs/dbraw/zinc/14/38/33/568143833.db2.gz QAOVORMMORBICH-HXUWFJFHSA-N 1 3 360.546 2.213 20 0 FEADHO CCN(CC)[C@@H](C(=O)NCCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000603811301 568143834 /nfs/dbraw/zinc/14/38/34/568143834.db2.gz QAOVORMMORBICH-HXUWFJFHSA-N 1 3 360.546 2.213 20 0 FEADHO CCN(CC)[C@@H](C(=O)NCCC[N@@H+]1CCCN(C)CC1)c1ccccc1 ZINC000603811301 568143836 /nfs/dbraw/zinc/14/38/36/568143836.db2.gz QAOVORMMORBICH-HXUWFJFHSA-N 1 3 360.546 2.213 20 0 FEADHO CCN(CC)[C@@H](C(=O)NCCC[N@H+]1CCCN(C)CC1)c1ccccc1 ZINC000603811301 568143837 /nfs/dbraw/zinc/14/38/37/568143837.db2.gz QAOVORMMORBICH-HXUWFJFHSA-N 1 3 360.546 2.213 20 0 FEADHO CN(C)CCOC1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000604158857 568218149 /nfs/dbraw/zinc/21/81/49/568218149.db2.gz UZDLHJUOHFJSSM-UHFFFAOYSA-N 1 3 368.566 2.393 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@H]2CCN(C3CC3)C2)[C@@H](C)C1 ZINC000604666667 568342886 /nfs/dbraw/zinc/34/28/86/568342886.db2.gz XQVVKVVSOANKIM-WDSOQIARSA-N 1 3 366.550 2.002 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)[C@H]2CCN(C3CC3)C2)[C@@H](C)C1 ZINC000604666667 568342887 /nfs/dbraw/zinc/34/28/87/568342887.db2.gz XQVVKVVSOANKIM-WDSOQIARSA-N 1 3 366.550 2.002 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CO)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000557276732 674443927 /nfs/dbraw/zinc/44/39/27/674443927.db2.gz MQYUXPVGXAAVCP-VDGAXYAQSA-N 1 3 352.494 2.456 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CO)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000557276732 674443928 /nfs/dbraw/zinc/44/39/28/674443928.db2.gz MQYUXPVGXAAVCP-VDGAXYAQSA-N 1 3 352.494 2.456 20 0 FEADHO CCC(CC)[C@H](O)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000557597899 674456572 /nfs/dbraw/zinc/45/65/72/674456572.db2.gz YJHIOWHMEDSADP-LJQANCHMSA-N 1 3 353.551 2.096 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C[C@@H]3CCCO3)CC2)CC1 ZINC000564098722 674973308 /nfs/dbraw/zinc/97/33/08/674973308.db2.gz XJPWGHUKHRXIJE-LPHOPBHVSA-N 1 3 351.535 2.257 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCCN1CCc2ccccc2C1 ZINC000046103123 670213836 /nfs/dbraw/zinc/21/38/36/670213836.db2.gz PRMQHLFLWGPPBZ-IBGZPJMESA-N 1 3 360.571 2.383 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=S)NCCCN1CCc2ccccc2C1 ZINC000046103123 670213840 /nfs/dbraw/zinc/21/38/40/670213840.db2.gz PRMQHLFLWGPPBZ-IBGZPJMESA-N 1 3 360.571 2.383 20 0 FEADHO [NH3+]C[C@@H]1CC[C@H](N[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000571157203 670825625 /nfs/dbraw/zinc/82/56/25/670825625.db2.gz QPBVKBRTCJLTTR-OSMZGAPFSA-N 1 3 373.316 2.385 20 0 FEADHO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccnn2CCN(C)C)CC1 ZINC000574851976 671281240 /nfs/dbraw/zinc/28/12/40/671281240.db2.gz AYBPHDTVUNARDN-UHFFFAOYSA-N 1 3 350.511 2.029 20 0 FEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccnn2CCN(C)C)CC1 ZINC000574851976 671281242 /nfs/dbraw/zinc/28/12/42/671281242.db2.gz AYBPHDTVUNARDN-UHFFFAOYSA-N 1 3 350.511 2.029 20 0 FEADHO CC[C@@H]1C[C@@H](NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCO1 ZINC000579732456 671756974 /nfs/dbraw/zinc/75/69/74/671756974.db2.gz UZSRYPSAAKKGEY-PKOBYXMFSA-N 1 3 351.535 2.257 20 0 FEADHO Clc1cc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000581878611 671944931 /nfs/dbraw/zinc/94/49/31/671944931.db2.gz SMSGNZFLZZMNAW-BHYGNILZSA-N 1 3 366.889 2.400 20 0 FEADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCO1 ZINC000581893579 671947484 /nfs/dbraw/zinc/94/74/84/671947484.db2.gz VSYAIOUGZAMEMO-OALUTQOASA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)COc2ccc(Cl)cc2)CCCO1 ZINC000582900451 672044899 /nfs/dbraw/zinc/04/48/99/672044899.db2.gz OGJJKQZURKVDOF-WBVHZDCISA-N 1 3 356.894 2.170 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)COc2ccc(Cl)cc2)CCCO1 ZINC000582900451 672044901 /nfs/dbraw/zinc/04/49/01/672044901.db2.gz OGJJKQZURKVDOF-WBVHZDCISA-N 1 3 356.894 2.170 20 0 FEADHO COCCC[NH+]1CCC(NC[C@H](O)COc2c(C)cccc2C)CC1 ZINC000584405481 672184932 /nfs/dbraw/zinc/18/49/32/672184932.db2.gz JOSYHCHHXKXCQC-IBGZPJMESA-N 1 3 350.503 2.134 20 0 FEADHO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCCN1CCCC1 ZINC000184847680 672508914 /nfs/dbraw/zinc/50/89/14/672508914.db2.gz LNGGIYJYZIBARI-SJORKVTESA-N 1 3 355.523 2.476 20 0 FEADHO CN1CCC(NC(=S)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000732624820 673375659 /nfs/dbraw/zinc/37/56/59/673375659.db2.gz YEPPEBFYFHRYGO-UHFFFAOYSA-N 1 3 370.632 2.296 20 0 FEADHO C[C@@H]1CN(CCOC2CC[NH+](CCN3CCCCC3)CC2)C[C@@H](C)O1 ZINC000540248734 673531320 /nfs/dbraw/zinc/53/13/20/673531320.db2.gz UXMRBRKGOUCZMU-RTBURBONSA-N 1 3 353.551 2.063 20 0 FEADHO C[C@H]1CC[N@H+](CCNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000745180502 673828363 /nfs/dbraw/zinc/82/83/63/673828363.db2.gz DPJHGMVPADKMKP-KRWDZBQOSA-N 1 3 360.571 2.457 20 0 FEADHO C[C@H]1CC[N@@H+](CCNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000745180502 673828367 /nfs/dbraw/zinc/82/83/67/673828367.db2.gz DPJHGMVPADKMKP-KRWDZBQOSA-N 1 3 360.571 2.457 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000547737903 673884659 /nfs/dbraw/zinc/88/46/59/673884659.db2.gz XCLWEZZILAAEGW-QGZVFWFLSA-N 1 3 351.535 2.353 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547737903 673884664 /nfs/dbraw/zinc/88/46/64/673884664.db2.gz XCLWEZZILAAEGW-QGZVFWFLSA-N 1 3 351.535 2.353 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000566551444 675223620 /nfs/dbraw/zinc/22/36/20/675223620.db2.gz BSRSARHVJZSCAO-WPPJOMGTSA-N 1 3 362.440 2.089 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000819181826 675267326 /nfs/dbraw/zinc/26/73/26/675267326.db2.gz BPJFHAOVQWHFIK-SJORKVTESA-N 1 3 357.539 2.172 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000819181826 675267329 /nfs/dbraw/zinc/26/73/29/675267329.db2.gz BPJFHAOVQWHFIK-SJORKVTESA-N 1 3 357.539 2.172 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000819182825 675267605 /nfs/dbraw/zinc/26/76/05/675267605.db2.gz QVYBGRRDVPWAJM-VQIMIIECSA-N 1 3 357.539 2.220 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000819182825 675267607 /nfs/dbraw/zinc/26/76/07/675267607.db2.gz QVYBGRRDVPWAJM-VQIMIIECSA-N 1 3 357.539 2.220 20 0 FEADHO CO[C@@H](C[NH3+])C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000567227609 675276863 /nfs/dbraw/zinc/27/68/63/675276863.db2.gz SKZSAHIETKJVGR-INIZCTEOSA-N 1 3 374.312 2.392 20 0 FEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000568339697 675366721 /nfs/dbraw/zinc/36/67/21/675366721.db2.gz CPTVHZPIECNHRZ-IAGOWNOFSA-N 1 3 354.539 2.002 20 0 FEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000568339697 675366723 /nfs/dbraw/zinc/36/67/23/675366723.db2.gz CPTVHZPIECNHRZ-IAGOWNOFSA-N 1 3 354.539 2.002 20 0 FEADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000605555047 675818766 /nfs/dbraw/zinc/81/87/66/675818766.db2.gz VXZJMLIJBXKLSW-OAHLLOKOSA-N 1 3 365.905 2.251 20 0 FEADHO C[N@H+]1CC[C@@H](C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000605555047 675818769 /nfs/dbraw/zinc/81/87/69/675818769.db2.gz VXZJMLIJBXKLSW-OAHLLOKOSA-N 1 3 365.905 2.251 20 0 FEADHO C[C@@H](NC(=O)NCC1(N2CCSCC2)CCCC1)C1CC[NH+](C)CC1 ZINC000606643470 675837358 /nfs/dbraw/zinc/83/73/58/675837358.db2.gz NIIMGSJCRDSDTD-MRXNPFEDSA-N 1 3 368.591 2.378 20 0 FEADHO CCc1c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cnn1C(C)(C)C ZINC000617505235 676288705 /nfs/dbraw/zinc/28/87/05/676288705.db2.gz YNQGJAKJKGDTAM-HNNXBMFYSA-N 1 3 351.539 2.202 20 0 FEADHO CCc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cnn1C(C)(C)C ZINC000617505235 676288707 /nfs/dbraw/zinc/28/87/07/676288707.db2.gz YNQGJAKJKGDTAM-HNNXBMFYSA-N 1 3 351.539 2.202 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000617505412 676288909 /nfs/dbraw/zinc/28/89/09/676288909.db2.gz BNQMAHYLJFLMPS-LXZKKBNFSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000617505412 676288910 /nfs/dbraw/zinc/28/89/10/676288910.db2.gz BNQMAHYLJFLMPS-LXZKKBNFSA-N 1 3 353.457 2.457 20 0 FEADHO Cc1c(Cl)cccc1OCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506022 676289588 /nfs/dbraw/zinc/28/95/88/676289588.db2.gz YCLHJYZFVYXPSJ-AWEZNQCLSA-N 1 3 355.910 2.415 20 0 FEADHO Cc1c(Cl)cccc1OCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506022 676289590 /nfs/dbraw/zinc/28/95/90/676289590.db2.gz YCLHJYZFVYXPSJ-AWEZNQCLSA-N 1 3 355.910 2.415 20 0 FEADHO CC1CCN([C@@H](CNC(=O)N(C)CCOCC[NH3+])c2cccs2)CC1 ZINC000626921843 676728794 /nfs/dbraw/zinc/72/87/94/676728794.db2.gz KJIPRCOQNPFPQY-INIZCTEOSA-N 1 3 368.547 2.138 20 0 FEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627023004 676735269 /nfs/dbraw/zinc/73/52/69/676735269.db2.gz HQIYSZKZEAIRSA-IHRRRGAJSA-N 1 3 364.456 2.276 20 0 FEADHO C[NH2+]CCOCCN[C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000629528789 676858346 /nfs/dbraw/zinc/85/83/46/676858346.db2.gz JEGGHIJZXVODAS-OAHLLOKOSA-N 1 3 354.516 2.290 20 0 FEADHO O[C@@H](C[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)CN1CCCC1 ZINC000629565538 676860003 /nfs/dbraw/zinc/86/00/03/676860003.db2.gz KHCWGPNGWCIYBQ-WBVHZDCISA-N 1 3 357.420 2.330 20 0 FEADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000631063082 676931477 /nfs/dbraw/zinc/93/14/77/676931477.db2.gz AKVACKLUOSLJAR-INIZCTEOSA-N 1 3 357.420 2.468 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](n2cncn2)C(F)(F)F)[C@@H](C)C1 ZINC000631688802 676951935 /nfs/dbraw/zinc/95/19/35/676951935.db2.gz WIBWBQRNVWFSQI-SOUVJXGZSA-N 1 3 363.428 2.108 20 0 FEADHO C[NH+](C)CCOc1cccc(CNCc2cccn(C(F)F)c2=O)c1 ZINC000638382517 677144256 /nfs/dbraw/zinc/14/42/56/677144256.db2.gz WPKNMYGPRXZYSK-UHFFFAOYSA-N 1 3 351.397 2.474 20 0 FEADHO Cc1ccc(Cl)c(OC[C@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000644632308 677247055 /nfs/dbraw/zinc/24/70/55/677247055.db2.gz WVNWFNJRLIJSJO-IAGOWNOFSA-N 1 3 370.921 2.479 20 0 FEADHO Cc1ccc(Cl)c(OC[C@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000644632308 677247056 /nfs/dbraw/zinc/24/70/56/677247056.db2.gz WVNWFNJRLIJSJO-IAGOWNOFSA-N 1 3 370.921 2.479 20 0 FEADHO C[C@H]1C[C@@H](NC(=S)NCC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000760497556 680690212 /nfs/dbraw/zinc/69/02/12/680690212.db2.gz ULEFXHMBVYQJTR-QFBILLFUSA-N 1 3 360.571 2.455 20 0 FEADHO C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345783 677480503 /nfs/dbraw/zinc/48/05/03/677480503.db2.gz LXCPSHZAKBNWIM-BVBHFADKSA-N 1 3 351.535 2.290 20 0 FEADHO C[C@H](C(=O)NCCc1cccs1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346928 677480694 /nfs/dbraw/zinc/48/06/94/677480694.db2.gz LMTVMLWTPVPLBX-MUQADHOPSA-N 1 3 365.543 2.014 20 0 FEADHO CC1CCC(N(C)C(=O)CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652346639 677480733 /nfs/dbraw/zinc/48/07/33/677480733.db2.gz CFPVXKOAQUVGGT-ASGJETJBSA-N 1 3 351.535 2.242 20 0 FEADHO C[C@H](C(=O)NCCc1cccs1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346925 677480761 /nfs/dbraw/zinc/48/07/61/677480761.db2.gz LMTVMLWTPVPLBX-CVYDXHPNSA-N 1 3 365.543 2.014 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)[C@@H]3CCCCO3)CC2)CC1 ZINC000654985594 677616347 /nfs/dbraw/zinc/61/63/47/677616347.db2.gz AVHCCAQZOQTGSG-LPHOPBHVSA-N 1 3 351.535 2.257 20 0 FEADHO CCS(=O)(=O)C1(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000658300677 678071029 /nfs/dbraw/zinc/07/10/29/678071029.db2.gz VILUUCYTNCMZEP-OAHLLOKOSA-N 1 3 354.516 2.245 20 0 FEADHO C[NH+]1CCC2(CC1)CN(C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)CCO2 ZINC000660907083 678404485 /nfs/dbraw/zinc/40/44/85/678404485.db2.gz WJUZIWHHUZWBID-KRWDZBQOSA-N 1 3 351.535 2.068 20 0 FEADHO CN(C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000662252463 678596597 /nfs/dbraw/zinc/59/65/97/678596597.db2.gz OJBSBYZONCJUMK-UVBJJODRSA-N 1 3 357.281 2.404 20 0 FEADHO Brc1cccc2c1OCC[C@H]2NC[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662281163 678600460 /nfs/dbraw/zinc/60/04/60/678600460.db2.gz JDSIESFZBNRGOY-BXUZGUMPSA-N 1 3 353.260 2.383 20 0 FEADHO C[NH+](C)CCOc1ccc(CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000662391027 678615302 /nfs/dbraw/zinc/61/53/02/678615302.db2.gz UGYNZBVOXAKOOY-UHFFFAOYSA-N 1 3 359.495 2.264 20 0 FEADHO CC1CCN([C@H](CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])c2cccs2)CC1 ZINC000662662874 678648402 /nfs/dbraw/zinc/64/84/02/678648402.db2.gz KFQZJCVKMKKXDL-ARFHVFGLSA-N 1 3 351.516 2.001 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nc2c(s1)CCCC2 ZINC000664314354 678860448 /nfs/dbraw/zinc/86/04/48/678860448.db2.gz HVJATWYXCIFXEQ-ZDUSSCGKSA-N 1 3 353.536 2.415 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nc2c(s1)CCCC2 ZINC000664314354 678860451 /nfs/dbraw/zinc/86/04/51/678860451.db2.gz HVJATWYXCIFXEQ-ZDUSSCGKSA-N 1 3 353.536 2.415 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000664551175 678894387 /nfs/dbraw/zinc/89/43/87/678894387.db2.gz JCIZXWVXAJFSHO-ULQDDVLXSA-N 1 3 356.555 2.151 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000664551175 678894390 /nfs/dbraw/zinc/89/43/90/678894390.db2.gz JCIZXWVXAJFSHO-ULQDDVLXSA-N 1 3 356.555 2.151 20 0 FEADHO CO[C@@]1(C(F)(F)F)CCCN(CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000669693484 679249281 /nfs/dbraw/zinc/24/92/81/679249281.db2.gz OFZRGGILRXOYJV-INIZCTEOSA-N 1 3 351.457 2.446 20 0 FEADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000673882498 679452401 /nfs/dbraw/zinc/45/24/01/679452401.db2.gz NCFPFKBGTKMDLL-SFHVURJKSA-N 1 3 354.539 2.048 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(CCc2ccns2)CC3)CC[N@@H+]1C ZINC000990791926 680074445 /nfs/dbraw/zinc/07/44/45/680074445.db2.gz PNDITJZRWCWOKE-MYZZLAAOSA-N 1 3 362.543 2.139 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(CCc2ccns2)CC3)CC[N@H+]1C ZINC000990791926 680074451 /nfs/dbraw/zinc/07/44/51/680074451.db2.gz PNDITJZRWCWOKE-MYZZLAAOSA-N 1 3 362.543 2.139 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4ccc(Cl)cc4)C[C@H]32)CC[N@@H+]1C ZINC000978164042 680170140 /nfs/dbraw/zinc/17/01/40/680170140.db2.gz DHGRWHKRNSZRTA-PYJZQUQOSA-N 1 3 361.917 2.474 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4ccc(Cl)cc4)C[C@H]32)CC[N@H+]1C ZINC000978164042 680170142 /nfs/dbraw/zinc/17/01/42/680170142.db2.gz DHGRWHKRNSZRTA-PYJZQUQOSA-N 1 3 361.917 2.474 20 0 FEADHO COc1cc(Cl)ccc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001022103510 680196263 /nfs/dbraw/zinc/19/62/63/680196263.db2.gz IDUWUUONWZWLQD-VDNDLQMASA-N 1 3 365.905 2.426 20 0 FEADHO COc1cc(Cl)ccc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001022103510 680196265 /nfs/dbraw/zinc/19/62/65/680196265.db2.gz IDUWUUONWZWLQD-VDNDLQMASA-N 1 3 365.905 2.426 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCN2CCOC2CCC2)CC[N@@H+]1C ZINC001024448152 680290373 /nfs/dbraw/zinc/29/03/73/680290373.db2.gz DMUBZCUIMMWEHB-NZSAHSFTSA-N 1 3 351.535 2.257 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCN2CCOC2CCC2)CC[N@H+]1C ZINC001024448152 680290375 /nfs/dbraw/zinc/29/03/75/680290375.db2.gz DMUBZCUIMMWEHB-NZSAHSFTSA-N 1 3 351.535 2.257 20 0 FEADHO Cc1nc(CCN(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001027417445 680357160 /nfs/dbraw/zinc/35/71/60/680357160.db2.gz YSURUUCBPPMSFX-FHLIZLRMSA-N 1 3 364.559 2.257 20 0 FEADHO Cc1nc(CCN(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001027417445 680357162 /nfs/dbraw/zinc/35/71/62/680357162.db2.gz YSURUUCBPPMSFX-FHLIZLRMSA-N 1 3 364.559 2.257 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3sc(C)nc3C)C2)CC[N@@H+]1C ZINC001028551617 680376178 /nfs/dbraw/zinc/37/61/78/680376178.db2.gz SWAAURLVHGACIT-YESZJQIVSA-N 1 3 364.559 2.428 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3sc(C)nc3C)C2)CC[N@H+]1C ZINC001028551617 680376181 /nfs/dbraw/zinc/37/61/81/680376181.db2.gz SWAAURLVHGACIT-YESZJQIVSA-N 1 3 364.559 2.428 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cnc(C)s3)C2)CC[N@@H+]1C ZINC000999203276 680398729 /nfs/dbraw/zinc/39/87/29/680398729.db2.gz ZYUIFVBIQYMIJJ-BHYGNILZSA-N 1 3 350.532 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cnc(C)s3)C2)CC[N@H+]1C ZINC000999203276 680398736 /nfs/dbraw/zinc/39/87/36/680398736.db2.gz ZYUIFVBIQYMIJJ-BHYGNILZSA-N 1 3 350.532 2.262 20 0 FEADHO CN(C)[C@H](CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000874429633 685387641 /nfs/dbraw/zinc/38/76/41/685387641.db2.gz LZRCSQMKQBUWTQ-RBSFLKMASA-N 1 3 358.408 2.068 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNCc3cscn3)CC2)CC[N@@H+]1C ZINC001050328188 681045461 /nfs/dbraw/zinc/04/54/61/681045461.db2.gz IDCMERKLNDRUNI-KCYZZUKISA-N 1 3 350.532 2.248 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNCc3cscn3)CC2)CC[N@H+]1C ZINC001050328188 681045463 /nfs/dbraw/zinc/04/54/63/681045463.db2.gz IDCMERKLNDRUNI-KCYZZUKISA-N 1 3 350.532 2.248 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNCc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001051624517 681068174 /nfs/dbraw/zinc/06/81/74/681068174.db2.gz QSPPSRBMVIIQRG-VNHYZAJKSA-N 1 3 371.934 2.059 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNCc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001051624517 681068176 /nfs/dbraw/zinc/06/81/76/681068176.db2.gz QSPPSRBMVIIQRG-VNHYZAJKSA-N 1 3 371.934 2.059 20 0 FEADHO CC(C)N1CCN(CCC[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)CC1 ZINC000933447037 681414682 /nfs/dbraw/zinc/41/46/82/681414682.db2.gz URZBTKFXJGIQIA-HXUWFJFHSA-N 1 3 351.510 2.125 20 0 FEADHO C[C@](O)(CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000848535455 681573440 /nfs/dbraw/zinc/57/34/40/681573440.db2.gz ZXTWKXAQUVMXLA-APWZRJJASA-N 1 3 354.441 2.405 20 0 FEADHO CO[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000849099101 681653083 /nfs/dbraw/zinc/65/30/83/681653083.db2.gz JHFPZJBNCMQPAB-HNNXBMFYSA-N 1 3 358.408 2.342 20 0 FEADHO CSCC1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000915500491 685515712 /nfs/dbraw/zinc/51/57/12/685515712.db2.gz MBAYKQHZJLRPEQ-UHFFFAOYSA-N 1 3 368.591 2.330 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCc3csc(C)n3)C2)CC[N@@H+]1C ZINC000971566621 682361299 /nfs/dbraw/zinc/36/12/99/682361299.db2.gz HWQPDXALOXCDNN-FGTMMUONSA-N 1 3 364.559 2.257 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCc3csc(C)n3)C2)CC[N@H+]1C ZINC000971566621 682361301 /nfs/dbraw/zinc/36/13/01/682361301.db2.gz HWQPDXALOXCDNN-FGTMMUONSA-N 1 3 364.559 2.257 20 0 FEADHO CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000919143354 685544796 /nfs/dbraw/zinc/54/47/96/685544796.db2.gz HPABEKHKYCEHLT-IBGZPJMESA-N 1 3 371.591 2.102 20 0 FEADHO CSC[C@H](O)C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603908 682794215 /nfs/dbraw/zinc/79/42/15/682794215.db2.gz HAWGYCWGUPXDRS-AEFFLSMTSA-N 1 3 353.532 2.099 20 0 FEADHO CSC[C@H](O)C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603908 682794216 /nfs/dbraw/zinc/79/42/16/682794216.db2.gz HAWGYCWGUPXDRS-AEFFLSMTSA-N 1 3 353.532 2.099 20 0 FEADHO CC[C@H](C)CC[C@H](O)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000793299952 682879115 /nfs/dbraw/zinc/87/91/15/682879115.db2.gz SLBFPYOAKMWGBY-LPHOPBHVSA-N 1 3 353.551 2.239 20 0 FEADHO C[C@H]1C[NH+](CCCCNCc2cn(C)nc2Br)C[C@H](C)O1 ZINC000858140408 682938001 /nfs/dbraw/zinc/93/80/01/682938001.db2.gz DCHNDECZSVUGLV-STQMWFEESA-N 1 3 359.312 2.162 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=S)NC1CCN(C)CC1)Cc1ccccc1 ZINC000920310454 683333361 /nfs/dbraw/zinc/33/33/61/683333361.db2.gz YMXWHGUXJNCYIU-IBGZPJMESA-N 1 3 362.587 2.498 20 0 FEADHO C[C@@H](C[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000799726183 683488692 /nfs/dbraw/zinc/48/86/92/683488692.db2.gz MDLBDGMZUBFLCA-HOTGVXAUSA-N 1 3 356.555 2.294 20 0 FEADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(C(F)(F)F)nn1C)C2 ZINC000922390751 683712509 /nfs/dbraw/zinc/71/25/09/683712509.db2.gz OLUNNBJPTDEHNR-RRCSTGOVSA-N 1 3 360.424 2.008 20 0 FEADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(C(F)(F)F)nn1C)C2 ZINC000922390751 683712512 /nfs/dbraw/zinc/71/25/12/683712512.db2.gz OLUNNBJPTDEHNR-RRCSTGOVSA-N 1 3 360.424 2.008 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(C[C@](O)(CC)C(F)(F)F)CC2)CC1 ZINC000930752035 683780044 /nfs/dbraw/zinc/78/00/44/683780044.db2.gz RBXPFEDWVQYBRX-MRXNPFEDSA-N 1 3 351.457 2.182 20 0 FEADHO CCN1CCC([N@H+]2CCCN(C[C@](O)(CC)C(F)(F)F)CC2)CC1 ZINC000930752035 683780050 /nfs/dbraw/zinc/78/00/50/683780050.db2.gz RBXPFEDWVQYBRX-MRXNPFEDSA-N 1 3 351.457 2.182 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3c(Cl)n[nH]c3C3CC3)CC2)CC1 ZINC000865064352 683930233 /nfs/dbraw/zinc/93/02/33/683930233.db2.gz RKJVOBWLKUPLFB-UHFFFAOYSA-N 1 3 365.909 2.229 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC(C)(C)OC1(C)C ZINC000923199274 684239630 /nfs/dbraw/zinc/23/96/30/684239630.db2.gz PBSVZUFPGNEWMV-HOTGVXAUSA-N 1 3 356.555 2.151 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC(C)(C)OC1(C)C ZINC000923199274 684239632 /nfs/dbraw/zinc/23/96/32/684239632.db2.gz PBSVZUFPGNEWMV-HOTGVXAUSA-N 1 3 356.555 2.151 20 0 FEADHO CC(C)[C@@](C)(C[NH3+])NC[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923295711 684258509 /nfs/dbraw/zinc/25/85/09/684258509.db2.gz FLCFVCFIPVBFPT-DZGCQCFKSA-N 1 3 363.271 2.291 20 0 FEADHO CC(C)([NH3+])CCN[C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000925736841 684580233 /nfs/dbraw/zinc/58/02/33/684580233.db2.gz CXGSQZRCEKKADL-KRWDZBQOSA-N 1 3 366.937 2.295 20 0 FEADHO O=C(NC[C@H]1NCCc2ccccc21)c1csc(C2CC[NH2+]CC2)n1 ZINC000870943591 684774154 /nfs/dbraw/zinc/77/41/54/684774154.db2.gz PUOINMGAPPJZBT-MRXNPFEDSA-N 1 3 356.495 2.227 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@](C)(C(F)(F)F)C1 ZINC000875714563 686069600 /nfs/dbraw/zinc/06/96/00/686069600.db2.gz WMNKNUIOVKKBRN-DZGCQCFKSA-N 1 3 352.445 2.242 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@](C)(C(F)(F)F)C1 ZINC000875714563 686069610 /nfs/dbraw/zinc/06/96/10/686069610.db2.gz WMNKNUIOVKKBRN-DZGCQCFKSA-N 1 3 352.445 2.242 20 0 FEADHO CC(C)([NH3+])CCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000891863701 689119053 /nfs/dbraw/zinc/11/90/53/689119053.db2.gz AJLDLXYNXSEASE-UHFFFAOYSA-N 1 3 350.429 2.218 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC2CC(S(C)(=O)=O)C2)cc1 ZINC000892600780 689217130 /nfs/dbraw/zinc/21/71/30/689217130.db2.gz VXCPWIPKBASAGO-UHFFFAOYSA-N 1 3 354.516 2.072 20 0 FEADHO COC(=O)c1ccc(C[NH2+]CC2(O)CCN(C)CC2)c(C(F)(F)F)c1 ZINC000894303006 689503839 /nfs/dbraw/zinc/50/38/39/689503839.db2.gz FWUNMIXAEHZHBU-UHFFFAOYSA-N 1 3 360.376 2.038 20 0 FEADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000896838069 689937223 /nfs/dbraw/zinc/93/72/23/689937223.db2.gz MXALMSZYVWRJLQ-MJGOQNOKSA-N 1 3 365.543 2.288 20 0 FEADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000896838068 689937354 /nfs/dbraw/zinc/93/73/54/689937354.db2.gz MXALMSZYVWRJLQ-IEBWSBKVSA-N 1 3 365.543 2.288 20 0 FEADHO Brc1ccc2c(c1)[C@@H](NC[C@H]1CCC3(C[NH2+]C3)O1)CCO2 ZINC000903566001 690925433 /nfs/dbraw/zinc/92/54/33/690925433.db2.gz XAVOTRIBLNENST-OCCSQVGLSA-N 1 3 353.260 2.383 20 0 FEADHO O=C(NC1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)c1ccsc1 ZINC000903726248 690967399 /nfs/dbraw/zinc/96/73/99/690967399.db2.gz LHWKSPUYLDXCSA-QGZVFWFLSA-N 1 3 363.527 2.101 20 0 FEADHO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C[C@H](N)CC(F)F)cc2)C[C@H](C)O1 ZINC000903924317 690986508 /nfs/dbraw/zinc/98/65/08/690986508.db2.gz CNPZBRDPBFVFPU-DVOMOZLQSA-N 1 3 355.429 2.008 20 0 FEADHO C[C@](O)(C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C(F)F ZINC000905051934 691061761 /nfs/dbraw/zinc/06/17/61/691061761.db2.gz JTFOHTCFROQDQP-IBGZPJMESA-N 1 3 355.473 2.190 20 0 FEADHO CC[C@@](O)(CNCc1ccc(C[NH+]2CCC(O)CC2)cc1)C(F)(F)F ZINC000905113619 691070298 /nfs/dbraw/zinc/07/02/98/691070298.db2.gz IIFCKXXDDZHMAK-QGZVFWFLSA-N 1 3 360.420 2.436 20 0 FEADHO c1cn(-c2cc[nH+]c(N3CCc4ncc(CN5CCCC5)n4CC3)c2)cn1 ZINC001164736526 720588647 /nfs/dbraw/zinc/58/86/47/720588647.db2.gz MSACOPFTJHKHPW-UHFFFAOYSA-N 1 3 363.469 2.122 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)NCc2ccc(OCCN(C)C)cc2)CC1 ZINC000043179167 540092865 /nfs/dbraw/zinc/09/28/65/540092865.db2.gz ZOZVMLPGRIEODS-UHFFFAOYSA-N 1 3 362.518 2.299 20 0 FEADHO C[C@@H]1CCCCN1CCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000045794127 540227959 /nfs/dbraw/zinc/22/79/59/540227959.db2.gz IHZYAJDLLVVBSH-QGZVFWFLSA-N 1 3 362.518 2.301 20 0 FEADHO CN(C)CCn1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000061634830 541135716 /nfs/dbraw/zinc/13/57/16/541135716.db2.gz JGJRVWPIBHYVMN-UHFFFAOYSA-N 1 3 355.486 2.295 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000067452516 541466328 /nfs/dbraw/zinc/46/63/28/541466328.db2.gz RWGAWLKSOXEXNG-IYBDPMFKSA-N 1 3 354.516 2.069 20 0 FEADHO CC(C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)S(C)(=O)=O ZINC000069019016 541648882 /nfs/dbraw/zinc/64/88/82/541648882.db2.gz AUWSPSMQGHFHOK-HNNXBMFYSA-N 1 3 352.500 2.112 20 0 FEADHO CCNC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCN(CC)C2)cc1OC ZINC000069160421 541664670 /nfs/dbraw/zinc/66/46/70/541664670.db2.gz MAGOOZXRGSSKIR-KRWDZBQOSA-N 1 3 363.502 2.032 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000074272306 542062487 /nfs/dbraw/zinc/06/24/87/542062487.db2.gz CDAGLLOJYZMUCF-ZSYWTGECSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ncc(C)s1 ZINC000074758155 542117489 /nfs/dbraw/zinc/11/74/89/542117489.db2.gz UWNNJXMNDQJATF-HNNXBMFYSA-N 1 3 353.536 2.009 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ncc(C)s1 ZINC000074758155 542117493 /nfs/dbraw/zinc/11/74/93/542117493.db2.gz UWNNJXMNDQJATF-HNNXBMFYSA-N 1 3 353.536 2.009 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC[C@@H]1OC ZINC000074759550 542117931 /nfs/dbraw/zinc/11/79/31/542117931.db2.gz RVYOAZXAPSFGAS-KURKYZTESA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC[C@@H]1OC ZINC000074759550 542117935 /nfs/dbraw/zinc/11/79/35/542117935.db2.gz RVYOAZXAPSFGAS-KURKYZTESA-N 1 3 354.539 2.002 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000074862530 542130249 /nfs/dbraw/zinc/13/02/49/542130249.db2.gz XQVIKWPFNNWSTR-HXUWFJFHSA-N 1 3 373.545 2.419 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000074862530 542130253 /nfs/dbraw/zinc/13/02/53/542130253.db2.gz XQVIKWPFNNWSTR-HXUWFJFHSA-N 1 3 373.545 2.419 20 0 FEADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000076981207 542338007 /nfs/dbraw/zinc/33/80/07/542338007.db2.gz OTUVNEOEIAZYHW-HXUWFJFHSA-N 1 3 356.514 2.388 20 0 FEADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000076981207 542338010 /nfs/dbraw/zinc/33/80/10/542338010.db2.gz OTUVNEOEIAZYHW-HXUWFJFHSA-N 1 3 356.514 2.388 20 0 FEADHO CCCN1CCCN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000077575318 542399110 /nfs/dbraw/zinc/39/91/10/542399110.db2.gz KJMQBPZNWNEQSZ-UHFFFAOYSA-N 1 3 362.518 2.254 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000077774505 542419865 /nfs/dbraw/zinc/41/98/65/542419865.db2.gz JSPWDWAMSJHALO-HXUWFJFHSA-N 1 3 356.514 2.315 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000077774505 542419867 /nfs/dbraw/zinc/41/98/67/542419867.db2.gz JSPWDWAMSJHALO-HXUWFJFHSA-N 1 3 356.514 2.315 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079732890 542539233 /nfs/dbraw/zinc/53/92/33/542539233.db2.gz OBPQBNMPMOFYBY-WOJBJXKFSA-N 1 3 358.530 2.429 20 0 FEADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000081726854 542674000 /nfs/dbraw/zinc/67/40/00/542674000.db2.gz SCDDEUZHGDJHGC-WOJBJXKFSA-N 1 3 371.525 2.134 20 0 FEADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081726854 542674004 /nfs/dbraw/zinc/67/40/04/542674004.db2.gz SCDDEUZHGDJHGC-WOJBJXKFSA-N 1 3 371.525 2.134 20 0 FEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000091743695 542822735 /nfs/dbraw/zinc/82/27/35/542822735.db2.gz RDKYXXFWRKKVFJ-SFHVURJKSA-N 1 3 359.518 2.329 20 0 FEADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000091743695 542822736 /nfs/dbraw/zinc/82/27/36/542822736.db2.gz RDKYXXFWRKKVFJ-SFHVURJKSA-N 1 3 359.518 2.329 20 0 FEADHO CC[C@@H](CO)N1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000093740127 542939412 /nfs/dbraw/zinc/93/94/12/542939412.db2.gz UPHKQRIZGZHJPR-FQEVSTJZSA-N 1 3 374.573 2.106 20 0 FEADHO Cc1ccc(-c2nc(CC(=O)N(CCN(C)C)CC[NH+](C)C)cs2)o1 ZINC000103212917 543097211 /nfs/dbraw/zinc/09/72/11/543097211.db2.gz AUEIHXMDUXVMOJ-UHFFFAOYSA-N 1 3 364.515 2.206 20 0 FEADHO CC(C)c1nn(C)c(N2CCOCC2)c1CNCCC1CC[NH+](C)CC1 ZINC000105454175 543173835 /nfs/dbraw/zinc/17/38/35/543173835.db2.gz IRGANBXYLJTPJF-UHFFFAOYSA-N 1 3 363.550 2.202 20 0 FEADHO COc1cc(CNCCN2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000106958890 543257926 /nfs/dbraw/zinc/25/79/26/543257926.db2.gz FUXXNVYQZPCFBA-UHFFFAOYSA-N 1 3 355.482 2.269 20 0 FEADHO C[C@@H]1CCC[C@@H](OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000112632639 543454474 /nfs/dbraw/zinc/45/44/74/543454474.db2.gz WEKWTFXDIHTVKP-VQIMIIECSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H]1CCCC[C@@H]1OCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000112886935 543466113 /nfs/dbraw/zinc/46/61/13/543466113.db2.gz MLYJLBAORYPQFL-APWZRJJASA-N 1 3 351.535 2.257 20 0 FEADHO CN(CCN1CCCC1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000112748731 543462987 /nfs/dbraw/zinc/46/29/87/543462987.db2.gz PEKOAQHXPGPBCM-HXUWFJFHSA-N 1 3 358.530 2.288 20 0 FEADHO CN(CCN1CCCC1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000112748731 543462988 /nfs/dbraw/zinc/46/29/88/543462988.db2.gz PEKOAQHXPGPBCM-HXUWFJFHSA-N 1 3 358.530 2.288 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1)C1CC1 ZINC000114379307 543511752 /nfs/dbraw/zinc/51/17/52/543511752.db2.gz CWTKIOVLJIFCIT-GOSISDBHSA-N 1 3 372.557 2.284 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1)C1CC1 ZINC000114379307 543511755 /nfs/dbraw/zinc/51/17/55/543511755.db2.gz CWTKIOVLJIFCIT-GOSISDBHSA-N 1 3 372.557 2.284 20 0 FEADHO COc1ccc([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cc1Cl ZINC000114501965 543521847 /nfs/dbraw/zinc/52/18/47/543521847.db2.gz SBDPQXBENFMKIF-INIZCTEOSA-N 1 3 369.937 2.389 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCN2CCC(C)CC2)[C@H](C)C1 ZINC000115797376 543586388 /nfs/dbraw/zinc/58/63/88/543586388.db2.gz FEVHCSVGFJTVIQ-RTBURBONSA-N 1 3 368.566 2.155 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCN2CCC(C)CC2)[C@H](C)C1 ZINC000115797376 543586389 /nfs/dbraw/zinc/58/63/89/543586389.db2.gz FEVHCSVGFJTVIQ-RTBURBONSA-N 1 3 368.566 2.155 20 0 FEADHO CN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000124279490 543810960 /nfs/dbraw/zinc/81/09/60/543810960.db2.gz YSCZTTWPCHJOTK-UHFFFAOYSA-N 1 3 372.513 2.165 20 0 FEADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1nccs1 ZINC000125674531 543895333 /nfs/dbraw/zinc/89/53/33/543895333.db2.gz RIVSOJOIGMNCIZ-INIZCTEOSA-N 1 3 365.547 2.452 20 0 FEADHO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126750613 543954434 /nfs/dbraw/zinc/95/44/34/543954434.db2.gz JEEQKCJEXOUNJO-HXUWFJFHSA-N 1 3 353.514 2.335 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1nc(C)ccc1OC ZINC000128056011 544030217 /nfs/dbraw/zinc/03/02/17/544030217.db2.gz XNTMJEZSYVRHMX-MRXNPFEDSA-N 1 3 363.506 2.278 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1nc(C)ccc1OC ZINC000128056011 544030219 /nfs/dbraw/zinc/03/02/19/544030219.db2.gz XNTMJEZSYVRHMX-MRXNPFEDSA-N 1 3 363.506 2.278 20 0 FEADHO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128237743 544040737 /nfs/dbraw/zinc/04/07/37/544040737.db2.gz DAWSYTBDCWTQJJ-INIZCTEOSA-N 1 3 350.482 2.160 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc4c3CCCN4)CC2)CC1 ZINC000130595688 544157382 /nfs/dbraw/zinc/15/73/82/544157382.db2.gz FFZBLKJTFMTFLW-UHFFFAOYSA-N 1 3 356.514 2.333 20 0 FEADHO c1ccc(CC[NH+]2CCC(NC[C@H]3COC4(CCOCC4)O3)CC2)cc1 ZINC000133226599 544261025 /nfs/dbraw/zinc/26/10/25/544261025.db2.gz NKTIMBUUHCAJRM-FQEVSTJZSA-N 1 3 360.498 2.205 20 0 FEADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)c1cccc(OC)c1 ZINC000133400349 544268222 /nfs/dbraw/zinc/26/82/22/544268222.db2.gz URGPUYQARJDGBA-SJLPKXTDSA-N 1 3 365.543 2.289 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4ccsc4C3)CC2)CC1 ZINC000134110965 544294741 /nfs/dbraw/zinc/29/47/41/544294741.db2.gz IZLADSJYECGTHA-UHFFFAOYSA-N 1 3 362.543 2.374 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000137178059 544385847 /nfs/dbraw/zinc/38/58/47/544385847.db2.gz MXGIBHOZGSSRHS-UFYCRDLUSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000137178059 544385849 /nfs/dbraw/zinc/38/58/49/544385849.db2.gz MXGIBHOZGSSRHS-UFYCRDLUSA-N 1 3 358.530 2.285 20 0 FEADHO C[C@@H](C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)CN1CCOCC1 ZINC000150961513 544490848 /nfs/dbraw/zinc/49/08/48/544490848.db2.gz HYGYGOKONNPRIQ-IBGZPJMESA-N 1 3 374.573 2.275 20 0 FEADHO CS[C@H](CO)[C@@H](C)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150964792 544491209 /nfs/dbraw/zinc/49/12/09/544491209.db2.gz MHGVTEIBYHOHJJ-DNVCBOLYSA-N 1 3 351.560 2.419 20 0 FEADHO C[N@H+](CC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@@H]1CCCCNC1=O ZINC000153550500 544790245 /nfs/dbraw/zinc/79/02/45/544790245.db2.gz WDIAYIAECHXALF-WOJBJXKFSA-N 1 3 359.514 2.033 20 0 FEADHO C[N@@H+](CC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@@H]1CCCCNC1=O ZINC000153550500 544790249 /nfs/dbraw/zinc/79/02/49/544790249.db2.gz WDIAYIAECHXALF-WOJBJXKFSA-N 1 3 359.514 2.033 20 0 FEADHO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@@H]1CCCCNC1=O ZINC000153550500 544790251 /nfs/dbraw/zinc/79/02/51/544790251.db2.gz WDIAYIAECHXALF-WOJBJXKFSA-N 1 3 359.514 2.033 20 0 FEADHO CC(C)CC[C@@](C)(O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000154330943 544892420 /nfs/dbraw/zinc/89/24/20/544892420.db2.gz CTNQEXCSFGCHKT-HXUWFJFHSA-N 1 3 368.566 2.031 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000154838655 544955876 /nfs/dbraw/zinc/95/58/76/544955876.db2.gz WBPZIZJTKVPQNF-QFIPXVFZSA-N 1 3 372.557 2.185 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000154838655 544955882 /nfs/dbraw/zinc/95/58/82/544955882.db2.gz WBPZIZJTKVPQNF-QFIPXVFZSA-N 1 3 372.557 2.185 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000154951556 544969561 /nfs/dbraw/zinc/96/95/61/544969561.db2.gz GFPLZOWRXKDKBE-QGZVFWFLSA-N 1 3 362.518 2.264 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000154951556 544969564 /nfs/dbraw/zinc/96/95/64/544969564.db2.gz GFPLZOWRXKDKBE-QGZVFWFLSA-N 1 3 362.518 2.264 20 0 FEADHO CCCCCN(CCO)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553212348 674245450 /nfs/dbraw/zinc/24/54/50/674245450.db2.gz WOBOOHSDASEERY-UHFFFAOYSA-N 1 3 353.551 2.194 20 0 FEADHO C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1cccc(OCC[NH+](C)C)c1 ZINC000179977550 327666682 /nfs/dbraw/zinc/66/66/82/327666682.db2.gz SGRLOLBHKHBBKZ-VQIMIIECSA-N 1 3 364.486 2.200 20 0 FEADHO CN(C)CCOc1cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)ccn1 ZINC000183224615 327807671 /nfs/dbraw/zinc/80/76/71/327807671.db2.gz YAUYKGWSMKUQDR-UHFFFAOYSA-N 1 3 360.502 2.159 20 0 FEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000186087386 327946282 /nfs/dbraw/zinc/94/62/82/327946282.db2.gz IOIIJRORYXFTNI-ROUUACIJSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCS(=O)(=O)CC1 ZINC000187315401 328016054 /nfs/dbraw/zinc/01/60/54/328016054.db2.gz XEIXVFBBQDGWTR-HNNXBMFYSA-N 1 3 351.516 2.101 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1(C)C ZINC000188041157 328062154 /nfs/dbraw/zinc/06/21/54/328062154.db2.gz OOEZFVXJQAKQNJ-WIYYLYMNSA-N 1 3 359.514 2.431 20 0 FEADHO O=C(NCC[NH+]1CCCCC1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192279632 328310612 /nfs/dbraw/zinc/31/06/12/328310612.db2.gz SYAMGDYDEDTNLD-FQEVSTJZSA-N 1 3 374.529 2.063 20 0 FEADHO COC(=O)C1CCC([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000192441988 328319082 /nfs/dbraw/zinc/31/90/82/328319082.db2.gz ZHIACNLHGVKECP-UHFFFAOYSA-N 1 3 360.498 2.465 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)c(C)c2)CC1 ZINC000236868298 328496777 /nfs/dbraw/zinc/49/67/77/328496777.db2.gz VAEXYHRAKUXVFW-SFHVURJKSA-N 1 3 356.514 2.465 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000091232417 325381388 /nfs/dbraw/zinc/38/13/88/325381388.db2.gz XETGXDTVVRJUOO-IBGZPJMESA-N 1 3 357.502 2.178 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000107388821 325627140 /nfs/dbraw/zinc/62/71/40/325627140.db2.gz XLMCASOQZMBBTH-UHFFFAOYSA-N 1 3 369.513 2.417 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)[C@H](C)C1 ZINC000119842022 326204310 /nfs/dbraw/zinc/20/43/10/326204310.db2.gz PCGHAFIOZQZXIT-APWZRJJASA-N 1 3 374.529 2.184 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)[C@H](C)C1 ZINC000119842022 326204311 /nfs/dbraw/zinc/20/43/11/326204311.db2.gz PCGHAFIOZQZXIT-APWZRJJASA-N 1 3 374.529 2.184 20 0 FEADHO COc1ccc(-c2cncc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2)cc1 ZINC000135375210 326640197 /nfs/dbraw/zinc/64/01/97/326640197.db2.gz ZSNHQIHERAVTSG-UHFFFAOYSA-N 1 3 370.497 2.323 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000154314865 326756812 /nfs/dbraw/zinc/75/68/12/326756812.db2.gz MSUYHRJQSBNHEN-GOSISDBHSA-N 1 3 358.530 2.492 20 0 FEADHO COc1ccc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1NC(C)=O ZINC000154412860 326759359 /nfs/dbraw/zinc/75/93/59/326759359.db2.gz DSUJNFVMCXLCCS-MRXNPFEDSA-N 1 3 362.518 2.332 20 0 FEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000162025826 327014781 /nfs/dbraw/zinc/01/47/81/327014781.db2.gz NNZZSEWWASOLLM-QWFCFKBJSA-N 1 3 361.530 2.216 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000162490057 327026978 /nfs/dbraw/zinc/02/69/78/327026978.db2.gz ITBSPDKWVZOJJG-WOJBJXKFSA-N 1 3 360.546 2.436 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000162490057 327026979 /nfs/dbraw/zinc/02/69/79/327026979.db2.gz ITBSPDKWVZOJJG-WOJBJXKFSA-N 1 3 360.546 2.436 20 0 FEADHO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168894561 327087851 /nfs/dbraw/zinc/08/78/51/327087851.db2.gz QGULQHBMUUKOCD-LAUBAEHRSA-N 1 3 363.521 2.429 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000168889706 327087904 /nfs/dbraw/zinc/08/79/04/327087904.db2.gz HJBCHODGFWAPPB-SFHVURJKSA-N 1 3 367.534 2.342 20 0 FEADHO CC(C)[NH2+]CCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000169210632 327088108 /nfs/dbraw/zinc/08/81/08/327088108.db2.gz SRKQASQQRCIHBB-SFHVURJKSA-N 1 3 360.502 2.179 20 0 FEADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000173740634 327280171 /nfs/dbraw/zinc/28/01/71/327280171.db2.gz APUATVIIFRBADB-OAQYLSRUSA-N 1 3 368.525 2.349 20 0 FEADHO CC(C)[C@@H](CNC(=O)Nc1ccn(CCN(C)C)n1)[NH+]1CCC(C)CC1 ZINC000173936700 327295891 /nfs/dbraw/zinc/29/58/91/327295891.db2.gz STTWISHXBDMPOU-QGZVFWFLSA-N 1 3 364.538 2.323 20 0 FEADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173953736 327297466 /nfs/dbraw/zinc/29/74/66/327297466.db2.gz RLLGBLUNXMBLRU-HOTGVXAUSA-N 1 3 364.538 2.323 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000174015367 327301589 /nfs/dbraw/zinc/30/15/89/327301589.db2.gz AUAHIWUJWYPKDB-QGZVFWFLSA-N 1 3 368.591 2.474 20 0 FEADHO CSc1ccccc1NC(=O)[C@@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174713630 327345007 /nfs/dbraw/zinc/34/50/07/327345007.db2.gz NMEAPEKPIPZFMK-MRXNPFEDSA-N 1 3 364.559 2.305 20 0 FEADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262704114 328882351 /nfs/dbraw/zinc/88/23/51/328882351.db2.gz CUSVQPNKRBAJHC-QUCCMNQESA-N 1 3 367.497 2.375 20 0 FEADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266853410 329265950 /nfs/dbraw/zinc/26/59/50/329265950.db2.gz SMEFQSKALVQIFN-UXHICEINSA-N 1 3 356.514 2.388 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000268097664 329384701 /nfs/dbraw/zinc/38/47/01/329384701.db2.gz DDUPRAVJKBLYPL-UZLBHIALSA-N 1 3 374.529 2.299 20 0 FEADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000269094718 329485253 /nfs/dbraw/zinc/48/52/53/329485253.db2.gz RKIYMLYXFQNLQK-GOEBONIOSA-N 1 3 372.531 2.106 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C[C@@H]3CNCCO3)cc2)C1 ZINC000269236172 329499312 /nfs/dbraw/zinc/49/93/12/329499312.db2.gz NCMJGEHHZCDRCE-MBOZVWFJSA-N 1 3 359.514 2.159 20 0 FEADHO Cc1cccc(N2CC[NH+](CCCCNCN3CCC(=O)CC3)CC2)c1 ZINC000273119794 329838559 /nfs/dbraw/zinc/83/85/59/329838559.db2.gz SIXYSHJNGCYTPN-UHFFFAOYSA-N 1 3 358.530 2.109 20 0 FEADHO CC(C)[C@H](CCO)[NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000274139706 329919324 /nfs/dbraw/zinc/91/93/24/329919324.db2.gz ZHKAVQVFZBLJCC-PXNSSMCTSA-N 1 3 361.530 2.152 20 0 FEADHO COCCOCCOCCC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000274701828 329972388 /nfs/dbraw/zinc/97/23/88/329972388.db2.gz YFEDZZBEKFHCFQ-SFHVURJKSA-N 1 3 368.518 2.347 20 0 FEADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(OCCO)CCOCC2)CC1 ZINC000367091995 330216084 /nfs/dbraw/zinc/21/60/84/330216084.db2.gz MTUKNXXZILLEAQ-MJGOQNOKSA-N 1 3 354.535 2.177 20 0 FEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(OCCO)CCOCC2)CC1 ZINC000367091995 330216085 /nfs/dbraw/zinc/21/60/85/330216085.db2.gz MTUKNXXZILLEAQ-MJGOQNOKSA-N 1 3 354.535 2.177 20 0 FEADHO C[NH+](C)CC1(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCC1 ZINC000367194011 330228288 /nfs/dbraw/zinc/22/82/88/330228288.db2.gz IQXYFECISOVOFX-LJQANCHMSA-N 1 3 374.529 2.061 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000156636895 545641249 /nfs/dbraw/zinc/64/12/49/545641249.db2.gz RAMJDTLWUFCCIN-YYWHXJBOSA-N 1 3 371.525 2.267 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000156636895 545641253 /nfs/dbraw/zinc/64/12/53/545641253.db2.gz RAMJDTLWUFCCIN-YYWHXJBOSA-N 1 3 371.525 2.267 20 0 FEADHO COCCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000158901838 545904682 /nfs/dbraw/zinc/90/46/82/545904682.db2.gz CVQFSIHBBDIJKE-IEBWSBKVSA-N 1 3 350.503 2.455 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000159157981 545926850 /nfs/dbraw/zinc/92/68/50/545926850.db2.gz ULDZUFQMVYWCIT-LPHOPBHVSA-N 1 3 359.518 2.391 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000159157981 545926854 /nfs/dbraw/zinc/92/68/54/545926854.db2.gz ULDZUFQMVYWCIT-LPHOPBHVSA-N 1 3 359.518 2.391 20 0 FEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000478831084 561175857 /nfs/dbraw/zinc/17/58/57/561175857.db2.gz DPIVBJJVKAQAQG-SFHVURJKSA-N 1 3 362.518 2.301 20 0 FEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000478831084 561175858 /nfs/dbraw/zinc/17/58/58/561175858.db2.gz DPIVBJJVKAQAQG-SFHVURJKSA-N 1 3 362.518 2.301 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000175754346 546344009 /nfs/dbraw/zinc/34/40/09/546344009.db2.gz ONWUEWYLZDGAKL-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO COC(C)(C)C[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176381679 546438649 /nfs/dbraw/zinc/43/86/49/546438649.db2.gz NLVHYCOCXHMPBH-HNNXBMFYSA-N 1 3 354.539 2.048 20 0 FEADHO CN(CCCOc1ccc2c(c1)OCO2)CC[N@H+](C)C1CCN(C)CC1 ZINC000177381503 546606025 /nfs/dbraw/zinc/60/60/25/546606025.db2.gz OHZXTLHITHKVIU-UHFFFAOYSA-N 1 3 363.502 2.142 20 0 FEADHO CN(CCCOc1ccc2c(c1)OCO2)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177381503 546606028 /nfs/dbraw/zinc/60/60/28/546606028.db2.gz OHZXTLHITHKVIU-UHFFFAOYSA-N 1 3 363.502 2.142 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1cc(C)ccc1F ZINC000481297028 561229944 /nfs/dbraw/zinc/22/99/44/561229944.db2.gz VYIPKGDWNVUVSI-KRWDZBQOSA-N 1 3 365.493 2.387 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1cc(C)ccc1F ZINC000481297028 561229945 /nfs/dbraw/zinc/22/99/45/561229945.db2.gz VYIPKGDWNVUVSI-KRWDZBQOSA-N 1 3 365.493 2.387 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[C@@H](C)O1 ZINC000178034508 546727191 /nfs/dbraw/zinc/72/71/91/546727191.db2.gz JVHXJZDTMWYGGC-IAGOWNOFSA-N 1 3 363.502 2.363 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC([C@H](C)[NH3+])CC3)CC2)c1 ZINC000178849704 546861180 /nfs/dbraw/zinc/86/11/80/546861180.db2.gz XVUSYPKTLHRHQQ-SFHVURJKSA-N 1 3 358.530 2.093 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000181669763 547356941 /nfs/dbraw/zinc/35/69/41/547356941.db2.gz QHUROSIKMXMCSZ-QRVBRYPASA-N 1 3 359.514 2.271 20 0 FEADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182901895 547569386 /nfs/dbraw/zinc/56/93/86/547569386.db2.gz QPTRMNCPDQWYOY-FPOVZHCZSA-N 1 3 372.557 2.102 20 0 FEADHO CN(C)CCOc1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)ccn1 ZINC000183106517 547603609 /nfs/dbraw/zinc/60/36/09/547603609.db2.gz IKQIMJCNIPCIBV-UHFFFAOYSA-N 1 3 356.470 2.014 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000184602400 547852505 /nfs/dbraw/zinc/85/25/05/547852505.db2.gz QFDUNTKTILRVMO-HOJAQTOUSA-N 1 3 360.546 2.068 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000184602400 547852507 /nfs/dbraw/zinc/85/25/07/547852507.db2.gz QFDUNTKTILRVMO-HOJAQTOUSA-N 1 3 360.546 2.068 20 0 FEADHO COCCO[C@@H]1COCC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000485686149 561325732 /nfs/dbraw/zinc/32/57/32/561325732.db2.gz IRBCXCHYJFWNQN-FRYIKTPZSA-N 1 3 354.535 2.440 20 0 FEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000186087446 548083302 /nfs/dbraw/zinc/08/33/02/548083302.db2.gz IOIIJRORYXFTNI-QZTJIDSGSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@@H](NC(C)(C)CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000485823835 561329085 /nfs/dbraw/zinc/32/90/85/561329085.db2.gz ZYOODSIEHCKOSS-NVXWUHKLSA-N 1 3 370.501 2.062 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)NCc2ccccc2OCCN(C)C)CC1 ZINC000195193161 548594460 /nfs/dbraw/zinc/59/44/60/548594460.db2.gz JYWHBCYMZCDACT-UHFFFAOYSA-N 1 3 362.518 2.299 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc4c3OCCO4)CC2)CC1 ZINC000195344156 548628509 /nfs/dbraw/zinc/62/85/09/548628509.db2.gz YGODJEOTJVQGQA-UHFFFAOYSA-N 1 3 374.485 2.138 20 0 FEADHO CCCN(C(=O)CCN1CCN(c2cccc(C)c2)CC1)C1CC[NH2+]CC1 ZINC000236781242 548779442 /nfs/dbraw/zinc/77/94/42/548779442.db2.gz XMKUWAHGURFFBK-UHFFFAOYSA-N 1 3 372.557 2.498 20 0 FEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000245586177 548952300 /nfs/dbraw/zinc/95/23/00/548952300.db2.gz AJTKXBLLQBAQQR-WOJBJXKFSA-N 1 3 358.530 2.335 20 0 FEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000245586177 548952305 /nfs/dbraw/zinc/95/23/05/548952305.db2.gz AJTKXBLLQBAQQR-WOJBJXKFSA-N 1 3 358.530 2.335 20 0 FEADHO CCN1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000245586173 548952578 /nfs/dbraw/zinc/95/25/78/548952578.db2.gz AJTKXBLLQBAQQR-UXHICEINSA-N 1 3 358.530 2.335 20 0 FEADHO CCN1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000245586173 548952581 /nfs/dbraw/zinc/95/25/81/548952581.db2.gz AJTKXBLLQBAQQR-UXHICEINSA-N 1 3 358.530 2.335 20 0 FEADHO C[C@@H](CN1CCN(C)CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245781548 548993293 /nfs/dbraw/zinc/99/32/93/548993293.db2.gz YYOJAPVFGZVPEM-UVUJQTEASA-N 1 3 356.558 2.408 20 0 FEADHO C[C@@H](CN1CCN(C)CC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245781548 548993296 /nfs/dbraw/zinc/99/32/96/548993296.db2.gz YYOJAPVFGZVPEM-UVUJQTEASA-N 1 3 356.558 2.408 20 0 FEADHO C[C@@H](CN1CCN(C)CC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245781548 548993299 /nfs/dbraw/zinc/99/32/99/548993299.db2.gz YYOJAPVFGZVPEM-UVUJQTEASA-N 1 3 356.558 2.408 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)C1 ZINC000245904328 549016367 /nfs/dbraw/zinc/01/63/67/549016367.db2.gz FCYVYUGVOBWQGS-CEXWTWQISA-N 1 3 350.551 2.480 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)C1 ZINC000245904328 549016368 /nfs/dbraw/zinc/01/63/68/549016368.db2.gz FCYVYUGVOBWQGS-CEXWTWQISA-N 1 3 350.551 2.480 20 0 FEADHO [NH3+]C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CC1 ZINC000246704025 549192395 /nfs/dbraw/zinc/19/23/95/549192395.db2.gz WLHMTMJZEZULFY-NVXWUHKLSA-N 1 3 355.404 2.295 20 0 FEADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000246971077 549254182 /nfs/dbraw/zinc/25/41/82/549254182.db2.gz JECXTEPTRURXJX-JKSUJKDBSA-N 1 3 363.527 2.361 20 0 FEADHO CCNC(=O)COc1ccc(C[NH2+][C@@H]2CCN(CC)C[C@H]2C)cc1OC ZINC000246995158 549259680 /nfs/dbraw/zinc/25/96/80/549259680.db2.gz NOXJQJCNZBRJAQ-NVXWUHKLSA-N 1 3 363.502 2.030 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000247028818 549269462 /nfs/dbraw/zinc/26/94/62/549269462.db2.gz NJLVVUIUBMVALN-TXPKVOOTSA-N 1 3 367.559 2.333 20 0 FEADHO C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)N1[C@H](C)CC[C@H]1C ZINC000247051348 549272560 /nfs/dbraw/zinc/27/25/60/549272560.db2.gz WPFAJBIFWCJLQH-KZNAEPCWSA-N 1 3 351.535 2.399 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000247182898 549295996 /nfs/dbraw/zinc/29/59/96/549295996.db2.gz ZHFVGFUMGKXDBJ-SJBKTWHCSA-N 1 3 373.589 2.155 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCCN(C3CC3)CC2)[C@@H](C)C1 ZINC000247198262 549297278 /nfs/dbraw/zinc/29/72/78/549297278.db2.gz LQSXGLMKLSLEIN-HKUYNNGSSA-N 1 3 366.550 2.003 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCCN(C3CC3)CC2)[C@@H](C)C1 ZINC000247198262 549297282 /nfs/dbraw/zinc/29/72/82/549297282.db2.gz LQSXGLMKLSLEIN-HKUYNNGSSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H](C(=O)NCc1ccccc1CN1CC[C@@H](O)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000248434690 549436141 /nfs/dbraw/zinc/43/61/41/549436141.db2.gz REYDBUDATIROJF-PFRQMTDMSA-N 1 3 359.514 2.131 20 0 FEADHO C[C@@H](C(=O)NCc1ccccc1CN1CC[C@@H](O)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000248434690 549436144 /nfs/dbraw/zinc/43/61/44/549436144.db2.gz REYDBUDATIROJF-PFRQMTDMSA-N 1 3 359.514 2.131 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NCc2cccs2)[C@@H](C)C1 ZINC000249478608 549594996 /nfs/dbraw/zinc/59/49/96/549594996.db2.gz WIGMGIFOVMYZBO-BQFCYCMXSA-N 1 3 367.559 2.479 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)N2CCCC2)cc1 ZINC000253356501 549683993 /nfs/dbraw/zinc/68/39/93/549683993.db2.gz RMYXZSPAQUAJJJ-PKOBYXMFSA-N 1 3 360.502 2.226 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)N2CCCC2)cc1 ZINC000253356501 549683995 /nfs/dbraw/zinc/68/39/95/549683995.db2.gz RMYXZSPAQUAJJJ-PKOBYXMFSA-N 1 3 360.502 2.226 20 0 FEADHO O=C(NC[C@@H]1CCCN(CCOC2CCCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000261809748 549757476 /nfs/dbraw/zinc/75/74/76/549757476.db2.gz JMHHZEBJVOGXPR-HKUYNNGSSA-N 1 3 351.535 2.306 20 0 FEADHO Cc1ccc(C)c(OCCN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261825863 549759489 /nfs/dbraw/zinc/75/94/89/549759489.db2.gz KPXSYMRXNCHPLJ-OALUTQOASA-N 1 3 359.514 2.262 20 0 FEADHO Cc1cccc(C)c1OCCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262135519 549791560 /nfs/dbraw/zinc/79/15/60/549791560.db2.gz ORJWLRGNGBHKBR-MOPGFXCFSA-N 1 3 359.514 2.262 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000262333708 549811464 /nfs/dbraw/zinc/81/14/64/549811464.db2.gz FIRGQIGNHARWGZ-BMFAXAFESA-N 1 3 351.535 2.112 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262375836 549815387 /nfs/dbraw/zinc/81/53/87/549815387.db2.gz MHOCDMYKOHVBCA-KRWDZBQOSA-N 1 3 373.476 2.151 20 0 FEADHO COCC1(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CC[NH2+]CC1 ZINC000262391734 549816721 /nfs/dbraw/zinc/81/67/21/549816721.db2.gz PRPOKJKRZNOIFF-KRWDZBQOSA-N 1 3 359.514 2.344 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CN1Cc1ccccc1 ZINC000262871905 549857768 /nfs/dbraw/zinc/85/77/68/549857768.db2.gz XVPMXZCCYMQBKO-NEWSRXKRSA-N 1 3 367.497 2.200 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(C(C)=O)cc1 ZINC000263796095 549938644 /nfs/dbraw/zinc/93/86/44/549938644.db2.gz KWSUMUVXKXPHCI-HXUWFJFHSA-N 1 3 359.514 2.306 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(C(C)=O)cc1 ZINC000263796095 549938646 /nfs/dbraw/zinc/93/86/46/549938646.db2.gz KWSUMUVXKXPHCI-HXUWFJFHSA-N 1 3 359.514 2.306 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000264127286 549982136 /nfs/dbraw/zinc/98/21/36/549982136.db2.gz OPYNYISVRBGPSK-VQTJNVASSA-N 1 3 374.529 2.096 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000264127286 549982139 /nfs/dbraw/zinc/98/21/39/549982139.db2.gz OPYNYISVRBGPSK-VQTJNVASSA-N 1 3 374.529 2.096 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000491834415 561447807 /nfs/dbraw/zinc/44/78/07/561447807.db2.gz YMGJZOCDCXBENG-QGZVFWFLSA-N 1 3 366.550 2.146 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000270491371 550277442 /nfs/dbraw/zinc/27/74/42/550277442.db2.gz LYARIWGFMWPWGE-IPMKNSEASA-N 1 3 357.498 2.025 20 0 FEADHO CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H](c3ccccc3)N(C)C)CC2)CC1 ZINC000270887877 550317527 /nfs/dbraw/zinc/31/75/27/550317527.db2.gz KXPZWHWTOCCOHM-OAQYLSRUSA-N 1 3 372.557 2.306 20 0 FEADHO CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H](c3ccccc3)N(C)C)CC2)CC1 ZINC000270887877 550317529 /nfs/dbraw/zinc/31/75/29/550317529.db2.gz KXPZWHWTOCCOHM-OAQYLSRUSA-N 1 3 372.557 2.306 20 0 FEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000273167782 550488209 /nfs/dbraw/zinc/48/82/09/550488209.db2.gz DDCOYWAXXISAPL-KRWDZBQOSA-N 1 3 360.546 2.217 20 0 FEADHO CC[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)N(CC)CC ZINC000273221396 550490179 /nfs/dbraw/zinc/49/01/79/550490179.db2.gz VJZMAMRHKRARAN-VQTJNVASSA-N 1 3 361.530 2.380 20 0 FEADHO CC[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)N(CC)CC ZINC000273221396 550490181 /nfs/dbraw/zinc/49/01/81/550490181.db2.gz VJZMAMRHKRARAN-VQTJNVASSA-N 1 3 361.530 2.380 20 0 FEADHO CN(C)Cc1ccccc1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000495100719 561482304 /nfs/dbraw/zinc/48/23/04/561482304.db2.gz WGCWCVHSJHKUFP-UHFFFAOYSA-N 1 3 370.497 2.404 20 0 FEADHO C[C@H](CN1CCOCC1)N(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000279164906 550860512 /nfs/dbraw/zinc/86/05/12/550860512.db2.gz BBQCJSKIIUVKEB-LJQANCHMSA-N 1 3 374.573 2.370 20 0 FEADHO Cc1cc(NC(=O)CC[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)no1 ZINC000280344429 550983263 /nfs/dbraw/zinc/98/32/63/550983263.db2.gz HWNMPCPIFKQHBJ-HDICACEKSA-N 1 3 354.454 2.375 20 0 FEADHO Cc1cc(NC(=O)CC[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)no1 ZINC000280344429 550983264 /nfs/dbraw/zinc/98/32/64/550983264.db2.gz HWNMPCPIFKQHBJ-HDICACEKSA-N 1 3 354.454 2.375 20 0 FEADHO CCN1CCO[C@@H](CNC2CC[NH+](CCOC)CC2)[C@@H]1c1ccccc1 ZINC000496343954 561493591 /nfs/dbraw/zinc/49/35/91/561493591.db2.gz TYPMVWNFOOFIGB-SFTDATJTSA-N 1 3 361.530 2.149 20 0 FEADHO CC[C@H](C)N[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)c1ccco1 ZINC000497376824 561499736 /nfs/dbraw/zinc/49/97/36/561499736.db2.gz ONBFRMJDEQTQIC-HOTGVXAUSA-N 1 3 366.506 2.119 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000282164552 551189153 /nfs/dbraw/zinc/18/91/53/551189153.db2.gz LVUUCUKLPWRKRN-IBGZPJMESA-N 1 3 359.514 2.417 20 0 FEADHO CN1CCN(CC[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1(C)C ZINC000282333851 551213083 /nfs/dbraw/zinc/21/30/83/551213083.db2.gz LRTVFHGXFYSHKR-UHFFFAOYSA-N 1 3 353.894 2.227 20 0 FEADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000283199511 551327846 /nfs/dbraw/zinc/32/78/46/551327846.db2.gz GIZMMKRELASWTK-OSPHWJPCSA-N 1 3 351.560 2.491 20 0 FEADHO N[C@@H](CC(F)F)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000498214980 561518932 /nfs/dbraw/zinc/51/89/32/561518932.db2.gz AQJRZQCEXCHEST-INIZCTEOSA-N 1 3 352.429 2.140 20 0 FEADHO CCN1CCN([C@@H](C)CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000498522717 561526769 /nfs/dbraw/zinc/52/67/69/561526769.db2.gz MGEWUQMUOIMEIX-IBGZPJMESA-N 1 3 372.557 2.428 20 0 FEADHO CCOc1ccccc1NC(=O)[C@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000289499951 552331451 /nfs/dbraw/zinc/33/14/51/552331451.db2.gz UBKPUFZLVWPFKP-KRWDZBQOSA-N 1 3 364.534 2.228 20 0 FEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000290142846 552433779 /nfs/dbraw/zinc/43/37/79/552433779.db2.gz MQODNRAELMAQNN-SFTDATJTSA-N 1 3 372.557 2.089 20 0 FEADHO CC[NH+]1CCC(CCN[C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000290668568 552516724 /nfs/dbraw/zinc/51/67/24/552516724.db2.gz LCLNJIDRTWEFEO-IBGZPJMESA-N 1 3 365.543 2.423 20 0 FEADHO CN(C)[C@@]1(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)CCSC1 ZINC000501064631 561588873 /nfs/dbraw/zinc/58/88/73/561588873.db2.gz ADIJQIKTSISRLI-GOSISDBHSA-N 1 3 356.580 2.187 20 0 FEADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CCN1Cc1ccccc1 ZINC000291755028 552658671 /nfs/dbraw/zinc/65/86/71/552658671.db2.gz KTLQBFTUNXEMCM-UIFIKXQLSA-N 1 3 371.525 2.409 20 0 FEADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CCN1Cc1ccccc1 ZINC000291755028 552658672 /nfs/dbraw/zinc/65/86/72/552658672.db2.gz KTLQBFTUNXEMCM-UIFIKXQLSA-N 1 3 371.525 2.409 20 0 FEADHO CN1CCN(CCCNC(=O)CC[C@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000292166539 552700373 /nfs/dbraw/zinc/70/03/73/552700373.db2.gz VPBMQWXBSXMRQZ-UXHICEINSA-N 1 3 358.530 2.014 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](O)CC1 ZINC000293121338 552790750 /nfs/dbraw/zinc/79/07/50/552790750.db2.gz MHIQONKNGYCRHN-XLIONFOSSA-N 1 3 359.514 2.003 20 0 FEADHO COCCc1ccc(OC[C@@H](O)CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000293503081 552830136 /nfs/dbraw/zinc/83/01/36/552830136.db2.gz NTFJSPTZXJRTJK-FQEVSTJZSA-N 1 3 364.530 2.279 20 0 FEADHO CCC[NH2+][C@@H](C)C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000294927294 552944716 /nfs/dbraw/zinc/94/47/16/552944716.db2.gz CZWLACIRAXIGEM-AWEZNQCLSA-N 1 3 361.490 2.229 20 0 FEADHO CC1(C(=O)N[C@@H]2CCCN(CCCO)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000295510214 553018679 /nfs/dbraw/zinc/01/86/79/553018679.db2.gz PVBPUELGUOUGTE-HXUWFJFHSA-N 1 3 373.541 2.252 20 0 FEADHO COc1cc(C)c(C[C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1OC ZINC000502250156 561615072 /nfs/dbraw/zinc/61/50/72/561615072.db2.gz DNSVWSPYHWHHPA-FUHWJXTLSA-N 1 3 350.503 2.380 20 0 FEADHO O=C(NCC[NH2+]C1CCN(c2ccncc2)CC1)c1c(F)cccc1F ZINC000298299237 553409483 /nfs/dbraw/zinc/40/94/83/553409483.db2.gz HMFAJJXULHRUOT-UHFFFAOYSA-N 1 3 360.408 2.348 20 0 FEADHO O[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)COc1ccc(F)c(F)c1 ZINC000298557509 553440287 /nfs/dbraw/zinc/44/02/87/553440287.db2.gz VMGHNGRZDWFHCU-MRXNPFEDSA-N 1 3 363.408 2.358 20 0 FEADHO COCCOc1cc2c(cc1CNCC1(C)CC[NH+](C)CC1)OCO2 ZINC000503925169 561650085 /nfs/dbraw/zinc/65/00/85/561650085.db2.gz BTNGWVONSXGYSD-UHFFFAOYSA-N 1 3 350.459 2.262 20 0 FEADHO CCN1CCN(CCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000299269850 553540222 /nfs/dbraw/zinc/54/02/22/553540222.db2.gz UDAMCZFNVQAPDK-UHFFFAOYSA-N 1 3 372.557 2.430 20 0 FEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000504549192 561659600 /nfs/dbraw/zinc/65/96/00/561659600.db2.gz ZRFMSQANWYSBJH-FPAYPSAMSA-N 1 3 371.591 2.337 20 0 FEADHO CN1CCCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000505365582 561669955 /nfs/dbraw/zinc/66/99/55/561669955.db2.gz FKZKPZOCQVILPG-UHFFFAOYSA-N 1 3 360.502 2.007 20 0 FEADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000328283734 553793523 /nfs/dbraw/zinc/79/35/23/553793523.db2.gz HLGRFUYEHUBENY-ABSDTBQOSA-N 1 3 351.535 2.098 20 0 FEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000328283734 553793524 /nfs/dbraw/zinc/79/35/24/553793524.db2.gz HLGRFUYEHUBENY-ABSDTBQOSA-N 1 3 351.535 2.098 20 0 FEADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC(C[NH+](C)C)CC1 ZINC000506931272 561711992 /nfs/dbraw/zinc/71/19/92/561711992.db2.gz YFHOPGQOVRLYRP-UHFFFAOYSA-N 1 3 350.507 2.225 20 0 FEADHO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1=O ZINC000507479986 561730410 /nfs/dbraw/zinc/73/04/10/561730410.db2.gz ACZNFHIVVOEUDG-KAUTUKSKSA-N 1 3 353.510 2.496 20 0 FEADHO COCC[N@H+](C)CC[C@@H](NC(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000509784381 561813852 /nfs/dbraw/zinc/81/38/52/561813852.db2.gz WHNQXBQDXCAKQV-RBUKOAKNSA-N 1 3 362.518 2.089 20 0 FEADHO COCC[N@@H+](C)CC[C@@H](NC(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000509784381 561813853 /nfs/dbraw/zinc/81/38/53/561813853.db2.gz WHNQXBQDXCAKQV-RBUKOAKNSA-N 1 3 362.518 2.089 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000510541519 561838397 /nfs/dbraw/zinc/83/83/97/561838397.db2.gz ZCBSMEWMLIFPHL-RTBURBONSA-N 1 3 362.518 2.042 20 0 FEADHO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000333280282 554597916 /nfs/dbraw/zinc/59/79/16/554597916.db2.gz MHWYEQHYSZJNKB-RCCFBDPRSA-N 1 3 357.564 2.089 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)c2)CC1 ZINC000333321980 554602432 /nfs/dbraw/zinc/60/24/32/554602432.db2.gz NCJZRORVXKPEDF-SNRMKQJTSA-N 1 3 357.502 2.030 20 0 FEADHO CN(C)CCOc1ccc(CC[NH2+]Cc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000510815305 561847503 /nfs/dbraw/zinc/84/75/03/561847503.db2.gz ZFDVHZSNEWMJBH-UHFFFAOYSA-N 1 3 369.465 2.404 20 0 FEADHO C[C@@]1(CNC(=O)NCC2(N3CCSCC3)CCCCC2)CCC[NH2+]C1 ZINC000333440251 554613553 /nfs/dbraw/zinc/61/35/53/554613553.db2.gz VYTULPCYJDJCAW-GOSISDBHSA-N 1 3 368.591 2.427 20 0 FEADHO [NH3+]C[C@@H]1CCCCN1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000333456800 554615277 /nfs/dbraw/zinc/61/52/77/554615277.db2.gz YKBHAEMIWFCFOZ-INIZCTEOSA-N 1 3 354.564 2.261 20 0 FEADHO Cc1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)nc1C ZINC000333758865 554640144 /nfs/dbraw/zinc/64/01/44/554640144.db2.gz ORHHWKJXQRGGSN-UHFFFAOYSA-N 1 3 359.518 2.056 20 0 FEADHO C[C@H](CNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)N1CCC(C)CC1 ZINC000333793995 554643842 /nfs/dbraw/zinc/64/38/42/554643842.db2.gz MWYBGFQNOCDCEM-QRQLOZEOSA-N 1 3 366.550 2.035 20 0 FEADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333815390 554645757 /nfs/dbraw/zinc/64/57/57/554645757.db2.gz GNUKWHIOQVRHDN-MAODMQOUSA-N 1 3 371.525 2.178 20 0 FEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333835389 554648163 /nfs/dbraw/zinc/64/81/63/554648163.db2.gz KCQQEZNBVFFPGU-MGGVOPSTSA-N 1 3 351.535 2.098 20 0 FEADHO COCc1ccccc1/C=C(\C)C[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000510905776 561850323 /nfs/dbraw/zinc/85/03/23/561850323.db2.gz ITFWASDVINYUMV-UMEYKSNOSA-N 1 3 359.514 2.413 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc3c(c2)oc(=O)n3C)[C@H](C)C1 ZINC000510982311 561853160 /nfs/dbraw/zinc/85/31/60/561853160.db2.gz KUQBLJVUSBVBRW-WBVHZDCISA-N 1 3 361.486 2.358 20 0 FEADHO C[C@@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N1CCC(C)CC1 ZINC000360776906 554889327 /nfs/dbraw/zinc/88/93/27/554889327.db2.gz HYMCFTJOROWLHX-HKUYNNGSSA-N 1 3 350.551 2.480 20 0 FEADHO COC(=O)c1ccnc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000362302046 554961312 /nfs/dbraw/zinc/96/13/12/554961312.db2.gz AXXMAPTXJWTFBD-MSOLQXFVSA-N 1 3 358.486 2.053 20 0 FEADHO COC(=O)c1ccnc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000362302046 554961314 /nfs/dbraw/zinc/96/13/14/554961314.db2.gz AXXMAPTXJWTFBD-MSOLQXFVSA-N 1 3 358.486 2.053 20 0 FEADHO COC(=O)c1ccnc(N2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)c1 ZINC000362302046 554961316 /nfs/dbraw/zinc/96/13/16/554961316.db2.gz AXXMAPTXJWTFBD-MSOLQXFVSA-N 1 3 358.486 2.053 20 0 FEADHO O=C(c1ccc(CN2CCC(CO)CC2)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000362407137 554970176 /nfs/dbraw/zinc/97/01/76/554970176.db2.gz FETZMZMWOXXBCE-NRFANRHFSA-N 1 3 371.525 2.201 20 0 FEADHO O=C(c1ccc(CN2CCC(CO)CC2)cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000362407137 554970180 /nfs/dbraw/zinc/97/01/80/554970180.db2.gz FETZMZMWOXXBCE-NRFANRHFSA-N 1 3 371.525 2.201 20 0 FEADHO CCN(C(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000362719841 554983780 /nfs/dbraw/zinc/98/37/80/554983780.db2.gz OWXLZJRZGCJIHS-HXUWFJFHSA-N 1 3 364.578 2.268 20 0 FEADHO CC(C)[NH+](CCNC(=O)N[C@H]1CCN(C[C@H]2CCCO2)C[C@H]1C)C(C)C ZINC000363539759 555132068 /nfs/dbraw/zinc/13/20/68/555132068.db2.gz OPMPFHOPHMCADG-QRVBRYPASA-N 1 3 368.566 2.294 20 0 FEADHO COCCCN(C)CCNC(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000363573217 555140105 /nfs/dbraw/zinc/14/01/05/555140105.db2.gz OZMCVYPAKKNRCG-UHFFFAOYSA-N 1 3 368.566 2.297 20 0 FEADHO Cc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363711605 555169557 /nfs/dbraw/zinc/16/95/57/555169557.db2.gz HNPSJHYHQAEKTB-YSTOQKLRSA-N 1 3 362.514 2.214 20 0 FEADHO Cc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363711605 555169558 /nfs/dbraw/zinc/16/95/58/555169558.db2.gz HNPSJHYHQAEKTB-YSTOQKLRSA-N 1 3 362.514 2.214 20 0 FEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CCn4ncc(C(N)=O)c4C3)CC2)C1 ZINC000364665908 555367887 /nfs/dbraw/zinc/36/78/87/555367887.db2.gz UUEXNOFDAVWGDQ-NUJGCVRESA-N 1 3 373.545 2.177 20 0 FEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3CCn4ncc(C(N)=O)c4C3)CC2)C1 ZINC000364665908 555367890 /nfs/dbraw/zinc/36/78/90/555367890.db2.gz UUEXNOFDAVWGDQ-NUJGCVRESA-N 1 3 373.545 2.177 20 0 FEADHO CN(Cc1cc(=O)n2ccsc2n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364997532 555460852 /nfs/dbraw/zinc/46/08/52/555460852.db2.gz XZCJTSAOONRDIE-UHFFFAOYSA-N 1 3 369.494 2.499 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCO1 ZINC000365467114 555583548 /nfs/dbraw/zinc/58/35/48/555583548.db2.gz UCZBBQOXRNNGEX-QGZVFWFLSA-N 1 3 366.550 2.194 20 0 FEADHO COC1(CO)CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000365828184 555676744 /nfs/dbraw/zinc/67/67/44/555676744.db2.gz HDVBHMACHZGRIV-UHFFFAOYSA-N 1 3 361.530 2.190 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513523784 561941572 /nfs/dbraw/zinc/94/15/72/561941572.db2.gz CCXCYPSCLNFQRW-OAQYLSRUSA-N 1 3 353.514 2.378 20 0 FEADHO COC1(C(=O)NC[C@H]2CCN(C)[C@@H]2c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000366329357 555813511 /nfs/dbraw/zinc/81/35/11/555813511.db2.gz NWVRVFGCHCTEQL-NVXWUHKLSA-N 1 3 365.905 2.218 20 0 FEADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)COCc2ccccc2Cl)CCCO1 ZINC000514669051 561972854 /nfs/dbraw/zinc/97/28/54/561972854.db2.gz VXSZFSVWBYXGKV-FUHWJXTLSA-N 1 3 370.921 2.308 20 0 FEADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)COCc2ccccc2Cl)CCCO1 ZINC000514669051 561972856 /nfs/dbraw/zinc/97/28/56/561972856.db2.gz VXSZFSVWBYXGKV-FUHWJXTLSA-N 1 3 370.921 2.308 20 0 FEADHO CC(C)N1CCc2nc(CN(C)CCC[N@H+](C)CCN(C)C)sc2C1 ZINC000367668811 556109994 /nfs/dbraw/zinc/10/99/94/556109994.db2.gz QXMJHMBWNOEPLF-UHFFFAOYSA-N 1 3 367.607 2.225 20 0 FEADHO CC(C)N1CCc2nc(CN(C)CCC[N@@H+](C)CCN(C)C)sc2C1 ZINC000367668811 556109997 /nfs/dbraw/zinc/10/99/97/556109997.db2.gz QXMJHMBWNOEPLF-UHFFFAOYSA-N 1 3 367.607 2.225 20 0 FEADHO CC(C)N1CCc2nc(CN(C)CCCN(C)CC[NH+](C)C)sc2C1 ZINC000367668811 556109999 /nfs/dbraw/zinc/10/99/99/556109999.db2.gz QXMJHMBWNOEPLF-UHFFFAOYSA-N 1 3 367.607 2.225 20 0 FEADHO Cc1ccccc1CNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367685158 556113961 /nfs/dbraw/zinc/11/39/61/556113961.db2.gz PMAONBRTTVEYRJ-WIYYLYMNSA-N 1 3 372.557 2.100 20 0 FEADHO C[C@H]1C[C@@H](CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000368617615 556364169 /nfs/dbraw/zinc/36/41/69/556364169.db2.gz RWCSHPHBUNCNNN-IRXDYDNUSA-N 1 3 366.550 2.049 20 0 FEADHO CN(c1ccccc1CN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000368964470 556461080 /nfs/dbraw/zinc/46/10/80/556461080.db2.gz OWKQVNFLIAQXJU-LRQRDZAKSA-N 1 3 370.541 2.303 20 0 FEADHO C[N@H+](CCNC(=O)NC1CCN(CCc2ccncc2)CC1)C1CCCC1 ZINC000369025273 556479654 /nfs/dbraw/zinc/47/96/54/556479654.db2.gz CGTGWOWKQJDZMC-UHFFFAOYSA-N 1 3 373.545 2.262 20 0 FEADHO C[N@@H+](CCNC(=O)NC1CCN(CCc2ccncc2)CC1)C1CCCC1 ZINC000369025273 556479655 /nfs/dbraw/zinc/47/96/55/556479655.db2.gz CGTGWOWKQJDZMC-UHFFFAOYSA-N 1 3 373.545 2.262 20 0 FEADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C[C@@](C)(O)C(F)(F)F ZINC000369185940 556529092 /nfs/dbraw/zinc/52/90/92/556529092.db2.gz ASVWFRXLKDSNKW-QGZVFWFLSA-N 1 3 365.484 2.428 20 0 FEADHO c1ccc(Cc2nnc3n2C[C@H](N[C@H]2CC[N@@H+]4CCC[C@@H]4C2)CC3)cc1 ZINC000369239678 556545527 /nfs/dbraw/zinc/54/55/27/556545527.db2.gz UTECLIQDAYJQOV-IPMKNSEASA-N 1 3 351.498 2.400 20 0 FEADHO c1ccc(Cc2nnc3n2C[C@H](N[C@H]2CC[N@H+]4CCC[C@@H]4C2)CC3)cc1 ZINC000369239678 556545529 /nfs/dbraw/zinc/54/55/29/556545529.db2.gz UTECLIQDAYJQOV-IPMKNSEASA-N 1 3 351.498 2.400 20 0 FEADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCCCC[NH2+]1 ZINC000516573359 562048915 /nfs/dbraw/zinc/04/89/15/562048915.db2.gz WZINEAILZKBRTB-FQEVSTJZSA-N 1 3 358.530 2.237 20 0 FEADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000370126644 556787650 /nfs/dbraw/zinc/78/76/50/556787650.db2.gz QQEWNVFZZXZQHJ-GFEQUFNTSA-N 1 3 366.550 2.048 20 0 FEADHO CC(C)[C@@H](C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)N(C)C ZINC000370217210 556813641 /nfs/dbraw/zinc/81/36/41/556813641.db2.gz XEKAMULDWVCKAU-FQEVSTJZSA-N 1 3 366.594 2.227 20 0 FEADHO CC(=O)c1cccc(OC[C@@H](O)CN2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000370711551 556946673 /nfs/dbraw/zinc/94/66/73/556946673.db2.gz XHQAJZUNGNMPNW-IBGZPJMESA-N 1 3 360.498 2.437 20 0 FEADHO C[C@H](C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)[C@@H](N)c1ccccc1 ZINC000370772606 556963401 /nfs/dbraw/zinc/96/34/01/556963401.db2.gz LKYKFMKMPBIESE-XIHRTOKZSA-N 1 3 359.514 2.328 20 0 FEADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)[C@@H](N)c1ccccc1 ZINC000370772606 556963404 /nfs/dbraw/zinc/96/34/04/556963404.db2.gz LKYKFMKMPBIESE-XIHRTOKZSA-N 1 3 359.514 2.328 20 0 FEADHO C[C@H]1CN(CCC(=O)Nc2ccc(F)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371336274 557150609 /nfs/dbraw/zinc/15/06/09/557150609.db2.gz OPAJWUPXGIAJJG-LPHOPBHVSA-N 1 3 362.493 2.112 20 0 FEADHO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000371605455 557237288 /nfs/dbraw/zinc/23/72/88/557237288.db2.gz QEWNLMQIPBZPMK-OALUTQOASA-N 1 3 359.518 2.077 20 0 FEADHO CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000371605455 557237289 /nfs/dbraw/zinc/23/72/89/557237289.db2.gz QEWNLMQIPBZPMK-OALUTQOASA-N 1 3 359.518 2.077 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000518106201 562104655 /nfs/dbraw/zinc/10/46/55/562104655.db2.gz OFIHPKVPQBXQPZ-IRXDYDNUSA-N 1 3 368.566 2.438 20 0 FEADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000371706323 557270009 /nfs/dbraw/zinc/27/00/09/557270009.db2.gz RWJOFQBXFQEQJM-LJQANCHMSA-N 1 3 363.546 2.498 20 0 FEADHO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCN(C2CCOCC2)CC1 ZINC000371884997 557319519 /nfs/dbraw/zinc/31/95/19/557319519.db2.gz XWBDANXIGGKYRI-SFHVURJKSA-N 1 3 363.546 2.354 20 0 FEADHO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCCN(C2CCOCC2)CC1 ZINC000371884997 557319521 /nfs/dbraw/zinc/31/95/21/557319521.db2.gz XWBDANXIGGKYRI-SFHVURJKSA-N 1 3 363.546 2.354 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@]12CCO[C@H](C)C2 ZINC000371950633 557336727 /nfs/dbraw/zinc/33/67/27/557336727.db2.gz XFWCQDUQGRBIHM-XSYGEPLQSA-N 1 3 351.535 2.066 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@]12CCO[C@H](C)C2 ZINC000371950633 557336730 /nfs/dbraw/zinc/33/67/30/557336730.db2.gz XFWCQDUQGRBIHM-XSYGEPLQSA-N 1 3 351.535 2.066 20 0 FEADHO CC(C)(C[NH+]1CCCC1)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000518921763 562121028 /nfs/dbraw/zinc/12/10/28/562121028.db2.gz ZTDPVOIVRYGILK-UHFFFAOYSA-N 1 3 359.518 2.472 20 0 FEADHO Fc1ccc(CCN2CCC([NH2+]C[C@H]3CN4CCC[C@H]4CO3)CC2)cc1 ZINC000372065605 557370983 /nfs/dbraw/zinc/37/09/83/557370983.db2.gz QVDVNSOYTUSZCN-SFTDATJTSA-N 1 3 361.505 2.285 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000372073875 557372646 /nfs/dbraw/zinc/37/26/46/557372646.db2.gz PUJMXSDUTAWUCO-AFYVEPGGSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000372073875 557372648 /nfs/dbraw/zinc/37/26/48/557372648.db2.gz PUJMXSDUTAWUCO-AFYVEPGGSA-N 1 3 356.514 2.433 20 0 FEADHO CCCN(CC[NH+]1CCCCCC1)CC(=O)NC1CCN(C2CC2)CC1 ZINC000519026873 562123528 /nfs/dbraw/zinc/12/35/28/562123528.db2.gz XGQXDGNXRPFRIY-UHFFFAOYSA-N 1 3 364.578 2.317 20 0 FEADHO C[C@@H](C(=O)NCC1CCCCC1)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372364343 557450658 /nfs/dbraw/zinc/45/06/58/557450658.db2.gz FCXGBKIWEKWWNJ-FXAWDEMLSA-N 1 3 364.578 2.172 20 0 FEADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000372531104 557494609 /nfs/dbraw/zinc/49/46/09/557494609.db2.gz CWXLKFOONPKYLZ-PMACEKPBSA-N 1 3 373.545 2.448 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC[NH2+]1 ZINC000519695141 562140395 /nfs/dbraw/zinc/14/03/95/562140395.db2.gz FWTJLZAAJKNZNK-OWCLPIDISA-N 1 3 350.532 2.400 20 0 FEADHO [NH3+]Cc1cn([C@@H]2CCCN(Cc3c[nH]nc3-c3ccc(F)cc3)C2)nn1 ZINC000519587644 562135991 /nfs/dbraw/zinc/13/59/91/562135991.db2.gz FCYIKWYGBQBOKR-QGZVFWFLSA-N 1 3 355.421 2.103 20 0 FEADHO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000373172324 557643099 /nfs/dbraw/zinc/64/30/99/557643099.db2.gz INZSJPCMJXSIBX-JBACZVJFSA-N 1 3 364.530 2.385 20 0 FEADHO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000373172324 557643101 /nfs/dbraw/zinc/64/31/01/557643101.db2.gz INZSJPCMJXSIBX-JBACZVJFSA-N 1 3 364.530 2.385 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[NH2+][C@H](C)C3)c(C)c2)CC1 ZINC000520197437 562150302 /nfs/dbraw/zinc/15/03/02/562150302.db2.gz TWIYBDWRZIKGLM-SJORKVTESA-N 1 3 359.518 2.399 20 0 FEADHO CN(C[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CC1 ZINC000520292066 562152689 /nfs/dbraw/zinc/15/26/89/562152689.db2.gz OLWMNCJEIFURIS-BAGYTPMASA-N 1 3 357.542 2.428 20 0 FEADHO CN(C[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC1 ZINC000520292066 562152690 /nfs/dbraw/zinc/15/26/90/562152690.db2.gz OLWMNCJEIFURIS-BAGYTPMASA-N 1 3 357.542 2.428 20 0 FEADHO CC(C)[C@H](C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)N1CCCCC1 ZINC000374402104 557879375 /nfs/dbraw/zinc/87/93/75/557879375.db2.gz SELRVWMQKLJYEZ-INDMIFKZSA-N 1 3 351.535 2.207 20 0 FEADHO C[C@@H]1CN(CCC(=O)N(C)c2ccccc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000374611542 557906497 /nfs/dbraw/zinc/90/64/97/557906497.db2.gz MABCEAPTERZYGL-GOSISDBHSA-N 1 3 358.530 2.140 20 0 FEADHO C[C@@H]1CN(CCC(=O)N(C)c2ccccc2)CC[N@H+]1C1CCN(C)CC1 ZINC000374611542 557906499 /nfs/dbraw/zinc/90/64/99/557906499.db2.gz MABCEAPTERZYGL-GOSISDBHSA-N 1 3 358.530 2.140 20 0 FEADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000375095100 557977082 /nfs/dbraw/zinc/97/70/82/557977082.db2.gz TXHVLKXYNPIOIJ-INIZCTEOSA-N 1 3 362.543 2.360 20 0 FEADHO COC[C@@H](C)OC[C@H](O)CNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375470741 558033028 /nfs/dbraw/zinc/03/30/28/558033028.db2.gz OXBINEBVYCTUEB-VBSBHUPXSA-N 1 3 350.503 2.072 20 0 FEADHO COC[C@@H](C)OC[C@H](O)CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375470741 558033029 /nfs/dbraw/zinc/03/30/29/558033029.db2.gz OXBINEBVYCTUEB-VBSBHUPXSA-N 1 3 350.503 2.072 20 0 FEADHO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000376258547 558148884 /nfs/dbraw/zinc/14/88/84/558148884.db2.gz SDFMLRHNCZCRFS-MRXNPFEDSA-N 1 3 360.502 2.111 20 0 FEADHO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000376258547 558148886 /nfs/dbraw/zinc/14/88/86/558148886.db2.gz SDFMLRHNCZCRFS-MRXNPFEDSA-N 1 3 360.502 2.111 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000376646931 558202700 /nfs/dbraw/zinc/20/27/00/558202700.db2.gz RKSIUVVITCMZEY-IEBWSBKVSA-N 1 3 366.550 2.144 20 0 FEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc2c1CCN(CC)C2 ZINC000377416309 558336369 /nfs/dbraw/zinc/33/63/69/558336369.db2.gz FYITXQKWSONQAZ-INIZCTEOSA-N 1 3 374.529 2.240 20 0 FEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc2c1CCN(CC)C2 ZINC000377416309 558336371 /nfs/dbraw/zinc/33/63/71/558336371.db2.gz FYITXQKWSONQAZ-INIZCTEOSA-N 1 3 374.529 2.240 20 0 FEADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000522069177 562190861 /nfs/dbraw/zinc/19/08/61/562190861.db2.gz AGEXKFDJWNZNBU-OAQYLSRUSA-N 1 3 370.541 2.067 20 0 FEADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)Cc1ccccc1 ZINC000522305954 562196752 /nfs/dbraw/zinc/19/67/52/562196752.db2.gz OXVSMYGUUCJFDK-UYAOXDASSA-N 1 3 358.530 2.475 20 0 FEADHO O=C(NCCCC[NH+]1CCCC1)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000377621441 558378802 /nfs/dbraw/zinc/37/88/02/558378802.db2.gz GGWAPGXUOALTHK-FQEVSTJZSA-N 1 3 373.545 2.469 20 0 FEADHO CC(=O)N1CC[C@H]([NH2+]C2CCN(CCN(C)C)CC2)c2ccccc2C1 ZINC000378495022 558569243 /nfs/dbraw/zinc/56/92/43/558569243.db2.gz MBNCIFUCIYNCAN-NRFANRHFSA-N 1 3 358.530 2.096 20 0 FEADHO N#Cc1ccccc1OC[C@@H](O)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380129473 558602338 /nfs/dbraw/zinc/60/23/38/558602338.db2.gz SNQDHYRALGEUPB-CTNGQTDRSA-N 1 3 365.477 2.410 20 0 FEADHO N#Cc1ccccc1OC[C@@H](O)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380129473 558602340 /nfs/dbraw/zinc/60/23/40/558602340.db2.gz SNQDHYRALGEUPB-CTNGQTDRSA-N 1 3 365.477 2.410 20 0 FEADHO CC[N@H+](CCNC(=O)N(CCN(C)C)Cc1cccc(F)c1)C1CC1 ZINC000523917407 562221616 /nfs/dbraw/zinc/22/16/16/562221616.db2.gz SHLMHWWWHHURRR-UHFFFAOYSA-N 1 3 350.482 2.383 20 0 FEADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc1cccc(F)c1)C1CC1 ZINC000523917407 562221617 /nfs/dbraw/zinc/22/16/17/562221617.db2.gz SHLMHWWWHHURRR-UHFFFAOYSA-N 1 3 350.482 2.383 20 0 FEADHO CN(C)CCOC1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000524494924 562229716 /nfs/dbraw/zinc/22/97/16/562229716.db2.gz TXQAUTZLZXNPMH-UHFFFAOYSA-N 1 3 368.566 2.393 20 0 FEADHO CN(C)CCOC1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000524494924 562229717 /nfs/dbraw/zinc/22/97/17/562229717.db2.gz TXQAUTZLZXNPMH-UHFFFAOYSA-N 1 3 368.566 2.393 20 0 FEADHO CC(C)[N@H+](C)CC1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000524666146 562231838 /nfs/dbraw/zinc/23/18/38/562231838.db2.gz OZRWIUNYBFXTTP-QGZVFWFLSA-N 1 3 364.486 2.207 20 0 FEADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000524666146 562231839 /nfs/dbraw/zinc/23/18/39/562231839.db2.gz OZRWIUNYBFXTTP-QGZVFWFLSA-N 1 3 364.486 2.207 20 0 FEADHO COc1ccc(C(C)(C)CNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000525447219 562248260 /nfs/dbraw/zinc/24/82/60/562248260.db2.gz VILCVWAMFGPQAP-UHFFFAOYSA-N 1 3 364.534 2.108 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000411474773 558901143 /nfs/dbraw/zinc/90/11/43/558901143.db2.gz LZPYIEFSYKONIU-XLIONFOSSA-N 1 3 359.514 2.344 20 0 FEADHO Cc1cc(NC(=O)C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)ccc1C[NH+](C)C ZINC000411522151 558910269 /nfs/dbraw/zinc/91/02/69/558910269.db2.gz VMUJMCBHBXAGAB-LPHOPBHVSA-N 1 3 372.513 2.080 20 0 FEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411549361 558915466 /nfs/dbraw/zinc/91/54/66/558915466.db2.gz GYORPUJCFUVJDT-MRXNPFEDSA-N 1 3 362.518 2.232 20 0 FEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411549361 558915467 /nfs/dbraw/zinc/91/54/67/558915467.db2.gz GYORPUJCFUVJDT-MRXNPFEDSA-N 1 3 362.518 2.232 20 0 FEADHO O=C(NCCC[NH+]1CCC(O)CC1)c1cccc(CN2CCCCC2)c1 ZINC000412178322 559018671 /nfs/dbraw/zinc/01/86/71/559018671.db2.gz SLKHHGUAFVXALR-UHFFFAOYSA-N 1 3 359.514 2.249 20 0 FEADHO CN1CCC(C[NH2+]C2CC(c3ccccc3F)C2)(N2CCOCC2)CC1 ZINC000414187017 559152159 /nfs/dbraw/zinc/15/21/59/559152159.db2.gz HVDBQGDRRKBNQR-UHFFFAOYSA-N 1 3 361.505 2.458 20 0 FEADHO C[C@H](CCCc1cccnc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414203967 559152913 /nfs/dbraw/zinc/15/29/13/559152913.db2.gz VVAFRLFVRDBHHP-LJQANCHMSA-N 1 3 360.546 2.179 20 0 FEADHO Cc1nc2ccc(C[NH2+]CC3(N4CCOCC4)CCN(C)CC3)cc2s1 ZINC000414487391 559168032 /nfs/dbraw/zinc/16/80/32/559168032.db2.gz RZUKZXKYQQWGRS-UHFFFAOYSA-N 1 3 374.554 2.491 20 0 FEADHO CC(C)CCn1cccc1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414490986 559168539 /nfs/dbraw/zinc/16/85/39/559168539.db2.gz YOFYZAHPXHZELA-UHFFFAOYSA-N 1 3 362.562 2.420 20 0 FEADHO COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000414684338 559179591 /nfs/dbraw/zinc/17/95/91/559179591.db2.gz VIICSWIUGZLKFQ-CRAIPNDOSA-N 1 3 361.486 2.038 20 0 FEADHO COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000414684338 559179592 /nfs/dbraw/zinc/17/95/92/559179592.db2.gz VIICSWIUGZLKFQ-CRAIPNDOSA-N 1 3 361.486 2.038 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)c(C)c2)CC1 ZINC000414755225 559185380 /nfs/dbraw/zinc/18/53/80/559185380.db2.gz SYTBYJNLOPWNHG-SJORKVTESA-N 1 3 359.518 2.386 20 0 FEADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414887026 559193170 /nfs/dbraw/zinc/19/31/70/559193170.db2.gz WJSVWRKCNMSRSO-CRAIPNDOSA-N 1 3 360.502 2.416 20 0 FEADHO CC[NH2+][C@H](C)CNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415071772 559203884 /nfs/dbraw/zinc/20/38/84/559203884.db2.gz USQUGEKVJOYWPN-OAHLLOKOSA-N 1 3 350.532 2.397 20 0 FEADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415085459 559204553 /nfs/dbraw/zinc/20/45/53/559204553.db2.gz SMRRTOOJJSFNKW-DZGCQCFKSA-N 1 3 357.420 2.423 20 0 FEADHO COc1ccccc1CC(=O)N1CCC(N[C@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000415100296 559205361 /nfs/dbraw/zinc/20/53/61/559205361.db2.gz HUUMBEZGXZBDBL-VQIMIIECSA-N 1 3 359.514 2.349 20 0 FEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000415116710 559206251 /nfs/dbraw/zinc/20/62/51/559206251.db2.gz ZQMXMVJFZRDWNV-LULLPPNCSA-N 1 3 351.514 2.233 20 0 FEADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000415161746 559210374 /nfs/dbraw/zinc/21/03/74/559210374.db2.gz VQDWFEUCVLBZOA-KXBFYZLASA-N 1 3 368.481 2.152 20 0 FEADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000415161743 559210396 /nfs/dbraw/zinc/21/03/96/559210396.db2.gz VQDWFEUCVLBZOA-BEFAXECRSA-N 1 3 368.481 2.152 20 0 FEADHO Cc1cc(NC(=O)NCCCC[NH3+])n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000415320131 559224005 /nfs/dbraw/zinc/22/40/05/559224005.db2.gz UZNHKYFAFDXPFM-SFHVURJKSA-N 1 3 370.501 2.499 20 0 FEADHO COCCNCCNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000415394015 559230851 /nfs/dbraw/zinc/23/08/51/559230851.db2.gz PWJPGTVOPMXHFY-UHFFFAOYSA-N 1 3 362.518 2.319 20 0 FEADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)Nc2ccccc2CCN(C)C)cc1 ZINC000415478385 559241680 /nfs/dbraw/zinc/24/16/80/559241680.db2.gz BBYRWUXHHYARQP-OAHLLOKOSA-N 1 3 368.481 2.065 20 0 FEADHO CCCC[C@H](CN)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415500140 559243975 /nfs/dbraw/zinc/24/39/75/559243975.db2.gz PPNDZGXZDDUHEU-VQIMIIECSA-N 1 3 374.529 2.491 20 0 FEADHO CCCC[C@H](CN)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415500140 559243976 /nfs/dbraw/zinc/24/39/76/559243976.db2.gz PPNDZGXZDDUHEU-VQIMIIECSA-N 1 3 374.529 2.491 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000415505841 559244825 /nfs/dbraw/zinc/24/48/25/559244825.db2.gz QXOFLTHMCAWWML-GOSISDBHSA-N 1 3 362.518 2.299 20 0 FEADHO C[NH2+]Cc1ccc(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000415970850 559285814 /nfs/dbraw/zinc/28/58/14/559285814.db2.gz JBBBFJKQRALCMT-OAQYLSRUSA-N 1 3 368.481 2.165 20 0 FEADHO C[NH2+]Cc1ccc(NC(=O)NCc2ccnc(OCCN(C)C)c2)cc1 ZINC000415986788 559287107 /nfs/dbraw/zinc/28/71/07/559287107.db2.gz VQFLERKYZQJHTP-UHFFFAOYSA-N 1 3 357.458 2.063 20 0 FEADHO C[NH2+]Cc1ccc(NC(=O)NCc2ccncc2OCCN(C)C)cc1 ZINC000415987090 559287163 /nfs/dbraw/zinc/28/71/63/559287163.db2.gz WOVREQZOYRFAFO-UHFFFAOYSA-N 1 3 357.458 2.063 20 0 FEADHO CN(CCCN(C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)Cc1ccco1 ZINC000416050020 559290935 /nfs/dbraw/zinc/29/09/35/559290935.db2.gz RMJLEHVJAHHCQW-ZDUSSCGKSA-N 1 3 350.385 2.023 20 0 FEADHO CC[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)N1CCc2ccccc2C1 ZINC000415990907 559287588 /nfs/dbraw/zinc/28/75/88/559287588.db2.gz DUDUXCGJFIPLAE-HZPDHXFCSA-N 1 3 372.435 2.402 20 0 FEADHO COC1CC[NH+](C(C)(C)CNC(=O)CCN2CCc3ccccc3C2)CC1 ZINC000416151739 559294771 /nfs/dbraw/zinc/29/47/71/559294771.db2.gz RZMRIOSPENGGHV-UHFFFAOYSA-N 1 3 373.541 2.440 20 0 FEADHO CN(C)CCOc1cc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)ccn1 ZINC000416185934 559296966 /nfs/dbraw/zinc/29/69/66/559296966.db2.gz YALSXUBNHZQERC-IBGZPJMESA-N 1 3 370.497 2.331 20 0 FEADHO COc1cnccc1N1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416228484 559299834 /nfs/dbraw/zinc/29/98/34/559299834.db2.gz RUSXDBVPNNFONK-LJQANCHMSA-N 1 3 368.481 2.432 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)NCC1=CC[NH2+]CC1)c1cccc(OC)c1 ZINC000416903207 559337433 /nfs/dbraw/zinc/33/74/33/559337433.db2.gz CBQIQRQGSBZYJP-IBGZPJMESA-N 1 3 360.502 2.297 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN[C@@H](C)[C@@H]1C)c1cccc(OC)c1 ZINC000416918905 559338374 /nfs/dbraw/zinc/33/83/74/559338374.db2.gz JOVHAQQSEPXETC-TXPKVOOTSA-N 1 3 362.518 2.470 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1cccc(OC)c1 ZINC000416919948 559338409 /nfs/dbraw/zinc/33/84/09/559338409.db2.gz KLEVGLJACLJALQ-MISYRCLQSA-N 1 3 374.529 2.472 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000416967800 559340703 /nfs/dbraw/zinc/34/07/03/559340703.db2.gz HQSBQKVCLXBKKM-FQEVSTJZSA-N 1 3 374.529 2.301 20 0 FEADHO C[NH2+]CCC1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)CC1 ZINC000416971846 559341139 /nfs/dbraw/zinc/34/11/39/559341139.db2.gz FEFPOQYILWDOPJ-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CNCCC2(F)F)c1 ZINC000416989623 559342330 /nfs/dbraw/zinc/34/23/30/559342330.db2.gz VSTNQMJKYYVFIF-INIZCTEOSA-N 1 3 354.445 2.325 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)N1CCc2ccccc2C1 ZINC000417003907 559343308 /nfs/dbraw/zinc/34/33/08/559343308.db2.gz BZWZIFATQLUQGT-PWIZWCRZSA-N 1 3 358.530 2.450 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417178523 559351501 /nfs/dbraw/zinc/35/15/01/559351501.db2.gz DVOBTDMDDXVWCK-PCCBWWKXSA-N 1 3 366.509 2.214 20 0 FEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000417380482 559360031 /nfs/dbraw/zinc/36/00/31/559360031.db2.gz KLIZVWSYHSCAMH-LSDHHAIUSA-N 1 3 350.532 2.352 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417381932 559360189 /nfs/dbraw/zinc/36/01/89/559360189.db2.gz NEHIPLYCMBBFOW-SJORKVTESA-N 1 3 362.543 2.211 20 0 FEADHO COCCNCCNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000417381678 559360193 /nfs/dbraw/zinc/36/01/93/559360193.db2.gz VTEYXFAGLXZALL-UHFFFAOYSA-N 1 3 362.518 2.098 20 0 FEADHO C[C@@H]1CN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@@H](C)CN1 ZINC000417388808 559360437 /nfs/dbraw/zinc/36/04/37/559360437.db2.gz WDKUKLZZMDSCEI-CABCVRRESA-N 1 3 350.532 2.352 20 0 FEADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000417388811 559360511 /nfs/dbraw/zinc/36/05/11/559360511.db2.gz WDKUKLZZMDSCEI-LSDHHAIUSA-N 1 3 350.532 2.352 20 0 FEADHO CCN(CCNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000417429296 559361932 /nfs/dbraw/zinc/36/19/32/559361932.db2.gz MWMBUGAFZTUBCO-QFBILLFUSA-N 1 3 362.493 2.302 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N[C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000417495932 559364578 /nfs/dbraw/zinc/36/45/78/559364578.db2.gz VQZYNIGCTYUKSH-RTBURBONSA-N 1 3 362.518 2.137 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000417498277 559364668 /nfs/dbraw/zinc/36/46/68/559364668.db2.gz CQZFWIFNQKIIAH-QRVBRYPASA-N 1 3 362.518 2.123 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccccc1 ZINC000417515538 559365624 /nfs/dbraw/zinc/36/56/24/559365624.db2.gz LIUPKAGRFZHMSB-LMMKCTJWSA-N 1 3 362.518 2.088 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccccc1 ZINC000417515538 559365625 /nfs/dbraw/zinc/36/56/25/559365625.db2.gz LIUPKAGRFZHMSB-LMMKCTJWSA-N 1 3 362.518 2.088 20 0 FEADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000417547053 559366492 /nfs/dbraw/zinc/36/64/92/559366492.db2.gz GKFRWNFZROPVJY-OXJNMPFZSA-N 1 3 374.529 2.055 20 0 FEADHO C[C@H](CCC[NH3+])NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417582857 559367705 /nfs/dbraw/zinc/36/77/05/559367705.db2.gz JZAUCTXTGYZIJD-MRXNPFEDSA-N 1 3 354.539 2.227 20 0 FEADHO COC[C@@]1(CNC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000417622315 559369431 /nfs/dbraw/zinc/36/94/31/559369431.db2.gz IFQMUTISTZJRJW-JXFKEZNVSA-N 1 3 362.518 2.184 20 0 FEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000417696898 559372971 /nfs/dbraw/zinc/37/29/71/559372971.db2.gz VXHVSKMYEPQXFA-XJKSGUPXSA-N 1 3 354.445 2.494 20 0 FEADHO C[C@@H](CCNC(=O)N[C@H]1CNCCC1(F)F)[N@H+](C)Cc1ccccc1 ZINC000417817993 559377484 /nfs/dbraw/zinc/37/74/84/559377484.db2.gz RXWFSSGQSUVOSZ-HOCLYGCPSA-N 1 3 354.445 2.193 20 0 FEADHO C[C@@H](CCNC(=O)N[C@H]1CNCCC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000417817993 559377485 /nfs/dbraw/zinc/37/74/85/559377485.db2.gz RXWFSSGQSUVOSZ-HOCLYGCPSA-N 1 3 354.445 2.193 20 0 FEADHO C[C@H](CC[NH3+])NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000417820241 559377549 /nfs/dbraw/zinc/37/75/49/559377549.db2.gz HAMVLCJKILUXID-QGZVFWFLSA-N 1 3 362.518 2.094 20 0 FEADHO COC[C@]1(CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000417830399 559378160 /nfs/dbraw/zinc/37/81/60/559378160.db2.gz GTYAEVLVNUGBSZ-SLYNCCJLSA-N 1 3 374.529 2.107 20 0 FEADHO [NH3+]C1(CNC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CCCCCC1 ZINC000417987770 559385291 /nfs/dbraw/zinc/38/52/91/559385291.db2.gz ICHJZHIWVYONJD-LJQANCHMSA-N 1 3 374.529 2.104 20 0 FEADHO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000418007449 559386303 /nfs/dbraw/zinc/38/63/03/559386303.db2.gz QZXMKOHFVAOSQC-XHSDSOJGSA-N 1 3 365.547 2.055 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418012798 559386639 /nfs/dbraw/zinc/38/66/39/559386639.db2.gz MEXIBIMGMQMFJS-IJXRJRJASA-N 1 3 356.514 2.148 20 0 FEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418021813 559386989 /nfs/dbraw/zinc/38/69/89/559386989.db2.gz AHPMJHACOIITQW-AQNXPRMDSA-N 1 3 358.530 2.394 20 0 FEADHO COC[C@@]1(CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CCC[NH2+]1 ZINC000418047306 559387895 /nfs/dbraw/zinc/38/78/95/559387895.db2.gz SCIFCTPXUKZOEQ-RTWAWAEBSA-N 1 3 374.529 2.109 20 0 FEADHO CCCN(C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CC[NH2+]C1 ZINC000418072124 559389061 /nfs/dbraw/zinc/38/90/61/559389061.db2.gz JWEHXVRPCUPDPI-UXHICEINSA-N 1 3 374.529 2.061 20 0 FEADHO C[NH2+]C[C@H]1CCCN1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418107979 559390241 /nfs/dbraw/zinc/39/02/41/559390241.db2.gz QGMYDOOLCILRPF-SHARSMKWSA-N 1 3 362.440 2.185 20 0 FEADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418111586 559390573 /nfs/dbraw/zinc/39/05/73/559390573.db2.gz XYTJMHFMNBKADD-QVOMUQBLSA-N 1 3 374.451 2.328 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)NCCC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000418159450 559392248 /nfs/dbraw/zinc/39/22/48/559392248.db2.gz DKGIWTIJHRMQRI-GOSISDBHSA-N 1 3 374.529 2.491 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2CCC(OCCC[NH3+])CC2)CCN1Cc1ccccc1 ZINC000418184810 559393386 /nfs/dbraw/zinc/39/33/86/559393386.db2.gz ACWOMPCEXAPNBL-YLJYHZDGSA-N 1 3 374.529 2.189 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)N(C)C)cc1 ZINC000418195318 559393581 /nfs/dbraw/zinc/39/35/81/559393581.db2.gz GVHKWVDMQCRQRX-LZQZEXGQSA-N 1 3 362.518 2.374 20 0 FEADHO CSC1(CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CCN(C)CC1 ZINC000418192603 559393695 /nfs/dbraw/zinc/39/36/95/559393695.db2.gz AMIMBHHKUYSMTC-DLBZAZTESA-N 1 3 368.591 2.378 20 0 FEADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000418231875 559394825 /nfs/dbraw/zinc/39/48/25/559394825.db2.gz LWXRDXUOOVDRJF-RDJZCZTQSA-N 1 3 350.532 2.405 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCC[NH2+]C1CC1 ZINC000418305798 559397024 /nfs/dbraw/zinc/39/70/24/559397024.db2.gz ZVVWJPBHTAPSNL-LJQANCHMSA-N 1 3 359.518 2.220 20 0 FEADHO O=C(NCCCNCc1cccnc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000418321152 559397423 /nfs/dbraw/zinc/39/74/23/559397423.db2.gz ACHBICICMJSCDW-QUCCMNQESA-N 1 3 371.529 2.220 20 0 FEADHO O=C(NCCCNCc1cccnc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000418321152 559397424 /nfs/dbraw/zinc/39/74/24/559397424.db2.gz ACHBICICMJSCDW-QUCCMNQESA-N 1 3 371.529 2.220 20 0 FEADHO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCCN(CCCc2ccccc2)CC1 ZINC000418346647 559398522 /nfs/dbraw/zinc/39/85/22/559398522.db2.gz UWPGXFSSDWKNMS-FQEVSTJZSA-N 1 3 358.530 2.336 20 0 FEADHO O=C(NC[C@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418359405 559399027 /nfs/dbraw/zinc/39/90/27/559399027.db2.gz FDSGCGYCQLIXIQ-TZIWHRDSSA-N 1 3 356.514 2.436 20 0 FEADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418458155 559402525 /nfs/dbraw/zinc/40/25/25/559402525.db2.gz FHNVMKYXENTFLT-SCTDSRPQSA-N 1 3 368.566 2.425 20 0 FEADHO CCCC[C@H](C[NH3+])NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000418470486 559402858 /nfs/dbraw/zinc/40/28/58/559402858.db2.gz QYCKHFOAVRIYDM-GOSISDBHSA-N 1 3 361.534 2.247 20 0 FEADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1 ZINC000418484612 559403469 /nfs/dbraw/zinc/40/34/69/559403469.db2.gz GQKXNNFCGCSXTH-JKSUJKDBSA-N 1 3 360.502 2.101 20 0 FEADHO C[C@@H](CC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418522963 559404792 /nfs/dbraw/zinc/40/47/92/559404792.db2.gz JSNHYBMHYOZQSL-ZDUSSCGKSA-N 1 3 371.323 2.260 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418551461 559405911 /nfs/dbraw/zinc/40/59/11/559405911.db2.gz PWKAOXKKAHRMME-MRXNPFEDSA-N 1 3 354.445 2.180 20 0 FEADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418553211 559405927 /nfs/dbraw/zinc/40/59/27/559405927.db2.gz CGTDOUWHWJCTNC-GUYCJALGSA-N 1 3 354.445 2.036 20 0 FEADHO COC[C@@]1(CNC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CCC[NH2+]1 ZINC000418630029 559408668 /nfs/dbraw/zinc/40/86/68/559408668.db2.gz DSFMSIOFQOLROA-FQEVSTJZSA-N 1 3 368.566 2.297 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418723444 559412541 /nfs/dbraw/zinc/41/25/41/559412541.db2.gz JJQQECFEESHXLO-QFBILLFUSA-N 1 3 362.493 2.254 20 0 FEADHO CN(C(=O)N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418765513 559414805 /nfs/dbraw/zinc/41/48/05/559414805.db2.gz ORUVMFFXEHSCRD-SJORKVTESA-N 1 3 366.456 2.290 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418797343 559416494 /nfs/dbraw/zinc/41/64/94/559416494.db2.gz UVMNESDGRZRLFY-UKRRQHHQSA-N 1 3 354.445 2.165 20 0 FEADHO CCOCc1ccccc1CNC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333942 559481150 /nfs/dbraw/zinc/48/11/50/559481150.db2.gz TYLAOBKOUHKZQV-OALUTQOASA-N 1 3 359.514 2.161 20 0 FEADHO CCCOc1ccc(OCC[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000420389739 559484709 /nfs/dbraw/zinc/48/47/09/559484709.db2.gz YPLQFUZWGJQUOA-KRWDZBQOSA-N 1 3 359.474 2.242 20 0 FEADHO CCCOc1ccc(OCC[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000420389739 559484710 /nfs/dbraw/zinc/48/47/10/559484710.db2.gz YPLQFUZWGJQUOA-KRWDZBQOSA-N 1 3 359.474 2.242 20 0 FEADHO CN(C)C1(CNC(=O)NC2CCC([NH+](C)C)CC2)Cc2ccccc2C1 ZINC000420789919 559504586 /nfs/dbraw/zinc/50/45/86/559504586.db2.gz GHCGUQHTCJNHRJ-UHFFFAOYSA-N 1 3 358.530 2.258 20 0 FEADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000420807923 559505661 /nfs/dbraw/zinc/50/56/61/559505661.db2.gz WTXQHVPWQAPRPU-PMACEKPBSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000420807923 559505662 /nfs/dbraw/zinc/50/56/62/559505662.db2.gz WTXQHVPWQAPRPU-PMACEKPBSA-N 1 3 358.530 2.287 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)C[C@@H]2CCCN2C)CC1 ZINC000421003215 559518711 /nfs/dbraw/zinc/51/87/11/559518711.db2.gz NATYXLZLZXHSCC-NRFANRHFSA-N 1 3 372.557 2.102 20 0 FEADHO CN(C[C@@H]1CCCN1C)C(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000421711753 559550497 /nfs/dbraw/zinc/55/04/97/559550497.db2.gz PCWSWZFFPQJENF-SFHVURJKSA-N 1 3 369.513 2.278 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000422600270 559597212 /nfs/dbraw/zinc/59/72/12/559597212.db2.gz SNUCJMHFGBPMIW-IBGZPJMESA-N 1 3 374.529 2.234 20 0 FEADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C[C@H]1C[NH3+] ZINC000422633005 559598957 /nfs/dbraw/zinc/59/89/57/559598957.db2.gz HRACYGOZTDXADE-JHJVBQTASA-N 1 3 366.893 2.073 20 0 FEADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C[C@H]1CN ZINC000422633005 559598958 /nfs/dbraw/zinc/59/89/58/559598958.db2.gz HRACYGOZTDXADE-JHJVBQTASA-N 1 3 366.893 2.073 20 0 FEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C[C@H]1CN ZINC000422633005 559598959 /nfs/dbraw/zinc/59/89/59/559598959.db2.gz HRACYGOZTDXADE-JHJVBQTASA-N 1 3 366.893 2.073 20 0 FEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](Cc1ccccc1)CN1CCOCC1 ZINC000422701963 559603430 /nfs/dbraw/zinc/60/34/30/559603430.db2.gz CUCWPPHFIKTUGI-GHTZIAJQSA-N 1 3 368.525 2.443 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCN(c2ccccc2Br)C1 ZINC000422710096 559603766 /nfs/dbraw/zinc/60/37/66/559603766.db2.gz KXFDKSHSTTXAJN-YXWQFLTLSA-N 1 3 368.319 2.370 20 0 FEADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422779544 559606346 /nfs/dbraw/zinc/60/63/46/559606346.db2.gz BYZHFDKRRSKGOG-ZIAGYGMSSA-N 1 3 359.561 2.181 20 0 FEADHO CN1CCN(c2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cn2)CC1 ZINC000422815491 559607223 /nfs/dbraw/zinc/60/72/23/559607223.db2.gz BWZHRKTXGHMXNH-VAMGGRTRSA-N 1 3 357.546 2.234 20 0 FEADHO COc1cc(OC)c(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000422890848 559610069 /nfs/dbraw/zinc/61/00/69/559610069.db2.gz UATDVACUEKDIEG-OKZBNKHCSA-N 1 3 364.486 2.002 20 0 FEADHO CN(C)CCNC(=O)c1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422910385 559610895 /nfs/dbraw/zinc/61/08/95/559610895.db2.gz HZCTZNSLFSLRCL-QHAWAJNXSA-N 1 3 372.557 2.378 20 0 FEADHO CCC[C@@H](N[C@H](CCC[NH3+])COC)C(=O)N1CCc2sccc2C1 ZINC000422911309 559610981 /nfs/dbraw/zinc/61/09/81/559610981.db2.gz SQRRPDILLSAUIR-HZPDHXFCSA-N 1 3 353.532 2.145 20 0 FEADHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cnccc1N ZINC000422913572 559611106 /nfs/dbraw/zinc/61/11/06/559611106.db2.gz QHPZJMFKSNJREO-INIZCTEOSA-N 1 3 367.497 2.171 20 0 FEADHO CC[C@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422913867 559611155 /nfs/dbraw/zinc/61/11/55/559611155.db2.gz RACWRVRBLBRHGX-PMACEKPBSA-N 1 3 358.530 2.132 20 0 FEADHO CCOC(=O)C1([C@H](C)N[C@@H](COC)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000422920104 559611313 /nfs/dbraw/zinc/61/13/13/559611313.db2.gz LTJRRQSOENWZSY-YOEHRIQHSA-N 1 3 352.450 2.424 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422926779 559611465 /nfs/dbraw/zinc/61/14/65/559611465.db2.gz DZIUYBJDBLMGDE-SJLPKXTDSA-N 1 3 353.532 2.324 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CNC2CCC(C[NH3+])CC2)s1 ZINC000422931981 559611760 /nfs/dbraw/zinc/61/17/60/559611760.db2.gz DIWPBFLEYWCUEC-UHFFFAOYSA-N 1 3 359.561 2.386 20 0 FEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000422941491 559612343 /nfs/dbraw/zinc/61/23/43/559612343.db2.gz OSWDSHBZJJRWQK-WMZOPIPTSA-N 1 3 351.516 2.078 20 0 FEADHO O=C(CCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422959700 559613117 /nfs/dbraw/zinc/61/31/17/559613117.db2.gz TZHJMLDVSZVYMA-GBESFXJTSA-N 1 3 357.498 2.103 20 0 FEADHO CCCCn1cc(CN[C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)c(C)n1 ZINC000423015867 559615049 /nfs/dbraw/zinc/61/50/49/559615049.db2.gz LNUZGMSQNKEIEU-MRXNPFEDSA-N 1 3 350.507 2.403 20 0 FEADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423023785 559615457 /nfs/dbraw/zinc/61/54/57/559615457.db2.gz IARUQTFSHNRAGN-HKBOAZHASA-N 1 3 366.509 2.010 20 0 FEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1cnc(SC2CCCC2)nc1 ZINC000423136339 559620547 /nfs/dbraw/zinc/62/05/47/559620547.db2.gz PCXYSDMVTVARJV-XKQJLSEDSA-N 1 3 350.532 2.396 20 0 FEADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423136339 559620548 /nfs/dbraw/zinc/62/05/48/559620548.db2.gz PCXYSDMVTVARJV-XKQJLSEDSA-N 1 3 350.532 2.396 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2c(F)cccc2-n2cccn2)CC[NH2+]CC1 ZINC000423149094 559620945 /nfs/dbraw/zinc/62/09/45/559620945.db2.gz ALESUXYDDRSRNT-HNNXBMFYSA-N 1 3 374.460 2.422 20 0 FEADHO CCCOc1c(OC)cc(CCN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1OC ZINC000423158109 559621206 /nfs/dbraw/zinc/62/12/06/559621206.db2.gz WGUREWRYQVCEHH-DJIMGWMZSA-N 1 3 366.502 2.377 20 0 FEADHO CCCOc1c(OC)cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)cc1OC ZINC000423158109 559621207 /nfs/dbraw/zinc/62/12/07/559621207.db2.gz WGUREWRYQVCEHH-DJIMGWMZSA-N 1 3 366.502 2.377 20 0 FEADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423212048 559622992 /nfs/dbraw/zinc/62/29/92/559622992.db2.gz ZMNWFFIGWKWSCY-LLVKDONJSA-N 1 3 365.371 2.445 20 0 FEADHO COC[C@]1(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]C1 ZINC000423405412 559627899 /nfs/dbraw/zinc/62/78/99/559627899.db2.gz ZJRLNRBNRWZSJO-CUWPLCDZSA-N 1 3 359.514 2.124 20 0 FEADHO CN(C)CCN(CC1CCCCC1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000423755732 559638412 /nfs/dbraw/zinc/63/84/12/559638412.db2.gz FTLGMKPOGISUPG-GOSISDBHSA-N 1 3 361.534 2.392 20 0 FEADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000423793809 559639663 /nfs/dbraw/zinc/63/96/63/559639663.db2.gz JHIBEBIVYDBCPC-QUCCMNQESA-N 1 3 352.482 2.104 20 0 FEADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000423904966 559644761 /nfs/dbraw/zinc/64/47/61/559644761.db2.gz YJNWSYXYVVDHJJ-MOPGFXCFSA-N 1 3 357.498 2.338 20 0 FEADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000423976705 559648731 /nfs/dbraw/zinc/64/87/31/559648731.db2.gz RPRFTEKXFXVAJF-QRTARXTBSA-N 1 3 355.404 2.389 20 0 FEADHO CC[C@H](C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1)N(CC)CC ZINC000424025687 559651769 /nfs/dbraw/zinc/65/17/69/559651769.db2.gz ZWABMABGNNRJKU-LJQANCHMSA-N 1 3 360.546 2.217 20 0 FEADHO COc1ccc(Cl)cc1CNC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302065 559661035 /nfs/dbraw/zinc/66/10/35/559661035.db2.gz YVMLTCHVPOYQQQ-CQSZACIVSA-N 1 3 365.905 2.429 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(CCN(C)C)CC2CCCCC2)c1 ZINC000424471220 559666563 /nfs/dbraw/zinc/66/65/63/559666563.db2.gz SNDUMACXMPAMCV-UHFFFAOYSA-N 1 3 374.529 2.363 20 0 FEADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000425424808 559701536 /nfs/dbraw/zinc/70/15/36/559701536.db2.gz NUKMWVKCVWFHNQ-UHFFFAOYSA-N 1 3 367.497 2.033 20 0 FEADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427305698 559752944 /nfs/dbraw/zinc/75/29/44/559752944.db2.gz WPHHPHWMDQSAOM-FUHWJXTLSA-N 1 3 372.513 2.102 20 0 FEADHO CN1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000429029769 559789256 /nfs/dbraw/zinc/78/92/56/559789256.db2.gz PNFIIVUNZDAXND-NVXWUHKLSA-N 1 3 369.303 2.216 20 0 FEADHO CN1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000429029769 559789257 /nfs/dbraw/zinc/78/92/57/559789257.db2.gz PNFIIVUNZDAXND-NVXWUHKLSA-N 1 3 369.303 2.216 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CCC(OC)CC1 ZINC000429312539 559795719 /nfs/dbraw/zinc/79/57/19/559795719.db2.gz OVRARTNGXAGDTA-XBMUEBEBSA-N 1 3 368.566 2.249 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CCC(OC)CC1 ZINC000429312539 559795720 /nfs/dbraw/zinc/79/57/20/559795720.db2.gz OVRARTNGXAGDTA-XBMUEBEBSA-N 1 3 368.566 2.249 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000432938148 559868071 /nfs/dbraw/zinc/86/80/71/559868071.db2.gz JSQSVDYYPNLZAI-UHFFFAOYSA-N 1 3 361.511 2.288 20 0 FEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433405533 559880376 /nfs/dbraw/zinc/88/03/76/559880376.db2.gz GSSVHUMEXOICIE-ROUUACIJSA-N 1 3 354.539 2.051 20 0 FEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433405533 559880377 /nfs/dbraw/zinc/88/03/77/559880377.db2.gz GSSVHUMEXOICIE-ROUUACIJSA-N 1 3 354.539 2.051 20 0 FEADHO C[NH+](C)CCCOC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000434356302 559898649 /nfs/dbraw/zinc/89/86/49/559898649.db2.gz VMLBWLKTZZGECV-GOSISDBHSA-N 1 3 366.550 2.146 20 0 FEADHO CC1(C)Cc2cccc(CN3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)c2O1 ZINC000435379322 559921823 /nfs/dbraw/zinc/92/18/23/559921823.db2.gz LZZONTNYGMNWRC-LPHOPBHVSA-N 1 3 371.525 2.480 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000436228796 559938123 /nfs/dbraw/zinc/93/81/23/559938123.db2.gz BUQXZQLPBCOAJM-FCHUYYIVSA-N 1 3 359.558 2.378 20 0 FEADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(N2CCCC2=O)c1 ZINC000442873704 560060387 /nfs/dbraw/zinc/06/03/87/560060387.db2.gz LDKULKRKMOJNCR-KRWDZBQOSA-N 1 3 358.530 2.490 20 0 FEADHO COCCc1nc(C)c([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)s1 ZINC000442892732 560061232 /nfs/dbraw/zinc/06/12/32/560061232.db2.gz VYDWOVSCDFFEGO-AWEZNQCLSA-N 1 3 354.564 2.317 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000443060684 560068344 /nfs/dbraw/zinc/06/83/44/560068344.db2.gz PPMNNSXHLSLIQH-CVEARBPZSA-N 1 3 363.502 2.112 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CCOCC1)c1ccccc1 ZINC000444175397 560104159 /nfs/dbraw/zinc/10/41/59/560104159.db2.gz JZJRUCZWRLWEKZ-HQRMLTQVSA-N 1 3 357.498 2.002 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CCOCC1)c1ccccc1 ZINC000444175399 560104339 /nfs/dbraw/zinc/10/43/39/560104339.db2.gz JZJRUCZWRLWEKZ-QRFRQXIXSA-N 1 3 357.498 2.002 20 0 FEADHO C[NH+](C)C1(CNC(=O)NCC2(N3CCSCC3)CCCC2)CCC1 ZINC000445876768 560136043 /nfs/dbraw/zinc/13/60/43/560136043.db2.gz ZLONQMYECBDPSQ-UHFFFAOYSA-N 1 3 354.564 2.132 20 0 FEADHO C[NH+](C)C1(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CCCCCC1 ZINC000446290981 560143680 /nfs/dbraw/zinc/14/36/80/560143680.db2.gz FJRKVBQAKPTPQW-GQIGUUNPSA-N 1 3 351.535 2.290 20 0 FEADHO CCNC(=O)N1CC[C@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449181237 560219341 /nfs/dbraw/zinc/21/93/41/560219341.db2.gz FZGZGAUPBLHLMC-XLIONFOSSA-N 1 3 358.530 2.475 20 0 FEADHO CCC[NH+]1CCN(c2ccccc2CN2CC[C@@](O)(C(F)F)C2)CC1 ZINC000449467467 560231328 /nfs/dbraw/zinc/23/13/28/560231328.db2.gz JIBYYAVPBOOTJR-IBGZPJMESA-N 1 3 353.457 2.421 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)c1ccccc1 ZINC000451425990 560306382 /nfs/dbraw/zinc/30/63/82/560306382.db2.gz VLSQVNUBVNKHET-UAFMIMERSA-N 1 3 359.514 2.031 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)c1ccccc1 ZINC000451425990 560306383 /nfs/dbraw/zinc/30/63/83/560306383.db2.gz VLSQVNUBVNKHET-UAFMIMERSA-N 1 3 359.514 2.031 20 0 FEADHO O=C(NC[C@H]1CCCN1CCCO)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000452369820 560360731 /nfs/dbraw/zinc/36/07/31/560360731.db2.gz SCVRUFKPEBXIFC-HXUWFJFHSA-N 1 3 359.514 2.249 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCCN(CCCO)C2)cc1)C1CC1 ZINC000452379320 560361948 /nfs/dbraw/zinc/36/19/48/560361948.db2.gz ZZGSTFMWDFLCCU-LJQANCHMSA-N 1 3 359.514 2.248 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCCN(CCCO)C2)cc1)C1CC1 ZINC000452379320 560361949 /nfs/dbraw/zinc/36/19/49/560361949.db2.gz ZZGSTFMWDFLCCU-LJQANCHMSA-N 1 3 359.514 2.248 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)Cc1ccccc1 ZINC000457469323 560568732 /nfs/dbraw/zinc/56/87/32/560568732.db2.gz CNFCWVDMHIUGLL-TZIWHRDSSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)Cc1ccccc1 ZINC000457469323 560568733 /nfs/dbraw/zinc/56/87/33/560568733.db2.gz CNFCWVDMHIUGLL-TZIWHRDSSA-N 1 3 358.530 2.287 20 0 FEADHO CCC(CC)[C@@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)[NH+]1CCCC1 ZINC000457612225 560577858 /nfs/dbraw/zinc/57/78/58/560577858.db2.gz LDSXASFPZBNGGW-RBUKOAKNSA-N 1 3 368.566 2.033 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000458355807 560616712 /nfs/dbraw/zinc/61/67/12/560616712.db2.gz JTIISYGJCJSPNM-UHFFFAOYSA-N 1 3 356.555 2.295 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCC1CCOCC1 ZINC000458886918 560654054 /nfs/dbraw/zinc/65/40/54/560654054.db2.gz NPDQNKGJMJLDKE-IBGZPJMESA-N 1 3 368.566 2.251 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCC1CCOCC1 ZINC000458886918 560654055 /nfs/dbraw/zinc/65/40/55/560654055.db2.gz NPDQNKGJMJLDKE-IBGZPJMESA-N 1 3 368.566 2.251 20 0 FEADHO CC[N@H+](CCC1CCN(CCN2C(=O)N[C@H](C)C2=O)CC1)CC(C)C ZINC000459472946 560688284 /nfs/dbraw/zinc/68/82/84/560688284.db2.gz OYMRFHDEPYJGRG-MRXNPFEDSA-N 1 3 352.523 2.007 20 0 FEADHO CC[N@@H+](CCC1CCN(CCN2C(=O)N[C@H](C)C2=O)CC1)CC(C)C ZINC000459472946 560688285 /nfs/dbraw/zinc/68/82/85/560688285.db2.gz OYMRFHDEPYJGRG-MRXNPFEDSA-N 1 3 352.523 2.007 20 0 FEADHO C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000461089437 560761184 /nfs/dbraw/zinc/76/11/84/560761184.db2.gz QQLQNVPVGRTGOV-UZLBHIALSA-N 1 3 350.503 2.455 20 0 FEADHO COCCCN(C)CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000465450456 560865480 /nfs/dbraw/zinc/86/54/80/560865480.db2.gz CRSBNKYTUYRXHY-UHFFFAOYSA-N 1 3 368.566 2.443 20 0 FEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000465877269 560874628 /nfs/dbraw/zinc/87/46/28/560874628.db2.gz QPYFSHZMAUJHAW-RTBURBONSA-N 1 3 368.566 2.393 20 0 FEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000465877269 560874629 /nfs/dbraw/zinc/87/46/29/560874629.db2.gz QPYFSHZMAUJHAW-RTBURBONSA-N 1 3 368.566 2.393 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CCN1C ZINC000465896981 560875491 /nfs/dbraw/zinc/87/54/91/560875491.db2.gz SKGKYGXJQBFQRT-SJLPKXTDSA-N 1 3 362.518 2.299 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000466033636 560878708 /nfs/dbraw/zinc/87/87/08/560878708.db2.gz CTPSEBQTQBYZHN-QAPCUYQASA-N 1 3 350.482 2.382 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000466033636 560878709 /nfs/dbraw/zinc/87/87/09/560878709.db2.gz CTPSEBQTQBYZHN-QAPCUYQASA-N 1 3 350.482 2.382 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000466670480 560892560 /nfs/dbraw/zinc/89/25/60/560892560.db2.gz RYACERFAZBWACK-FUHIMQAGSA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000466670480 560892561 /nfs/dbraw/zinc/89/25/61/560892561.db2.gz RYACERFAZBWACK-FUHIMQAGSA-N 1 3 368.566 2.248 20 0 FEADHO CC(C)C[C@H]([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C(=O)NCCN(C)C ZINC000467360004 560908998 /nfs/dbraw/zinc/90/89/98/560908998.db2.gz REXPLRKFRSCJLR-MKXGPGLRSA-N 1 3 353.551 2.264 20 0 FEADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cnc(-c3ccsc3)s2)C1 ZINC000470008467 560971951 /nfs/dbraw/zinc/97/19/51/560971951.db2.gz KWGHTBUNGVJOGX-GFCCVEGCSA-N 1 3 350.513 2.159 20 0 FEADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000470016270 560972053 /nfs/dbraw/zinc/97/20/53/560972053.db2.gz SNPGANCLMXJDCT-IBGZPJMESA-N 1 3 362.518 2.416 20 0 FEADHO Cc1ccc([C@H](CNC(=O)NCCOCC[NH+](C)C)N2CCCC2)cc1 ZINC000471640604 561009424 /nfs/dbraw/zinc/00/94/24/561009424.db2.gz AKVXROTZERZVOW-IBGZPJMESA-N 1 3 362.518 2.009 20 0 FEADHO CC(C)OCC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000472174082 561020287 /nfs/dbraw/zinc/02/02/87/561020287.db2.gz PZIIIPXXZASZMI-GGPKGHCWSA-N 1 3 356.551 2.374 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000473046199 561041158 /nfs/dbraw/zinc/04/11/58/561041158.db2.gz ZHPRQWRJWWSTLN-MOPGFXCFSA-N 1 3 368.566 2.249 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000474216475 561068591 /nfs/dbraw/zinc/06/85/91/561068591.db2.gz OERXTXTYESVSQD-OAQYLSRUSA-N 1 3 372.557 2.182 20 0 FEADHO CN1CCC[C@@H]1CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000476737750 561127430 /nfs/dbraw/zinc/12/74/30/561127430.db2.gz SDIFBCBDHZSEHB-GOSISDBHSA-N 1 3 360.502 2.055 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@]1(C)Br ZINC000528335769 562323288 /nfs/dbraw/zinc/32/32/88/562323288.db2.gz OSTCPGLTWDWHEF-IJEWVQPXSA-N 1 3 360.340 2.034 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@]1(C)Br ZINC000528335769 562323289 /nfs/dbraw/zinc/32/32/89/562323289.db2.gz OSTCPGLTWDWHEF-IJEWVQPXSA-N 1 3 360.340 2.034 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000528750511 562345737 /nfs/dbraw/zinc/34/57/37/562345737.db2.gz ANNXZHPZJKWRBB-QLDGJZPUSA-N 1 3 373.541 2.477 20 0 FEADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240167 562403688 /nfs/dbraw/zinc/40/36/88/562403688.db2.gz YUQSKDWKROJCOY-PXNSSMCTSA-N 1 3 359.514 2.124 20 0 FEADHO C[C@@H](N[C@@H]1CCSC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000530471830 562412504 /nfs/dbraw/zinc/41/25/04/562412504.db2.gz ZTIZXNGFEIWYMN-GDBMZVCRSA-N 1 3 371.572 2.073 20 0 FEADHO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000530826378 562425351 /nfs/dbraw/zinc/42/53/51/562425351.db2.gz DLBAVPYPGRKTEV-GHTZIAJQSA-N 1 3 359.514 2.004 20 0 FEADHO C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000530826378 562425352 /nfs/dbraw/zinc/42/53/52/562425352.db2.gz DLBAVPYPGRKTEV-GHTZIAJQSA-N 1 3 359.514 2.004 20 0 FEADHO CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000530895206 562427773 /nfs/dbraw/zinc/42/77/73/562427773.db2.gz RUSILNKGNLCEDB-SFHVURJKSA-N 1 3 356.580 2.186 20 0 FEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000530895206 562427774 /nfs/dbraw/zinc/42/77/74/562427774.db2.gz RUSILNKGNLCEDB-SFHVURJKSA-N 1 3 356.580 2.186 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000549807854 562639905 /nfs/dbraw/zinc/63/99/05/562639905.db2.gz OFJKUWVRPHJPAJ-YLJYHZDGSA-N 1 3 359.514 2.134 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000549807854 562639906 /nfs/dbraw/zinc/63/99/06/562639906.db2.gz OFJKUWVRPHJPAJ-YLJYHZDGSA-N 1 3 359.514 2.134 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C)c(C(=O)OC)[nH]2)[C@@H](C)C1 ZINC000602546916 567990224 /nfs/dbraw/zinc/99/02/24/567990224.db2.gz VBRPHVKARXKAFV-DOTOQJQBSA-N 1 3 351.491 2.336 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C(=O)OC)c(C)[nH]2)[C@@H](C)C1 ZINC000602547393 567990274 /nfs/dbraw/zinc/99/02/74/567990274.db2.gz YBNFQODFRGAKGK-KSSFIOAISA-N 1 3 351.491 2.336 20 0 FEADHO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000563093173 568117823 /nfs/dbraw/zinc/11/78/23/568117823.db2.gz XUHCUPVSSMCMDJ-WOJBJXKFSA-N 1 3 350.466 2.141 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCCN3CCN(c4ccccc4)CC3)C[C@H]21 ZINC000563110016 568195474 /nfs/dbraw/zinc/19/54/74/568195474.db2.gz ZNOOISIZTRRLEK-CEWLAPEOSA-N 1 3 370.541 2.175 20 0 FEADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637001088 568298003 /nfs/dbraw/zinc/29/80/03/568298003.db2.gz GNGQGQDVRHKJFJ-GOSISDBHSA-N 1 3 359.518 2.472 20 0 FEADHO COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826157559 608378040 /nfs/dbraw/zinc/37/80/40/608378040.db2.gz AKWBNUXCEQFGJV-UHFFFAOYSA-N 1 3 372.517 2.437 20 0 FEADHO COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826157559 608378042 /nfs/dbraw/zinc/37/80/42/608378042.db2.gz AKWBNUXCEQFGJV-UHFFFAOYSA-N 1 3 372.517 2.437 20 0 FEADHO COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826157559 608378043 /nfs/dbraw/zinc/37/80/43/608378043.db2.gz AKWBNUXCEQFGJV-UHFFFAOYSA-N 1 3 372.517 2.437 20 0 FEADHO COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826157559 608378046 /nfs/dbraw/zinc/37/80/46/608378046.db2.gz AKWBNUXCEQFGJV-UHFFFAOYSA-N 1 3 372.517 2.437 20 0 FEADHO CSC[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000563000305 674833458 /nfs/dbraw/zinc/83/34/58/674833458.db2.gz KBMRJYWDCDSNKR-RBUKOAKNSA-N 1 3 364.555 2.229 20 0 FEADHO CC[C@H]1CO[C@@H](C)CN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000563388617 674881343 /nfs/dbraw/zinc/88/13/43/674881343.db2.gz ZDAWVUATIWJDPR-WMZOPIPTSA-N 1 3 351.535 2.209 20 0 FEADHO Cc1cccc(C)c1OC[C@@H](O)CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000563618162 674918149 /nfs/dbraw/zinc/91/81/49/674918149.db2.gz ODRXWNASZYZTOO-OALUTQOASA-N 1 3 350.503 2.134 20 0 FEADHO Cc1cccc(C)c1OC[C@@H](O)CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000563618162 674918152 /nfs/dbraw/zinc/91/81/52/674918152.db2.gz ODRXWNASZYZTOO-OALUTQOASA-N 1 3 350.503 2.134 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOC3CCCC3)CC2)CC1 ZINC000565181315 675100296 /nfs/dbraw/zinc/10/02/96/675100296.db2.gz LOOGYSNNXAYNCL-UHFFFAOYSA-N 1 3 351.535 2.258 20 0 FEADHO COc1cccc2c1CCC[C@@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000570792717 670770210 /nfs/dbraw/zinc/77/02/10/670770210.db2.gz JSQRNYRVPLYALL-DOTOQJQBSA-N 1 3 357.420 2.498 20 0 FEADHO CS(=O)(=O)c1ccc(OCCCN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000572001508 670949852 /nfs/dbraw/zinc/94/98/52/670949852.db2.gz XILBAFMYSIQIRA-IRXDYDNUSA-N 1 3 366.527 2.181 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H](OC)C3(C)C)CC2)CC1 ZINC000574290163 671223621 /nfs/dbraw/zinc/22/36/21/671223621.db2.gz NVUVOMUUXACZIJ-MSOLQXFVSA-N 1 3 351.535 2.112 20 0 FEADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H](O)C(C)C ZINC000574927044 671286842 /nfs/dbraw/zinc/28/68/42/671286842.db2.gz VTDNJZUDCLGODO-RBUKOAKNSA-N 1 3 353.551 2.094 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOCCC(C)C)CC2)CC1 ZINC000578376171 671660753 /nfs/dbraw/zinc/66/07/53/671660753.db2.gz SIZKRXXKOZRGMW-UHFFFAOYSA-N 1 3 353.551 2.362 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)[C@@H](OC)C3CC3)CC2)CC1 ZINC000580094584 671782865 /nfs/dbraw/zinc/78/28/65/671782865.db2.gz PIATZTOJIXGGPI-HNAYVOBHSA-N 1 3 351.535 2.112 20 0 FEADHO Cc1ccc(NC(=O)[C@H](C)N(C)CCCN(C)CC[NH+](C)C)cc1F ZINC000582629187 672019524 /nfs/dbraw/zinc/01/95/24/672019524.db2.gz IUQYBRZCQUCMJN-INIZCTEOSA-N 1 3 352.498 2.276 20 0 FEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000583141772 672067222 /nfs/dbraw/zinc/06/72/22/672067222.db2.gz WVGXJIGFDFFBHM-JZXOWHBKSA-N 1 3 353.551 2.358 20 0 FEADHO COCCC[NH+]1CCC(NC[C@@H](O)COc2c(C)cccc2C)CC1 ZINC000584405482 672185043 /nfs/dbraw/zinc/18/50/43/672185043.db2.gz JOSYHCHHXKXCQC-LJQANCHMSA-N 1 3 350.503 2.134 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000154217996 672212534 /nfs/dbraw/zinc/21/25/34/672212534.db2.gz DOHQOBDALOGLTH-OAHLLOKOSA-N 1 3 367.925 2.069 20 0 FEADHO CC(C)CN1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261812486 672903571 /nfs/dbraw/zinc/90/35/71/672903571.db2.gz RZJYVZNIOIBKGY-QGZVFWFLSA-N 1 3 368.319 2.423 20 0 FEADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000327491669 673060708 /nfs/dbraw/zinc/06/07/08/673060708.db2.gz NZCGRWUOKAUSEB-NVXWUHKLSA-N 1 3 355.404 2.482 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418595624 673192115 /nfs/dbraw/zinc/19/21/15/673192115.db2.gz XACJDWKCQCAITM-CVEARBPZSA-N 1 3 354.445 2.308 20 0 FEADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000486635627 673324331 /nfs/dbraw/zinc/32/43/31/673324331.db2.gz XQMXQVVYGHHOMG-YJBOKZPZSA-N 1 3 350.507 2.327 20 0 FEADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000486635625 673324474 /nfs/dbraw/zinc/32/44/74/673324474.db2.gz XQMXQVVYGHHOMG-MAUKXSAKSA-N 1 3 350.507 2.327 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C[C@@H]1N(C)C ZINC000597444785 673478444 /nfs/dbraw/zinc/47/84/44/673478444.db2.gz CERCAQRCCGWDJB-GBESFXJTSA-N 1 3 361.555 2.370 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C[C@H]1N(C)C ZINC000597444787 673478563 /nfs/dbraw/zinc/47/85/63/673478563.db2.gz CERCAQRCCGWDJB-IPMKNSEASA-N 1 3 361.555 2.370 20 0 FEADHO C[C@H]1CN(CC2CC[NH+](CCC(=O)N3CCCCC3)CC2)C[C@H](C)O1 ZINC000543844542 673674040 /nfs/dbraw/zinc/67/40/40/673674040.db2.gz SBEALLONSKKKII-ROUUACIJSA-N 1 3 351.535 2.210 20 0 FEADHO CN1CCN(CC[NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1(C)C ZINC000819287658 675277294 /nfs/dbraw/zinc/27/72/94/675277294.db2.gz QIIRUBWUWYSHOP-MRXNPFEDSA-N 1 3 370.335 2.098 20 0 FEADHO CC(C)CC(=O)CCN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000827930437 675787670 /nfs/dbraw/zinc/78/76/70/675787670.db2.gz KUBFEYNEHQXDJS-UHFFFAOYSA-N 1 3 353.551 2.408 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CSc2ccccc2O1 ZINC000617503663 676288466 /nfs/dbraw/zinc/28/84/66/676288466.db2.gz TVQSHEIYSIELSM-JKSUJKDBSA-N 1 3 365.543 2.318 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CSc2ccccc2O1 ZINC000617503663 676288469 /nfs/dbraw/zinc/28/84/69/676288469.db2.gz TVQSHEIYSIELSM-JKSUJKDBSA-N 1 3 365.543 2.318 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000617505515 676289067 /nfs/dbraw/zinc/28/90/67/676289067.db2.gz FYFBFDWBSGWPJD-CWRNSKLLSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000617505515 676289068 /nfs/dbraw/zinc/28/90/68/676289068.db2.gz FYFBFDWBSGWPJD-CWRNSKLLSA-N 1 3 353.457 2.457 20 0 FEADHO CO[C@@](C)(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1F ZINC000617506946 676289211 /nfs/dbraw/zinc/28/92/11/676289211.db2.gz DCBOGYXSTQTGIX-HNAYVOBHSA-N 1 3 353.482 2.076 20 0 FEADHO CO[C@@](C)(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1F ZINC000617506946 676289214 /nfs/dbraw/zinc/28/92/14/676289214.db2.gz DCBOGYXSTQTGIX-HNAYVOBHSA-N 1 3 353.482 2.076 20 0 FEADHO COc1cc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1OC ZINC000617506717 676289521 /nfs/dbraw/zinc/28/95/21/676289521.db2.gz WXZRWUFQOKTBAC-HNNXBMFYSA-N 1 3 351.491 2.014 20 0 FEADHO COc1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1OC ZINC000617506717 676289525 /nfs/dbraw/zinc/28/95/25/676289525.db2.gz WXZRWUFQOKTBAC-HNNXBMFYSA-N 1 3 351.491 2.014 20 0 FEADHO Cc1nn(C(C)C)c(C)c1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507996 676289671 /nfs/dbraw/zinc/28/96/71/676289671.db2.gz RCZUDDWUTGAEHO-HNNXBMFYSA-N 1 3 351.539 2.012 20 0 FEADHO Cc1nn(C(C)C)c(C)c1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507996 676289673 /nfs/dbraw/zinc/28/96/73/676289673.db2.gz RCZUDDWUTGAEHO-HNNXBMFYSA-N 1 3 351.539 2.012 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000629419594 676854283 /nfs/dbraw/zinc/85/42/83/676854283.db2.gz PZFNYHMPXLSBGK-BZSNNMDCSA-N 1 3 351.535 2.351 20 0 FEADHO CN(CCOCC[NH3+])CCOc1ccc(Cl)cc1Br ZINC000629578418 676860804 /nfs/dbraw/zinc/86/08/04/676860804.db2.gz CFAPTLDZWYSRGY-UHFFFAOYSA-N 1 3 351.672 2.388 20 0 FEADHO CNS(=O)(=O)c1ccc([C@H](C)NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000635010468 677087383 /nfs/dbraw/zinc/08/73/83/677087383.db2.gz LXNFBQWBHWYCJV-AWEZNQCLSA-N 1 3 359.495 2.091 20 0 FEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1coc(C(F)(F)F)n1 ZINC000635464247 677099653 /nfs/dbraw/zinc/09/96/53/677099653.db2.gz HGLNZCNFFHQJAB-LBPRGKRZSA-N 1 3 362.396 2.182 20 0 FEADHO CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635896857 677109575 /nfs/dbraw/zinc/10/95/75/677109575.db2.gz YATPBOHVLZLZPN-KRWDZBQOSA-N 1 3 353.551 2.048 20 0 FEADHO C[C@H](C[NH2+]Cc1nc2cc(Br)ccc2o1)N1CCN(C)CC1 ZINC000638568960 677147133 /nfs/dbraw/zinc/14/71/33/677147133.db2.gz HQPWFASLLKUWEY-GFCCVEGCSA-N 1 3 367.291 2.316 20 0 FEADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000638770272 677149942 /nfs/dbraw/zinc/14/99/42/677149942.db2.gz LSMWJESMXIVYOZ-LXZKKBNFSA-N 1 3 355.404 2.308 20 0 FEADHO [NH3+]CC1(CCN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000650746502 677388345 /nfs/dbraw/zinc/38/83/45/677388345.db2.gz DMPGBVAESQIZHE-CYBMUJFWSA-N 1 3 373.316 2.386 20 0 FEADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348148 677480653 /nfs/dbraw/zinc/48/06/53/677480653.db2.gz VZQOXNLALUIATC-BCYZHJNNSA-N 1 3 351.535 2.242 20 0 FEADHO CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000655924668 677692942 /nfs/dbraw/zinc/69/29/42/677692942.db2.gz NWPCEGBGGZPZPQ-GJZGRUSLSA-N 1 3 358.408 2.182 20 0 FEADHO CCN1CCN(CCC[NH2+]Cc2cncc(Br)c2C)CC1 ZINC000657308048 677993972 /nfs/dbraw/zinc/99/39/72/677993972.db2.gz LSUXJOIQRIGHKH-UHFFFAOYSA-N 1 3 355.324 2.270 20 0 FEADHO CN(C)CC[NH+]1CCC(CNCc2c(F)cncc2Br)CC1 ZINC000657348238 677995692 /nfs/dbraw/zinc/99/56/92/677995692.db2.gz PBYAGDCCWVIRSS-UHFFFAOYSA-N 1 3 373.314 2.346 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)c1cccc2c1CC[NH2+]C2 ZINC000662685893 678651062 /nfs/dbraw/zinc/65/10/62/678651062.db2.gz ZZZNBCAZMVMSAE-UHFFFAOYSA-N 1 3 359.539 2.424 20 0 FEADHO [NH3+][C@H]1CCC[C@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000669573941 679243499 /nfs/dbraw/zinc/24/34/99/679243499.db2.gz POHYHBYKPLVSHJ-HESLUPGFSA-N 1 3 362.440 2.361 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000669573946 679243513 /nfs/dbraw/zinc/24/35/13/679243513.db2.gz RTNIUMGJYMUNOY-GALLPEHLSA-N 1 3 362.440 2.089 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)COCc2cccc(OC)c2)[C@H](C)C1 ZINC000749345737 680041572 /nfs/dbraw/zinc/04/15/72/680041572.db2.gz DZVCRPMTXNDKQZ-KPFFTGBYSA-N 1 3 350.503 2.235 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)COCc2cccc(OC)c2)[C@H](C)C1 ZINC000749345737 680041576 /nfs/dbraw/zinc/04/15/76/680041576.db2.gz DZVCRPMTXNDKQZ-KPFFTGBYSA-N 1 3 350.503 2.235 20 0 FEADHO Cc1ncc(CN(C)C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001017132908 680070744 /nfs/dbraw/zinc/07/07/44/680070744.db2.gz MGRWIBIEUSUTAP-UWWQBHOKSA-N 1 3 364.559 2.462 20 0 FEADHO Cc1ncc(CN(C)C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001017132908 680070747 /nfs/dbraw/zinc/07/07/47/680070747.db2.gz MGRWIBIEUSUTAP-UWWQBHOKSA-N 1 3 364.559 2.462 20 0 FEADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=S)NC1CCN(C)CC1 ZINC000749828929 680078045 /nfs/dbraw/zinc/07/80/45/680078045.db2.gz KGDZMKFPCICIOB-LPHOPBHVSA-N 1 3 360.571 2.455 20 0 FEADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=S)NC1CCN(C)CC1 ZINC000749828929 680078049 /nfs/dbraw/zinc/07/80/49/680078049.db2.gz KGDZMKFPCICIOB-LPHOPBHVSA-N 1 3 360.571 2.455 20 0 FEADHO CC[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834531442 680239224 /nfs/dbraw/zinc/23/92/24/680239224.db2.gz ZFYFKDUDNZRECP-ULQDDVLXSA-N 1 3 355.523 2.211 20 0 FEADHO Cc1ncsc1CN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995828452 680305194 /nfs/dbraw/zinc/30/51/94/680305194.db2.gz YKWLYMYDUMQWLP-FMKPAKJESA-N 1 3 350.532 2.118 20 0 FEADHO Cc1ncsc1CN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995828452 680305197 /nfs/dbraw/zinc/30/51/97/680305197.db2.gz YKWLYMYDUMQWLP-FMKPAKJESA-N 1 3 350.532 2.118 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCc3cncs3)C(C)(C)C2)CC[N@@H+]1C ZINC000995842101 680307001 /nfs/dbraw/zinc/30/70/01/680307001.db2.gz RUHOSBWONOMHHE-ARFHVFGLSA-N 1 3 350.532 2.200 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCc3cncs3)C(C)(C)C2)CC[N@H+]1C ZINC000995842101 680307005 /nfs/dbraw/zinc/30/70/05/680307005.db2.gz RUHOSBWONOMHHE-ARFHVFGLSA-N 1 3 350.532 2.200 20 0 FEADHO C[C@@H](NCc1nccs1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001029101597 680386317 /nfs/dbraw/zinc/38/63/17/680386317.db2.gz KCONZGUFYGHVCK-IIAWOOMASA-N 1 3 350.532 2.200 20 0 FEADHO C[C@@H](NCc1nccs1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029101597 680386321 /nfs/dbraw/zinc/38/63/21/680386321.db2.gz KCONZGUFYGHVCK-IIAWOOMASA-N 1 3 350.532 2.200 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)Cc3cccc(Cl)n3)C2)CC[N@@H+]1C ZINC001029741184 680390173 /nfs/dbraw/zinc/39/01/73/680390173.db2.gz LAKPKRWIANQHTK-HLLBOEOZSA-N 1 3 364.921 2.356 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)Cc3cccc(Cl)n3)C2)CC[N@H+]1C ZINC001029741184 680390177 /nfs/dbraw/zinc/39/01/77/680390177.db2.gz LAKPKRWIANQHTK-HLLBOEOZSA-N 1 3 364.921 2.356 20 0 FEADHO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000759156430 680632035 /nfs/dbraw/zinc/63/20/35/680632035.db2.gz QNQXDHPIAXHARE-OAHLLOKOSA-N 1 3 355.523 2.380 20 0 FEADHO CC(C)(C)OC(=O)NC(C)(C)CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000759156430 680632038 /nfs/dbraw/zinc/63/20/38/680632038.db2.gz QNQXDHPIAXHARE-OAHLLOKOSA-N 1 3 355.523 2.380 20 0 FEADHO Cc1cc([C@H](N)CC(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc(Cl)n1 ZINC000841851350 680914667 /nfs/dbraw/zinc/91/46/67/680914667.db2.gz OWEWVDXZPKPRSM-IAGOWNOFSA-N 1 3 358.873 2.437 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N(CC[NH3+])CCc2ccccc2)cc(Cl)n1 ZINC000841850588 680914687 /nfs/dbraw/zinc/91/46/87/680914687.db2.gz FEZQRKNPSPGSJE-QGZVFWFLSA-N 1 3 360.889 2.463 20 0 FEADHO C[C@@](O)(CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000848535458 681574070 /nfs/dbraw/zinc/57/40/70/681574070.db2.gz ZXTWKXAQUVMXLA-VQIMIIECSA-N 1 3 354.441 2.405 20 0 FEADHO CC[N@H+](C)Cc1cccc(CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)c1 ZINC000913957490 685490232 /nfs/dbraw/zinc/49/02/32/685490232.db2.gz NVIKZPDNDVKBHK-IBGZPJMESA-N 1 3 365.543 2.044 20 0 FEADHO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)c1 ZINC000913957490 685490233 /nfs/dbraw/zinc/49/02/33/685490233.db2.gz NVIKZPDNDVKBHK-IBGZPJMESA-N 1 3 365.543 2.044 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCc2ccns2)CC[N@@H+]1C ZINC000960009289 682020352 /nfs/dbraw/zinc/02/03/52/682020352.db2.gz YWYJOXQIIVDZRO-BHYGNILZSA-N 1 3 350.532 2.344 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCc2ccns2)CC[N@H+]1C ZINC000960009289 682020357 /nfs/dbraw/zinc/02/03/57/682020357.db2.gz YWYJOXQIIVDZRO-BHYGNILZSA-N 1 3 350.532 2.344 20 0 FEADHO CCC[N@H+](C[C@H](O)CN(C)C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851752261 682120198 /nfs/dbraw/zinc/12/01/98/682120198.db2.gz FHAGDJCLBFPXIW-IAGOWNOFSA-N 1 3 357.539 2.409 20 0 FEADHO CCC[N@@H+](C[C@H](O)CN(C)C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851752261 682120200 /nfs/dbraw/zinc/12/02/00/682120200.db2.gz FHAGDJCLBFPXIW-IAGOWNOFSA-N 1 3 357.539 2.409 20 0 FEADHO CCN1CC[C@H]([N@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C[C@@H]1C ZINC000851798172 682138953 /nfs/dbraw/zinc/13/89/53/682138953.db2.gz ZSAYTTZSNOXYGD-YESZJQIVSA-N 1 3 355.523 2.427 20 0 FEADHO CCN1CC[C@H]([N@@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C[C@@H]1C ZINC000851798172 682138956 /nfs/dbraw/zinc/13/89/56/682138956.db2.gz ZSAYTTZSNOXYGD-YESZJQIVSA-N 1 3 355.523 2.427 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(Br)nn2C)C[C@@H](C)O1 ZINC000785438245 682297653 /nfs/dbraw/zinc/29/76/53/682297653.db2.gz WJJPGAZSPTWKHI-CHWSQXEVSA-N 1 3 359.312 2.162 20 0 FEADHO CN(C)C[C@H]1COC2(CCCC2)CN1C(=S)NCC(C)(C)C[NH+](C)C ZINC000853051248 682368298 /nfs/dbraw/zinc/36/82/98/682368298.db2.gz IDUQCGHMAUSLHQ-INIZCTEOSA-N 1 3 370.607 2.024 20 0 FEADHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)nc1 ZINC000925852576 683043636 /nfs/dbraw/zinc/04/36/36/683043636.db2.gz WJQGYPRDHLGANF-DGCLKSJQSA-N 1 3 368.275 2.180 20 0 FEADHO CN1CCN(CC[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1(C)C ZINC000799727192 683488422 /nfs/dbraw/zinc/48/84/22/683488422.db2.gz YZPDFOBKAPSENJ-HZPDHXFCSA-N 1 3 354.539 2.048 20 0 FEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(C(F)(F)F)n[nH]3)C2)[C@H]1C(C)C ZINC000922393071 683713384 /nfs/dbraw/zinc/71/33/84/683713384.db2.gz JIPLASQDVWSNKI-RRCSTGOVSA-N 1 3 360.424 2.388 20 0 FEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(C(F)(F)F)n[nH]3)C2)[C@H]1C(C)C ZINC000922393071 683713387 /nfs/dbraw/zinc/71/33/87/683713387.db2.gz JIPLASQDVWSNKI-RRCSTGOVSA-N 1 3 360.424 2.388 20 0 FEADHO CCOc1cc(CN(C)C[C@H]2CC3(C[NH2+]C3)CO2)ccc1OC(F)F ZINC000923303364 684258932 /nfs/dbraw/zinc/25/89/32/684258932.db2.gz CTKQLFNFZDYEMV-CQSZACIVSA-N 1 3 356.413 2.497 20 0 FEADHO O[C@H](CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000923431493 684280112 /nfs/dbraw/zinc/28/01/12/684280112.db2.gz QSLNDVLLICNZDI-JTDSTZFVSA-N 1 3 367.896 2.413 20 0 FEADHO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)COc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC000931434191 684282394 /nfs/dbraw/zinc/28/23/94/684282394.db2.gz OWJLFQJPNPNNCJ-YCPHGPKFSA-N 1 3 358.404 2.329 20 0 FEADHO C[N@H+]1CC[C@@H]2CN(C[C@H](O)COc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC000931434191 684282397 /nfs/dbraw/zinc/28/23/97/684282397.db2.gz OWJLFQJPNPNNCJ-YCPHGPKFSA-N 1 3 358.404 2.329 20 0 FEADHO C[C@H]1CN(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923502342 684293339 /nfs/dbraw/zinc/29/33/39/684293339.db2.gz BHWCUKBGZNNRQS-DZGCQCFKSA-N 1 3 355.429 2.163 20 0 FEADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)[C@@H](c1ccccc1)N1CCOCC1 ZINC000925785547 684585434 /nfs/dbraw/zinc/58/54/34/684585434.db2.gz UZLPGDCTORQTGJ-JQHSSLGASA-N 1 3 353.457 2.283 20 0 FEADHO [NH3+][C@H]1C[C@@H](CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000877242657 686342993 /nfs/dbraw/zinc/34/29/93/686342993.db2.gz HUCVFLMLGCWOJA-UXLLHSPISA-N 1 3 355.404 2.295 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc(Cl)n1 ZINC000877361610 686363556 /nfs/dbraw/zinc/36/35/56/686363556.db2.gz VPRLILKSWZUYHV-GRYCIOLGSA-N 1 3 364.799 2.029 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc(Cl)n1 ZINC000877361615 686363708 /nfs/dbraw/zinc/36/37/08/686363708.db2.gz VPRLILKSWZUYHV-SDDRHHMPSA-N 1 3 364.799 2.029 20 0 FEADHO O=C1N[C@@H]2CN(CC[C@@H]3CCCC3(F)F)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000883433073 687629211 /nfs/dbraw/zinc/62/92/11/687629211.db2.gz HTDASGJBUUMOIW-NUEKZKHPSA-N 1 3 356.461 2.032 20 0 FEADHO Cc1nn(C)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1Cl ZINC000888644657 688651757 /nfs/dbraw/zinc/65/17/57/688651757.db2.gz PRKCQZQPSYKDLY-UHFFFAOYSA-N 1 3 368.913 2.062 20 0 FEADHO C[NH+]1CCC(CN2CCN(c3ccc(Br)cn3)CC2)CC1 ZINC000891601365 689082184 /nfs/dbraw/zinc/08/21/84/689082184.db2.gz GOVDKJULNTUASY-UHFFFAOYSA-N 1 3 353.308 2.308 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N(C)C2(C[NH3+])CCCCC2)CC1 ZINC000891634420 689085996 /nfs/dbraw/zinc/08/59/96/689085996.db2.gz HFTZNIRNKIXSLS-UHFFFAOYSA-N 1 3 354.539 2.179 20 0 FEADHO CC(C)(C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCCCC1 ZINC000907047726 691379842 /nfs/dbraw/zinc/37/98/42/691379842.db2.gz RLEGMGHGKVNKOE-QZTJIDSGSA-N 1 3 351.535 2.135 20 0 FEADHO CN(C)Cc1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164871542 721166460 /nfs/dbraw/zinc/16/64/60/721166460.db2.gz FGKCEAITIYOMNX-VQTJNVASSA-N 1 3 367.497 2.018 20 0 FEADHO CN(C)Cc1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164871542 721166464 /nfs/dbraw/zinc/16/64/64/721166464.db2.gz FGKCEAITIYOMNX-VQTJNVASSA-N 1 3 367.497 2.018 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc4n(n3)CCCC4)CC2)CC1 ZINC000521642066 821319300 /nfs/dbraw/zinc/31/93/00/821319300.db2.gz OTISSVYHIZZGJD-UHFFFAOYSA-N 1 3 359.518 2.354 20 0 FEADHO Cc1ccc(OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000050800349 540414840 /nfs/dbraw/zinc/41/48/40/540414840.db2.gz RVJZRFADOTXMLN-UHFFFAOYSA-N 1 3 359.514 2.357 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCc3ccccc3F)CC2)CC1 ZINC000051239327 540427632 /nfs/dbraw/zinc/42/76/32/540427632.db2.gz WVEXSVLFKHEPJU-UHFFFAOYSA-N 1 3 362.493 2.226 20 0 FEADHO COc1ccccc1CN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759824 540443463 /nfs/dbraw/zinc/44/34/63/540443463.db2.gz TYRPKMCEEAHGSZ-UHFFFAOYSA-N 1 3 374.529 2.395 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4ccc(F)cc43)CC2)CC1 ZINC000051761139 540443627 /nfs/dbraw/zinc/44/36/27/540443627.db2.gz PZDQJBSKHXGPIE-UHFFFAOYSA-N 1 3 360.477 2.456 20 0 FEADHO C[C@@H](c1ccncc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761215 540443748 /nfs/dbraw/zinc/44/37/48/540443748.db2.gz PRCXUVIIPGMYCE-INIZCTEOSA-N 1 3 359.518 2.343 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)N2CCCC2)cc1 ZINC000068598619 541613268 /nfs/dbraw/zinc/61/32/68/541613268.db2.gz LYCXQZYBMRMAIZ-LPHOPBHVSA-N 1 3 362.518 2.472 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000072816479 541871692 /nfs/dbraw/zinc/87/16/92/541871692.db2.gz CSLLOOZSVIRUCH-UHFFFAOYSA-N 1 3 372.557 2.499 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000073657485 541981870 /nfs/dbraw/zinc/98/18/70/541981870.db2.gz RIMGCNNVKOAFFV-RBUKOAKNSA-N 1 3 368.566 2.249 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000041642385 208287241 /nfs/dbraw/zinc/28/72/41/208287241.db2.gz FIBBXQUIEPZMJC-LJQANCHMSA-N 1 3 374.529 2.313 20 0 FEADHO Cc1[nH]c2ccccc2c1CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077807872 542423013 /nfs/dbraw/zinc/42/30/13/542423013.db2.gz PDQWIOCENRRETK-UHFFFAOYSA-N 1 3 359.518 2.154 20 0 FEADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000081726850 542673988 /nfs/dbraw/zinc/67/39/88/542673988.db2.gz SCDDEUZHGDJHGC-UXHICEINSA-N 1 3 371.525 2.134 20 0 FEADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081726850 542673990 /nfs/dbraw/zinc/67/39/90/542673990.db2.gz SCDDEUZHGDJHGC-UXHICEINSA-N 1 3 371.525 2.134 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000093405169 542930627 /nfs/dbraw/zinc/93/06/27/542930627.db2.gz YQAJNECDSPBFPV-WBVHZDCISA-N 1 3 358.534 2.270 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000093808813 542941221 /nfs/dbraw/zinc/94/12/21/542941221.db2.gz MLIVCYAPGSGAMK-SFHVURJKSA-N 1 3 358.530 2.306 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000093808813 542941224 /nfs/dbraw/zinc/94/12/24/542941224.db2.gz MLIVCYAPGSGAMK-SFHVURJKSA-N 1 3 358.530 2.306 20 0 FEADHO C[C@@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)N1[C@H](C)CC[C@@H]1C ZINC000101663051 543040513 /nfs/dbraw/zinc/04/05/13/543040513.db2.gz UZLKYEIOHJGJSI-ZNMIVQPWSA-N 1 3 374.485 2.356 20 0 FEADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000103080267 543091154 /nfs/dbraw/zinc/09/11/54/543091154.db2.gz HRFJDRDEKZSGDF-HKUYNNGSSA-N 1 3 372.513 2.197 20 0 FEADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000103080267 543091158 /nfs/dbraw/zinc/09/11/58/543091158.db2.gz HRFJDRDEKZSGDF-HKUYNNGSSA-N 1 3 372.513 2.197 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC1CCN(C2CC2)CC1 ZINC000103301712 543101817 /nfs/dbraw/zinc/10/18/17/543101817.db2.gz XCLDYERGMJGCGZ-LJQANCHMSA-N 1 3 370.541 2.477 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC1CCN(C2CC2)CC1 ZINC000103301712 543101818 /nfs/dbraw/zinc/10/18/18/543101818.db2.gz XCLDYERGMJGCGZ-LJQANCHMSA-N 1 3 370.541 2.477 20 0 FEADHO CC[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000105126199 543160666 /nfs/dbraw/zinc/16/06/66/543160666.db2.gz JMKDIRYWWBNGCK-FQEVSTJZSA-N 1 3 358.530 2.464 20 0 FEADHO C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C1CC1 ZINC000105244800 543166786 /nfs/dbraw/zinc/16/67/86/543166786.db2.gz SCLDXKAYAIUUMG-HKUYNNGSSA-N 1 3 358.530 2.333 20 0 FEADHO C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C1CC1 ZINC000105244800 543166789 /nfs/dbraw/zinc/16/67/89/543166789.db2.gz SCLDXKAYAIUUMG-HKUYNNGSSA-N 1 3 358.530 2.333 20 0 FEADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000108557332 543294246 /nfs/dbraw/zinc/29/42/46/543294246.db2.gz RNXWVRDAZNSNRU-WOJBJXKFSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000108557332 543294248 /nfs/dbraw/zinc/29/42/48/543294248.db2.gz RNXWVRDAZNSNRU-WOJBJXKFSA-N 1 3 356.514 2.435 20 0 FEADHO C[N@@H+]1CCC[C@H](CNC(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000112216141 543434684 /nfs/dbraw/zinc/43/46/84/543434684.db2.gz QFKUTOJWEOYFGX-QGZVFWFLSA-N 1 3 368.591 2.379 20 0 FEADHO C[N@H+]1CCC[C@H](CNC(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000112216141 543434687 /nfs/dbraw/zinc/43/46/87/543434687.db2.gz QFKUTOJWEOYFGX-QGZVFWFLSA-N 1 3 368.591 2.379 20 0 FEADHO CC[N@H+](C)CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(OC)cc1 ZINC000115811818 543587788 /nfs/dbraw/zinc/58/77/88/543587788.db2.gz RMFQROXHBUFARP-IEBWSBKVSA-N 1 3 362.518 2.329 20 0 FEADHO CC[N@@H+](C)CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(OC)cc1 ZINC000115811818 543587791 /nfs/dbraw/zinc/58/77/91/543587791.db2.gz RMFQROXHBUFARP-IEBWSBKVSA-N 1 3 362.518 2.329 20 0 FEADHO CS[C@@H]1CCCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000127086712 543972187 /nfs/dbraw/zinc/97/21/87/543972187.db2.gz NNPYUHZREVMFTR-GOSISDBHSA-N 1 3 368.591 2.472 20 0 FEADHO COc1cccc([C@H](CNC(=O)NC2CC[NH+](C)CC2)N2CCCC2)c1 ZINC000126830147 543958624 /nfs/dbraw/zinc/95/86/24/543958624.db2.gz XYOBPUCVGCMIHA-IBGZPJMESA-N 1 3 360.502 2.226 20 0 FEADHO NS(=O)(=O)c1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000127970460 544024834 /nfs/dbraw/zinc/02/48/34/544024834.db2.gz KGQBWVHLESZDOG-UHFFFAOYSA-N 1 3 365.543 2.263 20 0 FEADHO NS(=O)(=O)c1ccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cc1 ZINC000127970460 544024837 /nfs/dbraw/zinc/02/48/37/544024837.db2.gz KGQBWVHLESZDOG-UHFFFAOYSA-N 1 3 365.543 2.263 20 0 FEADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128237941 544040855 /nfs/dbraw/zinc/04/08/55/544040855.db2.gz DAWSYTBDCWTQJJ-MRXNPFEDSA-N 1 3 350.482 2.160 20 0 FEADHO COCCN1CCC(NC(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)CC1 ZINC000129980913 544134095 /nfs/dbraw/zinc/13/40/95/544134095.db2.gz VWGCQAVEIDDGJI-FQEVSTJZSA-N 1 3 374.529 2.061 20 0 FEADHO CCCC[C@@H](COC)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000132139531 544220518 /nfs/dbraw/zinc/22/05/18/544220518.db2.gz INIQZGABUFIVOT-KRWDZBQOSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000133893518 544287199 /nfs/dbraw/zinc/28/71/99/544287199.db2.gz RMAJBFLADIUBCY-IAGOWNOFSA-N 1 3 359.518 2.248 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000133893518 544287200 /nfs/dbraw/zinc/28/72/00/544287200.db2.gz RMAJBFLADIUBCY-IAGOWNOFSA-N 1 3 359.518 2.248 20 0 FEADHO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000154057788 544858951 /nfs/dbraw/zinc/85/89/51/544858951.db2.gz NEBSLKXNDOBYCB-RBBKRZOGSA-N 1 3 357.542 2.333 20 0 FEADHO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000154057788 544858954 /nfs/dbraw/zinc/85/89/54/544858954.db2.gz NEBSLKXNDOBYCB-RBBKRZOGSA-N 1 3 357.542 2.333 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1cccc(OCCN2CCOCC2)c1 ZINC000155165531 544997056 /nfs/dbraw/zinc/99/70/56/544997056.db2.gz FUWYQSUWHUPTPX-OPYAIIAOSA-N 1 3 361.530 2.216 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cccc(OCCN2CCOCC2)c1 ZINC000155165531 544997059 /nfs/dbraw/zinc/99/70/59/544997059.db2.gz FUWYQSUWHUPTPX-OPYAIIAOSA-N 1 3 361.530 2.216 20 0 FEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155165531 544997060 /nfs/dbraw/zinc/99/70/60/544997060.db2.gz FUWYQSUWHUPTPX-OPYAIIAOSA-N 1 3 361.530 2.216 20 0 FEADHO CCO[C@H]1C[C@](N)(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1(C)C ZINC000188075323 328064266 /nfs/dbraw/zinc/06/42/66/328064266.db2.gz WWJQAVADNSEIDA-RXVVDRJESA-N 1 3 359.514 2.084 20 0 FEADHO CCO[C@H]1C[C@](N)(C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1(C)C ZINC000188075323 328064267 /nfs/dbraw/zinc/06/42/67/328064267.db2.gz WWJQAVADNSEIDA-RXVVDRJESA-N 1 3 359.514 2.084 20 0 FEADHO COC[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CCOCC1 ZINC000188112570 328066847 /nfs/dbraw/zinc/06/68/47/328066847.db2.gz DMHQRFVPFYPECA-OAQYLSRUSA-N 1 3 362.514 2.175 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NCC2CC[NH+](CCC(C)C)CC2)C1(C)C ZINC000188265016 328076587 /nfs/dbraw/zinc/07/65/87/328076587.db2.gz VKNWZCJHVCCXCY-XLIONFOSSA-N 1 3 353.551 2.393 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@]2(C)CCCCN2)c1 ZINC000236868595 328496775 /nfs/dbraw/zinc/49/67/75/328496775.db2.gz WKAVQXULAAZOIQ-FQEVSTJZSA-N 1 3 360.502 2.229 20 0 FEADHO COc1cc(CNC(=O)C[C@H](N)c2ccccc2)ccc1OCC[NH+](C)C ZINC000237343457 328513183 /nfs/dbraw/zinc/51/31/83/328513183.db2.gz XIZZTZSIUBPJJY-SFHVURJKSA-N 1 3 371.481 2.342 20 0 FEADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000079945174 325110614 /nfs/dbraw/zinc/11/06/14/325110614.db2.gz FXYKMCGELBGPTC-CTNGQTDRSA-N 1 3 372.557 2.183 20 0 FEADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000079945174 325110619 /nfs/dbraw/zinc/11/06/19/325110619.db2.gz FXYKMCGELBGPTC-CTNGQTDRSA-N 1 3 372.557 2.183 20 0 FEADHO C[C@H]1CN(CC2CCN(C(=O)CCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000237602800 328521640 /nfs/dbraw/zinc/52/16/40/328521640.db2.gz MFBMNWQZOLBKMK-IRXDYDNUSA-N 1 3 351.535 2.114 20 0 FEADHO C[C@@H](NC(=O)NCc1ccc(OCCN(C)C)cc1)C(C)(C)C[NH+](C)C ZINC000085359349 325250827 /nfs/dbraw/zinc/25/08/27/325250827.db2.gz LOJCOQFKHBCVSP-MRXNPFEDSA-N 1 3 364.534 2.403 20 0 FEADHO COCc1nc2n(n1)C[C@@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000090395228 325357464 /nfs/dbraw/zinc/35/74/64/325357464.db2.gz DGTXVBYEEFTUKC-WBVHZDCISA-N 1 3 373.501 2.031 20 0 FEADHO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000090395228 325357466 /nfs/dbraw/zinc/35/74/66/325357466.db2.gz DGTXVBYEEFTUKC-WBVHZDCISA-N 1 3 373.501 2.031 20 0 FEADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000118126609 326084246 /nfs/dbraw/zinc/08/42/46/326084246.db2.gz MDKYNIYKMLJKQV-IBGZPJMESA-N 1 3 374.529 2.458 20 0 FEADHO CC(C)[N@H+]1C[C@H](NC(=O)NC2CCN(CCc3ccncc3)CC2)[C@@H](C)C1 ZINC000119126960 326129295 /nfs/dbraw/zinc/12/92/95/326129295.db2.gz LSRVBWDTCIBTAA-PXNSSMCTSA-N 1 3 373.545 2.116 20 0 FEADHO CC(C)[N@@H+]1C[C@H](NC(=O)NC2CCN(CCc3ccncc3)CC2)[C@@H](C)C1 ZINC000119126960 326129297 /nfs/dbraw/zinc/12/92/97/326129297.db2.gz LSRVBWDTCIBTAA-PXNSSMCTSA-N 1 3 373.545 2.116 20 0 FEADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c(OC)c1 ZINC000119422060 326160185 /nfs/dbraw/zinc/16/01/85/326160185.db2.gz FOWRAHJNKIYQJG-HUUCEWRRSA-N 1 3 361.486 2.495 20 0 FEADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c(OC)c1 ZINC000119422060 326160187 /nfs/dbraw/zinc/16/01/87/326160187.db2.gz FOWRAHJNKIYQJG-HUUCEWRRSA-N 1 3 361.486 2.495 20 0 FEADHO CSC[C@@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119546227 326174148 /nfs/dbraw/zinc/17/41/48/326174148.db2.gz ASFVBBPDQCZHFV-KRWDZBQOSA-N 1 3 354.564 2.082 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000120217339 326241288 /nfs/dbraw/zinc/24/12/88/326241288.db2.gz PZUDKJFCMLWBQA-APWZRJJASA-N 1 3 362.518 2.109 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000120217339 326241289 /nfs/dbraw/zinc/24/12/89/326241289.db2.gz PZUDKJFCMLWBQA-APWZRJJASA-N 1 3 362.518 2.109 20 0 FEADHO CN1CCc2ccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc21 ZINC000122363062 326393953 /nfs/dbraw/zinc/39/39/53/326393953.db2.gz RMILUSALEAFWSD-UHFFFAOYSA-N 1 3 371.529 2.359 20 0 FEADHO C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)([NH+](C)C)C1 ZINC000124743741 326459407 /nfs/dbraw/zinc/45/94/07/326459407.db2.gz FDZDTTPLKGXZNQ-KKSFZXQISA-N 1 3 374.529 2.313 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000131294429 326572084 /nfs/dbraw/zinc/57/20/84/326572084.db2.gz AOFFXAFIQHMOHW-UHFFFAOYSA-N 1 3 356.854 2.026 20 0 FEADHO CN1CCN(CCCC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000154427414 326759711 /nfs/dbraw/zinc/75/97/11/326759711.db2.gz NKUPKKFRGRGEIP-UHFFFAOYSA-N 1 3 370.541 2.436 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])cc2)CC1 ZINC000156971252 326850331 /nfs/dbraw/zinc/85/03/31/326850331.db2.gz CPBNMZOPKVCVOM-PXNSSMCTSA-N 1 3 358.530 2.416 20 0 FEADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000162825130 327035465 /nfs/dbraw/zinc/03/54/65/327035465.db2.gz ZFQXAKPLEISKTP-UHFFFAOYSA-N 1 3 362.518 2.041 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000165995527 327080220 /nfs/dbraw/zinc/08/02/20/327080220.db2.gz FBFYTMVNHJBJJF-ZFWWWQNUSA-N 1 3 360.495 2.237 20 0 FEADHO CSCC[C@@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000168965839 327087743 /nfs/dbraw/zinc/08/77/43/327087743.db2.gz TWYQUVWTAYENKG-DOTOQJQBSA-N 1 3 365.543 2.083 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000168920219 327087812 /nfs/dbraw/zinc/08/78/12/327087812.db2.gz XTMFTCZDAFJBIC-LJQANCHMSA-N 1 3 351.922 2.307 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nc2ccccc2[nH]1 ZINC000170628289 327089327 /nfs/dbraw/zinc/08/93/27/327089327.db2.gz ULAXKEFBZPKEQI-KRWDZBQOSA-N 1 3 371.529 2.370 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nc2ccccc2[nH]1 ZINC000170628289 327089328 /nfs/dbraw/zinc/08/93/28/327089328.db2.gz ULAXKEFBZPKEQI-KRWDZBQOSA-N 1 3 371.529 2.370 20 0 FEADHO CSc1ccc(NC(=O)[C@H](C)N(C)CCC[NH+]2CCN(C)CC2)cc1 ZINC000174729393 327346350 /nfs/dbraw/zinc/34/63/50/327346350.db2.gz RJPGVWDJDDGQRC-INIZCTEOSA-N 1 3 364.559 2.305 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000175733393 327409644 /nfs/dbraw/zinc/40/96/44/327409644.db2.gz WUNURZKIHIEGSH-ROUUACIJSA-N 1 3 362.518 2.299 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000176062786 327431611 /nfs/dbraw/zinc/43/16/11/327431611.db2.gz VDLGKWGQEYPYGK-LJQANCHMSA-N 1 3 374.529 2.232 20 0 FEADHO CN(C)CCn1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000176374553 327452046 /nfs/dbraw/zinc/45/20/46/327452046.db2.gz YUJQSWLXEMEHJR-UHFFFAOYSA-N 1 3 362.522 2.363 20 0 FEADHO Cc1ccc(OCCC[NH+]2CCC(C(=O)NCCN(C)C)CC2)cc1C ZINC000264196784 328999031 /nfs/dbraw/zinc/99/90/31/328999031.db2.gz HDHPVEPDSFVJJQ-UHFFFAOYSA-N 1 3 361.530 2.462 20 0 FEADHO C[NH+](C)C1(CNC(=O)C2CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000265036693 329084883 /nfs/dbraw/zinc/08/48/83/329084883.db2.gz PHKAOOMGQCYAOG-UHFFFAOYSA-N 1 3 359.514 2.126 20 0 FEADHO CC[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1)N(CC)CC ZINC000265454538 329128722 /nfs/dbraw/zinc/12/87/22/329128722.db2.gz VGUNOTNSVNLYGC-MJGOQNOKSA-N 1 3 374.529 2.443 20 0 FEADHO CC[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1)N(CC)CC ZINC000265454538 329128723 /nfs/dbraw/zinc/12/87/23/329128723.db2.gz VGUNOTNSVNLYGC-MJGOQNOKSA-N 1 3 374.529 2.443 20 0 FEADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCN(CCOC)C2)c1 ZINC000265630765 329144793 /nfs/dbraw/zinc/14/47/93/329144793.db2.gz RRPBMMPMSGQLFI-IBGZPJMESA-N 1 3 362.518 2.048 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000265786602 329160060 /nfs/dbraw/zinc/16/00/60/329160060.db2.gz WHYDELOEMAZVOH-FUHWJXTLSA-N 1 3 362.518 2.136 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000265786604 329160107 /nfs/dbraw/zinc/16/01/07/329160107.db2.gz WHYDELOEMAZVOH-SJLPKXTDSA-N 1 3 362.518 2.136 20 0 FEADHO O=C(C[C@H]1C[NH2+]CCO1)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000269277264 329503166 /nfs/dbraw/zinc/50/31/66/329503166.db2.gz XZLXVSGLVAUXKN-KRWDZBQOSA-N 1 3 365.905 2.047 20 0 FEADHO CN(C(=O)NCC1([NH+](C)C)CCC1)C1CCN(CCc2ccccn2)CC1 ZINC000275556193 330063389 /nfs/dbraw/zinc/06/33/89/330063389.db2.gz ABFKXMYXVLVQIX-UHFFFAOYSA-N 1 3 373.545 2.214 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000275564336 330064014 /nfs/dbraw/zinc/06/40/14/330064014.db2.gz HIDXFINXFCKXLO-UHFFFAOYSA-N 1 3 374.529 2.110 20 0 FEADHO CN(C)[C@@]1(CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)CCSC1 ZINC000276070437 330116417 /nfs/dbraw/zinc/11/64/17/330116417.db2.gz JSUCSBZLJVRGSV-LJQANCHMSA-N 1 3 364.559 2.027 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC[C@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000276233510 330132075 /nfs/dbraw/zinc/13/20/75/330132075.db2.gz NPUCYOSBZOEEAJ-SESVDKBCSA-N 1 3 364.530 2.291 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC[C@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000276233510 330132076 /nfs/dbraw/zinc/13/20/76/330132076.db2.gz NPUCYOSBZOEEAJ-SESVDKBCSA-N 1 3 364.530 2.291 20 0 FEADHO CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000279091359 330174954 /nfs/dbraw/zinc/17/49/54/330174954.db2.gz WIVSHVODBBBIGB-QZTJIDSGSA-N 1 3 367.497 2.223 20 0 FEADHO C[NH+](C)CC1(NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)CCC1 ZINC000367094800 330216302 /nfs/dbraw/zinc/21/63/02/330216302.db2.gz RIPSSOLGZOEWKW-GOSISDBHSA-N 1 3 359.518 2.077 20 0 FEADHO Cc1cc(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)ccc1CN(C)C ZINC000411389105 330256908 /nfs/dbraw/zinc/25/69/08/330256908.db2.gz NUUIXWZYKFSWNP-MRXNPFEDSA-N 1 3 374.529 2.184 20 0 FEADHO CCc1ccc([C@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)N(C)C)cc1 ZINC000262880514 517849509 /nfs/dbraw/zinc/84/95/09/517849509.db2.gz YXNSSMYHQVAUSM-ICSRJNTNSA-N 1 3 369.513 2.403 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000477477589 561145851 /nfs/dbraw/zinc/14/58/51/561145851.db2.gz PVNVZDQKFSPFDA-SFHVURJKSA-N 1 3 367.559 2.395 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000477477589 561145852 /nfs/dbraw/zinc/14/58/52/561145852.db2.gz PVNVZDQKFSPFDA-SFHVURJKSA-N 1 3 367.559 2.395 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000477477586 561145906 /nfs/dbraw/zinc/14/59/06/561145906.db2.gz PVNVZDQKFSPFDA-GOSISDBHSA-N 1 3 367.559 2.395 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000477477586 561145907 /nfs/dbraw/zinc/14/59/07/561145907.db2.gz PVNVZDQKFSPFDA-GOSISDBHSA-N 1 3 367.559 2.395 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000477581108 561148506 /nfs/dbraw/zinc/14/85/06/561148506.db2.gz DRHVWVFVFSCFAG-QGZVFWFLSA-N 1 3 355.548 2.393 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000157841722 545790520 /nfs/dbraw/zinc/79/05/20/545790520.db2.gz VODLPCYGOJQQRO-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO CN(C)C1(CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)Cc2ccccc2C1 ZINC000479228118 561185350 /nfs/dbraw/zinc/18/53/50/561185350.db2.gz QJRVHOSTWPXPKT-IBGZPJMESA-N 1 3 355.457 2.083 20 0 FEADHO COc1cc(OC)cc(N2CC[C@H](N(C)CCC3CC[NH2+]CC3)C2=O)c1 ZINC000479675943 561194784 /nfs/dbraw/zinc/19/47/84/561194784.db2.gz LDSXLKMZVJXYHO-IBGZPJMESA-N 1 3 361.486 2.131 20 0 FEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000175785274 546349060 /nfs/dbraw/zinc/34/90/60/546349060.db2.gz KFIYBMVWDBFKSO-GOSISDBHSA-N 1 3 368.566 2.393 20 0 FEADHO CC[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCS1 ZINC000176382004 546438982 /nfs/dbraw/zinc/43/89/82/546438982.db2.gz FEGOZQVDQIAGNY-KRWDZBQOSA-N 1 3 354.564 2.082 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176411483 546442074 /nfs/dbraw/zinc/44/20/74/546442074.db2.gz NFUSIUJAXJIXAE-QZTJIDSGSA-N 1 3 354.539 2.048 20 0 FEADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000176441735 546446343 /nfs/dbraw/zinc/44/63/43/546446343.db2.gz SNZLFJBXLDSBHR-DOTOQJQBSA-N 1 3 368.547 2.008 20 0 FEADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000176441735 546446348 /nfs/dbraw/zinc/44/63/48/546446348.db2.gz SNZLFJBXLDSBHR-DOTOQJQBSA-N 1 3 368.547 2.008 20 0 FEADHO CC(C)(C)N1CCC([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000480744857 561215772 /nfs/dbraw/zinc/21/57/72/561215772.db2.gz MISWCGRFDNLQTL-UHFFFAOYSA-N 1 3 364.534 2.484 20 0 FEADHO CC(C)(C)[NH+]1CCC(NCCCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000480744857 561215773 /nfs/dbraw/zinc/21/57/73/561215773.db2.gz MISWCGRFDNLQTL-UHFFFAOYSA-N 1 3 364.534 2.484 20 0 FEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000177849509 546694994 /nfs/dbraw/zinc/69/49/94/546694994.db2.gz BPLYYIWATNHZHB-GOSISDBHSA-N 1 3 362.518 2.110 20 0 FEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000177849509 546694999 /nfs/dbraw/zinc/69/49/99/546694999.db2.gz BPLYYIWATNHZHB-GOSISDBHSA-N 1 3 362.518 2.110 20 0 FEADHO Cc1ccc(-c2noc(CN3CCN(CC4CC[NH2+]CC4)CC3)n2)cc1 ZINC000178978490 546882901 /nfs/dbraw/zinc/88/29/01/546882901.db2.gz YQBZTETYYIFVGW-UHFFFAOYSA-N 1 3 355.486 2.162 20 0 FEADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(-n2cncn2)cc1 ZINC000179510000 546968381 /nfs/dbraw/zinc/96/83/81/546968381.db2.gz RTLSRZWSWHVDLA-MRXNPFEDSA-N 1 3 366.469 2.454 20 0 FEADHO CN1CCN(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000180173446 547062855 /nfs/dbraw/zinc/06/28/55/547062855.db2.gz LJRXBXAGRXPCSD-FRIKZZABSA-N 1 3 356.558 2.409 20 0 FEADHO COC(=O)c1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)c(C)s1 ZINC000180963427 547220769 /nfs/dbraw/zinc/22/07/69/547220769.db2.gz WSMNFDHQWQUCOJ-UHFFFAOYSA-N 1 3 353.532 2.301 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)CC1 ZINC000483428842 561276941 /nfs/dbraw/zinc/27/69/41/561276941.db2.gz PESPABAKMGBYBH-LJQANCHMSA-N 1 3 356.514 2.025 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](N3CCCC3=O)C2)CC1 ZINC000483428842 561276942 /nfs/dbraw/zinc/27/69/42/561276942.db2.gz PESPABAKMGBYBH-LJQANCHMSA-N 1 3 356.514 2.025 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCCN(c3cnn(C)c3)C2)[C@@H](C)C1 ZINC000483746258 561283258 /nfs/dbraw/zinc/28/32/58/561283258.db2.gz NGONPSIWRURPQO-BJLQDIEVSA-N 1 3 363.550 2.116 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCCN(c3cnn(C)c3)C2)[C@@H](C)C1 ZINC000483746258 561283259 /nfs/dbraw/zinc/28/32/59/561283259.db2.gz NGONPSIWRURPQO-BJLQDIEVSA-N 1 3 363.550 2.116 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000182641914 547527066 /nfs/dbraw/zinc/52/70/66/547527066.db2.gz VVVAJFINTVMOLG-XLIONFOSSA-N 1 3 361.530 2.416 20 0 FEADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000182683943 547533426 /nfs/dbraw/zinc/53/34/26/547533426.db2.gz SXYRLCMTNRVVQM-RTWAWAEBSA-N 1 3 373.541 2.205 20 0 FEADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000182807705 547554870 /nfs/dbraw/zinc/55/48/70/547554870.db2.gz FWQNCVYYIKFZMS-OALUTQOASA-N 1 3 368.543 2.463 20 0 FEADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000484107132 561291699 /nfs/dbraw/zinc/29/16/99/561291699.db2.gz WBBSWKJNHZVWAA-UHFFFAOYSA-N 1 3 363.546 2.498 20 0 FEADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185293779 547965166 /nfs/dbraw/zinc/96/51/66/547965166.db2.gz YJXAXMYRZUYMCA-VKJFTORMSA-N 1 3 351.516 2.045 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000485606428 561323795 /nfs/dbraw/zinc/32/37/95/561323795.db2.gz BWBQWPDLGIBJHW-AEFFLSMTSA-N 1 3 366.550 2.002 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000485606428 561323796 /nfs/dbraw/zinc/32/37/96/561323796.db2.gz BWBQWPDLGIBJHW-AEFFLSMTSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000485790858 561328153 /nfs/dbraw/zinc/32/81/53/561328153.db2.gz UFFHFENAYNJLDT-HYVNUMGLSA-N 1 3 353.470 2.052 20 0 FEADHO C[C@H](NC(C)(C)CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000485823834 561329100 /nfs/dbraw/zinc/32/91/00/561329100.db2.gz ZYOODSIEHCKOSS-DOTOQJQBSA-N 1 3 370.501 2.062 20 0 FEADHO CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1csc(CC[NH3+])n1 ZINC000194835844 548539299 /nfs/dbraw/zinc/53/92/99/548539299.db2.gz LQGYSNZOHINKRC-MRXNPFEDSA-N 1 3 358.511 2.238 20 0 FEADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(Br)cc2)CC[N@@H+]1C ZINC000226876658 548750822 /nfs/dbraw/zinc/75/08/22/548750822.db2.gz ZGCBMPVHIDOQAW-BPLDGKMQSA-N 1 3 357.292 2.261 20 0 FEADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(Br)cc2)CC[N@H+]1C ZINC000226876658 548750824 /nfs/dbraw/zinc/75/08/24/548750824.db2.gz ZGCBMPVHIDOQAW-BPLDGKMQSA-N 1 3 357.292 2.261 20 0 FEADHO CC1CC[NH+]([C@H](CNC(=O)CNC[C@@H]2CCCO2)c2ccccc2)CC1 ZINC000236659703 548770973 /nfs/dbraw/zinc/77/09/73/548770973.db2.gz HIXGQMCPXXJKED-VQTJNVASSA-N 1 3 359.514 2.344 20 0 FEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000236727168 548775804 /nfs/dbraw/zinc/77/58/04/548775804.db2.gz OHFNZGMUSMAGTH-FQEVSTJZSA-N 1 3 360.546 2.421 20 0 FEADHO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000236980492 548792317 /nfs/dbraw/zinc/79/23/17/548792317.db2.gz PZLNBZOEVHZZJI-OLMNPRSZSA-N 1 3 360.502 2.165 20 0 FEADHO C[NH2+]C[C@@H](C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000237184005 548806284 /nfs/dbraw/zinc/80/62/84/548806284.db2.gz CKTSXMJVQCEGKA-CQSZACIVSA-N 1 3 353.894 2.155 20 0 FEADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000237431143 548826743 /nfs/dbraw/zinc/82/67/43/548826743.db2.gz CKGBDDPOEOHKGD-OALUTQOASA-N 1 3 358.530 2.175 20 0 FEADHO C[C@@H](CC(=O)NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237478082 548829847 /nfs/dbraw/zinc/82/98/47/548829847.db2.gz BAXZRIPQAKMBOE-ZWKOTPCHSA-N 1 3 373.541 2.285 20 0 FEADHO [NH3+][C@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CC1 ZINC000245680151 548972956 /nfs/dbraw/zinc/97/29/56/548972956.db2.gz MJBSXLDVXOALGY-NVXWUHKLSA-N 1 3 355.404 2.295 20 0 FEADHO C[C@H](CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000488412889 561389592 /nfs/dbraw/zinc/38/95/92/561389592.db2.gz DRWNBJXVIQSFBE-NCXUSEDFSA-N 1 3 350.551 2.480 20 0 FEADHO CC(C)[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1CCCCC1 ZINC000247315509 549316487 /nfs/dbraw/zinc/31/64/87/549316487.db2.gz GAZNKGUCEFBPEO-XUVXKRRUSA-N 1 3 365.562 2.381 20 0 FEADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)C[C@H](C)O1 ZINC000248837939 549511078 /nfs/dbraw/zinc/51/10/78/549511078.db2.gz KNIKNQVWEXJTGE-SOLBZPMBSA-N 1 3 350.503 2.293 20 0 FEADHO CNC(=O)[C@H](CCSC)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000489828578 561419989 /nfs/dbraw/zinc/41/99/89/561419989.db2.gz XMZGHDIOZOOZIH-MANSERQUSA-N 1 3 361.555 2.354 20 0 FEADHO Cc1nc2ccccc2nc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261891044 549767142 /nfs/dbraw/zinc/76/71/42/549767142.db2.gz QOQRZVKYRUTYRG-LPHOPBHVSA-N 1 3 367.497 2.018 20 0 FEADHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000262326849 549810718 /nfs/dbraw/zinc/81/07/18/549810718.db2.gz GFEAZICSYPKGAP-LJQANCHMSA-N 1 3 353.466 2.244 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)CC2)C[C@@H](C)O1 ZINC000262409582 549817713 /nfs/dbraw/zinc/81/77/13/549817713.db2.gz QKLSXGDJBLTGOD-PLOVASNDSA-N 1 3 363.546 2.114 20 0 FEADHO CCN1CC[C@H]([NH2+]Cc2ccccc2N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000268844203 550122709 /nfs/dbraw/zinc/12/27/09/550122709.db2.gz PGJJCLROVQPODE-PXNSSMCTSA-N 1 3 358.530 2.175 20 0 FEADHO [NH3+]C[C@@H](C(=O)NCc1ccc(CN2CCC(O)CC2)cc1)c1ccccc1 ZINC000269249678 550172530 /nfs/dbraw/zinc/17/25/30/550172530.db2.gz GLLHPKRGUFLOGB-OAQYLSRUSA-N 1 3 367.493 2.002 20 0 FEADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@H](N)CCSC)ccc1OC ZINC000269263421 550173423 /nfs/dbraw/zinc/17/34/23/550173423.db2.gz XDBBIAWQTVFNBT-OAHLLOKOSA-N 1 3 369.531 2.435 20 0 FEADHO C[C@H](Cn1cccn1)NCc1cccc(C[NH2+][C@@H](C)Cn2cccn2)c1 ZINC000270729069 550301602 /nfs/dbraw/zinc/30/16/02/550301602.db2.gz MVAXZHJQWIZWNP-HDICACEKSA-N 1 3 352.486 2.436 20 0 FEADHO C[C@H](Cn1cccn1)[NH2+]Cc1cccc(CN[C@@H](C)Cn2cccn2)c1 ZINC000270729069 550301605 /nfs/dbraw/zinc/30/16/05/550301605.db2.gz MVAXZHJQWIZWNP-HDICACEKSA-N 1 3 352.486 2.436 20 0 FEADHO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCCN3C3CC3)cc2)CC1 ZINC000494273864 561466102 /nfs/dbraw/zinc/46/61/02/561466102.db2.gz LIFRHSYMRLLMGU-HXUWFJFHSA-N 1 3 356.514 2.389 20 0 FEADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1=CCN(C)CC1 ZINC000271900702 550409513 /nfs/dbraw/zinc/40/95/13/550409513.db2.gz OMZKXRIWKVONCQ-FXAWDEMLSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1=CCN(C)CC1 ZINC000271900702 550409515 /nfs/dbraw/zinc/40/95/15/550409515.db2.gz OMZKXRIWKVONCQ-FXAWDEMLSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1=CCN(C)CC1 ZINC000271900706 550409530 /nfs/dbraw/zinc/40/95/30/550409530.db2.gz OMZKXRIWKVONCQ-YLJYHZDGSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1=CCN(C)CC1 ZINC000271900706 550409532 /nfs/dbraw/zinc/40/95/32/550409532.db2.gz OMZKXRIWKVONCQ-YLJYHZDGSA-N 1 3 356.514 2.458 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)CC2)c1 ZINC000272963279 550478625 /nfs/dbraw/zinc/47/86/25/550478625.db2.gz NPTYBLBBKJGTEW-IBGZPJMESA-N 1 3 370.541 2.274 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)CC2)c1 ZINC000272963279 550478627 /nfs/dbraw/zinc/47/86/27/550478627.db2.gz NPTYBLBBKJGTEW-IBGZPJMESA-N 1 3 370.541 2.274 20 0 FEADHO C[NH+]1CCC(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000273227349 550490663 /nfs/dbraw/zinc/49/06/63/550490663.db2.gz OAUOWRJEMLDEPI-UHFFFAOYSA-N 1 3 372.557 2.042 20 0 FEADHO CCO[C@@H](CCN(C)C)C[NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000273565323 550503437 /nfs/dbraw/zinc/50/34/37/550503437.db2.gz JHGATYJTALXDPQ-SJORKVTESA-N 1 3 356.532 2.104 20 0 FEADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000273737946 550509817 /nfs/dbraw/zinc/50/98/17/550509817.db2.gz NPLOYIHQPOANIU-OAQYLSRUSA-N 1 3 370.545 2.335 20 0 FEADHO CN1CCN(CCCNC(=O)c2ccc(C[NH3+])cc2)[C@H](c2ccccc2)C1 ZINC000273931235 550516287 /nfs/dbraw/zinc/51/62/87/550516287.db2.gz HWVCUMIKORVZJD-NRFANRHFSA-N 1 3 366.509 2.254 20 0 FEADHO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000278057213 550743955 /nfs/dbraw/zinc/74/39/55/550743955.db2.gz YMLBLCGFFXQZKY-ZWOKBUDYSA-N 1 3 359.514 2.170 20 0 FEADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000496446572 561494009 /nfs/dbraw/zinc/49/40/09/561494009.db2.gz JBPDHYVQNIOEOS-NRFANRHFSA-N 1 3 374.573 2.429 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1 ZINC000282016167 551169648 /nfs/dbraw/zinc/16/96/48/551169648.db2.gz KAOUKQBSGKTAAW-RTBURBONSA-N 1 3 359.514 2.344 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(NCC4CC4)nc3)CC2)CC1 ZINC000282205281 551195113 /nfs/dbraw/zinc/19/51/13/551195113.db2.gz RCTYVBNLAUIMCM-UHFFFAOYSA-N 1 3 371.529 2.192 20 0 FEADHO COCC[C@H](Cc1cccc(F)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282509221 551239594 /nfs/dbraw/zinc/23/95/94/551239594.db2.gz YSPXBESFMZVELV-LJQANCHMSA-N 1 3 351.510 2.389 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)Cc2ccccc2C1 ZINC000497489662 561501766 /nfs/dbraw/zinc/50/17/66/561501766.db2.gz OHXHXNVZLJXKNG-UXHICEINSA-N 1 3 370.541 2.211 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)Cc2ccccc2C1 ZINC000497489662 561501767 /nfs/dbraw/zinc/50/17/67/561501767.db2.gz OHXHXNVZLJXKNG-UXHICEINSA-N 1 3 370.541 2.211 20 0 FEADHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000497835956 561509656 /nfs/dbraw/zinc/50/96/56/561509656.db2.gz LIURIRLUFBXDNS-QGZVFWFLSA-N 1 3 362.518 2.304 20 0 FEADHO CN1CCN(CCCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000498203552 561518403 /nfs/dbraw/zinc/51/84/03/561518403.db2.gz DOIWTBHUAXTUSG-VWPQPMDRSA-N 1 3 372.557 2.389 20 0 FEADHO CCN1C[C@@H](C)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000498915335 561537672 /nfs/dbraw/zinc/53/76/72/561537672.db2.gz MQFGMVDAGIQTJK-RBUKOAKNSA-N 1 3 372.557 2.313 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000285595321 551780119 /nfs/dbraw/zinc/78/01/19/551780119.db2.gz JLJYCSDWKFAXLH-GOSISDBHSA-N 1 3 356.518 2.336 20 0 FEADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000286638121 551909147 /nfs/dbraw/zinc/90/91/47/551909147.db2.gz NQFRHONZXPTWRP-HKUYNNGSSA-N 1 3 374.529 2.395 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000287201638 551975681 /nfs/dbraw/zinc/97/56/81/551975681.db2.gz UDVGYYQKRWIHTL-DFNIBXOVSA-N 1 3 374.529 2.394 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000287201638 551975682 /nfs/dbraw/zinc/97/56/82/551975682.db2.gz UDVGYYQKRWIHTL-DFNIBXOVSA-N 1 3 374.529 2.394 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000287458006 552006712 /nfs/dbraw/zinc/00/67/12/552006712.db2.gz XKYBWQJDITUOTD-CEXWTWQISA-N 1 3 360.502 2.224 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000287458006 552006713 /nfs/dbraw/zinc/00/67/13/552006713.db2.gz XKYBWQJDITUOTD-CEXWTWQISA-N 1 3 360.502 2.224 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287549317 552017879 /nfs/dbraw/zinc/01/78/79/552017879.db2.gz FNESYTMJIYIWKF-SFHVURJKSA-N 1 3 356.518 2.336 20 0 FEADHO CC[N@@H+]1CC[C@H](NC[C@@](C)(O)Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000290265329 552450723 /nfs/dbraw/zinc/45/07/23/552450723.db2.gz VQOBQDARQIJQEZ-KNBMTAEXSA-N 1 3 350.503 2.317 20 0 FEADHO CC[N@H+]1CC[C@H](NC[C@@](C)(O)Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000290265329 552450725 /nfs/dbraw/zinc/45/07/25/552450725.db2.gz VQOBQDARQIJQEZ-KNBMTAEXSA-N 1 3 350.503 2.317 20 0 FEADHO CCOC(=O)c1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000290581150 552501579 /nfs/dbraw/zinc/50/15/79/552501579.db2.gz NURRPQCZDQFRPR-UHFFFAOYSA-N 1 3 373.497 2.152 20 0 FEADHO CN1CC[NH+](CCCNCc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000291118215 552589101 /nfs/dbraw/zinc/58/91/01/552589101.db2.gz UKZVHKOBYWCIHS-UHFFFAOYSA-N 1 3 371.884 2.252 20 0 FEADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(CCOC)cc2)CC1 ZINC000292843258 552764065 /nfs/dbraw/zinc/76/40/65/552764065.db2.gz PSQRUYCOJPVWFD-HXUWFJFHSA-N 1 3 364.530 2.421 20 0 FEADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(CCOC)cc2)CC1 ZINC000292843258 552764068 /nfs/dbraw/zinc/76/40/68/552764068.db2.gz PSQRUYCOJPVWFD-HXUWFJFHSA-N 1 3 364.530 2.421 20 0 FEADHO COc1cc(CN2C[C@@H](O)C(C)(C)C2)cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1 ZINC000292982009 552777315 /nfs/dbraw/zinc/77/73/15/552777315.db2.gz RDQWAYSNBCIXHE-RTBURBONSA-N 1 3 362.514 2.101 20 0 FEADHO COc1cc(CN2C[C@@H](O)C(C)(C)C2)cc(C[N@H+]2C[C@@H](O)C(C)(C)C2)c1 ZINC000292982009 552777317 /nfs/dbraw/zinc/77/73/17/552777317.db2.gz RDQWAYSNBCIXHE-RTBURBONSA-N 1 3 362.514 2.101 20 0 FEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](O)CC1 ZINC000293121334 552790799 /nfs/dbraw/zinc/79/07/99/552790799.db2.gz MHIQONKNGYCRHN-PXNSSMCTSA-N 1 3 359.514 2.003 20 0 FEADHO Fc1cc(C[NH2+]C2CCN(c3ccncc3)CC2)cnc1N1CCOCC1 ZINC000294298584 552895104 /nfs/dbraw/zinc/89/51/04/552895104.db2.gz UVLVHTQKKYPFFA-UHFFFAOYSA-N 1 3 371.460 2.211 20 0 FEADHO O=C(N[C@H]1CCCN(CCCO)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000295629444 553036229 /nfs/dbraw/zinc/03/62/29/553036229.db2.gz ZFDUCCZYVQMZOH-FQEVSTJZSA-N 1 3 359.514 2.249 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000296964515 553235836 /nfs/dbraw/zinc/23/58/36/553235836.db2.gz IDIBBQZBGHITAZ-AYHJJNSGSA-N 1 3 360.502 2.051 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000296964515 553235839 /nfs/dbraw/zinc/23/58/39/553235839.db2.gz IDIBBQZBGHITAZ-AYHJJNSGSA-N 1 3 360.502 2.051 20 0 FEADHO CC(C)[NH+]1CCC(O)(CNCc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000297590183 553312698 /nfs/dbraw/zinc/31/26/98/553312698.db2.gz JDUMGULHJPLOPY-SFHVURJKSA-N 1 3 361.530 2.237 20 0 FEADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCC(=O)NC1CCN(C2CC2)CC1 ZINC000503225546 561637278 /nfs/dbraw/zinc/63/72/78/561637278.db2.gz YUAXEDFVQARQBF-YLJYHZDGSA-N 1 3 364.578 2.220 20 0 FEADHO COc1cc2nccc(N3CC[NH+](C[C@H]4CCOC4)CC3)c2cc1OC ZINC000298927250 553490695 /nfs/dbraw/zinc/49/06/95/553490695.db2.gz PBLQLRIUJUZKCW-OAHLLOKOSA-N 1 3 357.454 2.411 20 0 FEADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCCN(Cc2ccccc2)CC1 ZINC000323818825 553770361 /nfs/dbraw/zinc/77/03/61/553770361.db2.gz NJTYRBMGXCBJGK-VXKWHMMOSA-N 1 3 353.510 2.125 20 0 FEADHO CN(C)C1(CNC(=O)NCC2(C)CC[NH+](C)CC2)Cc2ccccc2C1 ZINC000508446884 561762477 /nfs/dbraw/zinc/76/24/77/561762477.db2.gz AZEVUSPAKRAVAX-UHFFFAOYSA-N 1 3 358.530 2.117 20 0 FEADHO C[C@H]1NC(=O)N(CCN(C)[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000331849797 554330196 /nfs/dbraw/zinc/33/01/96/554330196.db2.gz CETDJVSTROEGQK-NTDBWNAOSA-N 1 3 372.513 2.015 20 0 FEADHO C[C@H]1NC(=O)N(CCN(C)[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000331849797 554330198 /nfs/dbraw/zinc/33/01/98/554330198.db2.gz CETDJVSTROEGQK-NTDBWNAOSA-N 1 3 372.513 2.015 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCNCC[C@H]3C)CC2)cc1 ZINC000333242277 554593475 /nfs/dbraw/zinc/59/34/75/554593475.db2.gz FDFJHUSGBPGECY-VQIMIIECSA-N 1 3 365.543 2.126 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)c2)CC1 ZINC000333276826 554597695 /nfs/dbraw/zinc/59/76/95/554597695.db2.gz GYTNFANWFMVRIC-HXUWFJFHSA-N 1 3 357.502 2.046 20 0 FEADHO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc4c(c3)CNCCO4)C2)CC1 ZINC000333284739 554598627 /nfs/dbraw/zinc/59/86/27/554598627.db2.gz IDYDVPMLKYIIRI-INIZCTEOSA-N 1 3 358.486 2.364 20 0 FEADHO C[C@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C[C@@H]1C[NH3+] ZINC000333444879 554613943 /nfs/dbraw/zinc/61/39/43/554613943.db2.gz WPQZXCCWVLPCMV-IRXDYDNUSA-N 1 3 368.591 2.364 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000333703758 554634954 /nfs/dbraw/zinc/63/49/54/554634954.db2.gz RETRULDCQSQGFH-KRWDZBQOSA-N 1 3 366.550 2.194 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000333703760 554635150 /nfs/dbraw/zinc/63/51/50/554635150.db2.gz RETRULDCQSQGFH-QGZVFWFLSA-N 1 3 366.550 2.194 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000333753278 554639264 /nfs/dbraw/zinc/63/92/64/554639264.db2.gz ZIGSMENBGMRDRY-NZSAHSFTSA-N 1 3 359.518 2.076 20 0 FEADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC3CCN(Cc4cccs4)CC3)C[C@@H]12 ZINC000333858587 554650029 /nfs/dbraw/zinc/65/00/29/554650029.db2.gz YUQLOTASFHODDV-KBAYOESNSA-N 1 3 362.543 2.339 20 0 FEADHO [NH3+]CC[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000333946300 554659506 /nfs/dbraw/zinc/65/95/06/554659506.db2.gz UMPBXXXGHRUIFB-INIZCTEOSA-N 1 3 354.564 2.118 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)[C@H](C)C1 ZINC000510985783 561853037 /nfs/dbraw/zinc/85/30/37/561853037.db2.gz SKVTVKFNNGYDSE-NVXWUHKLSA-N 1 3 361.486 2.244 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000361035519 554901525 /nfs/dbraw/zinc/90/15/25/554901525.db2.gz NTGRJVWYGRZDDQ-XUVXKRRUSA-N 1 3 356.514 2.374 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000361035519 554901526 /nfs/dbraw/zinc/90/15/26/554901526.db2.gz NTGRJVWYGRZDDQ-XUVXKRRUSA-N 1 3 356.514 2.374 20 0 FEADHO CC(C)CCC[C@H](C)NC(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362263548 554959343 /nfs/dbraw/zinc/95/93/43/554959343.db2.gz WVLPARWEIFSBKJ-AZUAARDMSA-N 1 3 366.594 2.418 20 0 FEADHO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(OCCN(C)C)cc1 ZINC000363784282 555185621 /nfs/dbraw/zinc/18/56/21/555185621.db2.gz MSEOWEZATMOKDA-WMZOPIPTSA-N 1 3 357.502 2.290 20 0 FEADHO C[C@@H]1C[C@H]1N1C[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)CC1=O ZINC000363914303 555212825 /nfs/dbraw/zinc/21/28/25/555212825.db2.gz QWTGRNUHHHJILA-PLMTUMEDSA-N 1 3 370.541 2.316 20 0 FEADHO CC(C)(O)CN1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000364162631 555261268 /nfs/dbraw/zinc/26/12/68/555261268.db2.gz TUAXTTUZFPDGPK-HXUWFJFHSA-N 1 3 373.541 2.204 20 0 FEADHO CC(C)(O)CN1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000364162631 555261270 /nfs/dbraw/zinc/26/12/70/555261270.db2.gz TUAXTTUZFPDGPK-HXUWFJFHSA-N 1 3 373.541 2.204 20 0 FEADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000364220164 555272928 /nfs/dbraw/zinc/27/29/28/555272928.db2.gz KVYHVJPEZJOGMJ-DBXWQHBBSA-N 1 3 359.514 2.287 20 0 FEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000364220164 555272930 /nfs/dbraw/zinc/27/29/30/555272930.db2.gz KVYHVJPEZJOGMJ-DBXWQHBBSA-N 1 3 359.514 2.287 20 0 FEADHO COCC[NH2+]CC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccc(Cl)c1 ZINC000364849423 555414845 /nfs/dbraw/zinc/41/48/45/555414845.db2.gz HDPDGGVIIJHGAA-QAPCUYQASA-N 1 3 353.894 2.075 20 0 FEADHO CN1CCC(n2ccc(=NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)[nH]2)CC1 ZINC000365502399 555592417 /nfs/dbraw/zinc/59/24/17/555592417.db2.gz CCNQZDDDJKOISN-UHFFFAOYSA-N 1 3 362.522 2.581 20 0 FEADHO O=C1c2ccccc2C(=O)N1CCNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000366266390 555796784 /nfs/dbraw/zinc/79/67/84/555796784.db2.gz HXGHBLLBBTVBPV-GOSISDBHSA-N 1 3 363.461 2.394 20 0 FEADHO O=C1c2ccccc2C(=O)N1CCNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366266390 555796786 /nfs/dbraw/zinc/79/67/86/555796786.db2.gz HXGHBLLBBTVBPV-GOSISDBHSA-N 1 3 363.461 2.394 20 0 FEADHO CC[C@@H](C)[C@H](N)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366328752 555813303 /nfs/dbraw/zinc/81/33/03/555813303.db2.gz VWHRYOZONJOQEE-APWZRJJASA-N 1 3 352.567 2.015 20 0 FEADHO CC1CCC(N2CCC([N@H+](C)C[C@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000366923394 555971240 /nfs/dbraw/zinc/97/12/40/555971240.db2.gz DKPDUPJBIFJEGS-TVRKMHQQSA-N 1 3 371.591 2.243 20 0 FEADHO CC1CCC(N2CCC([N@@H+](C)C[C@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000366923394 555971245 /nfs/dbraw/zinc/97/12/45/555971245.db2.gz DKPDUPJBIFJEGS-TVRKMHQQSA-N 1 3 371.591 2.243 20 0 FEADHO CC1CCC([NH+]2CCC(N(C)C[C@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000366923394 555971248 /nfs/dbraw/zinc/97/12/48/555971248.db2.gz DKPDUPJBIFJEGS-TVRKMHQQSA-N 1 3 371.591 2.243 20 0 FEADHO CC1CC[NH+](CC2CCN(C[C@@H](O)COCC(F)(F)F)CC2)CC1 ZINC000367911411 556170586 /nfs/dbraw/zinc/17/05/86/556170586.db2.gz NSNZLUJNJPZWDA-MRXNPFEDSA-N 1 3 352.441 2.370 20 0 FEADHO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000368494909 556326266 /nfs/dbraw/zinc/32/62/66/556326266.db2.gz HJQDRYOQNAUOJP-JTDSTZFVSA-N 1 3 361.555 2.497 20 0 FEADHO CN1CCN(CC2(C)CC[NH+](C[C@H](O)CCc3ccccc3)CC2)CC1 ZINC000368832260 556425171 /nfs/dbraw/zinc/42/51/71/556425171.db2.gz DDDDULDVNFWQSM-OAQYLSRUSA-N 1 3 359.558 2.330 20 0 FEADHO C[C@@H](CN1CCCCC1)NC(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000368917876 556448099 /nfs/dbraw/zinc/44/80/99/556448099.db2.gz WZDVAUXJHHNXNH-KRWDZBQOSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCCCC[NH+]1CCCC1 ZINC000369392590 556588355 /nfs/dbraw/zinc/58/83/55/556588355.db2.gz IBYLDGBLYRXZJD-QYZOEREBSA-N 1 3 366.550 2.051 20 0 FEADHO C[C@@H](CNC(=O)N1CCCN(C2CCOCC2)CC1)C[NH+]1CCCCC1 ZINC000369528972 556621676 /nfs/dbraw/zinc/62/16/76/556621676.db2.gz AALGMKUYKKQXJO-SFHVURJKSA-N 1 3 366.550 2.005 20 0 FEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000370369772 556852847 /nfs/dbraw/zinc/85/28/47/556852847.db2.gz LBVHYQNWLMPHTD-SFHVURJKSA-N 1 3 351.535 2.116 20 0 FEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000370369772 556852848 /nfs/dbraw/zinc/85/28/48/556852848.db2.gz LBVHYQNWLMPHTD-SFHVURJKSA-N 1 3 351.535 2.116 20 0 FEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000370634160 556926095 /nfs/dbraw/zinc/92/60/95/556926095.db2.gz KFNNAYGRZLVYAB-KAGYGMCKSA-N 1 3 371.573 2.050 20 0 FEADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371306784 557139126 /nfs/dbraw/zinc/13/91/26/557139126.db2.gz XWMORQPYHXTCLI-GHTZIAJQSA-N 1 3 372.557 2.134 20 0 FEADHO C[C@H](C[C@H](C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)NC(=O)OC(C)(C)C ZINC000371336677 557152106 /nfs/dbraw/zinc/15/21/06/557152106.db2.gz QIDVJLTZRNWGPF-GVDBMIGSSA-N 1 3 368.566 2.436 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000517425337 562090134 /nfs/dbraw/zinc/09/01/34/562090134.db2.gz ZOMDJODIFQVGSN-INIZCTEOSA-N 1 3 366.550 2.192 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000517425337 562090135 /nfs/dbraw/zinc/09/01/35/562090135.db2.gz ZOMDJODIFQVGSN-INIZCTEOSA-N 1 3 366.550 2.192 20 0 FEADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000372192075 557404865 /nfs/dbraw/zinc/40/48/65/557404865.db2.gz LHQRWFRPPFPEGA-UXPWSPDFSA-N 1 3 361.530 2.105 20 0 FEADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000372192075 557404866 /nfs/dbraw/zinc/40/48/66/557404866.db2.gz LHQRWFRPPFPEGA-UXPWSPDFSA-N 1 3 361.530 2.105 20 0 FEADHO CC(C)N(C(=O)[C@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000372367721 557451800 /nfs/dbraw/zinc/45/18/00/557451800.db2.gz HNUFWUAFBMOWTB-HKUYNNGSSA-N 1 3 352.567 2.121 20 0 FEADHO C[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)CCCN(C)CC[NH+](C)C ZINC000519664155 562139078 /nfs/dbraw/zinc/13/90/78/562139078.db2.gz AEJKFHVOHIKXNT-OAHLLOKOSA-N 1 3 354.926 2.482 20 0 FEADHO C[C@@H]1CN(Cc2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)N4)cc2)C[C@@H](C)O1 ZINC000372896316 557584147 /nfs/dbraw/zinc/58/41/47/557584147.db2.gz BMHOKAKUHANNBY-SMOSDQRPSA-N 1 3 357.498 2.262 20 0 FEADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373218149 557652276 /nfs/dbraw/zinc/65/22/76/557652276.db2.gz QXHBLSOLEUZEEZ-RMJJICAUSA-N 1 3 364.578 2.265 20 0 FEADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373218146 557652329 /nfs/dbraw/zinc/65/23/29/557652329.db2.gz QXHBLSOLEUZEEZ-AJYBTWMASA-N 1 3 364.578 2.265 20 0 FEADHO C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373446121 557695380 /nfs/dbraw/zinc/69/53/80/557695380.db2.gz UPJNFVRYZFKYSJ-SHARSMKWSA-N 1 3 362.440 2.185 20 0 FEADHO C[N@H+]1CCC[C@@H]1CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373446121 557695382 /nfs/dbraw/zinc/69/53/82/557695382.db2.gz UPJNFVRYZFKYSJ-SHARSMKWSA-N 1 3 362.440 2.185 20 0 FEADHO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCCC[C@H](CO)C2)CC1 ZINC000374051162 557814453 /nfs/dbraw/zinc/81/44/53/557814453.db2.gz PXEVCPJPUWOTMI-FQEVSTJZSA-N 1 3 373.541 2.124 20 0 FEADHO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCCC[C@H](CO)C2)CC1 ZINC000374051162 557814454 /nfs/dbraw/zinc/81/44/54/557814454.db2.gz PXEVCPJPUWOTMI-FQEVSTJZSA-N 1 3 373.541 2.124 20 0 FEADHO C[N@H+](C[C@@H]1CC12CCN(CCN1C(=O)c3ccccc3C1=O)CC2)C1CC1 ZINC000374317333 557864438 /nfs/dbraw/zinc/86/44/38/557864438.db2.gz KXVGGAJKLPSBMH-INIZCTEOSA-N 1 3 367.493 2.479 20 0 FEADHO C[N@@H+](C[C@@H]1CC12CCN(CCN1C(=O)c3ccccc3C1=O)CC2)C1CC1 ZINC000374317333 557864440 /nfs/dbraw/zinc/86/44/40/557864440.db2.gz KXVGGAJKLPSBMH-INIZCTEOSA-N 1 3 367.493 2.479 20 0 FEADHO CC(C)[C@H](C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)N1CCCCC1 ZINC000374402109 557879393 /nfs/dbraw/zinc/87/93/93/557879393.db2.gz SELRVWMQKLJYEZ-WJFTUGDTSA-N 1 3 351.535 2.207 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2CCC1CC2 ZINC000375218008 557993581 /nfs/dbraw/zinc/99/35/81/557993581.db2.gz JVTDPLVKCVCXCO-XLIONFOSSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2CCC1CC2 ZINC000375218008 557993583 /nfs/dbraw/zinc/99/35/83/557993583.db2.gz JVTDPLVKCVCXCO-XLIONFOSSA-N 1 3 356.514 2.387 20 0 FEADHO COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H]1CCN(C3CCN(C)CC3)C1)CC2 ZINC000375647118 558061767 /nfs/dbraw/zinc/06/17/67/558061767.db2.gz BSFXSMSODVSDFL-APWZRJJASA-N 1 3 359.514 2.449 20 0 FEADHO Cc1ccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c(OCCN(C)C)c1 ZINC000376177076 558136836 /nfs/dbraw/zinc/13/68/36/558136836.db2.gz FCKMPBHCNMNBSL-WMZOPIPTSA-N 1 3 360.502 2.493 20 0 FEADHO Cc1ccc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c(OCCN(C)C)c1 ZINC000376177076 558136837 /nfs/dbraw/zinc/13/68/37/558136837.db2.gz FCKMPBHCNMNBSL-WMZOPIPTSA-N 1 3 360.502 2.493 20 0 FEADHO C[C@H](NC(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000376798980 558222887 /nfs/dbraw/zinc/22/28/87/558222887.db2.gz MBWFFNCHZWBDEG-RDJZCZTQSA-N 1 3 364.559 2.026 20 0 FEADHO CCN(CC)C(=O)[C@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378007440 558462191 /nfs/dbraw/zinc/46/21/91/558462191.db2.gz PVTWWILAGNJGGP-SFHVURJKSA-N 1 3 366.594 2.371 20 0 FEADHO Cc1nnc(N2CCC([NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000378630821 558598065 /nfs/dbraw/zinc/59/80/65/558598065.db2.gz HTBNOQKREKPTBW-GJZGRUSLSA-N 1 3 367.563 2.294 20 0 FEADHO COCC1(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000382736016 558604003 /nfs/dbraw/zinc/60/40/03/558604003.db2.gz HWCZBONZFKNTMV-GOSISDBHSA-N 1 3 359.514 2.126 20 0 FEADHO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000391012662 558613164 /nfs/dbraw/zinc/61/31/64/558613164.db2.gz WZMGJXDLQYWYOP-OALUTQOASA-N 1 3 359.514 2.172 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1CN(C)C ZINC000411249173 558860769 /nfs/dbraw/zinc/86/07/69/558860769.db2.gz YXYVKBXOSVDUIU-KRWDZBQOSA-N 1 3 374.529 2.232 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)ccc1CN(C)C ZINC000411249173 558860770 /nfs/dbraw/zinc/86/07/70/558860770.db2.gz YXYVKBXOSVDUIU-KRWDZBQOSA-N 1 3 374.529 2.232 20 0 FEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413973289 559144352 /nfs/dbraw/zinc/14/43/52/559144352.db2.gz CLKOVQDRTLKKLT-HDICACEKSA-N 1 3 359.514 2.003 20 0 FEADHO C[N@@H+]1CCC[C@@H](CCN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000414184724 559151986 /nfs/dbraw/zinc/15/19/86/559151986.db2.gz OFGOICFQKDOGGM-KBXCAEBGSA-N 1 3 351.516 2.033 20 0 FEADHO C[N@H+]1CCC[C@@H](CCN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000414184724 559151987 /nfs/dbraw/zinc/15/19/87/559151987.db2.gz OFGOICFQKDOGGM-KBXCAEBGSA-N 1 3 351.516 2.033 20 0 FEADHO CN1CCC(C[NH2+]C2CC(c3cccc(F)c3)C2)(N2CCOCC2)CC1 ZINC000414187844 559152083 /nfs/dbraw/zinc/15/20/83/559152083.db2.gz IMGMPADFPQYKGX-UHFFFAOYSA-N 1 3 361.505 2.458 20 0 FEADHO COc1ccc(C)cc1[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414188851 559152243 /nfs/dbraw/zinc/15/22/43/559152243.db2.gz JJEZOZCTRPDHHZ-SFHVURJKSA-N 1 3 361.530 2.451 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C12CCCC2 ZINC000414196979 559152535 /nfs/dbraw/zinc/15/25/35/559152535.db2.gz OZCBIUQYSRQZDM-RBUKOAKNSA-N 1 3 365.562 2.110 20 0 FEADHO C[NH+]1CCC(CN[C@H]2CCc3c2c(F)ccc3F)(N2CCOCC2)CC1 ZINC000414204791 559152925 /nfs/dbraw/zinc/15/29/25/559152925.db2.gz WSAXYAQJJUAJNT-SFHVURJKSA-N 1 3 365.468 2.338 20 0 FEADHO CN1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000414307882 559155532 /nfs/dbraw/zinc/15/55/32/559155532.db2.gz PPHBPYNLOWPVGA-QHAWAJNXSA-N 1 3 357.542 2.476 20 0 FEADHO CC[NH+]1CCC(CCNCc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000414355881 559158081 /nfs/dbraw/zinc/15/80/81/559158081.db2.gz CQEKWVHHVRNEAC-UHFFFAOYSA-N 1 3 359.923 2.199 20 0 FEADHO C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414682858 559179468 /nfs/dbraw/zinc/17/94/68/559179468.db2.gz SBHZWXPGVKNXHU-ZDUSSCGKSA-N 1 3 359.392 2.214 20 0 FEADHO C[N@H+](Cc1ccccc1OC(F)(F)F)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414682858 559179469 /nfs/dbraw/zinc/17/94/69/559179469.db2.gz SBHZWXPGVKNXHU-ZDUSSCGKSA-N 1 3 359.392 2.214 20 0 FEADHO CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000414694419 559180210 /nfs/dbraw/zinc/18/02/10/559180210.db2.gz SSMRRFLCZVCMTM-DYXWJJEUSA-N 1 3 372.557 2.341 20 0 FEADHO CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000414694419 559180211 /nfs/dbraw/zinc/18/02/11/559180211.db2.gz SSMRRFLCZVCMTM-DYXWJJEUSA-N 1 3 372.557 2.341 20 0 FEADHO Cc1cccc(NC(=O)CN2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1C ZINC000414746833 559184431 /nfs/dbraw/zinc/18/44/31/559184431.db2.gz ZWGDINRRNNPRLY-HKUYNNGSSA-N 1 3 358.530 2.248 20 0 FEADHO C[N@H+](CCOc1ccccc1C(C)(C)C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414762095 559186139 /nfs/dbraw/zinc/18/61/39/559186139.db2.gz KNHKTOGOIWXMCT-QGZVFWFLSA-N 1 3 361.530 2.492 20 0 FEADHO C[N@@H+](CCOc1ccccc1C(C)(C)C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414762095 559186140 /nfs/dbraw/zinc/18/61/40/559186140.db2.gz KNHKTOGOIWXMCT-QGZVFWFLSA-N 1 3 361.530 2.492 20 0 FEADHO C[N@H+](CCOc1ccccc1C(C)(C)C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414762093 559186170 /nfs/dbraw/zinc/18/61/70/559186170.db2.gz KNHKTOGOIWXMCT-KRWDZBQOSA-N 1 3 361.530 2.492 20 0 FEADHO C[N@@H+](CCOc1ccccc1C(C)(C)C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414762093 559186171 /nfs/dbraw/zinc/18/61/71/559186171.db2.gz KNHKTOGOIWXMCT-KRWDZBQOSA-N 1 3 361.530 2.492 20 0 FEADHO Cc1ccc2cc(CNC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)ccc2n1 ZINC000414972084 559198087 /nfs/dbraw/zinc/19/80/87/559198087.db2.gz LWXXZSNUBBENGE-QGZVFWFLSA-N 1 3 352.404 2.469 20 0 FEADHO Cc1ccc(-c2ncc(CN[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)s2)o1 ZINC000414986360 559199022 /nfs/dbraw/zinc/19/90/22/559199022.db2.gz IUQMLPUFGSOTBH-QAPCUYQASA-N 1 3 374.510 2.448 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000415031142 559201467 /nfs/dbraw/zinc/20/14/67/559201467.db2.gz GNHHRHOOCRVVNZ-WBVHZDCISA-N 1 3 372.513 2.114 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000415031142 559201468 /nfs/dbraw/zinc/20/14/68/559201468.db2.gz GNHHRHOOCRVVNZ-WBVHZDCISA-N 1 3 372.513 2.114 20 0 FEADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415063629 559203329 /nfs/dbraw/zinc/20/33/29/559203329.db2.gz AQUHLEHHFRXOTG-RDJZCZTQSA-N 1 3 362.543 2.479 20 0 FEADHO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415069547 559203674 /nfs/dbraw/zinc/20/36/74/559203674.db2.gz OYEGXTIQOMMCNQ-KRWDZBQOSA-N 1 3 362.543 2.351 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC000415151051 559209214 /nfs/dbraw/zinc/20/92/14/559209214.db2.gz FCBCZAHQKQLZNX-YZVOILCLSA-N 1 3 368.481 2.452 20 0 FEADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(CNC)c1 ZINC000415160981 559210348 /nfs/dbraw/zinc/21/03/48/559210348.db2.gz HYDKWUXVJLQNRL-MJGOQNOKSA-N 1 3 374.529 2.361 20 0 FEADHO C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H](c1ccccc1)N(C)C ZINC000415162062 559210553 /nfs/dbraw/zinc/21/05/53/559210553.db2.gz VTJJQUUZJBNUAO-IFXJQAMLSA-N 1 3 366.465 2.036 20 0 FEADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000415162077 559210555 /nfs/dbraw/zinc/21/05/55/559210555.db2.gz VVSBGJDKLXMVNH-DNVCBOLYSA-N 1 3 368.481 2.152 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CCCN(C)Cc2ccco2)cc1 ZINC000415220551 559216001 /nfs/dbraw/zinc/21/60/01/559216001.db2.gz XNWLETSZVLTTMX-HNNXBMFYSA-N 1 3 372.469 2.218 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000415455762 559239048 /nfs/dbraw/zinc/23/90/48/559239048.db2.gz UPRDIKSEZOAMQM-UHFFFAOYSA-N 1 3 374.529 2.158 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])c2)CC1 ZINC000415497592 559243628 /nfs/dbraw/zinc/24/36/28/559243628.db2.gz IFOUCNGWJUBZOE-VQIMIIECSA-N 1 3 359.518 2.468 20 0 FEADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415506598 559244752 /nfs/dbraw/zinc/24/47/52/559244752.db2.gz SSXGOOOVAWVNAH-GOSISDBHSA-N 1 3 360.502 2.245 20 0 FEADHO CN1CCC(n2ccc(=NC(=O)N[C@H](CCC[NH3+])c3ccccc3)[nH]2)CC1 ZINC000415624298 559256096 /nfs/dbraw/zinc/25/60/96/559256096.db2.gz KJXRQBPMPHWLJO-GOSISDBHSA-N 1 3 370.501 2.752 20 0 FEADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416008960 559288915 /nfs/dbraw/zinc/28/89/15/559288915.db2.gz OGXSJAMQHBEMPG-CQSZACIVSA-N 1 3 360.424 2.476 20 0 FEADHO CCCN(CCN1CCN(CC)CC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416011277 559289089 /nfs/dbraw/zinc/28/90/89/559289089.db2.gz PMOFZGWKZYZYQJ-UHFFFAOYSA-N 1 3 359.518 2.171 20 0 FEADHO CN1CCN(CCC(C)(C)NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416209329 559298557 /nfs/dbraw/zinc/29/85/57/559298557.db2.gz JZINUMSPFWQGLC-LJQANCHMSA-N 1 3 360.546 2.212 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)NC[C@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000416832457 559334390 /nfs/dbraw/zinc/33/43/90/559334390.db2.gz BOYAODYUICCEEW-ICSRJNTNSA-N 1 3 362.518 2.137 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416968332 559340698 /nfs/dbraw/zinc/34/06/98/559340698.db2.gz ALAIATBMIZOFPA-FQEVSTJZSA-N 1 3 356.514 2.229 20 0 FEADHO O=C(NCC[C@H]1CCC[NH2+]C1)NC1CCN(CCc2ccccc2)CC1 ZINC000416972896 559341212 /nfs/dbraw/zinc/34/12/12/559341212.db2.gz IXZGDEMODRFZIU-LJQANCHMSA-N 1 3 358.530 2.382 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417022472 559344303 /nfs/dbraw/zinc/34/43/03/559344303.db2.gz KVWRYQZUBOSRCC-CTNGQTDRSA-N 1 3 370.541 2.466 20 0 FEADHO C[C@@H](CCC[NH3+])NC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417158855 559350473 /nfs/dbraw/zinc/35/04/73/559350473.db2.gz WKJYLJOBNPRIDR-SFHVURJKSA-N 1 3 361.534 2.015 20 0 FEADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417314087 559357215 /nfs/dbraw/zinc/35/72/15/559357215.db2.gz YBXRCSKOMJUTEC-UFYCRDLUSA-N 1 3 356.514 2.292 20 0 FEADHO Cc1ccc([C@H](CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)N2CCCC2)cc1 ZINC000417350747 559358693 /nfs/dbraw/zinc/35/86/93/559358693.db2.gz BCWDNKOLOMZTBH-AQNXPRMDSA-N 1 3 356.514 2.383 20 0 FEADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)N2CCCC2)cc1 ZINC000417352841 559358810 /nfs/dbraw/zinc/35/88/10/559358810.db2.gz HHHYWEVDPYLDCP-AQNXPRMDSA-N 1 3 356.514 2.383 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417374960 559359802 /nfs/dbraw/zinc/35/98/02/559359802.db2.gz ZTJGVAYTTSMEGE-MJGOQNOKSA-N 1 3 374.529 2.158 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417374300 559359863 /nfs/dbraw/zinc/35/98/63/559359863.db2.gz XXQBLUYNHZFYGU-DOTOQJQBSA-N 1 3 362.543 2.496 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417380580 559360246 /nfs/dbraw/zinc/36/02/46/559360246.db2.gz KRBYTHGMQDYZHZ-SJORKVTESA-N 1 3 362.543 2.211 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000417497826 559364675 /nfs/dbraw/zinc/36/46/75/559364675.db2.gz BRICKHHXDIPEQO-UXHICEINSA-N 1 3 374.529 2.232 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000417518135 559365773 /nfs/dbraw/zinc/36/57/73/559365773.db2.gz RTSDWFUXGZKOEW-WDSOQIARSA-N 1 3 362.518 2.075 20 0 FEADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417680837 559372203 /nfs/dbraw/zinc/37/22/03/559372203.db2.gz JISUJRZLESRCGP-RTBURBONSA-N 1 3 358.530 2.496 20 0 FEADHO COC[C@@]1(CNC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CCC[NH2+]1 ZINC000417689551 559372608 /nfs/dbraw/zinc/37/26/08/559372608.db2.gz KKAQPUMSXBPITN-UWJYYQICSA-N 1 3 374.529 2.280 20 0 FEADHO CCC(CC)(CNC(=O)NC[C@@H]1CNCCO1)[NH2+][C@H](C)c1ccccc1 ZINC000417707283 559373500 /nfs/dbraw/zinc/37/35/00/559373500.db2.gz QFQPLLPQHNMNQY-AEFFLSMTSA-N 1 3 362.518 2.184 20 0 FEADHO CC[NH2+]CC1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000417735181 559374663 /nfs/dbraw/zinc/37/46/63/559374663.db2.gz LCGPRTJQSRQBKR-UHFFFAOYSA-N 1 3 358.530 2.117 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417831986 559378441 /nfs/dbraw/zinc/37/84/41/559378441.db2.gz SRKHRQODIYMBOI-GTAWCEEGSA-N 1 3 356.514 2.148 20 0 FEADHO [NH3+]C1(CNC(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CCC1 ZINC000417833776 559378546 /nfs/dbraw/zinc/37/85/46/559378546.db2.gz UTAYAUBTIUTEJJ-UHFFFAOYSA-N 1 3 374.529 2.238 20 0 FEADHO CC(C)C[C@@H](CNC(=O)N1CCOC2(CNC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417868937 559380170 /nfs/dbraw/zinc/38/01/70/559380170.db2.gz GYKKKAKKGMZVNF-MJGOQNOKSA-N 1 3 374.529 2.136 20 0 FEADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCCN1C ZINC000417993280 559385608 /nfs/dbraw/zinc/38/56/08/559385608.db2.gz AIXPRZFNMGCBEA-IWKCEXAMSA-N 1 3 362.493 2.301 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CCCN1C ZINC000418013827 559386550 /nfs/dbraw/zinc/38/65/50/559386550.db2.gz ZUQSJQVIWRFWBF-OLUCIUBSSA-N 1 3 366.456 2.192 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CCCN1C ZINC000418013825 559386651 /nfs/dbraw/zinc/38/66/51/559386651.db2.gz ZUQSJQVIWRFWBF-FOZNTRSISA-N 1 3 366.456 2.192 20 0 FEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418021814 559386935 /nfs/dbraw/zinc/38/69/35/559386935.db2.gz AHPMJHACOIITQW-UFYCRDLUSA-N 1 3 358.530 2.394 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000418020127 559386979 /nfs/dbraw/zinc/38/69/79/559386979.db2.gz ZDZABXBHMXBJES-YLJYHZDGSA-N 1 3 374.529 2.046 20 0 FEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000418033792 559387273 /nfs/dbraw/zinc/38/72/73/559387273.db2.gz NVFOEGQXBKHZLG-CVEARBPZSA-N 1 3 356.461 2.425 20 0 FEADHO C[C@]1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000418042147 559387804 /nfs/dbraw/zinc/38/78/04/559387804.db2.gz LGZKDIVWLHOCFD-QKNQBKEWSA-N 1 3 356.514 2.292 20 0 FEADHO C[C@H]1CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H](C)CN1 ZINC000418112813 559390424 /nfs/dbraw/zinc/39/04/24/559390424.db2.gz ZEMQXTYKMPGPPH-XOEAPDPESA-N 1 3 362.440 2.184 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N(CCC[NH3+])Cc2ccccc2)CCCO1 ZINC000418110236 559390439 /nfs/dbraw/zinc/39/04/39/559390439.db2.gz DRSBLCMHCIZKJQ-GOSISDBHSA-N 1 3 362.518 2.048 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CC1 ZINC000418152519 559392083 /nfs/dbraw/zinc/39/20/83/559392083.db2.gz UBWWMYAJKTYUSO-XUVXKRRUSA-N 1 3 356.514 2.148 20 0 FEADHO C[C@H]1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C[C@H]1C[NH3+] ZINC000418162670 559392485 /nfs/dbraw/zinc/39/24/85/559392485.db2.gz GMFXTBYJJQCGJX-FUHWJXTLSA-N 1 3 374.529 2.286 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)N3CCC[C@H](CC[NH3+])C3)cc2)CC1 ZINC000418168460 559392733 /nfs/dbraw/zinc/39/27/33/559392733.db2.gz LZTOVNMMBRXQOH-GOSISDBHSA-N 1 3 374.529 2.430 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000418191126 559393491 /nfs/dbraw/zinc/39/34/91/559393491.db2.gz KFBXFEGLQXHTPT-LMNJBCLMSA-N 1 3 356.514 2.435 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NCCC[NH2+]C2CC2)N(C)C)cc1 ZINC000418232144 559394814 /nfs/dbraw/zinc/39/48/14/559394814.db2.gz MCEYBIXOJIOTFV-QGZVFWFLSA-N 1 3 350.532 2.453 20 0 FEADHO [NH3+]C1(CNC(=O)NCCCNCc2cccnc2)C2CC3CC(C2)CC1C3 ZINC000418326030 559397494 /nfs/dbraw/zinc/39/74/94/559397494.db2.gz JNFRKGNPXDHIPJ-UHFFFAOYSA-N 1 3 371.529 2.014 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000418354840 559398750 /nfs/dbraw/zinc/39/87/50/559398750.db2.gz WRFBBLUUACRNOM-AEFFLSMTSA-N 1 3 362.518 2.157 20 0 FEADHO O=C(N[C@@H]1CCCC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000418365935 559399267 /nfs/dbraw/zinc/39/92/67/559399267.db2.gz INASQFAHSUJZRN-XUVXKRRUSA-N 1 3 356.514 2.292 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418516190 559404697 /nfs/dbraw/zinc/40/46/97/559404697.db2.gz JGXNBCPGXABQAH-LJQANCHMSA-N 1 3 373.545 2.467 20 0 FEADHO O=C(NCc1ccc2c(c1)CNC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000418548132 559405597 /nfs/dbraw/zinc/40/55/97/559405597.db2.gz CMMRXUHJLWPLTJ-XLIONFOSSA-N 1 3 354.498 2.448 20 0 FEADHO O=C(NCc1ccc2c(c1)CNC2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000418548132 559405598 /nfs/dbraw/zinc/40/55/98/559405598.db2.gz CMMRXUHJLWPLTJ-XLIONFOSSA-N 1 3 354.498 2.448 20 0 FEADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418551693 559405789 /nfs/dbraw/zinc/40/57/89/559405789.db2.gz BMMPUXHWIJXAJP-AZUAARDMSA-N 1 3 358.530 2.335 20 0 FEADHO CCN1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000418558446 559406209 /nfs/dbraw/zinc/40/62/09/559406209.db2.gz BSGYEELBFTYQKH-MAUKXSAKSA-N 1 3 366.456 2.148 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418596395 559407304 /nfs/dbraw/zinc/40/73/04/559407304.db2.gz OXNWRXNXFSBISE-DYVFJYSZSA-N 1 3 354.445 2.036 20 0 FEADHO COCC1(CNC(=O)N(CCN(C)C)CC2CCCCC2)CC[NH2+]CC1 ZINC000418636648 559408816 /nfs/dbraw/zinc/40/88/16/559408816.db2.gz HTDTVIZAFACTQC-UHFFFAOYSA-N 1 3 368.566 2.156 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000418804175 559416742 /nfs/dbraw/zinc/41/67/42/559416742.db2.gz WTJAWHMYKFXLJN-CEXWTWQISA-N 1 3 374.529 2.157 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418807022 559416929 /nfs/dbraw/zinc/41/69/29/559416929.db2.gz YTXDFSMJEHHJQK-CGTJXYLNSA-N 1 3 362.493 2.287 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCOCC2CCC2)CC1 ZINC000419206272 559432507 /nfs/dbraw/zinc/43/25/07/559432507.db2.gz MKHCAXHJDPTIDV-UHFFFAOYSA-N 1 3 353.551 2.219 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1COCc2ccccc21 ZINC000419553787 559447607 /nfs/dbraw/zinc/44/76/07/559447607.db2.gz GMWQPVPUKLOUDZ-AZUAARDMSA-N 1 3 374.529 2.315 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1COCc2ccccc21 ZINC000419553787 559447608 /nfs/dbraw/zinc/44/76/08/559447608.db2.gz GMWQPVPUKLOUDZ-AZUAARDMSA-N 1 3 374.529 2.315 20 0 FEADHO Cc1c(Br)cccc1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420284260 559478802 /nfs/dbraw/zinc/47/88/02/559478802.db2.gz CRCCTAZXFOTXNI-CQSZACIVSA-N 1 3 354.292 2.044 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000420303928 559479359 /nfs/dbraw/zinc/47/93/59/559479359.db2.gz NYXPERKTRBPRFV-FKBYEOEOSA-N 1 3 354.494 2.456 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000420303928 559479360 /nfs/dbraw/zinc/47/93/60/559479360.db2.gz NYXPERKTRBPRFV-FKBYEOEOSA-N 1 3 354.494 2.456 20 0 FEADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H](COCc2ccccc2)C1 ZINC000420303928 559479361 /nfs/dbraw/zinc/47/93/61/559479361.db2.gz NYXPERKTRBPRFV-FKBYEOEOSA-N 1 3 354.494 2.456 20 0 FEADHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2cccc(Cl)c2)CC12CCOCC2 ZINC000420337697 559481731 /nfs/dbraw/zinc/48/17/31/559481731.db2.gz WXRNZGLCIYDZGC-CQSZACIVSA-N 1 3 351.878 2.356 20 0 FEADHO NC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)CC12CCOCC2 ZINC000420337697 559481732 /nfs/dbraw/zinc/48/17/32/559481732.db2.gz WXRNZGLCIYDZGC-CQSZACIVSA-N 1 3 351.878 2.356 20 0 FEADHO NC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC12CCOCC2 ZINC000420337697 559481733 /nfs/dbraw/zinc/48/17/33/559481733.db2.gz WXRNZGLCIYDZGC-CQSZACIVSA-N 1 3 351.878 2.356 20 0 FEADHO Cc1ccc(CN2CCCN(C(=O)CN[C@@H]3[C@@H](C)CC[NH2+][C@H]3C)CC2)cc1 ZINC000420380117 559484231 /nfs/dbraw/zinc/48/42/31/559484231.db2.gz YCKJIBXUTFQJPS-CNNODRBYSA-N 1 3 372.557 2.005 20 0 FEADHO O=C1N[C@@H]2CN(C[C@H]3CCCC(F)(F)C3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420401858 559485819 /nfs/dbraw/zinc/48/58/19/559485819.db2.gz LHTVUXXZCHWJJE-IMJJTQAJSA-N 1 3 356.461 2.032 20 0 FEADHO CCc1ccc(CCN2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420409841 559486253 /nfs/dbraw/zinc/48/62/53/559486253.db2.gz WGKOOBJJYHSJEG-PMACEKPBSA-N 1 3 356.514 2.012 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000421017967 559519944 /nfs/dbraw/zinc/51/99/44/559519944.db2.gz VWRMLHFVFXFRMH-AZUAARDMSA-N 1 3 364.578 2.173 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000421017967 559519945 /nfs/dbraw/zinc/51/99/45/559519945.db2.gz VWRMLHFVFXFRMH-AZUAARDMSA-N 1 3 364.578 2.173 20 0 FEADHO C[NH+](C)C1CCC(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC1 ZINC000422006733 559560180 /nfs/dbraw/zinc/56/01/80/559560180.db2.gz MJBZCBGKJZUJAI-UHFFFAOYSA-N 1 3 373.541 2.494 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000422707426 559603680 /nfs/dbraw/zinc/60/36/80/559603680.db2.gz AAOOTROFBIZKCU-DZGCQCFKSA-N 1 3 359.561 2.038 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCC[C@H]2CN)s1 ZINC000422707426 559603681 /nfs/dbraw/zinc/60/36/81/559603681.db2.gz AAOOTROFBIZKCU-DZGCQCFKSA-N 1 3 359.561 2.038 20 0 FEADHO CC(C)CN1CCO[C@H](CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422755331 559605625 /nfs/dbraw/zinc/60/56/25/559605625.db2.gz BFGACWGHRZYAKU-QFUCXCTJSA-N 1 3 359.514 2.189 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000422780888 559606297 /nfs/dbraw/zinc/60/62/97/559606297.db2.gz KYKJREOTMGHISB-UDTPNQRGSA-N 1 3 367.921 2.055 20 0 FEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000422786490 559606647 /nfs/dbraw/zinc/60/66/47/559606647.db2.gz OZQTVCRKOGNQHH-JKSUJKDBSA-N 1 3 350.507 2.142 20 0 FEADHO CCN1CCN(c2ccc(CN[C@@H](Cc3ccccc3)[C@H](C)[NH3+])cn2)CC1 ZINC000422874558 559609399 /nfs/dbraw/zinc/60/93/99/559609399.db2.gz AJSDYNUCLMPIDO-RXVVDRJESA-N 1 3 367.541 2.272 20 0 FEADHO CCN1CCN(c2ccc(C[NH2+][C@@H](Cc3ccccc3)[C@H](C)N)cn2)CC1 ZINC000422874558 559609400 /nfs/dbraw/zinc/60/94/00/559609400.db2.gz AJSDYNUCLMPIDO-RXVVDRJESA-N 1 3 367.541 2.272 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000422900837 559610364 /nfs/dbraw/zinc/61/03/64/559610364.db2.gz JZNRNZJKNSFXSE-QZTJIDSGSA-N 1 3 353.532 2.264 20 0 FEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000422941489 559612399 /nfs/dbraw/zinc/61/23/99/559612399.db2.gz OSWDSHBZJJRWQK-FUHWJXTLSA-N 1 3 351.516 2.078 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422992167 559614224 /nfs/dbraw/zinc/61/42/24/559614224.db2.gz QSRRVSRWVRVYJD-ZFZWDLNGSA-N 1 3 360.420 2.198 20 0 FEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422992167 559614225 /nfs/dbraw/zinc/61/42/25/559614225.db2.gz QSRRVSRWVRVYJD-ZFZWDLNGSA-N 1 3 360.420 2.198 20 0 FEADHO CCOC(=O)C1([C@@H](C)NC2(C(=O)Nc3ccccc3)CC2)CC[NH2+]CC1 ZINC000423066372 559617163 /nfs/dbraw/zinc/61/71/63/559617163.db2.gz WTUKUYULKJKOFL-OAHLLOKOSA-N 1 3 359.470 2.069 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423078810 559617817 /nfs/dbraw/zinc/61/78/17/559617817.db2.gz WUTZCVNBLYWOBD-UPWFSPPHSA-N 1 3 350.478 2.241 20 0 FEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423078810 559617818 /nfs/dbraw/zinc/61/78/18/559617818.db2.gz WUTZCVNBLYWOBD-UPWFSPPHSA-N 1 3 350.478 2.241 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2C[C@H](C)CCN2)c1 ZINC000423343161 559625986 /nfs/dbraw/zinc/62/59/86/559625986.db2.gz ZIRXOSDMMASYRT-CRAIPNDOSA-N 1 3 360.502 2.085 20 0 FEADHO Cc1ccc([C@H](CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)N(C)C)cc1 ZINC000423344556 559626210 /nfs/dbraw/zinc/62/62/10/559626210.db2.gz NBTLPZALAKZGGI-MOPGFXCFSA-N 1 3 355.486 2.149 20 0 FEADHO CC(C)[C@@H](C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000423439340 559629201 /nfs/dbraw/zinc/62/92/01/559629201.db2.gz WIDUJDREOOAZHJ-VXIBKDFQSA-N 1 3 353.551 2.344 20 0 FEADHO N[C@H](CC1CCCCC1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000423442964 559629213 /nfs/dbraw/zinc/62/92/13/559629213.db2.gz PXIIZSKVDGFJHH-LJQANCHMSA-N 1 3 351.535 2.388 20 0 FEADHO CO[C@@H](C[NH3+])CC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423748784 559638070 /nfs/dbraw/zinc/63/80/70/559638070.db2.gz BGCBYPBOPWOOGJ-QGZVFWFLSA-N 1 3 353.894 2.128 20 0 FEADHO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)ccc1OCC(=O)N1CCCC1 ZINC000424370241 559662212 /nfs/dbraw/zinc/66/22/12/559662212.db2.gz SLZDVYQIQRKPTJ-IAGOWNOFSA-N 1 3 361.486 2.056 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000424439201 559664881 /nfs/dbraw/zinc/66/48/81/559664881.db2.gz NEXZTFYAUMPXCV-INIZCTEOSA-N 1 3 360.502 2.163 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000424439201 559664882 /nfs/dbraw/zinc/66/48/82/559664882.db2.gz NEXZTFYAUMPXCV-INIZCTEOSA-N 1 3 360.502 2.163 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000424439711 559664990 /nfs/dbraw/zinc/66/49/90/559664990.db2.gz OVSRWYSVDBTFKM-IRXDYDNUSA-N 1 3 374.529 2.267 20 0 FEADHO CO[C@H](C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)C1CC1 ZINC000425428167 559701811 /nfs/dbraw/zinc/70/18/11/559701811.db2.gz WFUTXIQNORPPGC-OAQYLSRUSA-N 1 3 373.541 2.372 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[N@@H+]1C ZINC000425473124 559704127 /nfs/dbraw/zinc/70/41/27/559704127.db2.gz WZMFUOPYQDVPFP-BTHPGYMESA-N 1 3 356.514 2.385 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[N@H+]1C ZINC000425473124 559704128 /nfs/dbraw/zinc/70/41/28/559704128.db2.gz WZMFUOPYQDVPFP-BTHPGYMESA-N 1 3 356.514 2.385 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425475128 559704157 /nfs/dbraw/zinc/70/41/57/559704157.db2.gz LQZGFAJHVIGASJ-SVFBPWRDSA-N 1 3 368.525 2.387 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425475128 559704158 /nfs/dbraw/zinc/70/41/58/559704158.db2.gz LQZGFAJHVIGASJ-SVFBPWRDSA-N 1 3 368.525 2.387 20 0 FEADHO O=C(C[C@@H]1CC[NH2+]C1)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000427289182 559752339 /nfs/dbraw/zinc/75/23/39/559752339.db2.gz TUUUZUWAQCOWIO-HNNXBMFYSA-N 1 3 365.905 2.299 20 0 FEADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000429531834 559800612 /nfs/dbraw/zinc/80/06/12/559800612.db2.gz WTZFDWQRYWCRJI-CQSZACIVSA-N 1 3 366.893 2.184 20 0 FEADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000429531834 559800613 /nfs/dbraw/zinc/80/06/13/559800613.db2.gz WTZFDWQRYWCRJI-CQSZACIVSA-N 1 3 366.893 2.184 20 0 FEADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430915030 559830185 /nfs/dbraw/zinc/83/01/85/559830185.db2.gz BIORVPQHBTZJCB-ZWKOTPCHSA-N 1 3 372.557 2.215 20 0 FEADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000431027780 559832716 /nfs/dbraw/zinc/83/27/16/559832716.db2.gz KWGDMKGEFNXPSV-UXHICEINSA-N 1 3 373.545 2.008 20 0 FEADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000431027778 559832749 /nfs/dbraw/zinc/83/27/49/559832749.db2.gz KWGDMKGEFNXPSV-PMACEKPBSA-N 1 3 373.545 2.008 20 0 FEADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NCCC[NH+]1CCCC1 ZINC000432803085 559865177 /nfs/dbraw/zinc/86/51/77/559865177.db2.gz DZYDGIOLTVOHHG-OALUTQOASA-N 1 3 359.518 2.202 20 0 FEADHO CC[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433009908 559869967 /nfs/dbraw/zinc/86/99/67/559869967.db2.gz AGZWNWLWYABKNP-KRWDZBQOSA-N 1 3 353.532 2.291 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(CCC(C)(C)C)CC2)CCCO1 ZINC000433457047 559881883 /nfs/dbraw/zinc/88/18/83/559881883.db2.gz OGDCVTIULVEEOC-GOSISDBHSA-N 1 3 368.566 2.251 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(CCC(C)(C)C)CC2)CCCO1 ZINC000433457047 559881884 /nfs/dbraw/zinc/88/18/84/559881884.db2.gz OGDCVTIULVEEOC-GOSISDBHSA-N 1 3 368.566 2.251 20 0 FEADHO CC1(C)Cc2cc(CN3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)ccc2O1 ZINC000435380391 559921906 /nfs/dbraw/zinc/92/19/06/559921906.db2.gz QXAAZHBUNYNMBP-IEBWSBKVSA-N 1 3 371.525 2.480 20 0 FEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000436492228 559943056 /nfs/dbraw/zinc/94/30/56/559943056.db2.gz YQKWBMGLHFXGMH-HNNXBMFYSA-N 1 3 350.511 2.077 20 0 FEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000436492228 559943057 /nfs/dbraw/zinc/94/30/57/559943057.db2.gz YQKWBMGLHFXGMH-HNNXBMFYSA-N 1 3 350.511 2.077 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000438780040 559983620 /nfs/dbraw/zinc/98/36/20/559983620.db2.gz QCGJAWFRRHVDJX-MRXNPFEDSA-N 1 3 374.529 2.184 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000440283155 560008127 /nfs/dbraw/zinc/00/81/27/560008127.db2.gz OMPOLNJMHPNADC-OALUTQOASA-N 1 3 351.535 2.353 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000440283154 560008166 /nfs/dbraw/zinc/00/81/66/560008166.db2.gz OMPOLNJMHPNADC-MOPGFXCFSA-N 1 3 351.535 2.353 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000441042755 560022207 /nfs/dbraw/zinc/02/22/07/560022207.db2.gz RFZXBLPIVUONBL-GOSISDBHSA-N 1 3 366.550 2.053 20 0 FEADHO COc1cc(NC(=O)CCN2C[C@H](C[NH3+])C[C@H]2C)c(OC)cc1Cl ZINC000442763614 560056563 /nfs/dbraw/zinc/05/65/63/560056563.db2.gz BCLYBCFKHWBEQC-NEPJUHHUSA-N 1 3 355.866 2.355 20 0 FEADHO CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443070341 560069214 /nfs/dbraw/zinc/06/92/14/560069214.db2.gz LASQYLKQBROVBP-CQSZACIVSA-N 1 3 355.429 2.307 20 0 FEADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000443079616 560069595 /nfs/dbraw/zinc/06/95/95/560069595.db2.gz ZRGFJJWMQPPYGR-JYJNAYRXSA-N 1 3 361.486 2.084 20 0 FEADHO C[C@H](O)[C@H]1C[C@H](C)CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000443332386 560080413 /nfs/dbraw/zinc/08/04/13/560080413.db2.gz XTXZRCCNSZQOSY-LVCYWYKZSA-N 1 3 373.541 2.380 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000446287668 560143778 /nfs/dbraw/zinc/14/37/78/560143778.db2.gz JEYAEKMMMIXPSC-JZJXAQOMSA-N 1 3 371.525 2.472 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000446290013 560143812 /nfs/dbraw/zinc/14/38/12/560143812.db2.gz UJIJRHYKPNWWJL-NNMXDRDESA-N 1 3 371.525 2.431 20 0 FEADHO COc1ccc([C@H](CCn2cncn2)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000446750451 560151096 /nfs/dbraw/zinc/15/10/96/560151096.db2.gz GRHSNNOBIACLID-UZLBHIALSA-N 1 3 355.486 2.492 20 0 FEADHO COc1ccc([C@H](CCn2cncn2)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000446750451 560151097 /nfs/dbraw/zinc/15/10/97/560151097.db2.gz GRHSNNOBIACLID-UZLBHIALSA-N 1 3 355.486 2.492 20 0 FEADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCOCCN(C)C ZINC000447602975 560165111 /nfs/dbraw/zinc/16/51/11/560165111.db2.gz UUIMVCAQBXVJBN-ZDUSSCGKSA-N 1 3 372.307 2.334 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCOCCN(C)C ZINC000447599176 560165199 /nfs/dbraw/zinc/16/51/99/560165199.db2.gz XDORMQIZENYWFX-CYBMUJFWSA-N 1 3 372.307 2.334 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449079970 560215210 /nfs/dbraw/zinc/21/52/10/560215210.db2.gz ROTQWQHDQHMANH-MRXNPFEDSA-N 1 3 359.493 2.342 20 0 FEADHO CO[C@H]1C[C@@H](NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1(C)C ZINC000451486821 560309919 /nfs/dbraw/zinc/30/99/19/560309919.db2.gz FCVFXVLLTVVXMX-UXHICEINSA-N 1 3 373.541 2.479 20 0 FEADHO CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCCCN3C)C2)CC1 ZINC000451526136 560312282 /nfs/dbraw/zinc/31/22/82/560312282.db2.gz BPCIKRVGGGAOQB-RTWAWAEBSA-N 1 3 364.578 2.127 20 0 FEADHO CC(=O)N1CCCN(C[C@@H]2CCC[N@H+](CC[C@@H]3CCCCN3C)C2)CC1 ZINC000451526136 560312283 /nfs/dbraw/zinc/31/22/83/560312283.db2.gz BPCIKRVGGGAOQB-RTWAWAEBSA-N 1 3 364.578 2.127 20 0 FEADHO COc1cc(CN2C[C@H](C)C[C@H](O)C2)cc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)c1 ZINC000452066797 560349174 /nfs/dbraw/zinc/34/91/74/560349174.db2.gz GRLDLNNZNRIGPH-YKCBXCCJSA-N 1 3 362.514 2.101 20 0 FEADHO COc1cc(CN2C[C@H](C)C[C@H](O)C2)cc(C[N@H+]2C[C@H](C)C[C@H](O)C2)c1 ZINC000452066797 560349175 /nfs/dbraw/zinc/34/91/75/560349175.db2.gz GRLDLNNZNRIGPH-YKCBXCCJSA-N 1 3 362.514 2.101 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1)C1CC1 ZINC000452343011 560358646 /nfs/dbraw/zinc/35/86/46/560358646.db2.gz ALNKQCZAYQIJKQ-FQEVSTJZSA-N 1 3 359.514 2.248 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1)C1CC1 ZINC000452343011 560358647 /nfs/dbraw/zinc/35/86/47/560358647.db2.gz ALNKQCZAYQIJKQ-FQEVSTJZSA-N 1 3 359.514 2.248 20 0 FEADHO CC1(C)C[N@H+](CCC(=O)NC(N)=O)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453007310 560380839 /nfs/dbraw/zinc/38/08/39/560380839.db2.gz CXPONERJIPRLAR-IBGZPJMESA-N 1 3 372.513 2.194 20 0 FEADHO CC1(C)C[N@@H+](CCC(=O)NC(N)=O)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453007310 560380840 /nfs/dbraw/zinc/38/08/40/560380840.db2.gz CXPONERJIPRLAR-IBGZPJMESA-N 1 3 372.513 2.194 20 0 FEADHO OC1CCN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453358156 560385838 /nfs/dbraw/zinc/38/58/38/560385838.db2.gz JYHRIEYJYWKYSZ-YPAWHYETSA-N 1 3 357.542 2.476 20 0 FEADHO OC1CCN(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453358156 560385839 /nfs/dbraw/zinc/38/58/39/560385839.db2.gz JYHRIEYJYWKYSZ-YPAWHYETSA-N 1 3 357.542 2.476 20 0 FEADHO OC1CCN(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453358156 560385840 /nfs/dbraw/zinc/38/58/40/560385840.db2.gz JYHRIEYJYWKYSZ-YPAWHYETSA-N 1 3 357.542 2.476 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455673570 560491436 /nfs/dbraw/zinc/49/14/36/560491436.db2.gz YCGLVIGCYNNJKY-HZPDHXFCSA-N 1 3 364.538 2.323 20 0 FEADHO C[N@H+](CCCCNC(=O)CCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000457194507 560555473 /nfs/dbraw/zinc/55/54/73/560555473.db2.gz FEEUXKOPTZCBOJ-UHFFFAOYSA-N 1 3 358.530 2.189 20 0 FEADHO C[N@@H+](CCCCNC(=O)CCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000457194507 560555475 /nfs/dbraw/zinc/55/54/75/560555475.db2.gz FEEUXKOPTZCBOJ-UHFFFAOYSA-N 1 3 358.530 2.189 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H](C4CC4)[C@@H]3C3CC3)CC2)CC1 ZINC000458142974 560605217 /nfs/dbraw/zinc/60/52/17/560605217.db2.gz ZUAMUOUMJASEJC-PMACEKPBSA-N 1 3 360.546 2.375 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000459065575 560664768 /nfs/dbraw/zinc/66/47/68/560664768.db2.gz UGTJFQPHOCUJGS-YQQQUEKLSA-N 1 3 374.529 2.394 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000459065575 560664770 /nfs/dbraw/zinc/66/47/70/560664770.db2.gz UGTJFQPHOCUJGS-YQQQUEKLSA-N 1 3 374.529 2.394 20 0 FEADHO CN(CCCN(C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)Cc1ccco1 ZINC000459330165 560679928 /nfs/dbraw/zinc/67/99/28/560679928.db2.gz ZFCHUVMHSZKNGI-KRWDZBQOSA-N 1 3 350.507 2.475 20 0 FEADHO CN(CCCN(C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)Cc1ccco1 ZINC000459330165 560679930 /nfs/dbraw/zinc/67/99/30/560679930.db2.gz ZFCHUVMHSZKNGI-KRWDZBQOSA-N 1 3 350.507 2.475 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCOC1CCCCC1 ZINC000465706715 560871371 /nfs/dbraw/zinc/87/13/71/560871371.db2.gz CNPXZDDQCRPXTK-GOSISDBHSA-N 1 3 368.566 2.393 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCOC1CCCCC1 ZINC000465706715 560871372 /nfs/dbraw/zinc/87/13/72/560871372.db2.gz CNPXZDDQCRPXTK-GOSISDBHSA-N 1 3 368.566 2.393 20 0 FEADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000465751063 560872138 /nfs/dbraw/zinc/87/21/38/560872138.db2.gz IRHMJLFJOYGZJI-MISYRCLQSA-N 1 3 354.498 2.478 20 0 FEADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000465751063 560872139 /nfs/dbraw/zinc/87/21/39/560872139.db2.gz IRHMJLFJOYGZJI-MISYRCLQSA-N 1 3 354.498 2.478 20 0 FEADHO CC[C@@]1(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CCC[NH2+]1 ZINC000467706937 560915245 /nfs/dbraw/zinc/91/52/45/560915245.db2.gz MDRKHQITBFQBJJ-CTNGQTDRSA-N 1 3 358.530 2.014 20 0 FEADHO CC[C@]1(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CCC[NH2+]1 ZINC000467706941 560915358 /nfs/dbraw/zinc/91/53/58/560915358.db2.gz MDRKHQITBFQBJJ-TZIWHRDSSA-N 1 3 358.530 2.014 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H](C)C[NH+]3CCCCC3)CC2)c1 ZINC000468443328 560930189 /nfs/dbraw/zinc/93/01/89/560930189.db2.gz FRPCLIXTXPTMSZ-HXUWFJFHSA-N 1 3 372.557 2.498 20 0 FEADHO C[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N1CCC[C@@H](C)C1 ZINC000470734534 560988312 /nfs/dbraw/zinc/98/83/12/560988312.db2.gz AWRYCVNKLUYWMY-AOIWGVFYSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N1CCC[C@@H](C)C1 ZINC000470734534 560988313 /nfs/dbraw/zinc/98/83/13/560988313.db2.gz AWRYCVNKLUYWMY-AOIWGVFYSA-N 1 3 350.551 2.480 20 0 FEADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000472493168 561027760 /nfs/dbraw/zinc/02/77/60/561027760.db2.gz DAKXOHKGPNPBON-UHFFFAOYSA-N 1 3 374.529 2.064 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000476382895 561118059 /nfs/dbraw/zinc/11/80/59/561118059.db2.gz YBLXWVQAWVYIMK-KRWDZBQOSA-N 1 3 354.539 2.051 20 0 FEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCOC)CCN(C)C)C1 ZINC000477222987 561139739 /nfs/dbraw/zinc/13/97/39/561139739.db2.gz OLMZDRBKWRKVJZ-KRWDZBQOSA-N 1 3 356.555 2.107 20 0 FEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCOC)CCN(C)C)C1 ZINC000477222987 561139740 /nfs/dbraw/zinc/13/97/40/561139740.db2.gz OLMZDRBKWRKVJZ-KRWDZBQOSA-N 1 3 356.555 2.107 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)CC1 ZINC000528750508 562345794 /nfs/dbraw/zinc/34/57/94/562345794.db2.gz ANNXZHPZJKWRBB-ORGXJRBJSA-N 1 3 373.541 2.477 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529347612 562370347 /nfs/dbraw/zinc/37/03/47/562370347.db2.gz AQSMSVQCHNYNII-IEBWSBKVSA-N 1 3 356.514 2.435 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529365997 562371204 /nfs/dbraw/zinc/37/12/04/562371204.db2.gz LCXBZPXSHBVCFU-RTBURBONSA-N 1 3 371.529 2.362 20 0 FEADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000529387602 562372075 /nfs/dbraw/zinc/37/20/75/562372075.db2.gz QJLFLCRZWBMQPV-DZFGPLHGSA-N 1 3 366.509 2.364 20 0 FEADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000529387602 562372076 /nfs/dbraw/zinc/37/20/76/562372076.db2.gz QJLFLCRZWBMQPV-DZFGPLHGSA-N 1 3 366.509 2.364 20 0 FEADHO C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1)N(C)C ZINC000529510106 562376033 /nfs/dbraw/zinc/37/60/33/562376033.db2.gz QINXPTXPUCZVQQ-CGTJXYLNSA-N 1 3 372.538 2.425 20 0 FEADHO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1)N(C)C ZINC000529510106 562376034 /nfs/dbraw/zinc/37/60/34/562376034.db2.gz QINXPTXPUCZVQQ-CGTJXYLNSA-N 1 3 372.538 2.425 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000530024305 562394574 /nfs/dbraw/zinc/39/45/74/562394574.db2.gz LBCNKCGGIKHBJV-AZUAARDMSA-N 1 3 356.514 2.427 20 0 FEADHO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000530024305 562394575 /nfs/dbraw/zinc/39/45/75/562394575.db2.gz LBCNKCGGIKHBJV-AZUAARDMSA-N 1 3 356.514 2.427 20 0 FEADHO COc1ccc2c(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1 ZINC000530242950 562403916 /nfs/dbraw/zinc/40/39/16/562403916.db2.gz VWISYTVIDRVIIZ-SFHVURJKSA-N 1 3 372.465 2.392 20 0 FEADHO C[C@H](CNC(=O)CC1(N2CCOCC2)CCCC1)[N@@H+]1CCCC[C@H]1C ZINC000530571865 562416300 /nfs/dbraw/zinc/41/63/00/562416300.db2.gz OHBUQAZANLZUHX-QZTJIDSGSA-N 1 3 351.535 2.401 20 0 FEADHO C[C@H](CNC(=O)CC1(N2CCOCC2)CCCC1)[N@H+]1CCCC[C@H]1C ZINC000530571865 562416301 /nfs/dbraw/zinc/41/63/01/562416301.db2.gz OHBUQAZANLZUHX-QZTJIDSGSA-N 1 3 351.535 2.401 20 0 FEADHO C[C@@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000530572274 562416344 /nfs/dbraw/zinc/41/63/44/562416344.db2.gz HTSHCMPZDPIQDH-LVCYWYKZSA-N 1 3 359.514 2.003 20 0 FEADHO C[C@@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000530572274 562416345 /nfs/dbraw/zinc/41/63/45/562416345.db2.gz HTSHCMPZDPIQDH-LVCYWYKZSA-N 1 3 359.514 2.003 20 0 FEADHO C[NH+](C)Cc1cccc(CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000530805123 562424396 /nfs/dbraw/zinc/42/43/96/562424396.db2.gz TVFVJIKWLDFHPS-QFIPXVFZSA-N 1 3 367.493 2.001 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(OCc2ccccc2)nc1 ZINC000530880622 562427154 /nfs/dbraw/zinc/42/71/54/562427154.db2.gz GDRBQWVBPKOSFW-UHFFFAOYSA-N 1 3 370.497 2.226 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000531357168 562443250 /nfs/dbraw/zinc/44/32/50/562443250.db2.gz JQTDPQZYWRMPIH-UHFFFAOYSA-N 1 3 361.408 2.036 20 0 FEADHO NC(=O)CC1CCCC[N@@H+]1CCN1c2cccc3cccc(c23)S1(=O)=O ZINC000532950579 562493485 /nfs/dbraw/zinc/49/34/85/562493485.db2.gz OWUGBIOPDRFVTJ-OAHLLOKOSA-N 1 3 373.478 2.078 20 0 FEADHO NC(=O)CC1CCCC[N@H+]1CCN1c2cccc3cccc(c23)S1(=O)=O ZINC000532950579 562493486 /nfs/dbraw/zinc/49/34/86/562493486.db2.gz OWUGBIOPDRFVTJ-OAHLLOKOSA-N 1 3 373.478 2.078 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]([C@H](C)O)C1 ZINC000534845142 562543716 /nfs/dbraw/zinc/54/37/16/562543716.db2.gz UKDJTEFIFZEEFS-WSTZPKSXSA-N 1 3 373.541 2.249 20 0 FEADHO C[NH+](C)CCCC1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000535042829 562549351 /nfs/dbraw/zinc/54/93/51/562549351.db2.gz TYMVXWIFVPLRHJ-QFIPXVFZSA-N 1 3 373.541 2.204 20 0 FEADHO CN1CC[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC000535435619 562558690 /nfs/dbraw/zinc/55/86/90/562558690.db2.gz HYXSGQFYDNAVHF-WOJBJXKFSA-N 1 3 374.529 2.184 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669110455 567881393 /nfs/dbraw/zinc/88/13/93/567881393.db2.gz ZHDQOERQWQLQHA-AZUAARDMSA-N 1 3 356.514 2.087 20 0 FEADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000563093382 568119747 /nfs/dbraw/zinc/11/97/47/568119747.db2.gz RGIGKTGPZPLZLK-CVEARBPZSA-N 1 3 354.539 2.225 20 0 FEADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000604184214 568222417 /nfs/dbraw/zinc/22/24/17/568222417.db2.gz JIEOXSAZJAYYBD-MOPGFXCFSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000604184214 568222418 /nfs/dbraw/zinc/22/24/18/568222418.db2.gz JIEOXSAZJAYYBD-MOPGFXCFSA-N 1 3 356.514 2.435 20 0 FEADHO C[NH+](C)CCCOc1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000604192829 568223934 /nfs/dbraw/zinc/22/39/34/568223934.db2.gz ZCLFEYWPKYFGEE-KRWDZBQOSA-N 1 3 360.502 2.053 20 0 FEADHO COc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1-c1nnn[n-]1 ZINC000826193635 608378018 /nfs/dbraw/zinc/37/80/18/608378018.db2.gz JOSPXQCGNCPPJF-UHFFFAOYSA-N 1 3 358.490 2.429 20 0 FEADHO COc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1-c1nn[n-]n1 ZINC000826193635 608378020 /nfs/dbraw/zinc/37/80/20/608378020.db2.gz JOSPXQCGNCPPJF-UHFFFAOYSA-N 1 3 358.490 2.429 20 0 FEADHO COCCCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000813291434 674733851 /nfs/dbraw/zinc/73/38/51/674733851.db2.gz NDISTFBVPGOSHP-LJQANCHMSA-N 1 3 357.514 2.158 20 0 FEADHO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC1CNC1 ZINC000563054941 674840231 /nfs/dbraw/zinc/84/02/31/674840231.db2.gz CHBMTEINBHVZGL-UHFFFAOYSA-N 1 3 374.312 2.262 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)[C@H]3CCCOC3)CC2)CC1 ZINC000569706781 670600522 /nfs/dbraw/zinc/60/05/22/670600522.db2.gz PIBOSFCADQFGHO-AEFFLSMTSA-N 1 3 351.535 2.114 20 0 FEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCC(OC)CC1 ZINC000080124703 670616352 /nfs/dbraw/zinc/61/63/52/670616352.db2.gz RALYHBHWEIYDPW-QGZVFWFLSA-N 1 3 354.539 2.051 20 0 FEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCC(OC)CC1 ZINC000080124703 670616357 /nfs/dbraw/zinc/61/63/57/670616357.db2.gz RALYHBHWEIYDPW-QGZVFWFLSA-N 1 3 354.539 2.051 20 0 FEADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000570625766 670742343 /nfs/dbraw/zinc/74/23/43/670742343.db2.gz KJQNTSMJPJSFMK-NEXFUWMNSA-N 1 3 362.440 2.361 20 0 FEADHO COc1cccc2c1CCC[C@@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000570792719 670770197 /nfs/dbraw/zinc/77/01/97/670770197.db2.gz JSQRNYRVPLYALL-RDJZCZTQSA-N 1 3 357.420 2.498 20 0 FEADHO COc1cccc2c1CCC[C@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000570792718 670770356 /nfs/dbraw/zinc/77/03/56/670770356.db2.gz JSQRNYRVPLYALL-NVXWUHKLSA-N 1 3 357.420 2.498 20 0 FEADHO CSC1(CN[C@H](Cc2ccc(Cl)cc2)C(N)=O)CC[NH+](C)CC1 ZINC000565983615 675165606 /nfs/dbraw/zinc/16/56/06/675165606.db2.gz MFEVQXLFJWBZCP-OAHLLOKOSA-N 1 3 355.935 2.153 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000576218966 671352691 /nfs/dbraw/zinc/35/26/91/671352691.db2.gz IDCBIVSCKMTXQF-WCQYABFASA-N 1 3 350.264 2.451 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000576218966 671352695 /nfs/dbraw/zinc/35/26/95/671352695.db2.gz IDCBIVSCKMTXQF-WCQYABFASA-N 1 3 350.264 2.451 20 0 FEADHO CC[C@@H]1C[C@H](NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCO1 ZINC000579732454 671757134 /nfs/dbraw/zinc/75/71/34/671757134.db2.gz UZSRYPSAAKKGEY-IEBWSBKVSA-N 1 3 351.535 2.257 20 0 FEADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCCOc1ccc(Cl)cc1 ZINC000583203717 672073823 /nfs/dbraw/zinc/07/38/23/672073823.db2.gz HIEKEZOILNWREO-HOTGVXAUSA-N 1 3 365.905 2.157 20 0 FEADHO CC(C)([NH3+])CC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000178805288 672395572 /nfs/dbraw/zinc/39/55/72/672395572.db2.gz FSFAMIRSYDYSNE-UHFFFAOYSA-N 1 3 353.894 2.427 20 0 FEADHO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCCN1CCCC1 ZINC000184847661 672508907 /nfs/dbraw/zinc/50/89/07/672508907.db2.gz LNGGIYJYZIBARI-IRXDYDNUSA-N 1 3 355.523 2.476 20 0 FEADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCCN1CCCC1 ZINC000184847641 672509012 /nfs/dbraw/zinc/50/90/12/672509012.db2.gz LNGGIYJYZIBARI-IAGOWNOFSA-N 1 3 355.523 2.476 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000536867590 673381574 /nfs/dbraw/zinc/38/15/74/673381574.db2.gz DFBMDFYDDRTFMU-IUODEOHRSA-N 1 3 354.292 2.109 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000536867590 673381577 /nfs/dbraw/zinc/38/15/77/673381577.db2.gz DFBMDFYDDRTFMU-IUODEOHRSA-N 1 3 354.292 2.109 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2c(OC)cccc2OC)CC[NH2+]CC1 ZINC000596651433 673400960 /nfs/dbraw/zinc/40/09/60/673400960.db2.gz PQZMLPARGDEMPD-CQSZACIVSA-N 1 3 350.459 2.115 20 0 FEADHO C[C@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000544386395 673709699 /nfs/dbraw/zinc/70/96/99/673709699.db2.gz VCATYZCVVCYWTI-YJBOKZPZSA-N 1 3 354.516 2.245 20 0 FEADHO CC(C)(C)OC(=O)C1CCC(O)(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000600715506 673794098 /nfs/dbraw/zinc/79/40/98/673794098.db2.gz GQEHZYWRXANDPA-ZEVUXNIQSA-N 1 3 352.519 2.466 20 0 FEADHO CC(C)(C)OC(=O)C1CCC(O)(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000600715506 673794102 /nfs/dbraw/zinc/79/41/02/673794102.db2.gz GQEHZYWRXANDPA-ZEVUXNIQSA-N 1 3 352.519 2.466 20 0 FEADHO COc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc(OC)c1C ZINC000617503370 676288370 /nfs/dbraw/zinc/28/83/70/676288370.db2.gz GOTBSJDJNBWESA-AWEZNQCLSA-N 1 3 351.491 2.014 20 0 FEADHO COc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc(OC)c1C ZINC000617503370 676288372 /nfs/dbraw/zinc/28/83/72/676288372.db2.gz GOTBSJDJNBWESA-AWEZNQCLSA-N 1 3 351.491 2.014 20 0 FEADHO C[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000623399135 676533033 /nfs/dbraw/zinc/53/30/33/676533033.db2.gz ZGIZKKCVHBOEOO-ZBFHGGJFSA-N 1 3 353.532 2.460 20 0 FEADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CCCCN2C2CC2)CC[C@H]1C(F)(F)F ZINC000627020211 676735082 /nfs/dbraw/zinc/73/50/82/676735082.db2.gz CKXBRBWPKDZOPN-BPLDGKMQSA-N 1 3 362.440 2.172 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)[C@@H]3CCCCO3)CC2)CC1 ZINC000630863388 676924467 /nfs/dbraw/zinc/92/44/67/676924467.db2.gz UXKJTCIDHYFBHN-SFHVURJKSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@H]1C[C@H](CCNS(=O)(=O)CCCN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000632137244 676977784 /nfs/dbraw/zinc/97/77/84/676977784.db2.gz IXLLZTWXGFPMJJ-HKUYNNGSSA-N 1 3 367.559 2.158 20 0 FEADHO C[C@H]1C[C@H](CCNS(=O)(=O)CCCN(C)C)C[N@H+]1Cc1ccccc1 ZINC000632137244 676977785 /nfs/dbraw/zinc/97/77/85/676977785.db2.gz IXLLZTWXGFPMJJ-HKUYNNGSSA-N 1 3 367.559 2.158 20 0 FEADHO [NH3+]CCCCCC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000830085920 677024462 /nfs/dbraw/zinc/02/44/62/677024462.db2.gz RISSWYQKKFQPMT-UHFFFAOYSA-N 1 3 351.466 2.304 20 0 FEADHO FC(F)[C@H]1CCN(CCCC[N@@H+]2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634757174 677081453 /nfs/dbraw/zinc/08/14/53/677081453.db2.gz MQHLAUZDNWPMNW-OKILXGFUSA-N 1 3 356.404 2.479 20 0 FEADHO FC(F)[C@H]1CCN(CCCC[N@H+]2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634757174 677081454 /nfs/dbraw/zinc/08/14/54/677081454.db2.gz MQHLAUZDNWPMNW-OKILXGFUSA-N 1 3 356.404 2.479 20 0 FEADHO FC(F)[C@H]1CC[N@H+](CCCCN2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634757174 677081455 /nfs/dbraw/zinc/08/14/55/677081455.db2.gz MQHLAUZDNWPMNW-OKILXGFUSA-N 1 3 356.404 2.479 20 0 FEADHO FC(F)[C@H]1CC[N@@H+](CCCCN2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634757174 677081456 /nfs/dbraw/zinc/08/14/56/677081456.db2.gz MQHLAUZDNWPMNW-OKILXGFUSA-N 1 3 356.404 2.479 20 0 FEADHO CC1CCN([C@@H](CNC(=O)[C@@]2(C[NH3+])CCCOC2)c2cccs2)CC1 ZINC000638051006 677138800 /nfs/dbraw/zinc/13/88/00/677138800.db2.gz WZPVDKMWPFXDNI-QFBILLFUSA-N 1 3 365.543 2.393 20 0 FEADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@@H](C)C1 ZINC000638114206 677140365 /nfs/dbraw/zinc/14/03/65/677140365.db2.gz SUFYEKASUIFZIY-SWLSCSKDSA-N 1 3 359.923 2.150 20 0 FEADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@@H](C)C1 ZINC000638114206 677140366 /nfs/dbraw/zinc/14/03/66/677140366.db2.gz SUFYEKASUIFZIY-SWLSCSKDSA-N 1 3 359.923 2.150 20 0 FEADHO CN(C)C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000638664013 677148645 /nfs/dbraw/zinc/14/86/45/677148645.db2.gz KYMIGUOKSKSFSV-IUODEOHRSA-N 1 3 360.285 2.091 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC(CC)([NH+]3CCCC3)CC2)C1(C)C ZINC000638862011 677151329 /nfs/dbraw/zinc/15/13/29/677151329.db2.gz JMQMVEPRBIUCFY-UZLBHIALSA-N 1 3 351.535 2.386 20 0 FEADHO C[NH+]1CCC(CNC(=S)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000760473782 680689001 /nfs/dbraw/zinc/68/90/01/680689001.db2.gz IAAKFOLJIZLZMN-UHFFFAOYSA-N 1 3 370.632 2.154 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647308672 677300163 /nfs/dbraw/zinc/30/01/63/677300163.db2.gz SPZRLOAWXQNHIJ-ZWKOTPCHSA-N 1 3 365.543 2.149 20 0 FEADHO CCN1CCN(CCC(=O)NCCC[N@H+](CC)C2CCCCC2)CC1 ZINC000652756395 677498826 /nfs/dbraw/zinc/49/88/26/677498826.db2.gz DKKLSHCUYHBQRO-UHFFFAOYSA-N 1 3 352.567 2.175 20 0 FEADHO CCN1CCN(CCC(=O)NCCC[N@@H+](CC)C2CCCCC2)CC1 ZINC000652756395 677498828 /nfs/dbraw/zinc/49/88/28/677498828.db2.gz DKKLSHCUYHBQRO-UHFFFAOYSA-N 1 3 352.567 2.175 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)[C@@H]3CCCCO3)CC2)CC1 ZINC000654985593 677616427 /nfs/dbraw/zinc/61/64/27/677616427.db2.gz AVHCCAQZOQTGSG-APWZRJJASA-N 1 3 351.535 2.257 20 0 FEADHO CC(C)(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)N1CCc2ccccc2C1 ZINC000655915376 677672557 /nfs/dbraw/zinc/67/25/57/677672557.db2.gz URBFLVMYVJAZJH-AWEZNQCLSA-N 1 3 358.408 2.012 20 0 FEADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655920753 677692628 /nfs/dbraw/zinc/69/26/28/677692628.db2.gz NQGXDGHENMUXDK-OAHLLOKOSA-N 1 3 358.408 2.182 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000658385531 678081094 /nfs/dbraw/zinc/08/10/94/678081094.db2.gz KDGJFLFYXJDTKT-SFHVURJKSA-N 1 3 365.543 2.149 20 0 FEADHO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662248394 678596432 /nfs/dbraw/zinc/59/64/32/678596432.db2.gz ANEKXNRXAGSGNT-AWEZNQCLSA-N 1 3 359.495 2.173 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1ccsc1 ZINC000662384529 678614844 /nfs/dbraw/zinc/61/48/44/678614844.db2.gz QEFQQWICFDDWLX-BBRMVZONSA-N 1 3 361.515 2.361 20 0 FEADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc2c(s1)CCNC2 ZINC000662509858 678631414 /nfs/dbraw/zinc/63/14/14/678631414.db2.gz JKODPXAHDFGAMA-UHFFFAOYSA-N 1 3 356.495 2.435 20 0 FEADHO CSc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000663799373 678791564 /nfs/dbraw/zinc/79/15/64/678791564.db2.gz FSLQPBCCWDQKQN-HNNXBMFYSA-N 1 3 352.548 2.480 20 0 FEADHO CSc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000663799373 678791568 /nfs/dbraw/zinc/79/15/68/678791568.db2.gz FSLQPBCCWDQKQN-HNNXBMFYSA-N 1 3 352.548 2.480 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000664473562 678883994 /nfs/dbraw/zinc/88/39/94/678883994.db2.gz AZEJFDNVNZNRHA-DLBZAZTESA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000664473562 678883995 /nfs/dbraw/zinc/88/39/95/678883995.db2.gz AZEJFDNVNZNRHA-DLBZAZTESA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCC1C[C@@H](C)O[C@H](C)C1 ZINC000664847066 678927152 /nfs/dbraw/zinc/92/71/52/678927152.db2.gz VCUUSFZYWCDVSJ-GVDBMIGSSA-N 1 3 356.555 2.151 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCC1C[C@@H](C)O[C@H](C)C1 ZINC000664847066 678927154 /nfs/dbraw/zinc/92/71/54/678927154.db2.gz VCUUSFZYWCDVSJ-GVDBMIGSSA-N 1 3 356.555 2.151 20 0 FEADHO COCC[C@H]1CCCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665760909 678982277 /nfs/dbraw/zinc/98/22/77/678982277.db2.gz RPRUGZDJJWXBTR-ZWKOTPCHSA-N 1 3 356.555 2.107 20 0 FEADHO COCC[C@H]1CCCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665760909 678982279 /nfs/dbraw/zinc/98/22/79/678982279.db2.gz RPRUGZDJJWXBTR-ZWKOTPCHSA-N 1 3 356.555 2.107 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000665763833 678982599 /nfs/dbraw/zinc/98/25/99/678982599.db2.gz NADWDHUBIYYEFN-IEZWGBDMSA-N 1 3 350.482 2.195 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000665763833 678982600 /nfs/dbraw/zinc/98/26/00/678982600.db2.gz NADWDHUBIYYEFN-IEZWGBDMSA-N 1 3 350.482 2.195 20 0 FEADHO [NH3+][C@H]1CCC[C@@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000669573943 679243478 /nfs/dbraw/zinc/24/34/78/679243478.db2.gz POHYHBYKPLVSHJ-ZUJMUWTESA-N 1 3 362.440 2.361 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000669592738 679244415 /nfs/dbraw/zinc/24/44/15/679244415.db2.gz PUFZYJPJOWZYOZ-DOTOQJQBSA-N 1 3 350.532 2.453 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC(C)(C)COC)CC2)CC1 ZINC000832747020 680172243 /nfs/dbraw/zinc/17/22/43/680172243.db2.gz GDFGTRHPYJSODC-UHFFFAOYSA-N 1 3 353.551 2.362 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CC(C)(C)CO3)CC2)CC1 ZINC000832798163 680177355 /nfs/dbraw/zinc/17/73/55/680177355.db2.gz OOSREVCMYUSFKA-GOSISDBHSA-N 1 3 351.535 2.114 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cc(F)ccc3F)C2)CC[N@@H+]1C ZINC001022105821 680196634 /nfs/dbraw/zinc/19/66/34/680196634.db2.gz APEODUZGVQIMPV-UIBIWLFHSA-N 1 3 351.441 2.432 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cc(F)ccc3F)C2)CC[N@H+]1C ZINC001022105821 680196635 /nfs/dbraw/zinc/19/66/35/680196635.db2.gz APEODUZGVQIMPV-UIBIWLFHSA-N 1 3 351.441 2.432 20 0 FEADHO Cc1nsc(C)c1CN1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023378689 680257847 /nfs/dbraw/zinc/25/78/47/680257847.db2.gz DFBAMHGWAFDRTM-DJIMGWMZSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1nsc(C)c1CN1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023378689 680257852 /nfs/dbraw/zinc/25/78/52/680257852.db2.gz DFBAMHGWAFDRTM-DJIMGWMZSA-N 1 3 364.559 2.428 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2scnc2C)CC[N@@H+]1C ZINC001034940918 680441346 /nfs/dbraw/zinc/44/13/46/680441346.db2.gz HFUQSTQGVMSRGS-OWCLPIDISA-N 1 3 350.532 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2scnc2C)CC[N@H+]1C ZINC001034940918 680441349 /nfs/dbraw/zinc/44/13/49/680441349.db2.gz HFUQSTQGVMSRGS-OWCLPIDISA-N 1 3 350.532 2.262 20 0 FEADHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc(Cl)n1 ZINC000841851352 680914715 /nfs/dbraw/zinc/91/47/15/680914715.db2.gz OWEWVDXZPKPRSM-SJORKVTESA-N 1 3 358.873 2.437 20 0 FEADHO CC(C)[N@@H+]1CCC[C@H](COC(=O)C2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000842836205 680970482 /nfs/dbraw/zinc/97/04/82/680970482.db2.gz NOCFGMQEOFRLGU-RWMBFGLXSA-N 1 3 350.381 2.107 20 0 FEADHO CC(C)[N@H+]1CCC[C@H](COC(=O)C2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000842836205 680970485 /nfs/dbraw/zinc/97/04/85/680970485.db2.gz NOCFGMQEOFRLGU-RWMBFGLXSA-N 1 3 350.381 2.107 20 0 FEADHO CC(C)(C)OC(=O)N1CC[C@@H](NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000769387331 680980307 /nfs/dbraw/zinc/98/03/07/680980307.db2.gz BVDAXZXIMVAFKO-MRXNPFEDSA-N 1 3 353.507 2.230 20 0 FEADHO C[C@@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1CS(N)(=O)=O ZINC000933695970 681453314 /nfs/dbraw/zinc/45/33/14/681453314.db2.gz GWMADXMJNWEVMR-APWZRJJASA-N 1 3 365.543 2.029 20 0 FEADHO CN1C[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3C(F)(F)F)C[C@]2(C)C1 ZINC000933737935 681460080 /nfs/dbraw/zinc/46/00/80/681460080.db2.gz VXJNVOXSKRIZJR-CPUCHLNUSA-N 1 3 358.404 2.329 20 0 FEADHO CN1C[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3C(F)(F)F)C[C@]2(C)C1 ZINC000933737935 681460082 /nfs/dbraw/zinc/46/00/82/681460082.db2.gz VXJNVOXSKRIZJR-CPUCHLNUSA-N 1 3 358.404 2.329 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3cccc(F)c3F)C2)CC[N@@H+]1C ZINC000961850124 682102405 /nfs/dbraw/zinc/10/24/05/682102405.db2.gz UEMZQLWFLUJDQT-FKFRUQKQSA-N 1 3 351.441 2.289 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3cccc(F)c3F)C2)CC[N@H+]1C ZINC000961850124 682102406 /nfs/dbraw/zinc/10/24/06/682102406.db2.gz UEMZQLWFLUJDQT-FKFRUQKQSA-N 1 3 351.441 2.289 20 0 FEADHO CCCN1CCC([N@H+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000851797598 682138578 /nfs/dbraw/zinc/13/85/78/682138578.db2.gz SDGQAJFNYSTHPG-KRWDZBQOSA-N 1 3 355.523 2.429 20 0 FEADHO CCCN1CCC([N@@H+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000851797598 682138581 /nfs/dbraw/zinc/13/85/81/682138581.db2.gz SDGQAJFNYSTHPG-KRWDZBQOSA-N 1 3 355.523 2.429 20 0 FEADHO COc1cc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc1Cl ZINC000968728429 682243319 /nfs/dbraw/zinc/24/33/19/682243319.db2.gz OIIJNQLEMNRKSJ-FVQBIDKESA-N 1 3 365.905 2.379 20 0 FEADHO COc1cc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccc1Cl ZINC000968728429 682243321 /nfs/dbraw/zinc/24/33/21/682243321.db2.gz OIIJNQLEMNRKSJ-FVQBIDKESA-N 1 3 365.905 2.379 20 0 FEADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccns1 ZINC000858188731 682942370 /nfs/dbraw/zinc/94/23/70/682942370.db2.gz AZLIYFZEFZYFMB-CYBMUJFWSA-N 1 3 351.520 2.062 20 0 FEADHO C[C@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1cccc(C[NH+](C)C)c1 ZINC000926414663 683122256 /nfs/dbraw/zinc/12/22/56/683122256.db2.gz JFMFDFYTXZSWCI-MAUKXSAKSA-N 1 3 353.532 2.213 20 0 FEADHO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000796674198 683184075 /nfs/dbraw/zinc/18/40/75/683184075.db2.gz GZLSUVYPQYKPGP-GVDBMIGSSA-N 1 3 355.523 2.380 20 0 FEADHO CN(CCCN(C)C(=O)OC(C)(C)C)CC[N@H+](C)C1CCN(C)CC1 ZINC000797976557 683298263 /nfs/dbraw/zinc/29/82/63/683298263.db2.gz LVKUJGJHNDHLSX-UHFFFAOYSA-N 1 3 356.555 2.201 20 0 FEADHO CN(CCCN(C)C(=O)OC(C)(C)C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000797976557 683298268 /nfs/dbraw/zinc/29/82/68/683298268.db2.gz LVKUJGJHNDHLSX-UHFFFAOYSA-N 1 3 356.555 2.201 20 0 FEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000930113359 683680971 /nfs/dbraw/zinc/68/09/71/683680971.db2.gz KNTKLFXAMVQIIW-JKSUJKDBSA-N 1 3 351.457 2.444 20 0 FEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000930113359 683680974 /nfs/dbraw/zinc/68/09/74/683680974.db2.gz KNTKLFXAMVQIIW-JKSUJKDBSA-N 1 3 351.457 2.444 20 0 FEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cn(C)nc3C(F)F)C2)[C@@H]1C(C)C ZINC000922392126 683713146 /nfs/dbraw/zinc/71/31/46/683713146.db2.gz BNGMOGAAKGCPJR-DEICHXMPSA-N 1 3 356.461 2.317 20 0 FEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cn(C)nc3C(F)F)C2)[C@@H]1C(C)C ZINC000922392126 683713150 /nfs/dbraw/zinc/71/31/50/683713150.db2.gz BNGMOGAAKGCPJR-DEICHXMPSA-N 1 3 356.461 2.317 20 0 FEADHO C[C@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000923492475 684291324 /nfs/dbraw/zinc/29/13/24/684291324.db2.gz PEOYTPQMYFCKSP-STQMWFEESA-N 1 3 359.392 2.433 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NC2CCC(C)([NH+](C)C)CC2)cc1 ZINC000867743846 684370160 /nfs/dbraw/zinc/37/01/60/684370160.db2.gz ZRBRHMQVNPMCJV-UHFFFAOYSA-N 1 3 353.532 2.289 20 0 FEADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000925332792 684550482 /nfs/dbraw/zinc/55/04/82/684550482.db2.gz XMNSZMRSHOGVRW-KBPBESRZSA-N 1 3 352.445 2.385 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870908804 684769160 /nfs/dbraw/zinc/76/91/60/684769160.db2.gz YZWJFUXZFXMYSN-UHFFFAOYSA-N 1 3 351.441 2.387 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)cc(Cl)n1 ZINC000877344146 686358443 /nfs/dbraw/zinc/35/84/43/686358443.db2.gz VATONPGOXVCKBE-SJORKVTESA-N 1 3 358.873 2.264 20 0 FEADHO Cc1ncc(CNC(=O)CCN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)s1 ZINC000880259517 687023857 /nfs/dbraw/zinc/02/38/57/687023857.db2.gz VHEZQCFYERGELT-AWEZNQCLSA-N 1 3 359.499 2.064 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000892598418 689216955 /nfs/dbraw/zinc/21/69/55/689216955.db2.gz ZYFFFIKUIWUIPH-WMZOPIPTSA-N 1 3 368.543 2.320 20 0 FEADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000892609838 689217930 /nfs/dbraw/zinc/21/79/30/689217930.db2.gz BJEJCZZTWVTWRT-ROUUACIJSA-N 1 3 352.450 2.350 20 0 FEADHO CN(C)[C@@H](CNC(=O)C1CCC(N2CCOCC2)CC1)c1ccsc1 ZINC000900136437 690474691 /nfs/dbraw/zinc/47/46/91/690474691.db2.gz KRUBJIKRYOZCGC-VJFUWPCTSA-N 1 3 365.543 2.358 20 0 FEADHO CN(C)[C@@H](CNC(=O)C1CCC([NH+]2CCOCC2)CC1)c1ccsc1 ZINC000900136437 690474693 /nfs/dbraw/zinc/47/46/93/690474693.db2.gz KRUBJIKRYOZCGC-VJFUWPCTSA-N 1 3 365.543 2.358 20 0 FEADHO COc1ccc(C[C@@](C)(O)CN[C@@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000902389181 690762205 /nfs/dbraw/zinc/76/22/05/690762205.db2.gz SLXOGDRGVDGPAW-OXQOHEQNSA-N 1 3 350.503 2.365 20 0 FEADHO c1csc(CN2CCOC3(CCN(c4ncc5c(n4)C[NH2+]C5)CC3)C2)c1 ZINC001164695666 719891841 /nfs/dbraw/zinc/89/18/41/719891841.db2.gz PTNIPFNKQOSGTG-UHFFFAOYSA-N 1 3 371.510 2.013 20 0 FEADHO CN(Cc1ccc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)nc1)C1CC1 ZINC001164733446 720527554 /nfs/dbraw/zinc/52/75/54/720527554.db2.gz JWJSWTBZXKNTFO-QGZVFWFLSA-N 1 3 354.502 2.070 20 0 FEADHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(CN)ncn1)CC2 ZINC001164843784 720678118 /nfs/dbraw/zinc/67/81/18/720678118.db2.gz QXLHROFRLWQCBT-IBGZPJMESA-N 1 3 367.497 2.195 20 0 FEADHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(CN)ncn1)CC2 ZINC001164843784 720678124 /nfs/dbraw/zinc/67/81/24/720678124.db2.gz QXLHROFRLWQCBT-IBGZPJMESA-N 1 3 367.497 2.195 20 0 FEADHO C[C@@H](OCc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797549 540414423 /nfs/dbraw/zinc/41/44/23/540414423.db2.gz ZTAWDRJTHSYOAZ-QGZVFWFLSA-N 1 3 359.514 2.267 20 0 FEADHO Cc1ccc(O[C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050802804 540415469 /nfs/dbraw/zinc/41/54/69/540415469.db2.gz AXCYFYCFWNXKFG-KRWDZBQOSA-N 1 3 359.514 2.437 20 0 FEADHO CC1CCN(CC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000051209836 540426837 /nfs/dbraw/zinc/42/68/37/540426837.db2.gz WDECDAPTBMWACR-UHFFFAOYSA-N 1 3 372.557 2.437 20 0 FEADHO CCN(Cc1ccncc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758504 540442808 /nfs/dbraw/zinc/44/28/08/540442808.db2.gz WGOVIBYCCFUJGA-UHFFFAOYSA-N 1 3 359.518 2.172 20 0 FEADHO c1cc(N2CCN(CCCNc3cc(NCC4CC4)ncn3)CC2)cc[nH+]1 ZINC000535335334 540466375 /nfs/dbraw/zinc/46/63/75/540466375.db2.gz RXOBKQIFUJFCGA-UHFFFAOYSA-N 1 3 367.501 2.318 20 0 FEADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000067452518 541466351 /nfs/dbraw/zinc/46/63/51/541466351.db2.gz RWGAWLKSOXEXNG-HOTGVXAUSA-N 1 3 354.516 2.069 20 0 FEADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000072528370 541826980 /nfs/dbraw/zinc/82/69/80/541826980.db2.gz AVCWGIZRLHJNOY-IBGZPJMESA-N 1 3 363.546 2.402 20 0 FEADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000072528370 541826984 /nfs/dbraw/zinc/82/69/84/541826984.db2.gz AVCWGIZRLHJNOY-IBGZPJMESA-N 1 3 363.546 2.402 20 0 FEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073104090 541918903 /nfs/dbraw/zinc/91/89/03/541918903.db2.gz MDADBTOAGCELEI-IBGZPJMESA-N 1 3 358.530 2.045 20 0 FEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073104090 541918906 /nfs/dbraw/zinc/91/89/06/541918906.db2.gz MDADBTOAGCELEI-IBGZPJMESA-N 1 3 358.530 2.045 20 0 FEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2ccccn2)no1 ZINC000073243159 541933367 /nfs/dbraw/zinc/93/33/67/541933367.db2.gz DMEZPSXKGDGQEW-MRXNPFEDSA-N 1 3 371.485 2.225 20 0 FEADHO Cc1c[nH+]ccc1N1CCC(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000073427302 541952509 /nfs/dbraw/zinc/95/25/09/541952509.db2.gz KNFZOJNHLAGDCF-IBGZPJMESA-N 1 3 374.529 2.176 20 0 FEADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000073496407 541959068 /nfs/dbraw/zinc/95/90/68/541959068.db2.gz RAAHJYQZURSWPX-UXHICEINSA-N 1 3 374.529 2.013 20 0 FEADHO C[NH+](C)CCC1CCN(C(=O)c2cnn(CCN3CCCCC3)c2)CC1 ZINC000073643295 541980188 /nfs/dbraw/zinc/98/01/88/541980188.db2.gz ZBJDJCSYCAVXIX-UHFFFAOYSA-N 1 3 361.534 2.173 20 0 FEADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074858285 542130218 /nfs/dbraw/zinc/13/02/18/542130218.db2.gz MIQWEEQZBFMSNK-ZHALLVOQSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074858285 542130220 /nfs/dbraw/zinc/13/02/20/542130220.db2.gz MIQWEEQZBFMSNK-ZHALLVOQSA-N 1 3 350.551 2.480 20 0 FEADHO CN(CCCN1C(=O)NC(C)(C)C1=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109651 542234359 /nfs/dbraw/zinc/23/43/59/542234359.db2.gz CFNPXPTXLJRYOK-GOSISDBHSA-N 1 3 372.513 2.161 20 0 FEADHO CN(CCCN1C(=O)NC(C)(C)C1=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109651 542234363 /nfs/dbraw/zinc/23/43/63/542234363.db2.gz CFNPXPTXLJRYOK-GOSISDBHSA-N 1 3 372.513 2.161 20 0 FEADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)cc1 ZINC000076586692 542296861 /nfs/dbraw/zinc/29/68/61/542296861.db2.gz KNNKWOPGJNPPBU-UHFFFAOYSA-N 1 3 374.529 2.110 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)COc3ccsc3Cl)CC2)CC1 ZINC000551511255 674148144 /nfs/dbraw/zinc/14/81/44/674148144.db2.gz AJEGNZCIQZMSNF-UHFFFAOYSA-N 1 3 371.934 2.455 20 0 FEADHO Cc1ccc2c(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)c[nH]c2c1 ZINC000077804499 542422312 /nfs/dbraw/zinc/42/23/12/542422312.db2.gz HSAVFYRULFRPAB-UHFFFAOYSA-N 1 3 359.518 2.154 20 0 FEADHO COCCc1nc(C)c([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)s1 ZINC000092738999 542884928 /nfs/dbraw/zinc/88/49/28/542884928.db2.gz SBFRNSPMJOLACX-OAHLLOKOSA-N 1 3 354.564 2.319 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NCC1CCN(c2ccncc2)CC1 ZINC000093134963 542911426 /nfs/dbraw/zinc/91/14/26/542911426.db2.gz FPDATLAQJPGOPK-KRWDZBQOSA-N 1 3 357.502 2.082 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NCC1CCN(c2ccncc2)CC1 ZINC000093134963 542911427 /nfs/dbraw/zinc/91/14/27/542911427.db2.gz FPDATLAQJPGOPK-KRWDZBQOSA-N 1 3 357.502 2.082 20 0 FEADHO CC(C)c1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)nn1C(C)(C)C ZINC000103212798 543097183 /nfs/dbraw/zinc/09/71/83/543097183.db2.gz ISAKNLGKXFCYGN-UHFFFAOYSA-N 1 3 351.539 2.327 20 0 FEADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000105150063 543162240 /nfs/dbraw/zinc/16/22/40/543162240.db2.gz VQHYZNMPUPXULR-QGZVFWFLSA-N 1 3 368.591 2.379 20 0 FEADHO CC[N@H+]1CCC[C@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000105150063 543162243 /nfs/dbraw/zinc/16/22/43/543162243.db2.gz VQHYZNMPUPXULR-QGZVFWFLSA-N 1 3 368.591 2.379 20 0 FEADHO CCN(CC)[C@@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000109151401 543316446 /nfs/dbraw/zinc/31/64/46/543316446.db2.gz UQOBQKMGVMLTQJ-AZUAARDMSA-N 1 3 360.546 2.069 20 0 FEADHO COCCN1CCC(NC(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000109396552 543323987 /nfs/dbraw/zinc/32/39/87/543323987.db2.gz JDGOASNEBYSPST-GOSISDBHSA-N 1 3 366.550 2.194 20 0 FEADHO COCCN1CCC(NC(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)CC1 ZINC000109396552 543323990 /nfs/dbraw/zinc/32/39/90/543323990.db2.gz JDGOASNEBYSPST-GOSISDBHSA-N 1 3 366.550 2.194 20 0 FEADHO C[C@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)N(C)Cc1ccccc1 ZINC000111504313 543404513 /nfs/dbraw/zinc/40/45/13/543404513.db2.gz HFDBDIPYRNFNNV-GOSISDBHSA-N 1 3 367.497 2.434 20 0 FEADHO C[N@@H+]1CCC[C@@H](CNC(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000112216142 543434590 /nfs/dbraw/zinc/43/45/90/543434590.db2.gz QFKUTOJWEOYFGX-KRWDZBQOSA-N 1 3 368.591 2.379 20 0 FEADHO C[N@H+]1CCC[C@@H](CNC(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000112216142 543434592 /nfs/dbraw/zinc/43/45/92/543434592.db2.gz QFKUTOJWEOYFGX-KRWDZBQOSA-N 1 3 368.591 2.379 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3c3ccc[nH]3)CC2)CC1 ZINC000114949609 543547307 /nfs/dbraw/zinc/54/73/07/543547307.db2.gz KYDMLTWSHLDOQN-LJQANCHMSA-N 1 3 359.518 2.420 20 0 FEADHO CC1CCN(CCNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000124134173 543802626 /nfs/dbraw/zinc/80/26/26/543802626.db2.gz LXYDFPLAVRKHSV-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO CC(C)N(C)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124771871 543841625 /nfs/dbraw/zinc/84/16/25/543841625.db2.gz CAUMCSMPEKWURS-OALUTQOASA-N 1 3 352.567 2.122 20 0 FEADHO CC(C)N(C)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124771871 543841627 /nfs/dbraw/zinc/84/16/27/543841627.db2.gz CAUMCSMPEKWURS-OALUTQOASA-N 1 3 352.567 2.122 20 0 FEADHO C[C@H](CNc1ccccc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000128094030 544032246 /nfs/dbraw/zinc/03/22/46/544032246.db2.gz IHLQCYUZORUKMV-QGZVFWFLSA-N 1 3 373.545 2.345 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000128554942 544059178 /nfs/dbraw/zinc/05/91/78/544059178.db2.gz OHGIMIGQPVIKCE-QWFCFKBJSA-N 1 3 358.530 2.044 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000128554942 544059180 /nfs/dbraw/zinc/05/91/80/544059180.db2.gz OHGIMIGQPVIKCE-QWFCFKBJSA-N 1 3 358.530 2.044 20 0 FEADHO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cccc(CN2CCCC2)c1 ZINC000131702765 544202917 /nfs/dbraw/zinc/20/29/17/544202917.db2.gz NDDASDNRWSCJEQ-HXUWFJFHSA-N 1 3 359.514 2.249 20 0 FEADHO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(CN2CCCC2)c1 ZINC000131702765 544202919 /nfs/dbraw/zinc/20/29/19/544202919.db2.gz NDDASDNRWSCJEQ-HXUWFJFHSA-N 1 3 359.514 2.249 20 0 FEADHO CCS(=O)(=O)NCCCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000132302735 544226506 /nfs/dbraw/zinc/22/65/06/544226506.db2.gz BKZCLGCUJSSZSW-UHFFFAOYSA-N 1 3 367.559 2.160 20 0 FEADHO CCS(=O)(=O)NCCCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000132302735 544226508 /nfs/dbraw/zinc/22/65/08/544226508.db2.gz BKZCLGCUJSSZSW-UHFFFAOYSA-N 1 3 367.559 2.160 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@@H](C)[S@](C)=O)CC1 ZINC000133360106 544266412 /nfs/dbraw/zinc/26/64/12/544266412.db2.gz RWRUNBYVAPUULM-MZNJEOGPSA-N 1 3 351.560 2.465 20 0 FEADHO O=C(C[C@H]1CSCC[NH2+]1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000133633795 544277563 /nfs/dbraw/zinc/27/75/63/544277563.db2.gz IYISINXQVQCQHJ-KRWDZBQOSA-N 1 3 365.568 2.312 20 0 FEADHO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccnc(OCCN(C)C)c2)c1 ZINC000136596652 544375091 /nfs/dbraw/zinc/37/50/91/544375091.db2.gz ARBXEDUMERCRLK-UHFFFAOYSA-N 1 3 370.497 2.404 20 0 FEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccnc(OCCN(C)C)c2)c1 ZINC000136596652 544375094 /nfs/dbraw/zinc/37/50/94/544375094.db2.gz ARBXEDUMERCRLK-UHFFFAOYSA-N 1 3 370.497 2.404 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000154237144 544879595 /nfs/dbraw/zinc/87/95/95/544879595.db2.gz HMDDONBPMFGMHK-KRWDZBQOSA-N 1 3 360.502 2.321 20 0 FEADHO C[NH+](C)CCC1CCN(CCN(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000191957876 328290361 /nfs/dbraw/zinc/29/03/61/328290361.db2.gz JZWSNWQBMMTLAX-UHFFFAOYSA-N 1 3 367.559 2.112 20 0 FEADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)ccc2oc1=O ZINC000237001976 328501222 /nfs/dbraw/zinc/50/12/22/328501222.db2.gz UEMSBCLCSCAROG-KBMXLJTQSA-N 1 3 372.469 2.015 20 0 FEADHO C[C@H](CC(=O)NCC1(N2CCSCC2)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000237609944 328522142 /nfs/dbraw/zinc/52/21/42/328522142.db2.gz MRIFNTIGNUJSPN-IAGOWNOFSA-N 1 3 353.576 2.490 20 0 FEADHO COCCN(C)CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000119440074 326162826 /nfs/dbraw/zinc/16/28/26/326162826.db2.gz KAUSGBRMHZHUOU-GOSISDBHSA-N 1 3 368.566 2.251 20 0 FEADHO COCCN(C)CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000119440074 326162828 /nfs/dbraw/zinc/16/28/28/326162828.db2.gz KAUSGBRMHZHUOU-GOSISDBHSA-N 1 3 368.566 2.251 20 0 FEADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CN1C1CC1 ZINC000119885539 326208826 /nfs/dbraw/zinc/20/88/26/326208826.db2.gz LBUSSTKBXWTHIO-FXAWDEMLSA-N 1 3 370.541 2.227 20 0 FEADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CN1C1CC1 ZINC000119885403 326208942 /nfs/dbraw/zinc/20/89/42/326208942.db2.gz LBUSSTKBXWTHIO-YLJYHZDGSA-N 1 3 370.541 2.227 20 0 FEADHO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000121727194 326361784 /nfs/dbraw/zinc/36/17/84/326361784.db2.gz DKFZQXXXYLOGHL-MRXNPFEDSA-N 1 3 372.513 2.162 20 0 FEADHO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000121727194 326361787 /nfs/dbraw/zinc/36/17/87/326361787.db2.gz DKFZQXXXYLOGHL-MRXNPFEDSA-N 1 3 372.513 2.162 20 0 FEADHO CN(C)Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000121971192 326378853 /nfs/dbraw/zinc/37/88/53/326378853.db2.gz ZWPCWGIJICANPH-UXHICEINSA-N 1 3 359.514 2.246 20 0 FEADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000150993519 326672678 /nfs/dbraw/zinc/67/26/78/326672678.db2.gz GNFOJIKDACHACR-QGZVFWFLSA-N 1 3 358.530 2.490 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000154303656 326756440 /nfs/dbraw/zinc/75/64/40/326756440.db2.gz XXRSSEVLNUUTIC-INIZCTEOSA-N 1 3 362.518 2.332 20 0 FEADHO CN1CCC(C[NH2+]C2CCC3(CC2)OCCO3)(N2CCCCC2)CC1 ZINC000161565140 327002920 /nfs/dbraw/zinc/00/29/20/327002920.db2.gz WSIQWKAPOFBZRV-UHFFFAOYSA-N 1 3 351.535 2.212 20 0 FEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000162025599 327014885 /nfs/dbraw/zinc/01/48/85/327014885.db2.gz NNZZSEWWASOLLM-GGPKGHCWSA-N 1 3 361.530 2.216 20 0 FEADHO CCN1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000163511299 327053271 /nfs/dbraw/zinc/05/32/71/327053271.db2.gz HSOMWJDYGJKZDM-FQEVSTJZSA-N 1 3 359.514 2.105 20 0 FEADHO Cc1csc([C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000170805018 327099889 /nfs/dbraw/zinc/09/98/89/327099889.db2.gz YUXVTSLWHWILDY-CQSZACIVSA-N 1 3 365.547 2.370 20 0 FEADHO CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000172307364 327194570 /nfs/dbraw/zinc/19/45/70/327194570.db2.gz VHRCMSNAVAEHBH-HNNXBMFYSA-N 1 3 360.502 2.053 20 0 FEADHO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000172307364 327194572 /nfs/dbraw/zinc/19/45/72/327194572.db2.gz VHRCMSNAVAEHBH-HNNXBMFYSA-N 1 3 360.502 2.053 20 0 FEADHO CC(C)C[NH+]1CCC(NC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000172770270 327218141 /nfs/dbraw/zinc/21/81/41/327218141.db2.gz VPCAYUSRPDXNPK-UHFFFAOYSA-N 1 3 372.557 2.435 20 0 FEADHO CN(C)[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccccc1 ZINC000173325981 327249881 /nfs/dbraw/zinc/24/98/81/327249881.db2.gz WSPRDXANFPTTMT-OALUTQOASA-N 1 3 362.518 2.042 20 0 FEADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173859143 327289416 /nfs/dbraw/zinc/28/94/16/327289416.db2.gz CKUOYEONKHKXNO-SFHVURJKSA-N 1 3 366.550 2.147 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000174149186 327308947 /nfs/dbraw/zinc/30/89/47/327308947.db2.gz FIAJILGFBQSLBO-LJQANCHMSA-N 1 3 374.529 2.254 20 0 FEADHO CO[C@@]1(C)C[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000174468808 327328731 /nfs/dbraw/zinc/32/87/31/327328731.db2.gz LVBCEEAQBLWDPJ-XLIONFOSSA-N 1 3 366.550 2.048 20 0 FEADHO C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)N1[C@H](C)CC[C@H]1C ZINC000174503910 327331279 /nfs/dbraw/zinc/33/12/79/327331279.db2.gz WARZQYDFKMYGCX-QRVBRYPASA-N 1 3 364.578 2.314 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000174708998 327344684 /nfs/dbraw/zinc/34/46/84/327344684.db2.gz ORLHUPBPXOEZHY-RTWAWAEBSA-N 1 3 368.525 2.207 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000174708998 327344685 /nfs/dbraw/zinc/34/46/85/327344685.db2.gz ORLHUPBPXOEZHY-RTWAWAEBSA-N 1 3 368.525 2.207 20 0 FEADHO CCCC[C@H](C(=O)Nc1cc(C)on1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174717081 327345398 /nfs/dbraw/zinc/34/53/98/327345398.db2.gz XMRISSVPOPIICZ-QGZVFWFLSA-N 1 3 365.522 2.050 20 0 FEADHO C[C@@H](CCNC(=O)Nc1ccn(CCN(C)C)n1)[N@H+](C)Cc1ccccc1 ZINC000174882104 327357773 /nfs/dbraw/zinc/35/77/73/327357773.db2.gz ZILMJIQSRLILIE-KRWDZBQOSA-N 1 3 372.517 2.477 20 0 FEADHO C[C@@H](CCNC(=O)Nc1ccn(CCN(C)C)n1)[N@@H+](C)Cc1ccccc1 ZINC000174882104 327357774 /nfs/dbraw/zinc/35/77/74/327357774.db2.gz ZILMJIQSRLILIE-KRWDZBQOSA-N 1 3 372.517 2.477 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)CC1 ZINC000175028454 327369102 /nfs/dbraw/zinc/36/91/02/327369102.db2.gz JSBKDXBPKHHCLM-UHFFFAOYSA-N 1 3 358.530 2.434 20 0 FEADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000175608292 327402105 /nfs/dbraw/zinc/40/21/05/327402105.db2.gz QWEHNWPTKRNWQY-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000177504822 327527090 /nfs/dbraw/zinc/52/70/90/327527090.db2.gz SPVGICAADITOLI-ICSRJNTNSA-N 1 3 358.530 2.431 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000178013230 327558793 /nfs/dbraw/zinc/55/87/93/327558793.db2.gz NFVGYIBYULOSBO-OALUTQOASA-N 1 3 374.529 2.456 20 0 FEADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000252735241 328795861 /nfs/dbraw/zinc/79/58/61/328795861.db2.gz JRRLABRVVWVZLN-ZACQAIPSSA-N 1 3 362.518 2.118 20 0 FEADHO CCN(C)[C@@H](C(=O)NCCCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000265118939 329092794 /nfs/dbraw/zinc/09/27/94/329092794.db2.gz NEFIGOHBWBBZMZ-HXUWFJFHSA-N 1 3 360.546 2.213 20 0 FEADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000265879538 329169200 /nfs/dbraw/zinc/16/92/00/329169200.db2.gz ODWBZBJKYONBKX-MJGOQNOKSA-N 1 3 368.543 2.463 20 0 FEADHO COCCCN(C)CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000266465639 329225932 /nfs/dbraw/zinc/22/59/32/329225932.db2.gz FFACXHCPJRUBPK-UHFFFAOYSA-N 1 3 362.518 2.050 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000267932100 329369542 /nfs/dbraw/zinc/36/95/42/329369542.db2.gz FVFWOMASTILGCX-FQEVSTJZSA-N 1 3 361.530 2.372 20 0 FEADHO C[C@@]1(NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO[C@H]1C1CC1 ZINC000273051561 329832981 /nfs/dbraw/zinc/83/29/81/329832981.db2.gz KLRUWDVKPHVGSH-FCHUYYIVSA-N 1 3 371.525 2.446 20 0 FEADHO CC[C@]1(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)CCC[NH2+]1 ZINC000274672439 329970079 /nfs/dbraw/zinc/97/00/79/329970079.db2.gz YJCNVKXZGRURLN-HXUWFJFHSA-N 1 3 363.477 2.317 20 0 FEADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275396140 330044090 /nfs/dbraw/zinc/04/40/90/330044090.db2.gz DFHWOKIZDOTCCK-SFHVURJKSA-N 1 3 374.529 2.110 20 0 FEADHO CC(C)[NH+]1CCC(O)(CNCc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000275595650 330068161 /nfs/dbraw/zinc/06/81/61/330068161.db2.gz PBVHXYKTQVWJHJ-UHFFFAOYSA-N 1 3 360.477 2.395 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)CC1 ZINC000275727558 330082106 /nfs/dbraw/zinc/08/21/06/330082106.db2.gz PEKQGOIXXIGXMT-NRFANRHFSA-N 1 3 370.545 2.335 20 0 FEADHO CN(C(=O)CCCN1CCC([NH3+])CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000433146392 330273359 /nfs/dbraw/zinc/27/33/59/330273359.db2.gz LGMVKUBGYFGAGS-OAQYLSRUSA-N 1 3 372.557 2.313 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000155631575 545552229 /nfs/dbraw/zinc/55/22/29/545552229.db2.gz NQOHHKJHKOGUIG-HOTGVXAUSA-N 1 3 365.518 2.389 20 0 FEADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000156069125 545596438 /nfs/dbraw/zinc/59/64/38/545596438.db2.gz DWKMCGPKGBGRFF-KDURUIRLSA-N 1 3 372.557 2.379 20 0 FEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000156069125 545596442 /nfs/dbraw/zinc/59/64/42/545596442.db2.gz DWKMCGPKGBGRFF-KDURUIRLSA-N 1 3 372.557 2.379 20 0 FEADHO C[C@H](CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)N(C)C1CC1 ZINC000477449727 561145244 /nfs/dbraw/zinc/14/52/44/561145244.db2.gz ZZQKFCHJHVUHSF-QGZVFWFLSA-N 1 3 374.529 2.443 20 0 FEADHO CC[NH+]1CCN(CCC(=O)Nc2ccc(CN(C)C)c(Cl)c2)CC1 ZINC000478051566 561159088 /nfs/dbraw/zinc/15/90/88/561159088.db2.gz BHOOMEDKSHBNTO-UHFFFAOYSA-N 1 3 352.910 2.368 20 0 FEADHO CC[NH+](CC)C[C@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000158743310 545891639 /nfs/dbraw/zinc/89/16/39/545891639.db2.gz NRJBFQXAVSLAQU-QUCCMNQESA-N 1 3 360.546 2.069 20 0 FEADHO [NH3+]C[C@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CC1 ZINC000159233614 545934363 /nfs/dbraw/zinc/93/43/63/545934363.db2.gz WLHMTMJZEZULFY-DOTOQJQBSA-N 1 3 355.404 2.295 20 0 FEADHO COCC1(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CC[NH2+]CC1 ZINC000479189864 561183940 /nfs/dbraw/zinc/18/39/40/561183940.db2.gz FSOHEVCFRLYWLP-WBVHZDCISA-N 1 3 365.543 2.263 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000479192975 561184047 /nfs/dbraw/zinc/18/40/47/561184047.db2.gz RBGWETZYXXRVFQ-LJQANCHMSA-N 1 3 365.493 2.217 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000479335068 561187478 /nfs/dbraw/zinc/18/74/78/561187478.db2.gz KJDYFCFEFYIXBX-SJLPKXTDSA-N 1 3 362.518 2.251 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000479335068 561187479 /nfs/dbraw/zinc/18/74/79/561187479.db2.gz KJDYFCFEFYIXBX-SJLPKXTDSA-N 1 3 362.518 2.251 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000176149421 546413752 /nfs/dbraw/zinc/41/37/52/546413752.db2.gz AZXRAPBHTVZKJH-UHFFFAOYSA-N 1 3 368.566 2.440 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCCC[NH2+]C2CCCCC2)CC1 ZINC000176610984 546467741 /nfs/dbraw/zinc/46/77/41/546467741.db2.gz OABWIWAEMNVIPV-UHFFFAOYSA-N 1 3 368.566 2.487 20 0 FEADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CN4CCN3CCC4)cc2)C1 ZINC000480620349 561213207 /nfs/dbraw/zinc/21/32/07/561213207.db2.gz IBXXYIYASFDGJR-FXAWDEMLSA-N 1 3 356.514 2.247 20 0 FEADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CN4CCN3CCC4)cc2)C1 ZINC000480620349 561213208 /nfs/dbraw/zinc/21/32/08/561213208.db2.gz IBXXYIYASFDGJR-FXAWDEMLSA-N 1 3 356.514 2.247 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000480671940 561214051 /nfs/dbraw/zinc/21/40/51/561214051.db2.gz CLGQWKTXTOAPGT-WIYYLYMNSA-N 1 3 370.541 2.067 20 0 FEADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000480671940 561214052 /nfs/dbraw/zinc/21/40/52/561214052.db2.gz CLGQWKTXTOAPGT-WIYYLYMNSA-N 1 3 370.541 2.067 20 0 FEADHO CC(C)N1CCC[C@@H](N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000177701892 546670073 /nfs/dbraw/zinc/67/00/73/546670073.db2.gz CWQJBNFHRASCGN-ZIFCJYIRSA-N 1 3 351.535 2.207 20 0 FEADHO CC(C)N1CCC[C@@H](N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000177701892 546670078 /nfs/dbraw/zinc/67/00/78/546670078.db2.gz CWQJBNFHRASCGN-ZIFCJYIRSA-N 1 3 351.535 2.207 20 0 FEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481260506 561229127 /nfs/dbraw/zinc/22/91/27/561229127.db2.gz DIXNWYQQZFZUDR-YJBOKZPZSA-N 1 3 356.580 2.233 20 0 FEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481260506 561229128 /nfs/dbraw/zinc/22/91/28/561229128.db2.gz DIXNWYQQZFZUDR-YJBOKZPZSA-N 1 3 356.580 2.233 20 0 FEADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178520751 546807684 /nfs/dbraw/zinc/80/76/84/546807684.db2.gz JLGMDCOHZJIHIY-HNNXBMFYSA-N 1 3 360.502 2.468 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000178746613 546843730 /nfs/dbraw/zinc/84/37/30/546843730.db2.gz NJLVVUIUBMVALN-MDZRGWNJSA-N 1 3 367.559 2.333 20 0 FEADHO CN(C)[C@@]1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCSC1 ZINC000481777412 561241798 /nfs/dbraw/zinc/24/17/98/561241798.db2.gz JQDLOIJAGREDHU-SJLPKXTDSA-N 1 3 354.564 2.084 20 0 FEADHO CCN(Cc1ccc(C(=O)N2CCC([N@H+](C)CCO)CC2)cc1)C1CC1 ZINC000481807124 561242794 /nfs/dbraw/zinc/24/27/94/561242794.db2.gz QDUKMEUCQCFCNN-UHFFFAOYSA-N 1 3 359.514 2.200 20 0 FEADHO CCN(Cc1ccc(C(=O)N2CCC([N@@H+](C)CCO)CC2)cc1)C1CC1 ZINC000481807124 561242795 /nfs/dbraw/zinc/24/27/95/561242795.db2.gz QDUKMEUCQCFCNN-UHFFFAOYSA-N 1 3 359.514 2.200 20 0 FEADHO CN1CCN([C@H]2CCCCN(C(=O)Nc3cccc(C[NH+](C)C)c3)C2)CC1 ZINC000179363417 546939900 /nfs/dbraw/zinc/93/99/00/546939900.db2.gz OEDWZZGMRCYKDQ-FQEVSTJZSA-N 1 3 373.545 2.382 20 0 FEADHO COCC[N@H+](C)CCCC1CCN([C@@H]2CCCN(C(C)C)C2=O)CC1 ZINC000179678002 546997282 /nfs/dbraw/zinc/99/72/82/546997282.db2.gz YJIMAJBPNVHNHG-LJQANCHMSA-N 1 3 353.551 2.456 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN([C@@H]2CCCN(C(C)C)C2=O)CC1 ZINC000179678002 546997284 /nfs/dbraw/zinc/99/72/84/546997284.db2.gz YJIMAJBPNVHNHG-LJQANCHMSA-N 1 3 353.551 2.456 20 0 FEADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180962302 547220548 /nfs/dbraw/zinc/22/05/48/547220548.db2.gz CZKATRZWFWVGMS-LJQANCHMSA-N 1 3 374.573 2.300 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCCN(c3cnn(C)c3)C2)[C@@H](C)C1 ZINC000483746262 561283191 /nfs/dbraw/zinc/28/31/91/561283191.db2.gz NGONPSIWRURPQO-NSHGMRRFSA-N 1 3 363.550 2.116 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCCN(c3cnn(C)c3)C2)[C@@H](C)C1 ZINC000483746262 561283192 /nfs/dbraw/zinc/28/31/92/561283192.db2.gz NGONPSIWRURPQO-NSHGMRRFSA-N 1 3 363.550 2.116 20 0 FEADHO Cc1ccc(NC(=O)[C@@H](C)N(C)CCC[NH+]2CCN(C)CC2)c(F)c1 ZINC000182959925 547578863 /nfs/dbraw/zinc/57/88/63/547578863.db2.gz VQETUJOXOMJWEB-MRXNPFEDSA-N 1 3 350.482 2.030 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000183242615 547625921 /nfs/dbraw/zinc/62/59/21/547625921.db2.gz UWTJHLFKFXFBDC-IEBWSBKVSA-N 1 3 372.513 2.111 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccn1 ZINC000183242615 547625924 /nfs/dbraw/zinc/62/59/24/547625924.db2.gz UWTJHLFKFXFBDC-IEBWSBKVSA-N 1 3 372.513 2.111 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC000184746772 547874261 /nfs/dbraw/zinc/87/42/61/547874261.db2.gz LXSFPNORUHUBFT-HOTGVXAUSA-N 1 3 374.529 2.357 20 0 FEADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CC[NH+](CCOC)CC1)c1ccco1 ZINC000485410820 561318709 /nfs/dbraw/zinc/31/87/09/561318709.db2.gz XFGXTRKKIHJBTN-WBVHZDCISA-N 1 3 366.506 2.119 20 0 FEADHO Cc1ccc(NC(=O)Nc2ccn(CCN(C)C)n2)c(OCC[NH+](C)C)c1 ZINC000186608198 548157648 /nfs/dbraw/zinc/15/76/48/548157648.db2.gz OINKYRKSRLFGJH-UHFFFAOYSA-N 1 3 374.489 2.338 20 0 FEADHO C[NH+](C)CCn1ncc(C(=O)N[C@H]2CCN(C3CC3)C2)c1-c1ccccc1 ZINC000486301451 561343611 /nfs/dbraw/zinc/34/36/11/561343611.db2.gz XYZIFFHWZNXLKQ-KRWDZBQOSA-N 1 3 367.497 2.078 20 0 FEADHO CC[N@H+](C)CCNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000487212330 561366153 /nfs/dbraw/zinc/36/61/53/561366153.db2.gz RFBROELEEVSAMW-SFHVURJKSA-N 1 3 350.507 2.327 20 0 FEADHO CC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000487212330 561366154 /nfs/dbraw/zinc/36/61/54/561366154.db2.gz RFBROELEEVSAMW-SFHVURJKSA-N 1 3 350.507 2.327 20 0 FEADHO CN(C(=O)CCCN1CCN(c2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237201093 548808319 /nfs/dbraw/zinc/80/83/19/548808319.db2.gz VBPCVMGKBTYXHS-PMSBKCLSSA-N 1 3 370.541 2.330 20 0 FEADHO C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H](N)Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000237401894 548824336 /nfs/dbraw/zinc/82/43/36/548824336.db2.gz NKQHSMNCWWMXON-DBXWQHBBSA-N 1 3 373.541 2.294 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000246292490 549098697 /nfs/dbraw/zinc/09/86/97/549098697.db2.gz AJVUCRBMTQWFQJ-RLLQIKCJSA-N 1 3 370.541 2.475 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000246292490 549098702 /nfs/dbraw/zinc/09/87/02/549098702.db2.gz AJVUCRBMTQWFQJ-RLLQIKCJSA-N 1 3 370.541 2.475 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000246487371 549143456 /nfs/dbraw/zinc/14/34/56/549143456.db2.gz GXWASNGMLHAUMJ-LPHOPBHVSA-N 1 3 357.502 2.097 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000246487371 549143457 /nfs/dbraw/zinc/14/34/57/549143457.db2.gz GXWASNGMLHAUMJ-LPHOPBHVSA-N 1 3 357.502 2.097 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc(CN(C)C)c2)CC1=O ZINC000246529464 549154795 /nfs/dbraw/zinc/15/47/95/549154795.db2.gz WIJUEKOCEMCNBH-HKUYNNGSSA-N 1 3 372.513 2.020 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc(CN(C)C)c2)CC1=O ZINC000246529464 549154798 /nfs/dbraw/zinc/15/47/98/549154798.db2.gz WIJUEKOCEMCNBH-HKUYNNGSSA-N 1 3 372.513 2.020 20 0 FEADHO COCCN1CC[C@H](NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000488946472 561400057 /nfs/dbraw/zinc/40/00/57/561400057.db2.gz FQFRKEQGUPOINX-FPOVZHCZSA-N 1 3 374.529 2.061 20 0 FEADHO COCCN1CC[C@H](NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000488946472 561400058 /nfs/dbraw/zinc/40/00/58/561400058.db2.gz FQFRKEQGUPOINX-FPOVZHCZSA-N 1 3 374.529 2.061 20 0 FEADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000489070733 561402654 /nfs/dbraw/zinc/40/26/54/561402654.db2.gz LDBJHLVGNQQIEP-FPOVZHCZSA-N 1 3 356.514 2.388 20 0 FEADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000489070733 561402655 /nfs/dbraw/zinc/40/26/55/561402655.db2.gz LDBJHLVGNQQIEP-FPOVZHCZSA-N 1 3 356.514 2.388 20 0 FEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248790310 549502863 /nfs/dbraw/zinc/50/28/63/549502863.db2.gz XMMUSHLZGKSLDJ-YZGWKJHDSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248790310 549502866 /nfs/dbraw/zinc/50/28/66/549502866.db2.gz XMMUSHLZGKSLDJ-YZGWKJHDSA-N 1 3 358.530 2.490 20 0 FEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000489601394 561415154 /nfs/dbraw/zinc/41/51/54/561415154.db2.gz CNHKUBNVZXAWID-MSOLQXFVSA-N 1 3 350.551 2.480 20 0 FEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000489601394 561415155 /nfs/dbraw/zinc/41/51/55/561415155.db2.gz CNHKUBNVZXAWID-MSOLQXFVSA-N 1 3 350.551 2.480 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@@H](C)C1 ZINC000249352143 549582710 /nfs/dbraw/zinc/58/27/10/549582710.db2.gz QFDUNTKTILRVMO-IHPCNDPISA-N 1 3 360.546 2.068 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@@H](C)C1 ZINC000249352143 549582714 /nfs/dbraw/zinc/58/27/14/549582714.db2.gz QFDUNTKTILRVMO-IHPCNDPISA-N 1 3 360.546 2.068 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000489751103 561418251 /nfs/dbraw/zinc/41/82/51/561418251.db2.gz KHPBQNHSWYCVFC-INDMIFKZSA-N 1 3 350.551 2.479 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000489751103 561418252 /nfs/dbraw/zinc/41/82/52/561418252.db2.gz KHPBQNHSWYCVFC-INDMIFKZSA-N 1 3 350.551 2.479 20 0 FEADHO O=C1C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CN1c1ccccc1Cl ZINC000261900563 549767923 /nfs/dbraw/zinc/76/79/23/549767923.db2.gz HQQRRVPSTOZCHQ-XJNFMUPTSA-N 1 3 363.889 2.192 20 0 FEADHO CC(C)N(C)c1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000261966888 549775611 /nfs/dbraw/zinc/77/56/11/549775611.db2.gz PXOBPLLFBPSVKY-MJGOQNOKSA-N 1 3 373.545 2.006 20 0 FEADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000261980698 549776458 /nfs/dbraw/zinc/77/64/58/549776458.db2.gz HVNDJFJDYWUKTI-GOSISDBHSA-N 1 3 358.530 2.045 20 0 FEADHO O=C(NC[C@H]1CCCN(CCOc2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000262241867 549801439 /nfs/dbraw/zinc/80/14/39/549801439.db2.gz PDOOAZWKCTXNRO-CRAIPNDOSA-N 1 3 365.905 2.299 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000268830689 550120948 /nfs/dbraw/zinc/12/09/48/550120948.db2.gz DZMHDZNKQQEQMR-AZUAARDMSA-N 1 3 361.530 2.372 20 0 FEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000492728535 561452452 /nfs/dbraw/zinc/45/24/52/561452452.db2.gz OUFQHNHFBYPZRS-QAPCUYQASA-N 1 3 350.507 2.327 20 0 FEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000492728535 561452453 /nfs/dbraw/zinc/45/24/53/561452453.db2.gz OUFQHNHFBYPZRS-QAPCUYQASA-N 1 3 350.507 2.327 20 0 FEADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CNC[C@H]3CCCO3)cc2)C1 ZINC000269223752 550169435 /nfs/dbraw/zinc/16/94/35/550169435.db2.gz BYTREPKOXGHXNQ-FXAWDEMLSA-N 1 3 359.514 2.303 20 0 FEADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CNC[C@H]3CCCO3)cc2)C1 ZINC000269223752 550169436 /nfs/dbraw/zinc/16/94/36/550169436.db2.gz BYTREPKOXGHXNQ-FXAWDEMLSA-N 1 3 359.514 2.303 20 0 FEADHO [NH3+]C[C@@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)c1ccccc1 ZINC000269270777 550174908 /nfs/dbraw/zinc/17/49/08/550174908.db2.gz SLAAQOFLUOLGLW-OAQYLSRUSA-N 1 3 367.493 2.002 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)Cc1ccncc1 ZINC000493037242 561454221 /nfs/dbraw/zinc/45/42/21/561454221.db2.gz XSOCHLKQGRDGFO-IEBWSBKVSA-N 1 3 361.534 2.070 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)Cc1ccncc1 ZINC000493037242 561454222 /nfs/dbraw/zinc/45/42/22/561454222.db2.gz XSOCHLKQGRDGFO-IEBWSBKVSA-N 1 3 361.534 2.070 20 0 FEADHO CC(C)N1CC[NH+](C2CCN(C(=O)[C@H](c3ccccc3)N(C)C)CC2)CC1 ZINC000270887875 550317553 /nfs/dbraw/zinc/31/75/53/550317553.db2.gz KXPZWHWTOCCOHM-NRFANRHFSA-N 1 3 372.557 2.306 20 0 FEADHO CC(C)[NH+]1CCN(C2CCN(C(=O)[C@H](c3ccccc3)N(C)C)CC2)CC1 ZINC000270887875 550317554 /nfs/dbraw/zinc/31/75/54/550317554.db2.gz KXPZWHWTOCCOHM-NRFANRHFSA-N 1 3 372.557 2.306 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000270943217 550323666 /nfs/dbraw/zinc/32/36/66/550323666.db2.gz CVAQDORHMXLDIW-OAQYLSRUSA-N 1 3 373.541 2.447 20 0 FEADHO COCOc1ccc(OC)cc1CNCCCC[N@@H+]1CCC[C@@H]1CO ZINC000271191434 550350660 /nfs/dbraw/zinc/35/06/60/550350660.db2.gz GQQBVPUJMKCQFI-QGZVFWFLSA-N 1 3 352.475 2.004 20 0 FEADHO COCOc1ccc(OC)cc1CNCCCC[N@H+]1CCC[C@@H]1CO ZINC000271191434 550350662 /nfs/dbraw/zinc/35/06/62/550350662.db2.gz GQQBVPUJMKCQFI-QGZVFWFLSA-N 1 3 352.475 2.004 20 0 FEADHO Cn1ccnc1[C@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000271797587 550402568 /nfs/dbraw/zinc/40/25/68/550402568.db2.gz KOBQLCGFOYOIJE-LJQANCHMSA-N 1 3 354.502 2.068 20 0 FEADHO C[C@@H](NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)C1=CCN(C)CC1 ZINC000272752753 550468991 /nfs/dbraw/zinc/46/89/91/550468991.db2.gz NQXHXUBPIOOPDG-QGZVFWFLSA-N 1 3 374.529 2.467 20 0 FEADHO COCC[N@H+](C)CC[C@@H](NC(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000494712282 561474912 /nfs/dbraw/zinc/47/49/12/561474912.db2.gz DSBGXJWNZGDPFJ-HXUWFJFHSA-N 1 3 374.529 2.186 20 0 FEADHO COCC[N@@H+](C)CC[C@@H](NC(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000494712282 561474913 /nfs/dbraw/zinc/47/49/13/561474913.db2.gz DSBGXJWNZGDPFJ-HXUWFJFHSA-N 1 3 374.529 2.186 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000495131773 561482880 /nfs/dbraw/zinc/48/28/80/561482880.db2.gz ZGOHZNNHZUWQRW-FUHWJXTLSA-N 1 3 366.550 2.144 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000279475785 550894475 /nfs/dbraw/zinc/89/44/75/550894475.db2.gz KIWBPRWSKOTAON-QGZVFWFLSA-N 1 3 374.529 2.143 20 0 FEADHO Cc1nc2cc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)ccc2o1 ZINC000279639263 550911483 /nfs/dbraw/zinc/91/14/83/550911483.db2.gz WLKUXQCILWOQJD-UHFFFAOYSA-N 1 3 356.470 2.425 20 0 FEADHO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000280893436 551043229 /nfs/dbraw/zinc/04/32/29/551043229.db2.gz DSGOGPFNGRYLLW-NRFANRHFSA-N 1 3 358.530 2.175 20 0 FEADHO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000280893436 551043230 /nfs/dbraw/zinc/04/32/30/551043230.db2.gz DSGOGPFNGRYLLW-NRFANRHFSA-N 1 3 358.530 2.175 20 0 FEADHO C[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1=CCN(C)CC1 ZINC000280922807 551045989 /nfs/dbraw/zinc/04/59/89/551045989.db2.gz OJJCMTAYEPNCHA-UIFIKXQLSA-N 1 3 368.525 2.410 20 0 FEADHO C[C@@H](NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1=CCN(C)CC1 ZINC000280922807 551045990 /nfs/dbraw/zinc/04/59/90/551045990.db2.gz OJJCMTAYEPNCHA-UIFIKXQLSA-N 1 3 368.525 2.410 20 0 FEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000496648515 561495194 /nfs/dbraw/zinc/49/51/94/561495194.db2.gz GXXJGWNEKCVUMC-PKOBYXMFSA-N 1 3 362.518 2.472 20 0 FEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000496648515 561495195 /nfs/dbraw/zinc/49/51/95/561495195.db2.gz GXXJGWNEKCVUMC-PKOBYXMFSA-N 1 3 362.518 2.472 20 0 FEADHO COc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1OC(F)F ZINC000282222264 551197517 /nfs/dbraw/zinc/19/75/17/551197517.db2.gz DZOQMEPTSSAGLK-UHFFFAOYSA-N 1 3 357.445 2.412 20 0 FEADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCCS(=O)(=O)C1 ZINC000284032810 551471740 /nfs/dbraw/zinc/47/17/40/551471740.db2.gz IMHSJSPDLZRDBJ-GOSISDBHSA-N 1 3 365.543 2.445 20 0 FEADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccco1 ZINC000498592590 561529842 /nfs/dbraw/zinc/52/98/42/561529842.db2.gz LSVOEPWJLZGLQO-RLFYNMQTSA-N 1 3 368.547 2.445 20 0 FEADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000286013667 551838462 /nfs/dbraw/zinc/83/84/62/551838462.db2.gz JJTUEZYYHVJUGS-CVEARBPZSA-N 1 3 373.419 2.102 20 0 FEADHO C[N@@H+]1CCC[C@@H]1CCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000286194547 551859783 /nfs/dbraw/zinc/85/97/83/551859783.db2.gz XRXBIJJZYRTYTM-YADHBBJMSA-N 1 3 356.558 2.363 20 0 FEADHO C[N@H+]1CCC[C@@H]1CCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000286194547 551859784 /nfs/dbraw/zinc/85/97/84/551859784.db2.gz XRXBIJJZYRTYTM-YADHBBJMSA-N 1 3 356.558 2.363 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000287312809 551987961 /nfs/dbraw/zinc/98/79/61/551987961.db2.gz GYUCVYXKCJSSRM-IBGZPJMESA-N 1 3 362.518 2.329 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000288152406 552100570 /nfs/dbraw/zinc/10/05/70/552100570.db2.gz MGLCJWPUUZLXEP-APWZRJJASA-N 1 3 372.513 2.080 20 0 FEADHO C[C@H]1Oc2ccccc2[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000288432109 552152599 /nfs/dbraw/zinc/15/25/99/552152599.db2.gz DILNTXCTPKGLSR-QRWLVFNGSA-N 1 3 372.513 2.366 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000500392132 561571432 /nfs/dbraw/zinc/57/14/32/561571432.db2.gz VIQPZJHZSQWNBO-GOSISDBHSA-N 1 3 374.533 2.309 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000500392132 561571433 /nfs/dbraw/zinc/57/14/33/561571433.db2.gz VIQPZJHZSQWNBO-GOSISDBHSA-N 1 3 374.533 2.309 20 0 FEADHO COC(=O)CC[C@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000290099926 552427386 /nfs/dbraw/zinc/42/73/86/552427386.db2.gz XNSPTINJLRWIQC-RDJZCZTQSA-N 1 3 361.486 2.047 20 0 FEADHO COC(=O)c1cc([C@H](C)N(C)CC2CC[NH+](C[C@H](C)O)CC2)oc1C ZINC000292782616 552758186 /nfs/dbraw/zinc/75/81/86/552758186.db2.gz ZEOYDVYRJPELLW-KBPBESRZSA-N 1 3 352.475 2.460 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)CC1 ZINC000292828381 552762267 /nfs/dbraw/zinc/76/22/67/552762267.db2.gz BJHBSIJEHOGVHY-ICSRJNTNSA-N 1 3 356.514 2.041 20 0 FEADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(CCOC)cc2)CC1 ZINC000292843253 552763894 /nfs/dbraw/zinc/76/38/94/552763894.db2.gz PSQRUYCOJPVWFD-FQEVSTJZSA-N 1 3 364.530 2.421 20 0 FEADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(CCOC)cc2)CC1 ZINC000292843253 552763895 /nfs/dbraw/zinc/76/38/95/552763895.db2.gz PSQRUYCOJPVWFD-FQEVSTJZSA-N 1 3 364.530 2.421 20 0 FEADHO CCC[NH2+][C@@H](C)C(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000294695997 552927675 /nfs/dbraw/zinc/92/76/75/552927675.db2.gz AAEIULAWEYDQFC-PXNSSMCTSA-N 1 3 361.530 2.279 20 0 FEADHO C[NH+](C)[C@H](CNC(=O)CN1CCC2(CCC(O)CC2)CC1)c1ccccc1 ZINC000295611905 553033603 /nfs/dbraw/zinc/03/36/03/553033603.db2.gz DFVUGZYONZCIOC-HXUWFJFHSA-N 1 3 373.541 2.423 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296893083 553226215 /nfs/dbraw/zinc/22/62/15/553226215.db2.gz CZILNEHGFNFKQP-VNVJMFPYSA-N 1 3 356.514 2.431 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296893083 553226216 /nfs/dbraw/zinc/22/62/16/553226216.db2.gz CZILNEHGFNFKQP-VNVJMFPYSA-N 1 3 356.514 2.431 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000297303822 553275842 /nfs/dbraw/zinc/27/58/42/553275842.db2.gz HXJYLXOQEAWFLX-CTNGQTDRSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000297303822 553275844 /nfs/dbraw/zinc/27/58/44/553275844.db2.gz HXJYLXOQEAWFLX-CTNGQTDRSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000297303838 553275854 /nfs/dbraw/zinc/27/58/54/553275854.db2.gz HXJYLXOQEAWFLX-TZIWHRDSSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000297303838 553275855 /nfs/dbraw/zinc/27/58/55/553275855.db2.gz HXJYLXOQEAWFLX-TZIWHRDSSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C)CCn1nccc1NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000297507424 553301654 /nfs/dbraw/zinc/30/16/54/553301654.db2.gz UMFDZTMMUMLBRY-UHFFFAOYSA-N 1 3 362.478 2.024 20 0 FEADHO CN(CCCN(C)C(=O)Nc1ccnn1CC[NH+](C)C)Cc1ccco1 ZINC000297507424 553301656 /nfs/dbraw/zinc/30/16/56/553301656.db2.gz UMFDZTMMUMLBRY-UHFFFAOYSA-N 1 3 362.478 2.024 20 0 FEADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000503199178 561636444 /nfs/dbraw/zinc/63/64/44/561636444.db2.gz ODNSLYVDYSORPH-OKZBNKHCSA-N 1 3 359.580 2.148 20 0 FEADHO CN1CCCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000299448892 553564898 /nfs/dbraw/zinc/56/48/98/553564898.db2.gz OGKSRYQIUOMQGS-INIZCTEOSA-N 1 3 350.532 2.307 20 0 FEADHO CN1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000299448892 553564900 /nfs/dbraw/zinc/56/49/00/553564900.db2.gz OGKSRYQIUOMQGS-INIZCTEOSA-N 1 3 350.532 2.307 20 0 FEADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000504403175 561657603 /nfs/dbraw/zinc/65/76/03/561657603.db2.gz IPIOBSAPSPKSCD-IBGZPJMESA-N 1 3 369.598 2.020 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+]C(C)(C)C(C)(C)O)CC1 ZINC000505608860 561675237 /nfs/dbraw/zinc/67/52/37/561675237.db2.gz PAJCKMHCWDIYAE-UHFFFAOYSA-N 1 3 361.530 2.215 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cc(C)ccc1OC ZINC000505725072 561678559 /nfs/dbraw/zinc/67/85/59/561678559.db2.gz HYPDBNBOPDOFJO-IBGZPJMESA-N 1 3 361.530 2.421 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cc(C)ccc1OC ZINC000505725072 561678560 /nfs/dbraw/zinc/67/85/60/561678560.db2.gz HYPDBNBOPDOFJO-IBGZPJMESA-N 1 3 361.530 2.421 20 0 FEADHO [NH3+]C[C@@H]1CN(CCCN2C(=O)c3ccccc3C2=O)C[C@H]1c1ccccc1 ZINC000328475489 553794180 /nfs/dbraw/zinc/79/41/80/553794180.db2.gz OOLLISCJRMSIHW-XLIONFOSSA-N 1 3 363.461 2.347 20 0 FEADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000507508561 561731246 /nfs/dbraw/zinc/73/12/46/561731246.db2.gz JNNVTBCBKYYTRB-YLJYHZDGSA-N 1 3 359.514 2.417 20 0 FEADHO COCC[N@H+](C)CC[C@@H](NC(=O)N1CCCN(C)CC1)c1ccccc1 ZINC000510559543 561838842 /nfs/dbraw/zinc/83/88/42/561838842.db2.gz MVOBHBQKMHNHMJ-LJQANCHMSA-N 1 3 362.518 2.043 20 0 FEADHO COCC[N@@H+](C)CC[C@@H](NC(=O)N1CCCN(C)CC1)c1ccccc1 ZINC000510559543 561838843 /nfs/dbraw/zinc/83/88/43/561838843.db2.gz MVOBHBQKMHNHMJ-LJQANCHMSA-N 1 3 362.518 2.043 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)CC1 ZINC000333258047 554595379 /nfs/dbraw/zinc/59/53/79/554595379.db2.gz DMVZQVLANPVWCC-LPHOPBHVSA-N 1 3 357.502 2.044 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)c2)CC1 ZINC000333336767 554604071 /nfs/dbraw/zinc/60/40/71/554604071.db2.gz PBYXBNOSVHJDTL-OAQYLSRUSA-N 1 3 371.529 2.436 20 0 FEADHO [NH3+]C1(CNC(=O)NC[C@H]2CCCCN2C2CC2)C2CC3CC(C2)CC1C3 ZINC000333845696 554648988 /nfs/dbraw/zinc/64/89/88/554648988.db2.gz WEGGVNSNFPPCRS-ASGQDLFJSA-N 1 3 360.546 2.456 20 0 FEADHO C[C@H](CNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)N1CCC[C@@H](C)C1 ZINC000333908891 554654835 /nfs/dbraw/zinc/65/48/35/554654835.db2.gz DLJDHNFWDMFBJH-FPAYPSAMSA-N 1 3 366.550 2.035 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C[N@@H+]1C1CC1 ZINC000361667089 554927865 /nfs/dbraw/zinc/92/78/65/554927865.db2.gz MNRFTKFUEIGMGA-QRQLOZEOSA-N 1 3 371.529 2.218 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C[N@H+]1C1CC1 ZINC000361667089 554927870 /nfs/dbraw/zinc/92/78/70/554927870.db2.gz MNRFTKFUEIGMGA-QRQLOZEOSA-N 1 3 371.529 2.218 20 0 FEADHO CC(C)COC(=O)N1CCC([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)CC1 ZINC000361754975 554932758 /nfs/dbraw/zinc/93/27/58/554932758.db2.gz JCLXCMXBBHSYHF-SFHVURJKSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H]1CN(CCC(=O)Nc2ccccc2F)CCN1C1CC[NH+](C)CC1 ZINC000362644280 554977846 /nfs/dbraw/zinc/97/78/46/554977846.db2.gz ZCTQEALELIFUGO-MRXNPFEDSA-N 1 3 362.493 2.255 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000363523139 555127631 /nfs/dbraw/zinc/12/76/31/555127631.db2.gz SOLODSJKRGEOTL-RBUKOAKNSA-N 1 3 371.529 2.077 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000363523139 555127633 /nfs/dbraw/zinc/12/76/33/555127633.db2.gz SOLODSJKRGEOTL-RBUKOAKNSA-N 1 3 371.529 2.077 20 0 FEADHO COc1ccc(CNCC2CC[NH+](CCO)CC2)c(Br)c1 ZINC000512029674 561889795 /nfs/dbraw/zinc/88/97/95/561889795.db2.gz DBVSYXZIIFKJRH-UHFFFAOYSA-N 1 3 357.292 2.252 20 0 FEADHO CC1CCN(CC(=O)NCCC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000363872156 555203552 /nfs/dbraw/zinc/20/35/52/555203552.db2.gz ABQBODOAQYXBEK-UHFFFAOYSA-N 1 3 364.578 2.031 20 0 FEADHO CN(c1ccccc1C[N@@H+]1CCCC[C@H]1CC(N)=O)C1CCN(C)CC1 ZINC000512237194 561896881 /nfs/dbraw/zinc/89/68/81/561896881.db2.gz NUOFYJUFKSGREW-IBGZPJMESA-N 1 3 358.530 2.447 20 0 FEADHO CN(c1ccccc1C[N@H+]1CCCC[C@H]1CC(N)=O)C1CCN(C)CC1 ZINC000512237194 561896882 /nfs/dbraw/zinc/89/68/82/561896882.db2.gz NUOFYJUFKSGREW-IBGZPJMESA-N 1 3 358.530 2.447 20 0 FEADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000364158816 555260230 /nfs/dbraw/zinc/26/02/30/555260230.db2.gz FMHAFKWWUOMWTE-NEWSRXKRSA-N 1 3 359.518 2.106 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000364158816 555260231 /nfs/dbraw/zinc/26/02/31/555260231.db2.gz FMHAFKWWUOMWTE-NEWSRXKRSA-N 1 3 359.518 2.106 20 0 FEADHO CC1CC[NH+](CCNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 ZINC000364161888 555261241 /nfs/dbraw/zinc/26/12/41/555261241.db2.gz QHHYJYDRGDNLDK-OALUTQOASA-N 1 3 359.518 2.106 20 0 FEADHO c1ccc(CN2CC[C@]3(CC[N@@H+](CCN4C[C@H]5CC[C@@H](C4)O5)C3)C2)cc1 ZINC000512275947 561898387 /nfs/dbraw/zinc/89/83/87/561898387.db2.gz HMCACPNNQKHLLH-BDTNDASRSA-N 1 3 355.526 2.448 20 0 FEADHO c1ccc(CN2CC[C@]3(CC[N@H+](CCN4C[C@H]5CC[C@@H](C4)O5)C3)C2)cc1 ZINC000512275947 561898388 /nfs/dbraw/zinc/89/83/88/561898388.db2.gz HMCACPNNQKHLLH-BDTNDASRSA-N 1 3 355.526 2.448 20 0 FEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000364285455 555284388 /nfs/dbraw/zinc/28/43/88/555284388.db2.gz MWJOZCSAEYWQTE-LJQANCHMSA-N 1 3 373.545 2.072 20 0 FEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000364285455 555284390 /nfs/dbraw/zinc/28/43/90/555284390.db2.gz MWJOZCSAEYWQTE-LJQANCHMSA-N 1 3 373.545 2.072 20 0 FEADHO O=C(C[C@H]1CCC[NH2+]CC1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000364461920 555318039 /nfs/dbraw/zinc/31/80/39/555318039.db2.gz BNFCKYWVPYYCFC-KRWDZBQOSA-N 1 3 359.514 2.039 20 0 FEADHO CS(=O)(=O)N1CCCC[C@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000513001520 561922189 /nfs/dbraw/zinc/92/21/89/561922189.db2.gz ISEKKVVBHIFNHC-IBGZPJMESA-N 1 3 365.543 2.055 20 0 FEADHO COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1O ZINC000365251581 555523092 /nfs/dbraw/zinc/52/30/92/555523092.db2.gz XZOSDGCDHCWHKM-AEFFLSMTSA-N 1 3 361.530 2.480 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000365644028 555629904 /nfs/dbraw/zinc/62/99/04/555629904.db2.gz UZGIGZPQPXCFIF-AZUAARDMSA-N 1 3 356.514 2.185 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000365644028 555629907 /nfs/dbraw/zinc/62/99/07/555629907.db2.gz UZGIGZPQPXCFIF-AZUAARDMSA-N 1 3 356.514 2.185 20 0 FEADHO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000365721885 555650510 /nfs/dbraw/zinc/65/05/10/555650510.db2.gz IIFYFIJUODPCMK-FGTMMUONSA-N 1 3 371.591 2.067 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3nnc(C)s3)CC2)CC1 ZINC000514613926 561970161 /nfs/dbraw/zinc/97/01/61/561970161.db2.gz QQSCPOCLKCXOGG-ZDUSSCGKSA-N 1 3 365.547 2.220 20 0 FEADHO CN(CCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1)c1cc[nH+]cc1 ZINC000514665634 561972670 /nfs/dbraw/zinc/97/26/70/561972670.db2.gz OTAYPASIMQMRLQ-IBGZPJMESA-N 1 3 354.454 2.113 20 0 FEADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000367532965 556075883 /nfs/dbraw/zinc/07/58/83/556075883.db2.gz GJWNYNBOFIWKQW-FZDIXFNVSA-N 1 3 365.543 2.460 20 0 FEADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000367532965 556075888 /nfs/dbraw/zinc/07/58/88/556075888.db2.gz GJWNYNBOFIWKQW-FZDIXFNVSA-N 1 3 365.543 2.460 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000367532965 556075890 /nfs/dbraw/zinc/07/58/90/556075890.db2.gz GJWNYNBOFIWKQW-FZDIXFNVSA-N 1 3 365.543 2.460 20 0 FEADHO CN(C[C@@H](O)Cc1cccc(Cl)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367849747 556154214 /nfs/dbraw/zinc/15/42/14/556154214.db2.gz QEVNXKVFESKNEN-PMACEKPBSA-N 1 3 365.949 2.344 20 0 FEADHO CN(C[C@@H](O)Cc1cccc(Cl)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367849747 556154218 /nfs/dbraw/zinc/15/42/18/556154218.db2.gz QEVNXKVFESKNEN-PMACEKPBSA-N 1 3 365.949 2.344 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+](C)[C@@H]3c3cccs3)[C@H]2C1 ZINC000367916839 556171983 /nfs/dbraw/zinc/17/19/83/556171983.db2.gz KCNVPALKZWQSDF-CVYDXHPNSA-N 1 3 362.543 2.477 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+](C)[C@@H]3c3cccs3)[C@H]2C1 ZINC000367916839 556171984 /nfs/dbraw/zinc/17/19/84/556171984.db2.gz KCNVPALKZWQSDF-CVYDXHPNSA-N 1 3 362.543 2.477 20 0 FEADHO COCC[C@@H]1COCCN1CCCCCC[N@@H+]1CCOC[C@H]1CCOC ZINC000368270025 556264396 /nfs/dbraw/zinc/26/43/96/556264396.db2.gz QTPKQRFMWASDOT-WOJBJXKFSA-N 1 3 372.550 2.021 20 0 FEADHO COCC[C@@H]1COCCN1CCCCCC[N@H+]1CCOC[C@H]1CCOC ZINC000368270025 556264401 /nfs/dbraw/zinc/26/44/01/556264401.db2.gz QTPKQRFMWASDOT-WOJBJXKFSA-N 1 3 372.550 2.021 20 0 FEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000368454061 556313689 /nfs/dbraw/zinc/31/36/89/556313689.db2.gz JCWWRFIGFVXLPM-GOSISDBHSA-N 1 3 366.550 2.003 20 0 FEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000368454061 556313691 /nfs/dbraw/zinc/31/36/91/556313691.db2.gz JCWWRFIGFVXLPM-GOSISDBHSA-N 1 3 366.550 2.003 20 0 FEADHO CCN1CCN(CCC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000368870276 556434567 /nfs/dbraw/zinc/43/45/67/556434567.db2.gz WMMISZWDDFZQFM-UHFFFAOYSA-N 1 3 364.578 2.319 20 0 FEADHO Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCN(C3CCOCC3)CC2)c1 ZINC000368875819 556435557 /nfs/dbraw/zinc/43/55/57/556435557.db2.gz NDXXDEDLUYFBFW-HXUWFJFHSA-N 1 3 362.514 2.310 20 0 FEADHO Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCN(C3CCOCC3)CC2)c1 ZINC000368875819 556435561 /nfs/dbraw/zinc/43/55/61/556435561.db2.gz NDXXDEDLUYFBFW-HXUWFJFHSA-N 1 3 362.514 2.310 20 0 FEADHO O=C(NC1CCN(CCc2ccncc2)CC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368884164 556438725 /nfs/dbraw/zinc/43/87/25/556438725.db2.gz PKJSYEQPQSDHCT-VQTJNVASSA-N 1 3 371.529 2.015 20 0 FEADHO O=C(NC1CCN(CCc2ccncc2)CC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368884164 556438728 /nfs/dbraw/zinc/43/87/28/556438728.db2.gz PKJSYEQPQSDHCT-VQTJNVASSA-N 1 3 371.529 2.015 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCCC[NH+]1CCCC1 ZINC000515848784 562023735 /nfs/dbraw/zinc/02/37/35/562023735.db2.gz QYMNHPCBINLAAJ-UHFFFAOYSA-N 1 3 350.482 2.385 20 0 FEADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C[C@](C)(O)C(F)(F)F ZINC000369185850 556529002 /nfs/dbraw/zinc/52/90/02/556529002.db2.gz ASVWFRXLKDSNKW-KRWDZBQOSA-N 1 3 365.484 2.428 20 0 FEADHO c1cnn([C@@H]2CCCN(CCOCC[N@@H+]3CCC[C@@H](n4cccn4)C3)C2)c1 ZINC000370167303 556800120 /nfs/dbraw/zinc/80/01/20/556800120.db2.gz MMHUQTIRSIKVIN-WOJBJXKFSA-N 1 3 372.517 2.070 20 0 FEADHO c1cnn([C@@H]2CCCN(CCOCC[N@H+]3CCC[C@@H](n4cccn4)C3)C2)c1 ZINC000370167303 556800121 /nfs/dbraw/zinc/80/01/21/556800121.db2.gz MMHUQTIRSIKVIN-WOJBJXKFSA-N 1 3 372.517 2.070 20 0 FEADHO Cc1csc(=O)n1CCN1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000370208269 556811672 /nfs/dbraw/zinc/81/16/72/556811672.db2.gz REKORXNJSHQEBZ-IAGOWNOFSA-N 1 3 367.559 2.430 20 0 FEADHO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000516867626 562061647 /nfs/dbraw/zinc/06/16/47/562061647.db2.gz JBMHDOSZHWHZIX-IAGOWNOFSA-N 1 3 374.529 2.095 20 0 FEADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CNCCCO1 ZINC000516957947 562067517 /nfs/dbraw/zinc/06/75/17/562067517.db2.gz KJWVJDVAIOOPCV-SWLSCSKDSA-N 1 3 370.291 2.134 20 0 FEADHO [NH3+][C@@H](CC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000371280955 557129670 /nfs/dbraw/zinc/12/96/70/557129670.db2.gz SVZYGGDQWSYDFL-QUCCMNQESA-N 1 3 352.482 2.500 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000371313194 557142575 /nfs/dbraw/zinc/14/25/75/557142575.db2.gz JWRJHCKKIVUOLZ-JTDSTZFVSA-N 1 3 360.546 2.375 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371313194 557142578 /nfs/dbraw/zinc/14/25/78/557142578.db2.gz JWRJHCKKIVUOLZ-JTDSTZFVSA-N 1 3 360.546 2.375 20 0 FEADHO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(CN4CCC(CO)CC4)cc3)C[C@H]21 ZINC000371553821 557220733 /nfs/dbraw/zinc/22/07/33/557220733.db2.gz NJYNDWORHVCNEY-PZJWPPBQSA-N 1 3 371.525 2.057 20 0 FEADHO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(CN4CCC(CO)CC4)cc3)C[C@H]21 ZINC000371553821 557220736 /nfs/dbraw/zinc/22/07/36/557220736.db2.gz NJYNDWORHVCNEY-PZJWPPBQSA-N 1 3 371.525 2.057 20 0 FEADHO CCCN1CCN(C2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)CC1 ZINC000371803437 557297869 /nfs/dbraw/zinc/29/78/69/557297869.db2.gz PLBMUZKUYQZKRL-QFIPXVFZSA-N 1 3 359.558 2.472 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000372073878 557372571 /nfs/dbraw/zinc/37/25/71/557372571.db2.gz PUJMXSDUTAWUCO-MDNKFWRPSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000372073878 557372574 /nfs/dbraw/zinc/37/25/74/557372574.db2.gz PUJMXSDUTAWUCO-MDNKFWRPSA-N 1 3 356.514 2.433 20 0 FEADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000372192070 557404833 /nfs/dbraw/zinc/40/48/33/557404833.db2.gz LHQRWFRPPFPEGA-AHRSYUTCSA-N 1 3 361.530 2.105 20 0 FEADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000372192070 557404834 /nfs/dbraw/zinc/40/48/34/557404834.db2.gz LHQRWFRPPFPEGA-AHRSYUTCSA-N 1 3 361.530 2.105 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)[C@@H](OC)C3)CC2)CC1 ZINC000519178732 562126651 /nfs/dbraw/zinc/12/66/51/562126651.db2.gz NKQNROVGZLKJIV-LPHOPBHVSA-N 1 3 351.535 2.066 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000519356572 562129884 /nfs/dbraw/zinc/12/98/84/562129884.db2.gz NESNUOHFJCNFLY-UHFFFAOYSA-N 1 3 368.566 2.438 20 0 FEADHO CC[N@H+](CCNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)C1CC1 ZINC000372526504 557492730 /nfs/dbraw/zinc/49/27/30/557492730.db2.gz JIHWESIWCWXAAS-HKUYNNGSSA-N 1 3 359.518 2.200 20 0 FEADHO CC[N@@H+](CCNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)C1CC1 ZINC000372526504 557492733 /nfs/dbraw/zinc/49/27/33/557492733.db2.gz JIHWESIWCWXAAS-HKUYNNGSSA-N 1 3 359.518 2.200 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC[NH2+]1 ZINC000519695137 562140285 /nfs/dbraw/zinc/14/02/85/562140285.db2.gz FWTJLZAAJKNZNK-BZUAXINKSA-N 1 3 350.532 2.400 20 0 FEADHO C[C@@H]1CN(Cc2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)N4)cc2)C[C@H](C)O1 ZINC000372896315 557583950 /nfs/dbraw/zinc/58/39/50/557583950.db2.gz BMHOKAKUHANNBY-NFQUHZNNSA-N 1 3 357.498 2.262 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)CCCO1 ZINC000372976544 557601477 /nfs/dbraw/zinc/60/14/77/557601477.db2.gz DBIYJAHWJPELGY-RTBURBONSA-N 1 3 366.550 2.147 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCSC[C@@H](C)C3)CC2)CC1 ZINC000519831012 562145761 /nfs/dbraw/zinc/14/57/61/562145761.db2.gz BMEUEYDRLRZHGC-INIZCTEOSA-N 1 3 353.576 2.394 20 0 FEADHO C[C@H]1N(CC(O)C[N@@H+]2CCC3(CCOCC3)[C@H]2C)CCC12CCOCC2 ZINC000373180003 557645068 /nfs/dbraw/zinc/64/50/68/557645068.db2.gz MZEAFFYNACGQAG-QZTJIDSGSA-N 1 3 366.546 2.129 20 0 FEADHO C[C@H]1N(CC(O)C[N@H+]2CCC3(CCOCC3)[C@H]2C)CCC12CCOCC2 ZINC000373180003 557645070 /nfs/dbraw/zinc/64/50/70/557645070.db2.gz MZEAFFYNACGQAG-QZTJIDSGSA-N 1 3 366.546 2.129 20 0 FEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000373260563 557660534 /nfs/dbraw/zinc/66/05/34/557660534.db2.gz LZODMKCCJNDYMY-MSOLQXFVSA-N 1 3 366.550 2.146 20 0 FEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000373260563 557660536 /nfs/dbraw/zinc/66/05/36/557660536.db2.gz LZODMKCCJNDYMY-MSOLQXFVSA-N 1 3 366.550 2.146 20 0 FEADHO CN1CCC(n2ccc(=NC(=O)NCCC[NH2+]C3CCCCC3)[nH]2)CC1 ZINC000373349687 557677407 /nfs/dbraw/zinc/67/74/07/557677407.db2.gz JELVCVMKPHBSDV-UHFFFAOYSA-N 1 3 362.522 2.584 20 0 FEADHO CN(C)CC1(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000373988379 557801983 /nfs/dbraw/zinc/80/19/83/557801983.db2.gz AHMLUCRZKRJTQZ-LJQANCHMSA-N 1 3 358.530 2.335 20 0 FEADHO CN(C)CC1(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000373988379 557801984 /nfs/dbraw/zinc/80/19/84/557801984.db2.gz AHMLUCRZKRJTQZ-LJQANCHMSA-N 1 3 358.530 2.335 20 0 FEADHO C[NH+]1CCC2(CCCN(C(=O)CC3(N4CCOCC4)CCCC3)C2)CC1 ZINC000374116333 557826320 /nfs/dbraw/zinc/82/63/20/557826320.db2.gz XGVADPCQEREOFJ-UHFFFAOYSA-N 1 3 363.546 2.356 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000374200981 557842693 /nfs/dbraw/zinc/84/26/93/557842693.db2.gz WFMHCDFPUHMHLY-NRFANRHFSA-N 1 3 356.514 2.460 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000374200981 557842696 /nfs/dbraw/zinc/84/26/96/557842696.db2.gz WFMHCDFPUHMHLY-NRFANRHFSA-N 1 3 356.514 2.460 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000520960258 562166558 /nfs/dbraw/zinc/16/65/58/562166558.db2.gz WIJDJEYTHJXNEG-SJORKVTESA-N 1 3 361.530 2.382 20 0 FEADHO Cn1cc([C@H](N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc2)cn1 ZINC000374231427 557847650 /nfs/dbraw/zinc/84/76/50/557847650.db2.gz QYHYCYPJVRCCAI-TZIWHRDSSA-N 1 3 353.514 2.268 20 0 FEADHO Cn1cc([C@@H](N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc2)cn1 ZINC000374231423 557847681 /nfs/dbraw/zinc/84/76/81/557847681.db2.gz QYHYCYPJVRCCAI-FPOVZHCZSA-N 1 3 353.514 2.268 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000374470448 557888262 /nfs/dbraw/zinc/88/82/62/557888262.db2.gz JDFGLGVVJAFDME-HKUYNNGSSA-N 1 3 357.502 2.224 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000374470448 557888264 /nfs/dbraw/zinc/88/82/64/557888264.db2.gz JDFGLGVVJAFDME-HKUYNNGSSA-N 1 3 357.502 2.224 20 0 FEADHO CN(c1ccccc1CN[C@@H]1CC(=O)N2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000374592896 557903789 /nfs/dbraw/zinc/90/37/89/557903789.db2.gz LDUNRDXFQCCTNC-CTNGQTDRSA-N 1 3 370.541 2.460 20 0 FEADHO C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCN4CCC3CC4)cc2)CC1 ZINC000375168508 557986493 /nfs/dbraw/zinc/98/64/93/557986493.db2.gz RLLOCDYTAPUGPV-UHFFFAOYSA-N 1 3 372.513 2.149 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000376021164 558115061 /nfs/dbraw/zinc/11/50/61/558115061.db2.gz ZHWPKDXFZIBVDQ-CEXWTWQISA-N 1 3 352.486 2.326 20 0 FEADHO CCC[C@@]1(CO)CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000521643385 562181177 /nfs/dbraw/zinc/18/11/77/562181177.db2.gz DSLIZOKWOPKAHP-OAQYLSRUSA-N 1 3 365.562 2.194 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)CC3)cc2)CC1 ZINC000377291605 558307700 /nfs/dbraw/zinc/30/77/00/558307700.db2.gz MFPWGSHCUUJSTH-LJQANCHMSA-N 1 3 358.530 2.385 20 0 FEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000378112665 558484253 /nfs/dbraw/zinc/48/42/53/558484253.db2.gz OGZYYGCUNZUFMA-INDMIFKZSA-N 1 3 368.566 2.295 20 0 FEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000378112665 558484254 /nfs/dbraw/zinc/48/42/54/558484254.db2.gz OGZYYGCUNZUFMA-INDMIFKZSA-N 1 3 368.566 2.295 20 0 FEADHO O=C(NCCC[NH+]1CCCCCC1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000523687539 562217715 /nfs/dbraw/zinc/21/77/15/562217715.db2.gz GLKXWDRJPVWCBG-NRFANRHFSA-N 1 3 359.514 2.006 20 0 FEADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390956424 558613306 /nfs/dbraw/zinc/61/33/06/558613306.db2.gz VYNJJHQMOCQUMR-SLFFLAALSA-N 1 3 359.514 2.301 20 0 FEADHO CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000391012665 558613380 /nfs/dbraw/zinc/61/33/80/558613380.db2.gz WZMGJXDLQYWYOP-RTBURBONSA-N 1 3 359.514 2.172 20 0 FEADHO c1ccc(CN2CCN(CCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000390912396 558613414 /nfs/dbraw/zinc/61/34/14/558613414.db2.gz QAHZEIROUQXBOJ-BHDDXSALSA-N 1 3 356.558 2.315 20 0 FEADHO CNC(=O)c1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000397559789 558624915 /nfs/dbraw/zinc/62/49/15/558624915.db2.gz QGGXPKAEKDEBQN-UHFFFAOYSA-N 1 3 367.493 2.163 20 0 FEADHO COC(=O)C[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000411517686 558909296 /nfs/dbraw/zinc/90/92/96/558909296.db2.gz NIKHRNOKYBTCTN-GOSISDBHSA-N 1 3 367.534 2.077 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NCC[N@@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000525805525 562255616 /nfs/dbraw/zinc/25/56/16/562255616.db2.gz OKBQRXWMPQXZSE-GOSISDBHSA-N 1 3 358.530 2.289 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NCC[N@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000525805525 562255617 /nfs/dbraw/zinc/25/56/17/562255617.db2.gz OKBQRXWMPQXZSE-GOSISDBHSA-N 1 3 358.530 2.289 20 0 FEADHO CCO[C@H]1C[C@@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000411717552 558949763 /nfs/dbraw/zinc/94/97/63/558949763.db2.gz HPMGUTCLLXIKOM-MSOLQXFVSA-N 1 3 351.535 2.303 20 0 FEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000412768850 559055105 /nfs/dbraw/zinc/05/51/05/559055105.db2.gz CRIHKQOUEIHDOF-HXUWFJFHSA-N 1 3 373.541 2.394 20 0 FEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000412768850 559055106 /nfs/dbraw/zinc/05/51/06/559055106.db2.gz CRIHKQOUEIHDOF-HXUWFJFHSA-N 1 3 373.541 2.394 20 0 FEADHO c1cc(N2CCN(CCCNc3cc(NC4CC4)ncn3)CC2)cc[nH+]1 ZINC000413110941 559078982 /nfs/dbraw/zinc/07/89/82/559078982.db2.gz VKAKEPWJBUIHEL-UHFFFAOYSA-N 1 3 353.474 2.070 20 0 FEADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414180460 559151645 /nfs/dbraw/zinc/15/16/45/559151645.db2.gz BDUDWUNCWDHSLT-ICSRJNTNSA-N 1 3 361.530 2.149 20 0 FEADHO CCO[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1(CC)CC ZINC000414182729 559151803 /nfs/dbraw/zinc/15/18/03/559151803.db2.gz DHWXBBOPSFZADW-MOPGFXCFSA-N 1 3 367.578 2.356 20 0 FEADHO COc1cc([C@H](C)NCC[C@@H]2CCC[N@H+](C)C2)ccc1S(C)(=O)=O ZINC000414189155 559152201 /nfs/dbraw/zinc/15/22/01/559152201.db2.gz RCYPRKFNRZXFTR-GJZGRUSLSA-N 1 3 354.516 2.481 20 0 FEADHO COc1cc([C@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)ccc1S(C)(=O)=O ZINC000414189155 559152203 /nfs/dbraw/zinc/15/22/03/559152203.db2.gz RCYPRKFNRZXFTR-GJZGRUSLSA-N 1 3 354.516 2.481 20 0 FEADHO CN1CCC(C[NH2+]C2CCc3ccccc3CC2)(N2CCOCC2)CC1 ZINC000414192082 559152533 /nfs/dbraw/zinc/15/25/33/559152533.db2.gz LXBKWYRMCNDKIA-UHFFFAOYSA-N 1 3 357.542 2.320 20 0 FEADHO CN1CCC(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)(N2CCOCC2)CC1 ZINC000414201005 559152619 /nfs/dbraw/zinc/15/26/19/559152619.db2.gz SFXOJTWISLNLTJ-JKSUJKDBSA-N 1 3 363.468 2.494 20 0 FEADHO CC(C)[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(F)cn1 ZINC000414204947 559152909 /nfs/dbraw/zinc/15/29/09/559152909.db2.gz WVSLNTSEJDMBOQ-LJQANCHMSA-N 1 3 364.509 2.304 20 0 FEADHO COc1ccc2cc(C[N@H+](C)C[C@@H]3CCCN(C(=O)CN)C3)ccc2c1 ZINC000414681664 559179285 /nfs/dbraw/zinc/17/92/85/559179285.db2.gz PRBWYWFWHWHERJ-KRWDZBQOSA-N 1 3 355.482 2.478 20 0 FEADHO COc1ccc2cc(C[N@@H+](C)C[C@@H]3CCCN(C(=O)CN)C3)ccc2c1 ZINC000414681664 559179287 /nfs/dbraw/zinc/17/92/87/559179287.db2.gz PRBWYWFWHWHERJ-KRWDZBQOSA-N 1 3 355.482 2.478 20 0 FEADHO CC1CCC([N@H+](C[C@@H]2CCCO2)C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414693075 559179993 /nfs/dbraw/zinc/17/99/93/559179993.db2.gz DIZLQZJWPGYXMW-JEVOJNTISA-N 1 3 351.535 2.243 20 0 FEADHO CC1CCC([N@@H+](C[C@@H]2CCCO2)C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414693075 559179994 /nfs/dbraw/zinc/17/99/94/559179994.db2.gz DIZLQZJWPGYXMW-JEVOJNTISA-N 1 3 351.535 2.243 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)C1 ZINC000414694998 559180292 /nfs/dbraw/zinc/18/02/92/559180292.db2.gz OLGZPDPIRPFNCN-HKUYNNGSSA-N 1 3 363.477 2.004 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)C1 ZINC000414694998 559180293 /nfs/dbraw/zinc/18/02/93/559180293.db2.gz OLGZPDPIRPFNCN-HKUYNNGSSA-N 1 3 363.477 2.004 20 0 FEADHO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000414698599 559180567 /nfs/dbraw/zinc/18/05/67/559180567.db2.gz DHLQENKHVDLUSX-UHFFFAOYSA-N 1 3 360.502 2.055 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)c(C)c2)CC1 ZINC000414755221 559185219 /nfs/dbraw/zinc/18/52/19/559185219.db2.gz SYTBYJNLOPWNHG-IAGOWNOFSA-N 1 3 359.518 2.386 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)c1 ZINC000414857941 559191097 /nfs/dbraw/zinc/19/10/97/559191097.db2.gz QQMRAJRPLHSKDB-IBGZPJMESA-N 1 3 372.513 2.212 20 0 FEADHO C[C@H](NC(C)(C)CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000414874540 559192147 /nfs/dbraw/zinc/19/21/47/559192147.db2.gz YMLATMBIRFWXHH-HNNXBMFYSA-N 1 3 368.481 2.329 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)c1 ZINC000414902009 559194220 /nfs/dbraw/zinc/19/42/20/559194220.db2.gz JHUJOHKLEPKZAL-LJQANCHMSA-N 1 3 372.513 2.115 20 0 FEADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CNCCCO1 ZINC000415049318 559202457 /nfs/dbraw/zinc/20/24/57/559202457.db2.gz XWIMSFUNQSNWAG-ZBFHGGJFSA-N 1 3 353.894 2.045 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415064403 559203280 /nfs/dbraw/zinc/20/32/80/559203280.db2.gz CMMROOJWHPHHBA-PKOBYXMFSA-N 1 3 374.554 2.494 20 0 FEADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415069229 559203805 /nfs/dbraw/zinc/20/38/05/559203805.db2.gz OMMGNVLUVHDVEB-RDJZCZTQSA-N 1 3 362.543 2.479 20 0 FEADHO COc1cccc(C2(C[NH2+]C[C@H]3CCCN(C(=O)CN)C3)CCCC2)c1 ZINC000415085905 559204555 /nfs/dbraw/zinc/20/45/55/559204555.db2.gz IYPINAWLMUYLPY-QGZVFWFLSA-N 1 3 359.514 2.294 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)C1 ZINC000415083648 559204581 /nfs/dbraw/zinc/20/45/81/559204581.db2.gz OANJUOUFZRKRME-CVEARBPZSA-N 1 3 364.921 2.096 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)C1 ZINC000415130456 559206963 /nfs/dbraw/zinc/20/69/63/559206963.db2.gz WUOYCHKPUSCWQF-NQIIRXRSSA-N 1 3 373.541 2.457 20 0 FEADHO CC[C@H](CN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000415141593 559208327 /nfs/dbraw/zinc/20/83/27/559208327.db2.gz PQSJEWOBJHWGMM-NSISKUIASA-N 1 3 356.514 2.400 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(CNC)c1 ZINC000415160978 559210406 /nfs/dbraw/zinc/21/04/06/559210406.db2.gz HYDKWUXVJLQNRL-HKUYNNGSSA-N 1 3 374.529 2.361 20 0 FEADHO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415811249 559273814 /nfs/dbraw/zinc/27/38/14/559273814.db2.gz YIALQCAAGQVBEC-GOSISDBHSA-N 1 3 372.513 2.259 20 0 FEADHO C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C[C@@H]1C[NH3+] ZINC000415834439 559276730 /nfs/dbraw/zinc/27/67/30/559276730.db2.gz ANMCXYYRRFWSOA-WMZOPIPTSA-N 1 3 372.513 2.054 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415938593 559283532 /nfs/dbraw/zinc/28/35/32/559283532.db2.gz PGFAIBZARYFGCU-GOSISDBHSA-N 1 3 356.470 2.319 20 0 FEADHO CN(C)CCN(Cc1ccco1)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415949955 559283907 /nfs/dbraw/zinc/28/39/07/559283907.db2.gz BDKBHUPGDLVKIC-HNNXBMFYSA-N 1 3 357.458 2.086 20 0 FEADHO C[NH2+]Cc1ccc(NC(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000415980962 559286674 /nfs/dbraw/zinc/28/66/74/559286674.db2.gz HUYWFHXSNAJLSC-INIZCTEOSA-N 1 3 359.518 2.038 20 0 FEADHO CN(C)C[C@H](O)COc1ccc(NC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000415978982 559286723 /nfs/dbraw/zinc/28/67/23/559286723.db2.gz QLSYIIQNOSJBJZ-KRWDZBQOSA-N 1 3 358.442 2.091 20 0 FEADHO [NH3+]Cc1ccc(NC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)cc1 ZINC000415978851 559286774 /nfs/dbraw/zinc/28/67/74/559286774.db2.gz PSDUVIWSIFLYNC-UHFFFAOYSA-N 1 3 368.481 2.424 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(F)(F)F ZINC000415994275 559287727 /nfs/dbraw/zinc/28/77/27/559287727.db2.gz LBEPPCLLPJRMMB-LSDHHAIUSA-N 1 3 358.408 2.230 20 0 FEADHO O=C(Nc1ccc2c(c1)CNC2)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000415996125 559288045 /nfs/dbraw/zinc/28/80/45/559288045.db2.gz MHLRSTCZWCTAPN-OALUTQOASA-N 1 3 358.486 2.179 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000416843521 559334768 /nfs/dbraw/zinc/33/47/68/559334768.db2.gz OUFTVHLWEWBTES-UXHICEINSA-N 1 3 358.530 2.333 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000416851803 559335314 /nfs/dbraw/zinc/33/53/14/559335314.db2.gz RMVHQNPHKDCDMY-WOJBJXKFSA-N 1 3 358.530 2.190 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1cccc(OC)c1 ZINC000416905552 559337556 /nfs/dbraw/zinc/33/75/56/559337556.db2.gz GEVQIEHZARYOGP-SZVBFZGTSA-N 1 3 362.518 2.457 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)NCc1ccccc1CN1CCCCC1)C(F)F ZINC000416910326 559337754 /nfs/dbraw/zinc/33/77/54/559337754.db2.gz ZKWSFYDEBVAHQF-MRXNPFEDSA-N 1 3 354.445 2.454 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N(CC[NH3+])Cc2ccccc2)cc1 ZINC000416969688 559340859 /nfs/dbraw/zinc/34/08/59/559340859.db2.gz LBPPCZWXBPKXHH-UHFFFAOYSA-N 1 3 370.497 2.298 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000416971668 559341008 /nfs/dbraw/zinc/34/10/08/559341008.db2.gz HFEDEJXONJJNSL-JOCHJYFZSA-N 1 3 370.541 2.479 20 0 FEADHO C[C@@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000416970943 559341031 /nfs/dbraw/zinc/34/10/31/559341031.db2.gz FWAFRLRSPNBHBR-YLJYHZDGSA-N 1 3 358.530 2.462 20 0 FEADHO CN(CCNC(=O)N(CC[NH3+])CCc1ccccc1)Cc1ccccc1 ZINC000417234443 559354205 /nfs/dbraw/zinc/35/42/05/559354205.db2.gz VHWOOWTWAFKSMF-UHFFFAOYSA-N 1 3 354.498 2.331 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)NC3CCC([NH3+])CC3)CC2)cc1 ZINC000417333984 559358059 /nfs/dbraw/zinc/35/80/59/559358059.db2.gz QWZVEDVIKADSCK-UHFFFAOYSA-N 1 3 374.529 2.476 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)CC2)cc1 ZINC000417336399 559358323 /nfs/dbraw/zinc/35/83/23/559358323.db2.gz VEJLQOLUBKURAE-OXQOHEQNSA-N 1 3 374.529 2.286 20 0 FEADHO C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@H](N)c1ccccc1 ZINC000417341763 559358394 /nfs/dbraw/zinc/35/83/94/559358394.db2.gz BSRUKZHPSUTEMN-SFHVURJKSA-N 1 3 356.470 2.126 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417367733 559359544 /nfs/dbraw/zinc/35/95/44/559359544.db2.gz PETSTLKHDBMSRM-BBWFWOEESA-N 1 3 362.543 2.496 20 0 FEADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H](C)CN1 ZINC000417368675 559359562 /nfs/dbraw/zinc/35/95/62/559359562.db2.gz QFYABHTWFZRJBS-PMPSAXMXSA-N 1 3 350.532 2.352 20 0 FEADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H](C)CN1 ZINC000417368675 559359563 /nfs/dbraw/zinc/35/95/63/559359563.db2.gz QFYABHTWFZRJBS-PMPSAXMXSA-N 1 3 350.532 2.352 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000417489808 559364248 /nfs/dbraw/zinc/36/42/48/559364248.db2.gz GFBRSBHCGFCVBV-AQNXPRMDSA-N 1 3 374.529 2.089 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000417497827 559364621 /nfs/dbraw/zinc/36/46/21/559364621.db2.gz BRICKHHXDIPEQO-VQTJNVASSA-N 1 3 374.529 2.232 20 0 FEADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417502933 559364984 /nfs/dbraw/zinc/36/49/84/559364984.db2.gz CFLONQLTTKAAPB-APWZRJJASA-N 1 3 362.518 2.081 20 0 FEADHO C[C@@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000417590163 559368289 /nfs/dbraw/zinc/36/82/89/559368289.db2.gz HHZNHJFVRBCUTB-IEBWSBKVSA-N 1 3 374.529 2.349 20 0 FEADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417596994 559368749 /nfs/dbraw/zinc/36/87/49/559368749.db2.gz RSPVDSGKKSXPOS-AEFFLSMTSA-N 1 3 360.502 2.040 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417604140 559369121 /nfs/dbraw/zinc/36/91/21/559369121.db2.gz AWQOQQBWLIYBHI-SJORKVTESA-N 1 3 366.575 2.132 20 0 FEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000417645148 559370045 /nfs/dbraw/zinc/37/00/45/559370045.db2.gz AZPPSKARCUSATP-LJQANCHMSA-N 1 3 356.514 2.436 20 0 FEADHO COc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCCN(C)C ZINC000417652338 559370504 /nfs/dbraw/zinc/37/05/04/559370504.db2.gz PCCOALIXWKBBHS-GOEBONIOSA-N 1 3 364.490 2.240 20 0 FEADHO COc1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCCN(C)C ZINC000417652338 559370505 /nfs/dbraw/zinc/37/05/05/559370505.db2.gz PCCOALIXWKBBHS-GOEBONIOSA-N 1 3 364.490 2.240 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000417670656 559371717 /nfs/dbraw/zinc/37/17/17/559371717.db2.gz OQHRLSMZRFDNNC-OXQOHEQNSA-N 1 3 374.529 2.226 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000417670656 559371718 /nfs/dbraw/zinc/37/17/18/559371718.db2.gz OQHRLSMZRFDNNC-OXQOHEQNSA-N 1 3 374.529 2.226 20 0 FEADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417676161 559371882 /nfs/dbraw/zinc/37/18/82/559371882.db2.gz CUFDMKVPRJNSDJ-MOPGFXCFSA-N 1 3 358.530 2.496 20 0 FEADHO CCc1ccccc1[C@@H](N)CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000417688587 559372481 /nfs/dbraw/zinc/37/24/81/559372481.db2.gz XGNQHYJPEYDTFK-JXFKEZNVSA-N 1 3 374.529 2.049 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000417844169 559378915 /nfs/dbraw/zinc/37/89/15/559378915.db2.gz RCIJYLZORXPYFN-AFYVEPGGSA-N 1 3 356.514 2.433 20 0 FEADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000418162479 559392390 /nfs/dbraw/zinc/39/23/90/559392390.db2.gz UYDOYOHZWYHPSE-RBUKOAKNSA-N 1 3 374.529 2.046 20 0 FEADHO C[C@@H]1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)[C@H](C[NH3+])C1 ZINC000418171093 559392829 /nfs/dbraw/zinc/39/28/29/559392829.db2.gz PNFVOJOPXTZWMC-AEFFLSMTSA-N 1 3 374.529 2.428 20 0 FEADHO C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC1 ZINC000418192840 559393579 /nfs/dbraw/zinc/39/35/79/559393579.db2.gz YYIGPJUSMTVHNN-INIZCTEOSA-N 1 3 374.529 2.428 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@@](C)(C[NH3+])C2)N(C)C)cc1 ZINC000418201508 559393763 /nfs/dbraw/zinc/39/37/63/559393763.db2.gz HTMSWPBDKJWYLU-ICSRJNTNSA-N 1 3 362.518 2.457 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)N(C)C)cc1 ZINC000418210249 559394054 /nfs/dbraw/zinc/39/40/54/559394054.db2.gz SMTUDLQYSOCDML-SNRMKQJTSA-N 1 3 362.518 2.374 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)N(C)C)cc1 ZINC000418233723 559394810 /nfs/dbraw/zinc/39/48/10/559394810.db2.gz OYFWNCPETOKWFF-COXVUDFISA-N 1 3 350.532 2.390 20 0 FEADHO [NH3+]CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000418272753 559396164 /nfs/dbraw/zinc/39/61/64/559396164.db2.gz ASVNRSFMPSPWKF-RBUKOAKNSA-N 1 3 356.445 2.052 20 0 FEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC(OCCC[NH3+])CC2)cc1 ZINC000418343324 559398406 /nfs/dbraw/zinc/39/84/06/559398406.db2.gz FMVQALBCEPGLGI-IBGZPJMESA-N 1 3 362.518 2.349 20 0 FEADHO CC(C)C[C@@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418439136 559401668 /nfs/dbraw/zinc/40/16/68/559401668.db2.gz JQUXOEZRKAWMFD-HNNXBMFYSA-N 1 3 356.461 2.411 20 0 FEADHO COCC1(CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC[NH2+]CC1 ZINC000418502303 559403985 /nfs/dbraw/zinc/40/39/85/559403985.db2.gz UWMWQTGRRMKYDS-IBGZPJMESA-N 1 3 370.497 2.155 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000418561316 559406308 /nfs/dbraw/zinc/40/63/08/559406308.db2.gz ZBJPAXARHYSKTF-FQEVSTJZSA-N 1 3 368.481 2.401 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC000418600453 559407402 /nfs/dbraw/zinc/40/74/02/559407402.db2.gz KVNHRARKTXTOAD-ZFWWWQNUSA-N 1 3 354.445 2.179 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000418615939 559408062 /nfs/dbraw/zinc/40/80/62/559408062.db2.gz HPTRKAFGXVJWKX-IBGZPJMESA-N 1 3 362.518 2.286 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000418631371 559408568 /nfs/dbraw/zinc/40/85/68/559408568.db2.gz AXLDWQGDHIWLPE-MSOLQXFVSA-N 1 3 362.518 2.375 20 0 FEADHO [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418636227 559408898 /nfs/dbraw/zinc/40/88/98/559408898.db2.gz LUOUVQLXERWFDI-FQEVSTJZSA-N 1 3 352.482 2.434 20 0 FEADHO C[C@H]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CCN1Cc1ccccc1 ZINC000418751904 559413932 /nfs/dbraw/zinc/41/39/32/559413932.db2.gz FYKZZXSZIYWBKG-RDJZCZTQSA-N 1 3 366.456 2.290 20 0 FEADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000418756843 559414208 /nfs/dbraw/zinc/41/42/08/559414208.db2.gz YQIKVAZTFHKJDR-MRXNPFEDSA-N 1 3 358.477 2.281 20 0 FEADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000418756843 559414209 /nfs/dbraw/zinc/41/42/09/559414209.db2.gz YQIKVAZTFHKJDR-MRXNPFEDSA-N 1 3 358.477 2.281 20 0 FEADHO CN(C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418783103 559415807 /nfs/dbraw/zinc/41/58/07/559415807.db2.gz FDCAPLLEVVORJV-UAFMIMERSA-N 1 3 356.514 2.290 20 0 FEADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000420312479 559479900 /nfs/dbraw/zinc/47/99/00/559479900.db2.gz HTEJHTVVQKYBKC-SJORKVTESA-N 1 3 355.486 2.155 20 0 FEADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000420312479 559479901 /nfs/dbraw/zinc/47/99/01/559479901.db2.gz HTEJHTVVQKYBKC-SJORKVTESA-N 1 3 355.486 2.155 20 0 FEADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000420312479 559479902 /nfs/dbraw/zinc/47/99/02/559479902.db2.gz HTEJHTVVQKYBKC-SJORKVTESA-N 1 3 355.486 2.155 20 0 FEADHO COc1ccc([C@H](C[NH3+])CN2CCNC[C@@H]2c2ccccc2OC)cc1 ZINC000420318457 559480063 /nfs/dbraw/zinc/48/00/63/559480063.db2.gz WEPKMIYZOQXCEM-YLJYHZDGSA-N 1 3 355.482 2.393 20 0 FEADHO CC(C)Oc1cccc(CNC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420325488 559480497 /nfs/dbraw/zinc/48/04/97/559480497.db2.gz IMXTYWFSZUHQIN-OALUTQOASA-N 1 3 359.514 2.412 20 0 FEADHO COC(=O)c1cc2cc(CN3C[C@@H](C[NH3+])C4(C3)CCOCC4)ccc2o1 ZINC000420331596 559481290 /nfs/dbraw/zinc/48/12/90/559481290.db2.gz RAKGONCGNPLNNK-MRXNPFEDSA-N 1 3 358.438 2.407 20 0 FEADHO CCOCc1ccccc1CNC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333943 559481391 /nfs/dbraw/zinc/48/13/91/559481391.db2.gz TYLAOBKOUHKZQV-RBUKOAKNSA-N 1 3 359.514 2.161 20 0 FEADHO COc1ccc2c(c1)CCCN2C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346787 559482321 /nfs/dbraw/zinc/48/23/21/559482321.db2.gz ZBFATKOXSSBDTM-QZTJIDSGSA-N 1 3 357.498 2.296 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3cccc(C(=O)OC)c3)CC2)CC1 ZINC000420984927 559517440 /nfs/dbraw/zinc/51/74/40/559517440.db2.gz VKGNTZPOUCWSAU-UHFFFAOYSA-N 1 3 359.514 2.465 20 0 FEADHO CCCN(CCC)C(=O)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000421006436 559518944 /nfs/dbraw/zinc/51/89/44/559518944.db2.gz JYJJZRNFNUKHRM-UHFFFAOYSA-N 1 3 352.567 2.127 20 0 FEADHO CCCN(CCC)C(=O)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000421006436 559518945 /nfs/dbraw/zinc/51/89/45/559518945.db2.gz JYJJZRNFNUKHRM-UHFFFAOYSA-N 1 3 352.567 2.127 20 0 FEADHO CCCCN(CC)C(=O)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000421015663 559519801 /nfs/dbraw/zinc/51/98/01/559519801.db2.gz UCYROCCEWBVBPC-UHFFFAOYSA-N 1 3 352.567 2.127 20 0 FEADHO CCCCN(CC)C(=O)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000421015663 559519802 /nfs/dbraw/zinc/51/98/02/559519802.db2.gz UCYROCCEWBVBPC-UHFFFAOYSA-N 1 3 352.567 2.127 20 0 FEADHO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000421828008 559554802 /nfs/dbraw/zinc/55/48/02/559554802.db2.gz AMXBGLZDIPODGY-MRXNPFEDSA-N 1 3 371.928 2.390 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000422600271 559597207 /nfs/dbraw/zinc/59/72/07/559597207.db2.gz SNUCJMHFGBPMIW-LJQANCHMSA-N 1 3 374.529 2.234 20 0 FEADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000422633003 559598940 /nfs/dbraw/zinc/59/89/40/559598940.db2.gz HRACYGOZTDXADE-AGIUHOORSA-N 1 3 366.893 2.073 20 0 FEADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C[C@@H]1CN ZINC000422633003 559598941 /nfs/dbraw/zinc/59/89/41/559598941.db2.gz HRACYGOZTDXADE-AGIUHOORSA-N 1 3 366.893 2.073 20 0 FEADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C[C@@H]1CN ZINC000422633003 559598942 /nfs/dbraw/zinc/59/89/42/559598942.db2.gz HRACYGOZTDXADE-AGIUHOORSA-N 1 3 366.893 2.073 20 0 FEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000422772125 559606137 /nfs/dbraw/zinc/60/61/37/559606137.db2.gz YSYMQBODFMQENL-VAMGGRTRSA-N 1 3 359.562 2.493 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2cn3cc(Cl)ccc3n2)CC[NH2+]CC1 ZINC000422818158 559607321 /nfs/dbraw/zinc/60/73/21/559607321.db2.gz JKHDAZDETTWJIZ-CYBMUJFWSA-N 1 3 364.877 2.399 20 0 FEADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000422839043 559608153 /nfs/dbraw/zinc/60/81/53/559608153.db2.gz PPIZHPCNURZDEG-FXAWDEMLSA-N 1 3 374.573 2.161 20 0 FEADHO CN1CCN(c2cc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)ccn2)CC1 ZINC000422879344 559609654 /nfs/dbraw/zinc/60/96/54/559609654.db2.gz KGQNWFVHXBGKPT-VAMGGRTRSA-N 1 3 357.546 2.234 20 0 FEADHO CCOC(=O)C1([C@H](C)NCC(=O)Nc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422913207 559611229 /nfs/dbraw/zinc/61/12/29/559611229.db2.gz PKEMMSIORUZQAY-ZDUSSCGKSA-N 1 3 367.877 2.190 20 0 FEADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)CC2)cs1 ZINC000422912419 559611250 /nfs/dbraw/zinc/61/12/50/559611250.db2.gz NBVGFDUVLSQHBV-ZTFGCOKTSA-N 1 3 366.575 2.259 20 0 FEADHO C[C@H]1CC[NH2+]CC[C@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000422952352 559612604 /nfs/dbraw/zinc/61/26/04/559612604.db2.gz AQCABWQDQFUJIW-SWLSCSKDSA-N 1 3 354.292 2.157 20 0 FEADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000422965688 559613289 /nfs/dbraw/zinc/61/32/89/559613289.db2.gz PKFHUQOBDCDUPU-XGARDCMYSA-N 1 3 353.510 2.170 20 0 FEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000422965688 559613290 /nfs/dbraw/zinc/61/32/90/559613290.db2.gz PKFHUQOBDCDUPU-XGARDCMYSA-N 1 3 353.510 2.170 20 0 FEADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(Br)cc1 ZINC000423078567 559617792 /nfs/dbraw/zinc/61/77/92/559617792.db2.gz WFJRAQLIKDLKTQ-KTFSGNIMSA-N 1 3 353.304 2.473 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2ccncc2OCC(F)F)CC[NH2+]CC1 ZINC000423111393 559619605 /nfs/dbraw/zinc/61/96/05/559619605.db2.gz WMTBVAIAPVBLKP-CYBMUJFWSA-N 1 3 371.428 2.137 20 0 FEADHO Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423112260 559619720 /nfs/dbraw/zinc/61/97/20/559619720.db2.gz RXGDAOURKPXHHH-DZGCQCFKSA-N 1 3 359.923 2.034 20 0 FEADHO COc1ccc([C@@H](C)NCCCN2CC[NH2+]CC2)c(Br)c1 ZINC000423175689 559622004 /nfs/dbraw/zinc/62/20/04/559622004.db2.gz ASLXZGFRHRIYTI-CYBMUJFWSA-N 1 3 356.308 2.404 20 0 FEADHO C[NH2+]CCc1ccccc1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000423327820 559625689 /nfs/dbraw/zinc/62/56/89/559625689.db2.gz KEVRBALRJCGZMZ-UHFFFAOYSA-N 1 3 355.482 2.319 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3CCC[NH2+][C@H]3C)CC2)cc1 ZINC000423365913 559626879 /nfs/dbraw/zinc/62/68/79/559626879.db2.gz WXCANFZXCRVEGD-OXJNMPFZSA-N 1 3 359.514 2.412 20 0 FEADHO FC(F)(F)[C@@H](CN[C@@H]1CSCCc2ccccc21)N1CC[NH2+]CC1 ZINC000423375139 559627132 /nfs/dbraw/zinc/62/71/32/559627132.db2.gz CVIXIZMPZYFIHW-HZPDHXFCSA-N 1 3 359.461 2.443 20 0 FEADHO CC[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000423380704 559627353 /nfs/dbraw/zinc/62/73/53/559627353.db2.gz HNPKDUALUGLLNX-RHSMWYFYSA-N 1 3 373.419 2.335 20 0 FEADHO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000423383348 559627398 /nfs/dbraw/zinc/62/73/98/559627398.db2.gz POVXIQWFQBLIKS-IBGZPJMESA-N 1 3 359.514 2.038 20 0 FEADHO CC[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C(=O)OC)cc1 ZINC000423393642 559627679 /nfs/dbraw/zinc/62/76/79/559627679.db2.gz PKRWRPCBYPXTSE-CVEARBPZSA-N 1 3 373.419 2.350 20 0 FEADHO COCC1(CN[C@H](C)c2nnn(-c3ccc(F)cc3)c2C)CC[NH2+]CC1 ZINC000423398014 559627842 /nfs/dbraw/zinc/62/78/42/559627842.db2.gz CRSFNHPZCWFYNS-CQSZACIVSA-N 1 3 361.465 2.382 20 0 FEADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000423469881 559629888 /nfs/dbraw/zinc/62/98/88/559629888.db2.gz LBAZFGPHRZRPMU-PPQDBTBKSA-N 1 3 361.505 2.266 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423636304 559634628 /nfs/dbraw/zinc/63/46/28/559634628.db2.gz GAHNXCOCLHBEHD-SFHVURJKSA-N 1 3 373.476 2.151 20 0 FEADHO CO[C@H](C[NH3+])CC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423748783 559638055 /nfs/dbraw/zinc/63/80/55/559638055.db2.gz BGCBYPBOPWOOGJ-KRWDZBQOSA-N 1 3 353.894 2.128 20 0 FEADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)C2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000423905859 559644994 /nfs/dbraw/zinc/64/49/94/559644994.db2.gz PSAQIKHNCCYUOT-POAQFYNOSA-N 1 3 359.514 2.157 20 0 FEADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000423905859 559644995 /nfs/dbraw/zinc/64/49/95/559644995.db2.gz PSAQIKHNCCYUOT-POAQFYNOSA-N 1 3 359.514 2.157 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000424428389 559664228 /nfs/dbraw/zinc/66/42/28/559664228.db2.gz SPNXKZHKRNYOOE-UHFFFAOYSA-N 1 3 373.545 2.335 20 0 FEADHO COC(=O)[C@H](CC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000425413842 559701052 /nfs/dbraw/zinc/70/10/52/559701052.db2.gz CAIRLBQDZFKSFC-CEWLAPEOSA-N 1 3 373.541 2.291 20 0 FEADHO COC(=O)[C@H](CC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000425413842 559701053 /nfs/dbraw/zinc/70/10/53/559701053.db2.gz CAIRLBQDZFKSFC-CEWLAPEOSA-N 1 3 373.541 2.291 20 0 FEADHO COC(=O)[C@H](CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000425413842 559701054 /nfs/dbraw/zinc/70/10/54/559701054.db2.gz CAIRLBQDZFKSFC-CEWLAPEOSA-N 1 3 373.541 2.291 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CCN1Cc1ccccc1 ZINC000425771562 559718774 /nfs/dbraw/zinc/71/87/74/559718774.db2.gz UADOAUFZVOYXOT-BTHPGYMESA-N 1 3 356.514 2.385 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CCN1Cc1ccccc1 ZINC000425771562 559718775 /nfs/dbraw/zinc/71/87/75/559718775.db2.gz UADOAUFZVOYXOT-BTHPGYMESA-N 1 3 356.514 2.385 20 0 FEADHO CCN1CCN(Cc2ccc(CNC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000427276769 559752089 /nfs/dbraw/zinc/75/20/89/559752089.db2.gz XYRCTEOIGBMMBP-LJQANCHMSA-N 1 3 372.557 2.220 20 0 FEADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000429531832 559800554 /nfs/dbraw/zinc/80/05/54/559800554.db2.gz WTZFDWQRYWCRJI-AWEZNQCLSA-N 1 3 366.893 2.184 20 0 FEADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000429531832 559800555 /nfs/dbraw/zinc/80/05/55/559800555.db2.gz WTZFDWQRYWCRJI-AWEZNQCLSA-N 1 3 366.893 2.184 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnnn1Cc1ccccc1 ZINC000430066199 559812321 /nfs/dbraw/zinc/81/23/21/559812321.db2.gz LIHJUDQMGWOIRR-FQEVSTJZSA-N 1 3 370.545 2.174 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnnn1Cc1ccccc1 ZINC000430066199 559812322 /nfs/dbraw/zinc/81/23/22/559812322.db2.gz LIHJUDQMGWOIRR-FQEVSTJZSA-N 1 3 370.545 2.174 20 0 FEADHO C[C@@H](CC(=O)NCCc1ccc(OCCN(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000430913085 559830129 /nfs/dbraw/zinc/83/01/29/559830129.db2.gz RJXVVKQECAKDOS-HKUYNNGSSA-N 1 3 361.530 2.312 20 0 FEADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000430931925 559830665 /nfs/dbraw/zinc/83/06/65/559830665.db2.gz XRUACFWMALVQNR-HNNXBMFYSA-N 1 3 367.921 2.497 20 0 FEADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000430941079 559830910 /nfs/dbraw/zinc/83/09/10/559830910.db2.gz UAVPUUUQPAJTQM-MAUKXSAKSA-N 1 3 373.497 2.181 20 0 FEADHO CN(CCCOc1ccc(F)cc1)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431016416 559832425 /nfs/dbraw/zinc/83/24/25/559832425.db2.gz JNIMYVRNLXXVGT-UHFFFAOYSA-N 1 3 363.477 2.129 20 0 FEADHO [NH3+]C1CCN(CCCC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000433131930 559872840 /nfs/dbraw/zinc/87/28/40/559872840.db2.gz ATUNDSRHJSIQKI-QGZVFWFLSA-N 1 3 364.559 2.205 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433278017 559875459 /nfs/dbraw/zinc/87/54/59/559875459.db2.gz DEGXXRMXJPFMNQ-RBUKOAKNSA-N 1 3 368.566 2.441 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433278017 559875460 /nfs/dbraw/zinc/87/54/60/559875460.db2.gz DEGXXRMXJPFMNQ-RBUKOAKNSA-N 1 3 368.566 2.441 20 0 FEADHO C[C@H](CNC(=O)NCCCN1CCCO[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000433283470 559875763 /nfs/dbraw/zinc/87/57/63/559875763.db2.gz CEMGTOGXPZGAQF-RCCFBDPRSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@H](CNC(=O)NCCCN1CCCO[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000433283470 559875764 /nfs/dbraw/zinc/87/57/64/559875764.db2.gz CEMGTOGXPZGAQF-RCCFBDPRSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H]1CCC[C@@](CNC(=O)NCCCN2CCCO[C@H](C)C2)([NH+](C)C)C1 ZINC000433333878 559877253 /nfs/dbraw/zinc/87/72/53/559877253.db2.gz ISSXWWWXUGMYQP-QWFCFKBJSA-N 1 3 368.566 2.297 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000433343351 559877633 /nfs/dbraw/zinc/87/76/33/559877633.db2.gz ZBSOPTMEFHEWAJ-QGZVFWFLSA-N 1 3 354.539 2.051 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433407556 559880384 /nfs/dbraw/zinc/88/03/84/559880384.db2.gz XYBYVDKVSQBHNQ-MOPGFXCFSA-N 1 3 368.566 2.297 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433407556 559880385 /nfs/dbraw/zinc/88/03/85/559880385.db2.gz XYBYVDKVSQBHNQ-MOPGFXCFSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@@H]3CSCCN3)cc2)C1 ZINC000434888520 559911787 /nfs/dbraw/zinc/91/17/87/559911787.db2.gz TWIHUGFJCAIBNG-NVXWUHKLSA-N 1 3 363.527 2.441 20 0 FEADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H]3CSCCN3)cc2)C1 ZINC000434888520 559911788 /nfs/dbraw/zinc/91/17/88/559911788.db2.gz TWIHUGFJCAIBNG-NVXWUHKLSA-N 1 3 363.527 2.441 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(CCN(C)C)C(C)C)[C@H](C)C1 ZINC000440247418 560007493 /nfs/dbraw/zinc/00/74/93/560007493.db2.gz ZRUWDHMYYKQEQW-QZTJIDSGSA-N 1 3 356.555 2.105 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)N(CCN(C)C)C(C)C)[C@H](C)C1 ZINC000440247418 560007494 /nfs/dbraw/zinc/00/74/94/560007494.db2.gz ZRUWDHMYYKQEQW-QZTJIDSGSA-N 1 3 356.555 2.105 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000441312689 560028570 /nfs/dbraw/zinc/02/85/70/560028570.db2.gz QJUVXVACSHCWAU-SJORKVTESA-N 1 3 366.550 2.144 20 0 FEADHO COc1ccc(COC[C@@H](O)CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000555889430 674380105 /nfs/dbraw/zinc/38/01/05/674380105.db2.gz TVWARLSCGKHAMS-KRWDZBQOSA-N 1 3 350.503 2.472 20 0 FEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCCOc2ccc(C(F)(F)F)cc2)C1 ZINC000443055315 560068130 /nfs/dbraw/zinc/06/81/30/560068130.db2.gz BFFARNURCZRIDK-AWEZNQCLSA-N 1 3 373.419 2.261 20 0 FEADHO CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443068390 560069016 /nfs/dbraw/zinc/06/90/16/560069016.db2.gz HYVQBYLZEIDHIB-MRXNPFEDSA-N 1 3 363.502 2.113 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1(C)C ZINC000444182071 560104578 /nfs/dbraw/zinc/10/45/78/560104578.db2.gz LBKICCUPPCOJPK-XLIONFOSSA-N 1 3 351.535 2.290 20 0 FEADHO COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000447949461 560174577 /nfs/dbraw/zinc/17/45/77/560174577.db2.gz YFNCAEHALJOJNV-QGZVFWFLSA-N 1 3 368.566 2.295 20 0 FEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000448255161 560181570 /nfs/dbraw/zinc/18/15/70/560181570.db2.gz IDIIYIMUGZYVPD-QZTJIDSGSA-N 1 3 350.551 2.480 20 0 FEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000448255161 560181572 /nfs/dbraw/zinc/18/15/72/560181572.db2.gz IDIIYIMUGZYVPD-QZTJIDSGSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)COC1CCC([NH3+])CC1 ZINC000449134759 560217462 /nfs/dbraw/zinc/21/74/62/560217462.db2.gz LGSVAXAPYLDBQE-QHGAOEGBSA-N 1 3 359.514 2.396 20 0 FEADHO OCCCN1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000449385958 560228113 /nfs/dbraw/zinc/22/81/13/560228113.db2.gz GXAVRIHXZXWNEF-DXBBTUNJSA-N 1 3 357.542 2.333 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCN2CCCO)CC1 ZINC000449389741 560228343 /nfs/dbraw/zinc/22/83/43/560228343.db2.gz TXQYUPRZFPOWNS-NRFANRHFSA-N 1 3 374.573 2.155 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN2CCN(C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000451891050 560334994 /nfs/dbraw/zinc/33/49/94/560334994.db2.gz NQFHGMKYBOWYTO-UHFFFAOYSA-N 1 3 366.594 2.419 20 0 FEADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCCN1CCCO ZINC000452359022 560360207 /nfs/dbraw/zinc/36/02/07/560360207.db2.gz HBCJDOSGIIATQD-HNNXBMFYSA-N 1 3 359.470 2.071 20 0 FEADHO CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453627900 560391882 /nfs/dbraw/zinc/39/18/82/560391882.db2.gz VYZATHLMSXKKRF-MJGOQNOKSA-N 1 3 374.529 2.267 20 0 FEADHO CN1CC[C@@H]2CN(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)C[C@@H]21 ZINC000454264202 560437047 /nfs/dbraw/zinc/43/70/47/560437047.db2.gz LFAVMGNYSOPCLF-QUCCMNQESA-N 1 3 356.514 2.039 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454624785 560451698 /nfs/dbraw/zinc/45/16/98/560451698.db2.gz SMZHAVVRBCBQQB-BTHPGYMESA-N 1 3 356.514 2.243 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454624785 560451699 /nfs/dbraw/zinc/45/16/99/560451699.db2.gz SMZHAVVRBCBQQB-BTHPGYMESA-N 1 3 356.514 2.243 20 0 FEADHO COCCN1CCC(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455910807 560499938 /nfs/dbraw/zinc/49/99/38/560499938.db2.gz IRDFOTVLJGXIHT-IBGZPJMESA-N 1 3 360.502 2.468 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458119185 560603987 /nfs/dbraw/zinc/60/39/87/560603987.db2.gz WEXAJYYYKRRYAB-KRWDZBQOSA-N 1 3 362.518 2.158 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458119185 560603989 /nfs/dbraw/zinc/60/39/89/560603989.db2.gz WEXAJYYYKRRYAB-KRWDZBQOSA-N 1 3 362.518 2.158 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000458591094 560634411 /nfs/dbraw/zinc/63/44/11/560634411.db2.gz XXOUSAXHHSIBGS-ICSRJNTNSA-N 1 3 350.551 2.482 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000458591094 560634412 /nfs/dbraw/zinc/63/44/12/560634412.db2.gz XXOUSAXHHSIBGS-ICSRJNTNSA-N 1 3 350.551 2.482 20 0 FEADHO CN(CCNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000460212079 560738112 /nfs/dbraw/zinc/73/81/12/560738112.db2.gz ANTCSVSCIMWOTJ-MOPGFXCFSA-N 1 3 356.514 2.244 20 0 FEADHO CN(CCNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000460212079 560738113 /nfs/dbraw/zinc/73/81/13/560738113.db2.gz ANTCSVSCIMWOTJ-MOPGFXCFSA-N 1 3 356.514 2.244 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NCC[N@H+]2CC=C(C)CC2)N(C)C)c1 ZINC000460225676 560738379 /nfs/dbraw/zinc/73/83/79/560738379.db2.gz AVYAXKYVAHSITM-LJQANCHMSA-N 1 3 360.502 2.249 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NCC[N@@H+]2CC=C(C)CC2)N(C)C)c1 ZINC000460225676 560738380 /nfs/dbraw/zinc/73/83/80/560738380.db2.gz AVYAXKYVAHSITM-LJQANCHMSA-N 1 3 360.502 2.249 20 0 FEADHO CCC[NH+]1CCC(NC[C@H](CO)Cc2cc(OC)cc(OC)c2)CC1 ZINC000462113850 560798010 /nfs/dbraw/zinc/79/80/10/560798010.db2.gz YCUHCNXCFVSPHK-QGZVFWFLSA-N 1 3 350.503 2.319 20 0 FEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465541063 560867793 /nfs/dbraw/zinc/86/77/93/560867793.db2.gz JCXOSHZXNHFKRH-QGZVFWFLSA-N 1 3 358.530 2.259 20 0 FEADHO C[C@@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)C[NH+]1CCCC1 ZINC000465636166 560870307 /nfs/dbraw/zinc/87/03/07/560870307.db2.gz KUZJOZRHKHIWIO-KRWDZBQOSA-N 1 3 358.530 2.117 20 0 FEADHO Cc1nc(C)c(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000465822892 560873294 /nfs/dbraw/zinc/87/32/94/560873294.db2.gz ZZNMGUUFLBTJQN-UHFFFAOYSA-N 1 3 365.547 2.118 20 0 FEADHO CC[NH+]1CCC(CCNC(=O)NCC(C)(C)N2CCC(OC)CC2)CC1 ZINC000465905547 560875473 /nfs/dbraw/zinc/87/54/73/560875473.db2.gz PVXNEPYQTQRSBU-UHFFFAOYSA-N 1 3 368.566 2.297 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1Cc2ccccc2C1 ZINC000466009344 560878130 /nfs/dbraw/zinc/87/81/30/560878130.db2.gz QRMHSBKKLHVACJ-NRFANRHFSA-N 1 3 372.557 2.459 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1Cc2ccccc2C1 ZINC000466009344 560878131 /nfs/dbraw/zinc/87/81/31/560878131.db2.gz QRMHSBKKLHVACJ-NRFANRHFSA-N 1 3 372.557 2.459 20 0 FEADHO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000467290754 560907943 /nfs/dbraw/zinc/90/79/43/560907943.db2.gz JPWPXWPYUQNEII-BZSNNMDCSA-N 1 3 367.534 2.125 20 0 FEADHO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000467290754 560907944 /nfs/dbraw/zinc/90/79/44/560907944.db2.gz JPWPXWPYUQNEII-BZSNNMDCSA-N 1 3 367.534 2.125 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1ccnc1C(C)C ZINC000469038407 560945491 /nfs/dbraw/zinc/94/54/91/560945491.db2.gz MVVMJLIPVVTNLF-SFHVURJKSA-N 1 3 363.550 2.271 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1ccnc1C(C)C ZINC000469038407 560945492 /nfs/dbraw/zinc/94/54/92/560945492.db2.gz MVVMJLIPVVTNLF-SFHVURJKSA-N 1 3 363.550 2.271 20 0 FEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000470542982 560984222 /nfs/dbraw/zinc/98/42/22/560984222.db2.gz SFJWXSOFVIWPGU-HDICACEKSA-N 1 3 374.529 2.124 20 0 FEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000470542982 560984223 /nfs/dbraw/zinc/98/42/23/560984223.db2.gz SFJWXSOFVIWPGU-HDICACEKSA-N 1 3 374.529 2.124 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000472049664 561016793 /nfs/dbraw/zinc/01/67/93/561016793.db2.gz XLECUXLJXOWPBO-ROPHOZQPSA-N 1 3 368.525 2.243 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000472049664 561016794 /nfs/dbraw/zinc/01/67/94/561016794.db2.gz XLECUXLJXOWPBO-ROPHOZQPSA-N 1 3 368.525 2.243 20 0 FEADHO CN1CCCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000472449090 561026702 /nfs/dbraw/zinc/02/67/02/561026702.db2.gz PIFGERCUNRYHCB-UHFFFAOYSA-N 1 3 362.440 2.139 20 0 FEADHO C[C@H]([NH2+][C@H]1CCC[C@]1(C)CO)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000472610482 561030928 /nfs/dbraw/zinc/03/09/28/561030928.db2.gz NJEVAHVEIMGXLX-RBDMOPTHSA-N 1 3 373.541 2.296 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000472981547 561039360 /nfs/dbraw/zinc/03/93/60/561039360.db2.gz WXGSBJMCFIYJGP-ROUUACIJSA-N 1 3 354.539 2.003 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474289949 561070316 /nfs/dbraw/zinc/07/03/16/561070316.db2.gz COPKDLWIXVFTQC-OAQYLSRUSA-N 1 3 351.494 2.278 20 0 FEADHO CO[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000528315861 562322250 /nfs/dbraw/zinc/32/22/50/562322250.db2.gz NMQDUIFBNHKWAN-IBGZPJMESA-N 1 3 363.477 2.188 20 0 FEADHO COc1ccc([C@H](CNC(=O)N2CCNC[C@H]2C(C)C)[NH+]2CCCC2)cc1 ZINC000529285637 562367302 /nfs/dbraw/zinc/36/73/02/562367302.db2.gz XRWASTMMUXEDDO-PMACEKPBSA-N 1 3 374.529 2.472 20 0 FEADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000529353309 562370693 /nfs/dbraw/zinc/37/06/93/562370693.db2.gz WMQJVMPRXOCBSP-VAMGGRTRSA-N 1 3 368.525 2.435 20 0 FEADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000530754880 562422933 /nfs/dbraw/zinc/42/29/33/562422933.db2.gz WOCMJHCSTBBIDA-BXWFABGCSA-N 1 3 362.518 2.074 20 0 FEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530815822 562424765 /nfs/dbraw/zinc/42/47/65/562424765.db2.gz PQAZLZACPYOYLI-UEXGIBASSA-N 1 3 359.514 2.003 20 0 FEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530815822 562424766 /nfs/dbraw/zinc/42/47/66/562424766.db2.gz PQAZLZACPYOYLI-UEXGIBASSA-N 1 3 359.514 2.003 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](CCOC[C@@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000530939627 562429205 /nfs/dbraw/zinc/42/92/05/562429205.db2.gz IFRZIMMNQDZQSM-GGPKGHCWSA-N 1 3 354.535 2.393 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](CCOC[C@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000530939630 562429245 /nfs/dbraw/zinc/42/92/45/562429245.db2.gz IFRZIMMNQDZQSM-WSTZPKSXSA-N 1 3 354.535 2.393 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000530992810 562431133 /nfs/dbraw/zinc/43/11/33/562431133.db2.gz SJGDAFZKCWHDKW-GJZGRUSLSA-N 1 3 366.472 2.490 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000531718017 562454643 /nfs/dbraw/zinc/45/46/43/562454643.db2.gz NEGVQFGZXITAMY-QWFCFKBJSA-N 1 3 364.578 2.029 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000531718017 562454644 /nfs/dbraw/zinc/45/46/44/562454644.db2.gz NEGVQFGZXITAMY-QWFCFKBJSA-N 1 3 364.578 2.029 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)NCCNc1cc[nH+]cc1)c1ccsc1 ZINC000533812070 562518841 /nfs/dbraw/zinc/51/88/41/562518841.db2.gz NGMNGRRFZGZXSV-KRWDZBQOSA-N 1 3 361.515 2.359 20 0 FEADHO c1cc(N2CCN(CCC[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)ccn1 ZINC000534064446 562524586 /nfs/dbraw/zinc/52/45/86/562524586.db2.gz LMOQBZVREBRUFT-XUVXKRRUSA-N 1 3 356.514 2.141 20 0 FEADHO C[C@H](C(=O)NCCNc1cc[nH+]cc1)N1CCC(Cc2ccccc2)CC1 ZINC000534524824 562535981 /nfs/dbraw/zinc/53/59/81/562535981.db2.gz CFENYAMZDMKXOD-GOSISDBHSA-N 1 3 366.509 2.375 20 0 FEADHO O=C(NCCNc1cc[nH+]cc1)NCC1CCN(Cc2cccs2)CC1 ZINC000534524159 562535986 /nfs/dbraw/zinc/53/59/86/562535986.db2.gz HWEOVMZKLOWLTL-UHFFFAOYSA-N 1 3 373.526 2.188 20 0 FEADHO COCCN1CCC(Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)CC1 ZINC000540789471 562593161 /nfs/dbraw/zinc/59/31/61/562593161.db2.gz RVYPIZWQESZQHD-UHFFFAOYSA-N 1 3 361.534 2.135 20 0 FEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000540891264 562595829 /nfs/dbraw/zinc/59/58/29/562595829.db2.gz PMHFOXXESWDCFI-FXAWDEMLSA-N 1 3 358.530 2.482 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)NC[C@H](CC)[NH+]2CCCC2)CC1 ZINC000541209282 562605979 /nfs/dbraw/zinc/60/59/79/562605979.db2.gz HVQVMQQZVKTRBH-WMZOPIPTSA-N 1 3 367.534 2.031 20 0 FEADHO CC(=O)Nc1ccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000541913636 562623231 /nfs/dbraw/zinc/62/32/31/562623231.db2.gz SCYPVMPGCFYBSS-OAHLLOKOSA-N 1 3 360.502 2.238 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000806595309 674382483 /nfs/dbraw/zinc/38/24/83/674382483.db2.gz ULFDXPGTDQKZQO-DLBZAZTESA-N 1 3 352.523 2.377 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000806595309 674382484 /nfs/dbraw/zinc/38/24/84/674382484.db2.gz ULFDXPGTDQKZQO-DLBZAZTESA-N 1 3 352.523 2.377 20 0 FEADHO COC(=O)c1cc(CNCC2CC[NH+](Cc3ccc(OC)cc3)CC2)on1 ZINC000602535075 567992160 /nfs/dbraw/zinc/99/21/60/567992160.db2.gz XJXJGUSCUZFXDF-UHFFFAOYSA-N 1 3 373.453 2.472 20 0 FEADHO COC(=O)[C@](C)(O)CN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602865502 568008102 /nfs/dbraw/zinc/00/81/02/568008102.db2.gz VYWFRVNLFPFNGU-HXUWFJFHSA-N 1 3 360.498 2.289 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2)CC1 ZINC000603812780 568144492 /nfs/dbraw/zinc/14/44/92/568144492.db2.gz LBYFHZWCEARMMC-GOSISDBHSA-N 1 3 358.530 2.241 20 0 FEADHO COCCN(C)CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604188807 568223173 /nfs/dbraw/zinc/22/31/73/568223173.db2.gz LLJPMTJDFBXCCD-LJQANCHMSA-N 1 3 362.518 2.091 20 0 FEADHO CC[NH+](CC)C[C@H](C)NC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000431139305 568278541 /nfs/dbraw/zinc/27/85/41/568278541.db2.gz OERXSHDDUVHVAR-HNNXBMFYSA-N 1 3 350.511 2.310 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000736266105 599484047 /nfs/dbraw/zinc/48/40/47/599484047.db2.gz FKMZOLVXEHNPAG-OAHLLOKOSA-N 1 3 368.489 2.259 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000736266105 599484049 /nfs/dbraw/zinc/48/40/49/599484049.db2.gz FKMZOLVXEHNPAG-OAHLLOKOSA-N 1 3 368.489 2.259 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000736266105 599484050 /nfs/dbraw/zinc/48/40/50/599484050.db2.gz FKMZOLVXEHNPAG-OAHLLOKOSA-N 1 3 368.489 2.259 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000736266105 599484052 /nfs/dbraw/zinc/48/40/52/599484052.db2.gz FKMZOLVXEHNPAG-OAHLLOKOSA-N 1 3 368.489 2.259 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCOC(C)(C)C3)CC2)CC1 ZINC000561314794 674655595 /nfs/dbraw/zinc/65/55/95/674655595.db2.gz CIMQYDDOXYQNGZ-KRWDZBQOSA-N 1 3 351.535 2.257 20 0 FEADHO COc1cccc2c1CCC[C@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000570792720 670770163 /nfs/dbraw/zinc/77/01/63/670770163.db2.gz JSQRNYRVPLYALL-WBVHZDCISA-N 1 3 357.420 2.498 20 0 FEADHO CCc1oc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1C(=O)OC ZINC000572205800 670972828 /nfs/dbraw/zinc/97/28/28/670972828.db2.gz ZXLOJKZXIMCDFK-UHFFFAOYSA-N 1 3 351.491 2.086 20 0 FEADHO C[C@@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)CN1CCN(C)CC1 ZINC000574199709 671214050 /nfs/dbraw/zinc/21/40/50/671214050.db2.gz AWMYEBGRAGOZKV-PKOBYXMFSA-N 1 3 352.567 2.064 20 0 FEADHO CC[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)CCO2 ZINC000817973800 675188659 /nfs/dbraw/zinc/18/86/59/675188659.db2.gz WRLGLOVTJLYTGI-RDJZCZTQSA-N 1 3 357.420 2.498 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCC[C@H]3OC)CC2)CC1 ZINC000578451698 671666705 /nfs/dbraw/zinc/66/67/05/671666705.db2.gz MANVGIQOLKQBDW-IEBWSBKVSA-N 1 3 351.535 2.114 20 0 FEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000578927386 671699086 /nfs/dbraw/zinc/69/90/86/671699086.db2.gz BYVFKHKVDNGSLD-MRXNPFEDSA-N 1 3 356.580 2.376 20 0 FEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000578927386 671699089 /nfs/dbraw/zinc/69/90/89/671699089.db2.gz BYVFKHKVDNGSLD-MRXNPFEDSA-N 1 3 356.580 2.376 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)O[C@H](C)[C@H]3C)CC2)CC1 ZINC000579492084 671740047 /nfs/dbraw/zinc/74/00/47/671740047.db2.gz UZSWOPDMYCBVDW-GVDBMIGSSA-N 1 3 351.535 2.207 20 0 FEADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000580312732 671797021 /nfs/dbraw/zinc/79/70/21/671797021.db2.gz XPFZZUFEBIRTNW-HUUCEWRRSA-N 1 3 354.397 2.476 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000164014704 672311647 /nfs/dbraw/zinc/31/16/47/672311647.db2.gz DHCBRXNLVLKTSU-NVXWUHKLSA-N 1 3 355.523 2.332 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Br)cc1OC ZINC000186861699 672557316 /nfs/dbraw/zinc/55/73/16/672557316.db2.gz VSWWWPAZTJDTOL-CQSZACIVSA-N 1 3 369.307 2.346 20 0 FEADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000414924804 673182889 /nfs/dbraw/zinc/18/28/89/673182889.db2.gz KXHCQXBYASVAJK-SJORKVTESA-N 1 3 367.921 2.411 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](O)COc1ccccc1Br ZINC000537956935 673415028 /nfs/dbraw/zinc/41/50/28/673415028.db2.gz LGHYGSMZCOEXOE-UMVBOHGHSA-N 1 3 357.292 2.119 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](O)COc1ccccc1Br ZINC000537956935 673415031 /nfs/dbraw/zinc/41/50/31/673415031.db2.gz LGHYGSMZCOEXOE-UMVBOHGHSA-N 1 3 357.292 2.119 20 0 FEADHO CC(=O)Nc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1Cl ZINC000824819975 675623105 /nfs/dbraw/zinc/62/31/05/675623105.db2.gz SOTFOBWFCQBXIN-ZDUSSCGKSA-N 1 3 368.909 2.300 20 0 FEADHO CC(=O)Nc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1Cl ZINC000824819975 675623106 /nfs/dbraw/zinc/62/31/06/675623106.db2.gz SOTFOBWFCQBXIN-ZDUSSCGKSA-N 1 3 368.909 2.300 20 0 FEADHO Cc1cc([C@H](N)CC(=O)NC2CC[NH+](CC3CC3)CC2)cc(Cl)n1 ZINC000827376609 675751954 /nfs/dbraw/zinc/75/19/54/675751954.db2.gz WLFXUNORQFINTE-MRXNPFEDSA-N 1 3 350.894 2.424 20 0 FEADHO CCC[NH+](CCC)CCCC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000827456552 675757304 /nfs/dbraw/zinc/75/73/04/675757304.db2.gz LFDHWCMXPREHFN-UHFFFAOYSA-N 1 3 352.567 2.127 20 0 FEADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000616994735 676265396 /nfs/dbraw/zinc/26/53/96/676265396.db2.gz DSGCBNYABFHRSA-QGZVFWFLSA-N 1 3 351.535 2.258 20 0 FEADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000616994735 676265397 /nfs/dbraw/zinc/26/53/97/676265397.db2.gz DSGCBNYABFHRSA-QGZVFWFLSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000617504487 676288653 /nfs/dbraw/zinc/28/86/53/676288653.db2.gz YAQMNHAKWSIQIY-SUMWQHHRSA-N 1 3 353.894 2.032 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000617504487 676288654 /nfs/dbraw/zinc/28/86/54/676288654.db2.gz YAQMNHAKWSIQIY-SUMWQHHRSA-N 1 3 353.894 2.032 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCC[C@@H](C)O3)CC2)CC1 ZINC000618589118 676345364 /nfs/dbraw/zinc/34/53/64/676345364.db2.gz NWAMMFUTWWDSGY-APWZRJJASA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)NC[C@]1(O)CC[N@H+](C)C1 ZINC000623960682 676558597 /nfs/dbraw/zinc/55/85/97/676558597.db2.gz DHUIUNDLMMKLAC-IINYFYTJSA-N 1 3 351.800 2.341 20 0 FEADHO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000623960682 676558598 /nfs/dbraw/zinc/55/85/98/676558598.db2.gz DHUIUNDLMMKLAC-IINYFYTJSA-N 1 3 351.800 2.341 20 0 FEADHO CC1CCN([C@H](CNC(=O)N(C)CCOCC[NH3+])c2cccs2)CC1 ZINC000626921844 676728799 /nfs/dbraw/zinc/72/87/99/676728799.db2.gz KJIPRCOQNPFPQY-MRXNPFEDSA-N 1 3 368.547 2.138 20 0 FEADHO COC[C@@]1(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCCCN1 ZINC000638082871 677139506 /nfs/dbraw/zinc/13/95/06/677139506.db2.gz CQAVKWOZOHAOJI-LJQANCHMSA-N 1 3 365.543 2.235 20 0 FEADHO COC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCCCN1 ZINC000638086278 677139577 /nfs/dbraw/zinc/13/95/77/677139577.db2.gz XQEUUSQNXUKCKF-QFBILLFUSA-N 1 3 365.543 2.235 20 0 FEADHO COC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCCCN1 ZINC000638086278 677139578 /nfs/dbraw/zinc/13/95/78/677139578.db2.gz XQEUUSQNXUKCKF-QFBILLFUSA-N 1 3 365.543 2.235 20 0 FEADHO CC(C)(O)C[NH+]1CCC(NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000639103127 677154163 /nfs/dbraw/zinc/15/41/63/677154163.db2.gz FBHYSCLREMGQMI-ICSRJNTNSA-N 1 3 350.478 2.117 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641051948 677193884 /nfs/dbraw/zinc/19/38/84/677193884.db2.gz LOBVVLDRDZMELF-INIZCTEOSA-N 1 3 354.445 2.180 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccc(S(N)(=O)=O)cc1F ZINC000647171159 677296769 /nfs/dbraw/zinc/29/67/69/677296769.db2.gz BHXPMYDHBOYCME-CQSZACIVSA-N 1 3 357.495 2.217 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccc(S(N)(=O)=O)cc1F ZINC000647171159 677296770 /nfs/dbraw/zinc/29/67/70/677296770.db2.gz BHXPMYDHBOYCME-CQSZACIVSA-N 1 3 357.495 2.217 20 0 FEADHO CN(C)S(=O)(=O)c1cccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647975770 677309729 /nfs/dbraw/zinc/30/97/29/677309729.db2.gz FSQNLAKLLOWTPD-QZTJIDSGSA-N 1 3 365.543 2.149 20 0 FEADHO C[C@@H]1CN(CCOCC[N@@H+]2C[C@H](C)OCC23CCC3)C2(CCC2)CO1 ZINC000649822631 677338559 /nfs/dbraw/zinc/33/85/59/677338559.db2.gz LMYZMCLLGSHRCY-HDICACEKSA-N 1 3 352.519 2.290 20 0 FEADHO C[C@@H]1CN(CCOCC[N@H+]2C[C@H](C)OCC23CCC3)C2(CCC2)CO1 ZINC000649822631 677338560 /nfs/dbraw/zinc/33/85/60/677338560.db2.gz LMYZMCLLGSHRCY-HDICACEKSA-N 1 3 352.519 2.290 20 0 FEADHO C[C@@H]1C[N@@H+](CCOCCN2C[C@H](C)OCC23CCC3)C2(CCC2)CO1 ZINC000649822631 677338561 /nfs/dbraw/zinc/33/85/61/677338561.db2.gz LMYZMCLLGSHRCY-HDICACEKSA-N 1 3 352.519 2.290 20 0 FEADHO C[C@@H]1C[N@H+](CCOCCN2C[C@H](C)OCC23CCC3)C2(CCC2)CO1 ZINC000649822631 677338562 /nfs/dbraw/zinc/33/85/62/677338562.db2.gz LMYZMCLLGSHRCY-HDICACEKSA-N 1 3 352.519 2.290 20 0 FEADHO CC(C)N(C(=O)CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CCCC1 ZINC000652347574 677480845 /nfs/dbraw/zinc/48/08/45/677480845.db2.gz DRUCBDZYYNCVLB-SCTDSRPQSA-N 1 3 351.535 2.384 20 0 FEADHO CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000655924670 677692898 /nfs/dbraw/zinc/69/28/98/677692898.db2.gz NWPCEGBGGZPZPQ-LSDHHAIUSA-N 1 3 358.408 2.182 20 0 FEADHO c1csc([C@H](NCC2CC[NH+](C3CCOCC3)CC2)c2nnc[nH]2)c1 ZINC000658071476 678056694 /nfs/dbraw/zinc/05/66/94/678056694.db2.gz XFXBVJABJWQLLH-KRWDZBQOSA-N 1 3 361.515 2.436 20 0 FEADHO C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](F)[C@H](N)C2)[C@@H]1c1cccs1 ZINC000659458236 678179666 /nfs/dbraw/zinc/17/96/66/678179666.db2.gz CTYJTMNPBIAHRF-DSJMHWKBSA-N 1 3 354.495 2.212 20 0 FEADHO C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](F)[C@H](N)C2)[C@@H]1c1cccs1 ZINC000659458236 678179669 /nfs/dbraw/zinc/17/96/69/678179669.db2.gz CTYJTMNPBIAHRF-DSJMHWKBSA-N 1 3 354.495 2.212 20 0 FEADHO [NH3+]C1(CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCCC1 ZINC000659490262 678183530 /nfs/dbraw/zinc/18/35/30/678183530.db2.gz RCKAKVUJTGNUQG-UHFFFAOYSA-N 1 3 362.440 2.362 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@]3(C)CC3(F)F)CC2)CC1 ZINC000660574243 678359293 /nfs/dbraw/zinc/35/92/93/678359293.db2.gz OAHNISAJUZEMAC-QGZVFWFLSA-N 1 3 358.477 2.280 20 0 FEADHO CC1CCN([C@H](CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])c2cccs2)CC1 ZINC000662662876 678648419 /nfs/dbraw/zinc/64/84/19/678648419.db2.gz KFQZJCVKMKKXDL-OAGGEKHMSA-N 1 3 351.516 2.001 20 0 FEADHO Cc1cnc([C@H](C)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000664657638 678910557 /nfs/dbraw/zinc/91/05/57/678910557.db2.gz MENCMRSFRUTGAY-KGLIPLIRSA-N 1 3 355.552 2.126 20 0 FEADHO Cc1cnc([C@H](C)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000664657638 678910559 /nfs/dbraw/zinc/91/05/59/678910559.db2.gz MENCMRSFRUTGAY-KGLIPLIRSA-N 1 3 355.552 2.126 20 0 FEADHO Cc1csc(C(C)(C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000665758557 678981804 /nfs/dbraw/zinc/98/18/04/678981804.db2.gz JOWBZRNCHLVNPI-ZDUSSCGKSA-N 1 3 355.552 2.258 20 0 FEADHO Cc1csc(C(C)(C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000665758557 678981806 /nfs/dbraw/zinc/98/18/06/678981806.db2.gz JOWBZRNCHLVNPI-ZDUSSCGKSA-N 1 3 355.552 2.258 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](CC(F)(F)F)C1 ZINC000665762043 678982149 /nfs/dbraw/zinc/98/21/49/678982149.db2.gz YPSJWWRLVPMWIX-UONOGXRCSA-N 1 3 352.445 2.242 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](CC(F)(F)F)C1 ZINC000665762043 678982151 /nfs/dbraw/zinc/98/21/51/678982151.db2.gz YPSJWWRLVPMWIX-UONOGXRCSA-N 1 3 352.445 2.242 20 0 FEADHO CCN(CCC[NH+](CC)CC)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666976504 679055996 /nfs/dbraw/zinc/05/59/96/679055996.db2.gz KADNLZDEAWDQBH-SFHVURJKSA-N 1 3 354.539 2.003 20 0 FEADHO C[NH+]1CCC(CNCc2ccnc(Cl)c2Cl)(N2CCOCC2)CC1 ZINC000840955477 680856979 /nfs/dbraw/zinc/85/69/79/680856979.db2.gz RZAXXXGNWWTYJF-UHFFFAOYSA-N 1 3 373.328 2.275 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)C1 ZINC000841019073 680860175 /nfs/dbraw/zinc/86/01/75/680860175.db2.gz BMQLBMMTNFWEKU-RDJZCZTQSA-N 1 3 365.905 2.381 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)C1 ZINC000841019073 680860177 /nfs/dbraw/zinc/86/01/77/680860177.db2.gz BMQLBMMTNFWEKU-RDJZCZTQSA-N 1 3 365.905 2.381 20 0 FEADHO Brc1ccc2nc(CNCCN3CC[NH2+]CC3)sc2c1 ZINC000841045480 680860894 /nfs/dbraw/zinc/86/08/94/680860894.db2.gz WHVNMOQSZCQSFR-UHFFFAOYSA-N 1 3 355.305 2.054 20 0 FEADHO CC1(C)Cc2cc(CNC[C@H](N3CC[NH2+]CC3)C(F)(F)F)ccc2O1 ZINC000841069784 680861673 /nfs/dbraw/zinc/86/16/73/680861673.db2.gz DIBGKOGDOSCRKR-INIZCTEOSA-N 1 3 357.420 2.326 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1(C)C ZINC000831089116 679920681 /nfs/dbraw/zinc/92/06/81/679920681.db2.gz SQMYMQAKIVJUKU-AEBIURJHSA-N 1 3 351.535 2.432 20 0 FEADHO COc1ccc(Cl)c(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001020172201 680101889 /nfs/dbraw/zinc/10/18/89/680101889.db2.gz QJTJQDPGJMUXRK-DNNBLBMLSA-N 1 3 365.905 2.426 20 0 FEADHO COc1ccc(Cl)c(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001020172201 680101891 /nfs/dbraw/zinc/10/18/91/680101891.db2.gz QJTJQDPGJMUXRK-DNNBLBMLSA-N 1 3 365.905 2.426 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cccc(F)c3F)C2)CC[N@@H+]1C ZINC001020174476 680102742 /nfs/dbraw/zinc/10/27/42/680102742.db2.gz CDKNFDZLCPQSJY-QBYUYEEZSA-N 1 3 351.441 2.432 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cccc(F)c3F)C2)CC[N@H+]1C ZINC001020174476 680102744 /nfs/dbraw/zinc/10/27/44/680102744.db2.gz CDKNFDZLCPQSJY-QBYUYEEZSA-N 1 3 351.441 2.432 20 0 FEADHO Cc1nc(CCN2CCC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001023377405 680257629 /nfs/dbraw/zinc/25/76/29/680257629.db2.gz KVUZSICFDFOVIP-UWWQBHOKSA-N 1 3 364.559 2.162 20 0 FEADHO Cc1nc(CCN2CCC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001023377405 680257631 /nfs/dbraw/zinc/25/76/31/680257631.db2.gz KVUZSICFDFOVIP-UWWQBHOKSA-N 1 3 364.559 2.162 20 0 FEADHO Cc1nc(C)c(CN2CCC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001023379232 680258227 /nfs/dbraw/zinc/25/82/27/680258227.db2.gz ILQPDNVSYIAEFC-DJIMGWMZSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1nc(C)c(CN2CCC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001023379232 680258229 /nfs/dbraw/zinc/25/82/29/680258229.db2.gz ILQPDNVSYIAEFC-DJIMGWMZSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1cc(CNC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sn1 ZINC001024966734 680308002 /nfs/dbraw/zinc/30/80/02/680308002.db2.gz BAFIHVCISHYXTC-BFYDXBDKSA-N 1 3 350.532 2.262 20 0 FEADHO Cc1cc(CNC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sn1 ZINC001024966734 680308009 /nfs/dbraw/zinc/30/80/09/680308009.db2.gz BAFIHVCISHYXTC-BFYDXBDKSA-N 1 3 350.532 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3c(C)nsc3C)C2)CC[N@@H+]1C ZINC001028551892 680375375 /nfs/dbraw/zinc/37/53/75/680375375.db2.gz AWOGSERXKMPKOR-SOLBZPMBSA-N 1 3 364.559 2.428 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3c(C)nsc3C)C2)CC[N@H+]1C ZINC001028551892 680375380 /nfs/dbraw/zinc/37/53/80/680375380.db2.gz AWOGSERXKMPKOR-SOLBZPMBSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1cc(CN(C)CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)sn1 ZINC001029966318 680394479 /nfs/dbraw/zinc/39/44/79/680394479.db2.gz PRVNRBSDZWFVJO-CRAIPNDOSA-N 1 3 364.559 2.462 20 0 FEADHO Cc1cc(CN(C)CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)sn1 ZINC001029966318 680394480 /nfs/dbraw/zinc/39/44/80/680394480.db2.gz PRVNRBSDZWFVJO-CRAIPNDOSA-N 1 3 364.559 2.462 20 0 FEADHO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000759156428 680631875 /nfs/dbraw/zinc/63/18/75/680631875.db2.gz QNQXDHPIAXHARE-HNNXBMFYSA-N 1 3 355.523 2.380 20 0 FEADHO CC(C)(C)OC(=O)NC(C)(C)CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000759156428 680631878 /nfs/dbraw/zinc/63/18/78/680631878.db2.gz QNQXDHPIAXHARE-HNNXBMFYSA-N 1 3 355.523 2.380 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)NCc2ccc(C[NH3+])cc2F)cc(Cl)n1 ZINC000846693540 681275931 /nfs/dbraw/zinc/27/59/31/681275931.db2.gz JPLNKOFDQWHOKT-HNNXBMFYSA-N 1 3 350.825 2.348 20 0 FEADHO C[C@]12CSC[C@H]1CN(CC1(C[N@@H+]3C[C@@H]4CSC[C@]4(C)C3)COC1)C2 ZINC000934771063 681628528 /nfs/dbraw/zinc/62/85/28/681628528.db2.gz QAQXTROXVYZRCS-BDXSIMOUSA-N 1 3 368.612 2.373 20 0 FEADHO C[C@]12CSC[C@H]1CN(CC1(C[N@H+]3C[C@@H]4CSC[C@]4(C)C3)COC1)C2 ZINC000934771063 681628530 /nfs/dbraw/zinc/62/85/30/681628530.db2.gz QAQXTROXVYZRCS-BDXSIMOUSA-N 1 3 368.612 2.373 20 0 FEADHO CC(C)(C)OC(=O)NC/C=C/CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848907624 681640658 /nfs/dbraw/zinc/64/06/58/681640658.db2.gz QFWPLQGZBYAIPC-BDUNBXCCSA-N 1 3 353.507 2.300 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1cccc(Br)c1 ZINC000848987766 681647407 /nfs/dbraw/zinc/64/74/07/681647407.db2.gz YWSRBQKHSJZEBZ-CABCVRRESA-N 1 3 369.307 2.081 20 0 FEADHO CC(=O)c1ccc(NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000849274859 681675371 /nfs/dbraw/zinc/67/53/71/681675371.db2.gz AWSYZCOKUOIZEK-AWEZNQCLSA-N 1 3 350.532 2.448 20 0 FEADHO CC(=O)c1ccc(NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000849274859 681675374 /nfs/dbraw/zinc/67/53/74/681675374.db2.gz AWSYZCOKUOIZEK-AWEZNQCLSA-N 1 3 350.532 2.448 20 0 FEADHO CN(C[C@@](C)(O)C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000852108192 682220612 /nfs/dbraw/zinc/22/06/12/682220612.db2.gz WVJBNDQKZHJLBO-MOPGFXCFSA-N 1 3 355.523 2.022 20 0 FEADHO CN(C[C@@](C)(O)C[N@H+]1CCC[C@@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000852108192 682220615 /nfs/dbraw/zinc/22/06/15/682220615.db2.gz WVJBNDQKZHJLBO-MOPGFXCFSA-N 1 3 355.523 2.022 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=S)NCC2CC[NH+](C)CC2)cc1 ZINC000789392495 682600316 /nfs/dbraw/zinc/60/03/16/682600316.db2.gz FXQJBSYSMZMOLU-SFHVURJKSA-N 1 3 364.559 2.104 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1csc(-c2ccccn2)n1 ZINC000855346209 682659882 /nfs/dbraw/zinc/65/98/82/682659882.db2.gz RRTLEHMLKFCLKY-AWEZNQCLSA-N 1 3 361.515 2.207 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1csc(-c2ccccn2)n1 ZINC000855346209 682659887 /nfs/dbraw/zinc/65/98/87/682659887.db2.gz RRTLEHMLKFCLKY-AWEZNQCLSA-N 1 3 361.515 2.207 20 0 FEADHO COC(CC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1)OC ZINC000856607259 682794319 /nfs/dbraw/zinc/79/43/19/682794319.db2.gz ZLSFGYLYUXJEQZ-GOSISDBHSA-N 1 3 351.491 2.384 20 0 FEADHO COC(CC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1)OC ZINC000856607259 682794320 /nfs/dbraw/zinc/79/43/20/682794320.db2.gz ZLSFGYLYUXJEQZ-GOSISDBHSA-N 1 3 351.491 2.384 20 0 FEADHO CN(CCCN(C)C(=S)NCC1CC[NH+](C)CC1)Cc1ccco1 ZINC000795166617 683025585 /nfs/dbraw/zinc/02/55/85/683025585.db2.gz WRYIDFHSLHTVMG-UHFFFAOYSA-N 1 3 352.548 2.250 20 0 FEADHO CCN1CC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000796693869 683186686 /nfs/dbraw/zinc/18/66/86/683186686.db2.gz HWYVKOYJGRBKHQ-YLFCFFPRSA-N 1 3 355.523 2.236 20 0 FEADHO C[NH+]1CCC(NC(=S)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000920307264 683332316 /nfs/dbraw/zinc/33/23/16/683332316.db2.gz DHPCXPSEOLQVLN-OAHLLOKOSA-N 1 3 352.573 2.443 20 0 FEADHO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000799726181 683488684 /nfs/dbraw/zinc/48/86/84/683488684.db2.gz MDLBDGMZUBFLCA-CVEARBPZSA-N 1 3 356.555 2.294 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000863492414 683733728 /nfs/dbraw/zinc/73/37/28/683733728.db2.gz WCOBLRWWCYXRJH-UHFFFAOYSA-N 1 3 351.535 2.356 20 0 FEADHO CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000863556069 683741982 /nfs/dbraw/zinc/74/19/82/683741982.db2.gz AAIYUGUZSZUDOU-IAGOWNOFSA-N 1 3 355.523 2.212 20 0 FEADHO CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923494608 684291911 /nfs/dbraw/zinc/29/19/11/684291911.db2.gz YSVVOLBHFZKPIE-LLVKDONJSA-N 1 3 360.321 2.140 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCCN1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000924475986 684453836 /nfs/dbraw/zinc/45/38/36/684453836.db2.gz AGIMFTGJEXJQFB-DLBZAZTESA-N 1 3 350.507 2.047 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCCN1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000924475986 684453838 /nfs/dbraw/zinc/45/38/38/684453838.db2.gz AGIMFTGJEXJQFB-DLBZAZTESA-N 1 3 350.507 2.047 20 0 FEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000925639132 684575473 /nfs/dbraw/zinc/57/54/73/684575473.db2.gz KAWBBJCUPNPSMP-HOTGVXAUSA-N 1 3 351.516 2.222 20 0 FEADHO CC(C)(C)NS(=O)(=O)C1(CN[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925767211 684583992 /nfs/dbraw/zinc/58/39/92/684583992.db2.gz UPJKBBKDGQWWJM-INIZCTEOSA-N 1 3 353.532 2.307 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c(ccnc2Cl)o1 ZINC000869236581 684596129 /nfs/dbraw/zinc/59/61/29/684596129.db2.gz CNBPBQBWCDXXSJ-LBPRGKRZSA-N 1 3 352.866 2.483 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c(ccnc2Cl)o1 ZINC000869236581 684596132 /nfs/dbraw/zinc/59/61/32/684596132.db2.gz CNBPBQBWCDXXSJ-LBPRGKRZSA-N 1 3 352.866 2.483 20 0 FEADHO C[NH+](C)CCCCNCc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000876989051 686306338 /nfs/dbraw/zinc/30/63/38/686306338.db2.gz SOLSPOIZWXOPPZ-UHFFFAOYSA-N 1 3 352.479 2.440 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N2CCOc3ccc(C[NH3+])cc32)cc(Cl)n1 ZINC000877121072 686328329 /nfs/dbraw/zinc/32/83/29/686328329.db2.gz OVYKQTYIHBAFLW-AWEZNQCLSA-N 1 3 360.845 2.318 20 0 FEADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)cc1 ZINC000877138301 686330882 /nfs/dbraw/zinc/33/08/82/686330882.db2.gz SSNIDZUTUFHTJV-ZQDZILKHSA-N 1 3 358.360 2.424 20 0 FEADHO [NH3+][C@@H](CC1CC1)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000884224630 687823532 /nfs/dbraw/zinc/82/35/32/687823532.db2.gz UMUDBLIWDRRINK-SFHVURJKSA-N 1 3 365.905 2.427 20 0 FEADHO CCn1cc(Cl)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000889589690 688794382 /nfs/dbraw/zinc/79/43/82/688794382.db2.gz FTBBAYFZMHMHSG-UHFFFAOYSA-N 1 3 368.913 2.237 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cc(N)ncc2Cl)CC1 ZINC000891951687 689130424 /nfs/dbraw/zinc/13/04/24/689130424.db2.gz AHWUBIUNYFPVTK-UHFFFAOYSA-N 1 3 367.925 2.238 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892587803 689215398 /nfs/dbraw/zinc/21/53/98/689215398.db2.gz SAUSQOXAJIPXNO-BJWYYQGGSA-N 1 3 350.532 2.352 20 0 FEADHO CCN(CC)[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)c1ccsc1 ZINC000895715309 689760464 /nfs/dbraw/zinc/76/04/64/689760464.db2.gz QAMBEUWULPTHCX-GOSISDBHSA-N 1 3 365.543 2.358 20 0 FEADHO CC[C@@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)N(C)C ZINC000901201262 690624460 /nfs/dbraw/zinc/62/44/60/690624460.db2.gz NMCYBXUEGULJAQ-IPMKNSEASA-N 1 3 352.567 2.122 20 0 FEADHO CC[C@@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)N(C)C ZINC000901201262 690624461 /nfs/dbraw/zinc/62/44/61/690624461.db2.gz NMCYBXUEGULJAQ-IPMKNSEASA-N 1 3 352.567 2.122 20 0 FEADHO CCCN1CCC([NH2+]Cc2ccc(CS(=O)(=O)N(C)C)cc2)CC1 ZINC000903176058 690861685 /nfs/dbraw/zinc/86/16/85/690861685.db2.gz WZKUNBDYPDOTRN-UHFFFAOYSA-N 1 3 353.532 2.042 20 0 FEADHO CC(C)(C[NH3+])C1CCN(Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000903790779 690972521 /nfs/dbraw/zinc/97/25/21/690972521.db2.gz ABTUXMWBVJLGSS-UHFFFAOYSA-N 1 3 365.543 2.324 20 0 FEADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C[C@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000903839414 690977825 /nfs/dbraw/zinc/97/78/25/690977825.db2.gz KNPXTMNYGKYUTI-PUPMMZHASA-N 1 3 373.266 2.140 20 0 FEADHO C[C@H]1CCC[C@](CNC(=O)N2CCN(c3ccncc3)CC2)([NH+](C)C)C1 ZINC000052588325 540475186 /nfs/dbraw/zinc/47/51/86/540475186.db2.gz HZIFKBOLROCDCI-PXNSSMCTSA-N 1 3 359.518 2.424 20 0 FEADHO CC1CCN(CCC[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000550613629 674102204 /nfs/dbraw/zinc/10/22/04/674102204.db2.gz GYAXXXOGFUFITH-IBGZPJMESA-N 1 3 365.543 2.423 20 0 FEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000072907138 541892302 /nfs/dbraw/zinc/89/23/02/541892302.db2.gz CVZVFKLZGKYILG-LJQANCHMSA-N 1 3 358.530 2.189 20 0 FEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2ccccn2)no1 ZINC000073243160 541933224 /nfs/dbraw/zinc/93/32/24/541933224.db2.gz DMEZPSXKGDGQEW-INIZCTEOSA-N 1 3 371.485 2.225 20 0 FEADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCCN(CC[NH+](C)C)CC1 ZINC000073427852 541952785 /nfs/dbraw/zinc/95/27/85/541952785.db2.gz RVKGGWWGQXVVCT-UHFFFAOYSA-N 1 3 372.513 2.204 20 0 FEADHO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000073496415 541959221 /nfs/dbraw/zinc/95/92/21/541959221.db2.gz RAAHJYQZURSWPX-VQTJNVASSA-N 1 3 374.529 2.013 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000073569868 541968581 /nfs/dbraw/zinc/96/85/81/541968581.db2.gz HAAQNTQLXMXDIR-UHFFFAOYSA-N 1 3 366.550 2.146 20 0 FEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000073717081 541991456 /nfs/dbraw/zinc/99/14/56/541991456.db2.gz NWGSXWHZNUVPFG-ICSRJNTNSA-N 1 3 356.514 2.387 20 0 FEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000073717081 541991460 /nfs/dbraw/zinc/99/14/60/541991460.db2.gz NWGSXWHZNUVPFG-ICSRJNTNSA-N 1 3 356.514 2.387 20 0 FEADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000074139181 542043625 /nfs/dbraw/zinc/04/36/25/542043625.db2.gz VWWNBGBJGYNYPA-NRFANRHFSA-N 1 3 372.557 2.041 20 0 FEADHO C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000074139181 542043629 /nfs/dbraw/zinc/04/36/29/542043629.db2.gz VWWNBGBJGYNYPA-NRFANRHFSA-N 1 3 372.557 2.041 20 0 FEADHO CC[NH+]1CCC(CCNC(=O)c2cnn(CCN3CCCCC3)c2)CC1 ZINC000076198415 542242506 /nfs/dbraw/zinc/24/25/06/542242506.db2.gz QWQQAIOEEXYCHQ-UHFFFAOYSA-N 1 3 361.534 2.221 20 0 FEADHO CCN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@@H]1CCOC1 ZINC000076720015 542316805 /nfs/dbraw/zinc/31/68/05/542316805.db2.gz LPQQPKNANVHEIT-FQEVSTJZSA-N 1 3 359.514 2.257 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(F)c(Br)c1 ZINC000080061123 542561452 /nfs/dbraw/zinc/56/14/52/542561452.db2.gz HLKHCNQYRWGQSC-UHFFFAOYSA-N 1 3 360.271 2.154 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000080999402 542623198 /nfs/dbraw/zinc/62/31/98/542623198.db2.gz RVLYKPMVLVIYOO-NHCUHLMSSA-N 1 3 370.541 2.250 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000080999402 542623202 /nfs/dbraw/zinc/62/32/02/542623202.db2.gz RVLYKPMVLVIYOO-NHCUHLMSSA-N 1 3 370.541 2.250 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](O)C2CCOCC2)CC1 ZINC000088727426 542755623 /nfs/dbraw/zinc/75/56/23/542755623.db2.gz NLDUGNVPJKYDLU-NRFANRHFSA-N 1 3 361.530 2.096 20 0 FEADHO C[C@H]1CN(C(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000092821086 542888263 /nfs/dbraw/zinc/88/82/63/542888263.db2.gz ADTOGGZYPKPEQZ-ROUUACIJSA-N 1 3 374.529 2.256 20 0 FEADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)Cc1ccccc1 ZINC000106518470 543232378 /nfs/dbraw/zinc/23/23/78/543232378.db2.gz JEQOFEZKGFUYSR-ICSRJNTNSA-N 1 3 358.530 2.475 20 0 FEADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)Cc1ccccc1 ZINC000106518470 543232381 /nfs/dbraw/zinc/23/23/81/543232381.db2.gz JEQOFEZKGFUYSR-ICSRJNTNSA-N 1 3 358.530 2.475 20 0 FEADHO CCC[NH+]1CCC(NC(=O)NCc2ccccc2OCCN(C)C)CC1 ZINC000107334028 543266851 /nfs/dbraw/zinc/26/68/51/543266851.db2.gz NREIQDUORVTQOM-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000107392024 543269932 /nfs/dbraw/zinc/26/99/32/543269932.db2.gz QJLVUMVNIUEXLE-SFHVURJKSA-N 1 3 361.534 2.275 20 0 FEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000107392024 543269935 /nfs/dbraw/zinc/26/99/35/543269935.db2.gz QJLVUMVNIUEXLE-SFHVURJKSA-N 1 3 361.534 2.275 20 0 FEADHO C[C@@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)Oc1ccccc1 ZINC000113974195 543499895 /nfs/dbraw/zinc/49/98/95/543499895.db2.gz XHTCAGKWEIEVMZ-KRWDZBQOSA-N 1 3 374.529 2.312 20 0 FEADHO Cc1cccc(N2CCN(CCCC[NH2+]C3CCN(C(N)=O)CC3)CC2)c1 ZINC000125325241 543875057 /nfs/dbraw/zinc/87/50/57/543875057.db2.gz LDRLBGPEXUWBBK-UHFFFAOYSA-N 1 3 373.545 2.030 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(Br)c(F)c1 ZINC000126170485 543921908 /nfs/dbraw/zinc/92/19/08/543921908.db2.gz KDVMVJOXDGENPG-UHFFFAOYSA-N 1 3 374.298 2.083 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000129541515 544117203 /nfs/dbraw/zinc/11/72/03/544117203.db2.gz QKOBDUFVWLJFOF-RTBURBONSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000129541515 544117205 /nfs/dbraw/zinc/11/72/05/544117205.db2.gz QKOBDUFVWLJFOF-RTBURBONSA-N 1 3 356.514 2.435 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccccc1OC ZINC000129861466 544129934 /nfs/dbraw/zinc/12/99/34/544129934.db2.gz AWJYUVWYUQHMEQ-SFHVURJKSA-N 1 3 362.518 2.253 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccccc1OC ZINC000129861466 544129936 /nfs/dbraw/zinc/12/99/36/544129936.db2.gz AWJYUVWYUQHMEQ-SFHVURJKSA-N 1 3 362.518 2.253 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000130132510 544139684 /nfs/dbraw/zinc/13/96/84/544139684.db2.gz UZRBRWUGUUGJCA-DVOMOZLQSA-N 1 3 368.319 2.497 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000130132510 544139687 /nfs/dbraw/zinc/13/96/87/544139687.db2.gz UZRBRWUGUUGJCA-DVOMOZLQSA-N 1 3 368.319 2.497 20 0 FEADHO CCOC(=O)c1sc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1C ZINC000131754567 544205172 /nfs/dbraw/zinc/20/51/72/544205172.db2.gz DXBIZGIAMQRPPQ-UHFFFAOYSA-N 1 3 370.519 2.190 20 0 FEADHO COc1ccc2cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc2n1 ZINC000131809984 544207804 /nfs/dbraw/zinc/20/78/04/544207804.db2.gz LUTARYSJDXAZTC-UHFFFAOYSA-N 1 3 359.474 2.201 20 0 FEADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(-n2cncn2)cc1 ZINC000133163350 544258292 /nfs/dbraw/zinc/25/82/92/544258292.db2.gz CNLVJJCJYODMGE-SJORKVTESA-N 1 3 355.486 2.419 20 0 FEADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CSCCN1 ZINC000133959270 544289314 /nfs/dbraw/zinc/28/93/14/544289314.db2.gz XQILDGFKQYHWEM-RTBURBONSA-N 1 3 361.555 2.452 20 0 FEADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CSCCN1 ZINC000133959270 544289316 /nfs/dbraw/zinc/28/93/16/544289316.db2.gz XQILDGFKQYHWEM-RTBURBONSA-N 1 3 361.555 2.452 20 0 FEADHO CCCC[N@H+](C)CC1CCN(Cc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC000134164166 544296978 /nfs/dbraw/zinc/29/69/78/544296978.db2.gz HPXBHJJGGIQNQA-UHFFFAOYSA-N 1 3 374.577 2.172 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(Cc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC000134164166 544296980 /nfs/dbraw/zinc/29/69/80/544296980.db2.gz HPXBHJJGGIQNQA-UHFFFAOYSA-N 1 3 374.577 2.172 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cc(F)c(F)cc3F)CC2)CC1 ZINC000136376720 544372252 /nfs/dbraw/zinc/37/22/52/544372252.db2.gz HFUYARVQAADWMJ-UHFFFAOYSA-N 1 3 369.431 2.321 20 0 FEADHO CN(C)[C@@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000136080623 544365918 /nfs/dbraw/zinc/36/59/18/544365918.db2.gz GHFFWDXFCWPUSF-SFHVURJKSA-N 1 3 356.470 2.055 20 0 FEADHO CN1CCC(NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000181051580 327714033 /nfs/dbraw/zinc/71/40/33/327714033.db2.gz RZJMGEJPGNFTMO-UHFFFAOYSA-N 1 3 374.529 2.097 20 0 FEADHO C[NH+](C)C1CCN(CCNCc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189270538 328138082 /nfs/dbraw/zinc/13/80/82/328138082.db2.gz XOXFYGYMXNUNEG-UHFFFAOYSA-N 1 3 359.493 2.186 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)CC1 ZINC000190683405 328224340 /nfs/dbraw/zinc/22/43/40/328224340.db2.gz VRMKBSYRBUICLM-LJQANCHMSA-N 1 3 373.545 2.418 20 0 FEADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000190683456 328224457 /nfs/dbraw/zinc/22/44/57/328224457.db2.gz XCTXBRONZDVWBK-HNNXBMFYSA-N 1 3 365.547 2.009 20 0 FEADHO Cc1cc(C)c(N2CC[C@H](N(C)CCC[NH+]3CCN(C)CC3)C2=O)c(C)c1 ZINC000191016036 328245478 /nfs/dbraw/zinc/24/54/78/328245478.db2.gz FLXFIGRSVHNAQE-FQEVSTJZSA-N 1 3 372.557 2.286 20 0 FEADHO CCN(C)c1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cn1 ZINC000191581052 328272417 /nfs/dbraw/zinc/27/24/17/328272417.db2.gz QXILNLCEYHMYDJ-FQEVSTJZSA-N 1 3 354.498 2.394 20 0 FEADHO CCN(C)c1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cn1 ZINC000191581052 328272418 /nfs/dbraw/zinc/27/24/18/328272418.db2.gz QXILNLCEYHMYDJ-FQEVSTJZSA-N 1 3 354.498 2.394 20 0 FEADHO COC(=O)C1CCC([NH2+]CC2(N3CCCCC3)CCN(C)CC2)CC1 ZINC000192443716 328319092 /nfs/dbraw/zinc/31/90/92/328319092.db2.gz BFAZPKDNOAXCDQ-UHFFFAOYSA-N 1 3 351.535 2.258 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000236622104 328490077 /nfs/dbraw/zinc/49/00/77/328490077.db2.gz FNSWKJXHXYVEPT-DFNIBXOVSA-N 1 3 356.514 2.230 20 0 FEADHO CC[NH2+]CC1CCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000237060115 328503152 /nfs/dbraw/zinc/50/31/52/328503152.db2.gz PTCQEUUKIVIGCY-UHFFFAOYSA-N 1 3 372.557 2.355 20 0 FEADHO C[C@@H]1CCCN(CCNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000079171201 325080294 /nfs/dbraw/zinc/08/02/94/325080294.db2.gz QIOYDVKNLKILSB-QGZVFWFLSA-N 1 3 362.518 2.158 20 0 FEADHO C[NH2+]CC1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000237366190 328514001 /nfs/dbraw/zinc/51/40/01/328514001.db2.gz JCNXSOCTVILGSU-UHFFFAOYSA-N 1 3 358.530 2.047 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079300285 325085836 /nfs/dbraw/zinc/08/58/36/325085836.db2.gz YDQSZKMTQZKSEJ-KRWDZBQOSA-N 1 3 356.514 2.218 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079300285 325085840 /nfs/dbraw/zinc/08/58/40/325085840.db2.gz YDQSZKMTQZKSEJ-KRWDZBQOSA-N 1 3 356.514 2.218 20 0 FEADHO C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000089618966 325324279 /nfs/dbraw/zinc/32/42/79/325324279.db2.gz UXWABPLQMQARKY-CZUORRHYSA-N 1 3 373.419 2.441 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000104533772 325540455 /nfs/dbraw/zinc/54/04/55/325540455.db2.gz MOPMCMKXSHJNEO-UHFFFAOYSA-N 1 3 356.470 2.439 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000120931805 326299662 /nfs/dbraw/zinc/29/96/62/326299662.db2.gz IHKNXLNMUVENSI-CTNGQTDRSA-N 1 3 372.557 2.387 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000120931805 326299664 /nfs/dbraw/zinc/29/96/64/326299664.db2.gz IHKNXLNMUVENSI-CTNGQTDRSA-N 1 3 372.557 2.387 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000121109520 326314036 /nfs/dbraw/zinc/31/40/36/326314036.db2.gz DXCYSPUSNAOGLJ-OALUTQOASA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000121109520 326314037 /nfs/dbraw/zinc/31/40/37/326314037.db2.gz DXCYSPUSNAOGLJ-OALUTQOASA-N 1 3 356.514 2.435 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3nnc(C(F)F)s3)CC2)CC1 ZINC000121909866 326375395 /nfs/dbraw/zinc/37/53/95/326375395.db2.gz YCCMGBLFYWPMMQ-UHFFFAOYSA-N 1 3 374.461 2.156 20 0 FEADHO CN(C)Cc1cccc(C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)c1 ZINC000126724060 326493981 /nfs/dbraw/zinc/49/39/81/326493981.db2.gz BVQJXPBQBZCNKX-LJQANCHMSA-N 1 3 371.481 2.302 20 0 FEADHO COC1(C(=O)Nc2ccc(OCCN3CCCC3)c(C)c2)CC[NH2+]CC1 ZINC000169093654 327087624 /nfs/dbraw/zinc/08/76/24/327087624.db2.gz RWUORWLRANCIBV-UHFFFAOYSA-N 1 3 361.486 2.177 20 0 FEADHO Cc1c(C(=O)Nc2ccc(C)cc2CN(C)C)nnn1C1CC[NH2+]CC1 ZINC000168924017 327087801 /nfs/dbraw/zinc/08/78/01/327087801.db2.gz HSGDYQFMZUZXCF-UHFFFAOYSA-N 1 3 356.474 2.133 20 0 FEADHO CCc1nc(C)c([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)s1 ZINC000168892706 327087841 /nfs/dbraw/zinc/08/78/41/327087841.db2.gz GMSFFDBVNCSLFV-OAHLLOKOSA-N 1 3 354.564 2.055 20 0 FEADHO CC(C)[NH+]1CCC(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC1 ZINC000172721211 327215380 /nfs/dbraw/zinc/21/53/80/327215380.db2.gz OXLZDSZERWRLQL-UHFFFAOYSA-N 1 3 374.485 2.215 20 0 FEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173915921 327294250 /nfs/dbraw/zinc/29/42/50/327294250.db2.gz DRHZNQAOYGOAJJ-MRXNPFEDSA-N 1 3 364.538 2.467 20 0 FEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173915921 327294252 /nfs/dbraw/zinc/29/42/52/327294252.db2.gz DRHZNQAOYGOAJJ-MRXNPFEDSA-N 1 3 364.538 2.467 20 0 FEADHO Cc1cccc(OC[C@H](O)CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173958936 327297964 /nfs/dbraw/zinc/29/79/64/327297964.db2.gz HUAQXOYNXDFTBI-LJQANCHMSA-N 1 3 362.514 2.312 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2OCCN(C)C)CC[N@@H+]1C ZINC000174439046 327327188 /nfs/dbraw/zinc/32/71/88/327327188.db2.gz FZIYXGMSSGUQRF-SJLPKXTDSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2OCCN(C)C)CC[N@H+]1C ZINC000174439046 327327190 /nfs/dbraw/zinc/32/71/90/327327190.db2.gz FZIYXGMSSGUQRF-SJLPKXTDSA-N 1 3 362.518 2.251 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000176371421 327451673 /nfs/dbraw/zinc/45/16/73/327451673.db2.gz UTJMLNBSVUQMJO-UHFFFAOYSA-N 1 3 372.513 2.210 20 0 FEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000177541535 327529632 /nfs/dbraw/zinc/52/96/32/327529632.db2.gz BHEYVWHWHWYTMT-AZUAARDMSA-N 1 3 358.530 2.188 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1)c1ccccc1 ZINC000251664128 328788405 /nfs/dbraw/zinc/78/84/05/328788405.db2.gz LBFCWDNEFZKJDP-XUVXKRRUSA-N 1 3 369.513 2.376 20 0 FEADHO COCCCN(C)CCNC(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000266467515 329226180 /nfs/dbraw/zinc/22/61/80/329226180.db2.gz UYPSQBVBGSGNFS-UHFFFAOYSA-N 1 3 366.506 2.025 20 0 FEADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267186651 329300510 /nfs/dbraw/zinc/30/05/10/329300510.db2.gz CPWGXNBRHSJJIZ-KNQAVFIVSA-N 1 3 374.573 2.064 20 0 FEADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267274142 329309643 /nfs/dbraw/zinc/30/96/43/329309643.db2.gz SYAAWRPFVPIDAS-RBBKRZOGSA-N 1 3 374.573 2.066 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000268124415 329387959 /nfs/dbraw/zinc/38/79/59/329387959.db2.gz MMYCEOBXQWFEMT-LAUBAEHRSA-N 1 3 370.541 2.475 20 0 FEADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000271888022 329734323 /nfs/dbraw/zinc/73/43/23/329734323.db2.gz VHOTVHOBNLGVFO-MRXNPFEDSA-N 1 3 353.532 2.497 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000275174359 330018655 /nfs/dbraw/zinc/01/86/55/330018655.db2.gz CMSPRZXGSNVDQA-MISYRCLQSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@@H]1CN(CCc2nc3ccccc3n2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367029668 330208932 /nfs/dbraw/zinc/20/89/32/330208932.db2.gz MYFSYKBEPVLRPH-IEBWSBKVSA-N 1 3 355.530 2.074 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367262006 330237455 /nfs/dbraw/zinc/23/74/55/330237455.db2.gz HTGDCAKCVFOCHI-OXQOHEQNSA-N 1 3 371.529 2.422 20 0 FEADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000373639257 330247597 /nfs/dbraw/zinc/24/75/97/330247597.db2.gz OWGZSWOYLFQOKB-LJQANCHMSA-N 1 3 361.534 2.277 20 0 FEADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)CC1 ZINC000411382083 330256372 /nfs/dbraw/zinc/25/63/72/330256372.db2.gz DJXYPVWINFMUGP-UHFFFAOYSA-N 1 3 374.529 2.328 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)CCCN1CCC([NH3+])CC1)c1ccsc1 ZINC000433158788 330273919 /nfs/dbraw/zinc/27/39/19/330273919.db2.gz QLSAKPQDYWKMRX-SFHVURJKSA-N 1 3 366.575 2.451 20 0 FEADHO CN(C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCN(C2CC2)C1 ZINC000477449661 561145187 /nfs/dbraw/zinc/14/51/87/561145187.db2.gz ZCIQTWWNHUIPNM-IBGZPJMESA-N 1 3 374.529 2.395 20 0 FEADHO C[C@@H](CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)N(C)C1CC1 ZINC000477449724 561145230 /nfs/dbraw/zinc/14/52/30/561145230.db2.gz ZZQKFCHJHVUHSF-KRWDZBQOSA-N 1 3 374.529 2.443 20 0 FEADHO [NH3+]C[C@@H](C(=O)NCC1(N2CCSCC2)CCCC1)c1ccc(F)cc1 ZINC000479189886 561183874 /nfs/dbraw/zinc/18/38/74/561183874.db2.gz RHTBODLWDXGWSX-QGZVFWFLSA-N 1 3 365.518 2.346 20 0 FEADHO COCCN(C)CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000171203596 546197053 /nfs/dbraw/zinc/19/70/53/546197053.db2.gz IFSBMDJMGWFTQG-LJQANCHMSA-N 1 3 362.518 2.009 20 0 FEADHO C[C@H]1CCC[N@H+](CCNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000479339486 561187691 /nfs/dbraw/zinc/18/76/91/561187691.db2.gz GKFNKYGMPUZPFF-YJBOKZPZSA-N 1 3 350.482 2.460 20 0 FEADHO C[C@H]1CCC[N@@H+](CCNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000479339486 561187692 /nfs/dbraw/zinc/18/76/92/561187692.db2.gz GKFNKYGMPUZPFF-YJBOKZPZSA-N 1 3 350.482 2.460 20 0 FEADHO C[C@@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)N1CCC[C@H](C)C1 ZINC000175606541 546318918 /nfs/dbraw/zinc/31/89/18/546318918.db2.gz JOAFJQWLPOQIHE-ROUUACIJSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000480671937 561214120 /nfs/dbraw/zinc/21/41/20/561214120.db2.gz CLGQWKTXTOAPGT-NQIIRXRSSA-N 1 3 370.541 2.067 20 0 FEADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000480671937 561214121 /nfs/dbraw/zinc/21/41/21/561214121.db2.gz CLGQWKTXTOAPGT-NQIIRXRSSA-N 1 3 370.541 2.067 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)c1 ZINC000177453395 546621348 /nfs/dbraw/zinc/62/13/48/546621348.db2.gz XSPLUEJRIXTYGF-PMACEKPBSA-N 1 3 372.557 2.496 20 0 FEADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(I)cc1 ZINC000481027323 561223377 /nfs/dbraw/zinc/22/33/77/561223377.db2.gz RCVSMZDZHKZTLQ-DOMZBBRYSA-N 1 3 374.266 2.399 20 0 FEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000177852609 546696717 /nfs/dbraw/zinc/69/67/17/546696717.db2.gz LZXKHCSQTPHHAF-GOSISDBHSA-N 1 3 358.530 2.418 20 0 FEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000177852609 546696718 /nfs/dbraw/zinc/69/67/18/546696718.db2.gz LZXKHCSQTPHHAF-GOSISDBHSA-N 1 3 358.530 2.418 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000177866982 546699316 /nfs/dbraw/zinc/69/93/16/546699316.db2.gz BGVHRCOTTLKMBG-KRWDZBQOSA-N 1 3 362.518 2.110 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000177866982 546699321 /nfs/dbraw/zinc/69/93/21/546699321.db2.gz BGVHRCOTTLKMBG-KRWDZBQOSA-N 1 3 362.518 2.110 20 0 FEADHO CN(C)[C@@]1(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCSC1 ZINC000481790461 561242533 /nfs/dbraw/zinc/24/25/33/561242533.db2.gz TZGHQQFUDMTMQQ-GOSISDBHSA-N 1 3 354.564 2.084 20 0 FEADHO CCN(Cc1ccc(C(=O)NCCN2CCC([NH+](C)C)CC2)cc1)C1CC1 ZINC000482003019 561247216 /nfs/dbraw/zinc/24/72/16/561247216.db2.gz RFHQYZXRLYDNSO-UHFFFAOYSA-N 1 3 372.557 2.427 20 0 FEADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000482151257 561249181 /nfs/dbraw/zinc/24/91/81/561249181.db2.gz OAMYWVJFTLZHEZ-IAGOWNOFSA-N 1 3 364.534 2.341 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000181975131 547415056 /nfs/dbraw/zinc/41/50/56/547415056.db2.gz ZOIPVVDIXPWPJA-FHWLQOOXSA-N 1 3 357.498 2.025 20 0 FEADHO C[C@H](CCNC(=O)N1CCN(CC2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000182689832 547534783 /nfs/dbraw/zinc/53/47/83/547534783.db2.gz IDLRVPUTNWREMC-GOSISDBHSA-N 1 3 366.550 2.005 20 0 FEADHO CC(=O)c1ccccc1OCCN1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182904232 547569870 /nfs/dbraw/zinc/56/98/70/547569870.db2.gz JMNIPUVWBBQMID-IBGZPJMESA-N 1 3 359.514 2.370 20 0 FEADHO CN(CCC[NH+]1CCN(C)CC1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000182961754 547579615 /nfs/dbraw/zinc/57/96/15/547579615.db2.gz UUQUDLRSXJUPCB-SFHVURJKSA-N 1 3 364.921 2.015 20 0 FEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccnc(OCCN(C)C)c1)C2 ZINC000183222046 547623287 /nfs/dbraw/zinc/62/32/87/547623287.db2.gz QYVUJGFLEIPBBG-ZWKOTPCHSA-N 1 3 360.502 2.109 20 0 FEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccnc(OCCN(C)C)c1)C2 ZINC000183222046 547623290 /nfs/dbraw/zinc/62/32/90/547623290.db2.gz QYVUJGFLEIPBBG-ZWKOTPCHSA-N 1 3 360.502 2.109 20 0 FEADHO CCCN1CCC([NH2+]CCNS(=O)(=O)c2cc(C)sc2C)CC1 ZINC000183362483 547645330 /nfs/dbraw/zinc/64/53/30/547645330.db2.gz FIQZJLPXICDBQC-UHFFFAOYSA-N 1 3 359.561 2.107 20 0 FEADHO C[C@@H](NC(C)(C)CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000485823837 561329026 /nfs/dbraw/zinc/32/90/26/561329026.db2.gz ZYOODSIEHCKOSS-WBVHZDCISA-N 1 3 370.501 2.062 20 0 FEADHO O=C(NCC1=CC[NH2+]CC1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000186394902 548128712 /nfs/dbraw/zinc/12/87/12/548128712.db2.gz YZNSTGSIGVLIGO-GOSISDBHSA-N 1 3 367.415 2.477 20 0 FEADHO C[C@H](CCN1CCN(C)CC1)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000186598209 548156488 /nfs/dbraw/zinc/15/64/88/548156488.db2.gz NKEMMZKGPJMSNE-HXUWFJFHSA-N 1 3 358.574 2.309 20 0 FEADHO C[NH+](C)[C@@]1(CNC(=O)N2CCN(C3CCCCC3)CC2)CCSC1 ZINC000486231409 561341691 /nfs/dbraw/zinc/34/16/91/561341691.db2.gz VNEDOBXZTZNJSL-GOSISDBHSA-N 1 3 354.564 2.084 20 0 FEADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000486607795 561352283 /nfs/dbraw/zinc/35/22/83/561352283.db2.gz VMPVFRVIMGHARQ-GHTZIAJQSA-N 1 3 373.541 2.372 20 0 FEADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000486607795 561352284 /nfs/dbraw/zinc/35/22/84/561352284.db2.gz VMPVFRVIMGHARQ-GHTZIAJQSA-N 1 3 373.541 2.372 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000194445055 548483909 /nfs/dbraw/zinc/48/39/09/548483909.db2.gz AYIZTPZUDRRJRB-PMACEKPBSA-N 1 3 354.498 2.164 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000194445055 548483911 /nfs/dbraw/zinc/48/39/11/548483911.db2.gz AYIZTPZUDRRJRB-PMACEKPBSA-N 1 3 354.498 2.164 20 0 FEADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(Br)cc2)CC[N@@H+]1C ZINC000226876644 548750856 /nfs/dbraw/zinc/75/08/56/548750856.db2.gz ZGCBMPVHIDOQAW-VHDGCEQUSA-N 1 3 357.292 2.261 20 0 FEADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(Br)cc2)CC[N@H+]1C ZINC000226876644 548750858 /nfs/dbraw/zinc/75/08/58/548750858.db2.gz ZGCBMPVHIDOQAW-VHDGCEQUSA-N 1 3 357.292 2.261 20 0 FEADHO CC(C)[C@H](CNC(=O)C[C@H]1CSCC[NH2+]1)N1CCc2ccccc2C1 ZINC000236660395 548771186 /nfs/dbraw/zinc/77/11/86/548771186.db2.gz XAIZCLUHCQJTTR-OALUTQOASA-N 1 3 361.555 2.281 20 0 FEADHO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000237255750 548812561 /nfs/dbraw/zinc/81/25/61/548812561.db2.gz NTTHBPPSCKCDRB-SFHVURJKSA-N 1 3 358.530 2.289 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000245473163 548930818 /nfs/dbraw/zinc/93/08/18/548930818.db2.gz PRQKCHMAHRIJGF-ROUUACIJSA-N 1 3 368.566 2.295 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000245473163 548930820 /nfs/dbraw/zinc/93/08/20/548930820.db2.gz PRQKCHMAHRIJGF-ROUUACIJSA-N 1 3 368.566 2.295 20 0 FEADHO CN(C)C(=O)[C@@H]1CC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000245680747 548974044 /nfs/dbraw/zinc/97/40/44/548974044.db2.gz IUVBCTZQLOVFBC-WHZJULEDSA-N 1 3 371.525 2.407 20 0 FEADHO CN(C)C(=O)[C@@H]1CC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000245680747 548974050 /nfs/dbraw/zinc/97/40/50/548974050.db2.gz IUVBCTZQLOVFBC-WHZJULEDSA-N 1 3 371.525 2.407 20 0 FEADHO CC[C@H](C)[C@@H](N)C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000245993386 549032748 /nfs/dbraw/zinc/03/27/48/549032748.db2.gz QZDFVILYCLKPBT-PWIZWCRZSA-N 1 3 361.530 2.264 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000246376107 549118053 /nfs/dbraw/zinc/11/80/53/549118053.db2.gz JRKQZXSFEJMFIB-QFBILLFUSA-N 1 3 359.518 2.280 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000246376107 549118059 /nfs/dbraw/zinc/11/80/59/549118059.db2.gz JRKQZXSFEJMFIB-QFBILLFUSA-N 1 3 359.518 2.280 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)CN2CCCCC2)[C@@H](C)C1 ZINC000247311799 549315095 /nfs/dbraw/zinc/31/50/95/549315095.db2.gz VZIOTHDJXOWLTN-FHWLQOOXSA-N 1 3 368.566 2.297 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)CN2CCCCC2)[C@@H](C)C1 ZINC000247311799 549315098 /nfs/dbraw/zinc/31/50/98/549315098.db2.gz VZIOTHDJXOWLTN-FHWLQOOXSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)N1CCC[C@H](C)C1 ZINC000247309110 549315472 /nfs/dbraw/zinc/31/54/72/549315472.db2.gz JOAFJQWLPOQIHE-ZWKOTPCHSA-N 1 3 368.566 2.249 20 0 FEADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccn[nH]1 ZINC000248394254 549427302 /nfs/dbraw/zinc/42/73/02/549427302.db2.gz FJZVCSITAVZZPH-GUDVDZBRSA-N 1 3 367.497 2.030 20 0 FEADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccn[nH]1 ZINC000248394254 549427305 /nfs/dbraw/zinc/42/73/05/549427305.db2.gz FJZVCSITAVZZPH-GUDVDZBRSA-N 1 3 367.497 2.030 20 0 FEADHO CN1CC[C@@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H]1c1ccccc1 ZINC000249099623 549550813 /nfs/dbraw/zinc/55/08/13/549550813.db2.gz WAVZOLWYBLNZRL-SJLPKXTDSA-N 1 3 356.474 2.012 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000249352149 549582936 /nfs/dbraw/zinc/58/29/36/549582936.db2.gz QFDUNTKTILRVMO-YZGWKJHDSA-N 1 3 360.546 2.068 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000249352149 549582940 /nfs/dbraw/zinc/58/29/40/549582940.db2.gz QFDUNTKTILRVMO-YZGWKJHDSA-N 1 3 360.546 2.068 20 0 FEADHO C[C@@H](O)C[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CCCCC1 ZINC000249359014 549583276 /nfs/dbraw/zinc/58/32/76/549583276.db2.gz SCPUUJCFPHVTAH-YLJYHZDGSA-N 1 3 361.530 2.421 20 0 FEADHO C[C@@H](O)C[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CCCCC1 ZINC000249359014 549583279 /nfs/dbraw/zinc/58/32/79/549583279.db2.gz SCPUUJCFPHVTAH-YLJYHZDGSA-N 1 3 361.530 2.421 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NCc2cccs2)[C@H](C)C1 ZINC000249478617 549595092 /nfs/dbraw/zinc/59/50/92/549595092.db2.gz WIGMGIFOVMYZBO-NUJGCVRESA-N 1 3 367.559 2.479 20 0 FEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000252537958 549673302 /nfs/dbraw/zinc/67/33/02/549673302.db2.gz BWHHDBWGSPKOQD-FCGDIQPGSA-N 1 3 368.566 2.105 20 0 FEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000252537958 549673305 /nfs/dbraw/zinc/67/33/05/549673305.db2.gz BWHHDBWGSPKOQD-FCGDIQPGSA-N 1 3 368.566 2.105 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2c[nH]nc2-c2ccsc2)C1)[C@H]1CCC[NH2+]1 ZINC000262047611 549783960 /nfs/dbraw/zinc/78/39/60/549783960.db2.gz ZDMCKNNNPGPBMU-RHSMWYFYSA-N 1 3 373.526 2.218 20 0 FEADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@@H](C)C1 ZINC000490267658 561429908 /nfs/dbraw/zinc/42/99/08/561429908.db2.gz HCRLDMJQBIFQIB-BZSNNMDCSA-N 1 3 350.551 2.480 20 0 FEADHO [NH3+]CCc1nc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cs1 ZINC000262443894 549820454 /nfs/dbraw/zinc/82/04/54/549820454.db2.gz YJPUMJBWRVRHAR-ZDUSSCGKSA-N 1 3 364.540 2.348 20 0 FEADHO COc1ccccc1-c1ncc(CNCCCC[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000490896868 561439956 /nfs/dbraw/zinc/43/99/56/561439956.db2.gz DBWTYOQSVLXAES-GOSISDBHSA-N 1 3 370.497 2.479 20 0 FEADHO COc1ccccc1-c1ncc(CNCCCC[N@H+]2CCC[C@@H]2CO)cn1 ZINC000490896868 561439957 /nfs/dbraw/zinc/43/99/57/561439957.db2.gz DBWTYOQSVLXAES-GOSISDBHSA-N 1 3 370.497 2.479 20 0 FEADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000268844205 550122597 /nfs/dbraw/zinc/12/25/97/550122597.db2.gz PGJJCLROVQPODE-YLJYHZDGSA-N 1 3 358.530 2.175 20 0 FEADHO C[C@@H]1C[C@H](N[C@H]2CCCN(S(C)(=O)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000269050270 550149426 /nfs/dbraw/zinc/14/94/26/550149426.db2.gz VSOVTYTUMNNOQU-QRQLOZEOSA-N 1 3 365.543 2.053 20 0 FEADHO C[C@@H]1C[C@H](N[C@H]2CCCN(S(C)(=O)=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000269050270 550149429 /nfs/dbraw/zinc/14/94/29/550149429.db2.gz VSOVTYTUMNNOQU-QRQLOZEOSA-N 1 3 365.543 2.053 20 0 FEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000270984503 550328281 /nfs/dbraw/zinc/32/82/81/550328281.db2.gz WCNXICRCIAHQBL-IBGZPJMESA-N 1 3 372.557 2.387 20 0 FEADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc([S@](C)=O)cc1 ZINC000271500735 550380546 /nfs/dbraw/zinc/38/05/46/550380546.db2.gz LWYUYJIHTKDRSO-GGMMCWFTSA-N 1 3 350.528 2.452 20 0 FEADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271864584 550407317 /nfs/dbraw/zinc/40/73/17/550407317.db2.gz OXIONUUBGZPTID-JKSUJKDBSA-N 1 3 353.532 2.497 20 0 FEADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271864584 550407319 /nfs/dbraw/zinc/40/73/19/550407319.db2.gz OXIONUUBGZPTID-JKSUJKDBSA-N 1 3 353.532 2.497 20 0 FEADHO CN1CCN(C)[C@H](CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000272725502 550467040 /nfs/dbraw/zinc/46/70/40/550467040.db2.gz YOAXYURJBKSXSI-DXBBTUNJSA-N 1 3 356.558 2.123 20 0 FEADHO CN1CCN(C)[C@H](CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000272725502 550467042 /nfs/dbraw/zinc/46/70/42/550467042.db2.gz YOAXYURJBKSXSI-DXBBTUNJSA-N 1 3 356.558 2.123 20 0 FEADHO CN1CCN(C)[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000272725502 550467044 /nfs/dbraw/zinc/46/70/44/550467044.db2.gz YOAXYURJBKSXSI-DXBBTUNJSA-N 1 3 356.558 2.123 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000274725593 550550896 /nfs/dbraw/zinc/55/08/96/550550896.db2.gz AKZRJPYDUGMOND-NZSAHSFTSA-N 1 3 361.530 2.152 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000494686001 561474203 /nfs/dbraw/zinc/47/42/03/561474203.db2.gz AEGOXJZRZVTHJA-KURKYZTESA-N 1 3 366.550 2.144 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@H+]1CCCC[C@H]1C ZINC000494686001 561474204 /nfs/dbraw/zinc/47/42/04/561474204.db2.gz AEGOXJZRZVTHJA-KURKYZTESA-N 1 3 366.550 2.144 20 0 FEADHO O=c1[nH]ccc2c1CN(CCCC[N@@H+]1CCc3cc[nH]c(=O)c3C1)CC2 ZINC000276859498 550604102 /nfs/dbraw/zinc/60/41/02/550604102.db2.gz AXWUFOHATKGHJX-UHFFFAOYSA-N 1 3 354.454 2.084 20 0 FEADHO O=c1[nH]ccc2c1CN(CCCC[N@H+]1CCc3cc[nH]c(=O)c3C1)CC2 ZINC000276859498 550604104 /nfs/dbraw/zinc/60/41/04/550604104.db2.gz AXWUFOHATKGHJX-UHFFFAOYSA-N 1 3 354.454 2.084 20 0 FEADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)[C@H]1C ZINC000280250689 550974501 /nfs/dbraw/zinc/97/45/01/550974501.db2.gz KRWFPPDZIVFXTN-FEHORTKBSA-N 1 3 360.498 2.321 20 0 FEADHO C[C@@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000280990209 551052446 /nfs/dbraw/zinc/05/24/46/551052446.db2.gz MSUYCULOFLMVAX-OAHLLOKOSA-N 1 3 354.516 2.245 20 0 FEADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000498126663 561516526 /nfs/dbraw/zinc/51/65/26/561516526.db2.gz PZJGRKLZWCBOGX-HSALFYBXSA-N 1 3 356.514 2.387 20 0 FEADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000498126663 561516527 /nfs/dbraw/zinc/51/65/27/561516527.db2.gz PZJGRKLZWCBOGX-HSALFYBXSA-N 1 3 356.514 2.387 20 0 FEADHO C[NH+]1CCC(Oc2ccc(CN[C@H](Cc3ccccc3)C(N)=O)cc2)CC1 ZINC000284430432 551547355 /nfs/dbraw/zinc/54/73/55/551547355.db2.gz OSFRSEDBSKZILI-OAQYLSRUSA-N 1 3 367.493 2.346 20 0 FEADHO COc1cc([C@H](C)NCCCN2CCN(c3cc[nH+]cc3)CC2)c(F)cn1 ZINC000287279680 551984344 /nfs/dbraw/zinc/98/43/44/551984344.db2.gz BKEXEDTVDHOCFG-INIZCTEOSA-N 1 3 373.476 2.487 20 0 FEADHO Cc1cccc(CCCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000287368081 551995309 /nfs/dbraw/zinc/99/53/09/551995309.db2.gz MTCWGKVNYLJPMJ-UHFFFAOYSA-N 1 3 373.545 2.180 20 0 FEADHO FC(F)(F)[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CCO1 ZINC000287621047 552026332 /nfs/dbraw/zinc/02/63/32/552026332.db2.gz JVQLZZPWIPAEGT-DOTOQJQBSA-N 1 3 372.435 2.293 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000287712490 552037127 /nfs/dbraw/zinc/03/71/27/552037127.db2.gz VBFGHDOEASKSAH-DNVCBOLYSA-N 1 3 360.502 2.081 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000287712490 552037129 /nfs/dbraw/zinc/03/71/29/552037129.db2.gz VBFGHDOEASKSAH-DNVCBOLYSA-N 1 3 360.502 2.081 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1c(C)noc1C ZINC000499507538 561552619 /nfs/dbraw/zinc/55/26/19/561552619.db2.gz JUJRMROLPDLQGH-KRWDZBQOSA-N 1 3 350.507 2.099 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1c(C)noc1C ZINC000499507538 561552620 /nfs/dbraw/zinc/55/26/20/561552620.db2.gz JUJRMROLPDLQGH-KRWDZBQOSA-N 1 3 350.507 2.099 20 0 FEADHO CN(C)CC1(C[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CCCC1 ZINC000290812859 552542499 /nfs/dbraw/zinc/54/24/99/552542499.db2.gz WKJJHNRNECVGJP-SFHVURJKSA-N 1 3 365.543 2.423 20 0 FEADHO C[C@H](Oc1ccccc1F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000501286416 561594087 /nfs/dbraw/zinc/59/40/87/561594087.db2.gz URDRMGXKLHZADU-HNNXBMFYSA-N 1 3 363.477 2.268 20 0 FEADHO CN(C)CCOc1ccc(CC[NH2+]Cc2cnn(CC(F)F)c2)cc1 ZINC000293072806 552786255 /nfs/dbraw/zinc/78/62/55/552786255.db2.gz UHYJHOHUKKDJHE-UHFFFAOYSA-N 1 3 352.429 2.421 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)CC2)c1 ZINC000293951754 552870441 /nfs/dbraw/zinc/87/04/41/552870441.db2.gz SHQBMTZNWBSVQC-QFIPXVFZSA-N 1 3 370.541 2.061 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)CC2)c1 ZINC000293951754 552870443 /nfs/dbraw/zinc/87/04/43/552870443.db2.gz SHQBMTZNWBSVQC-QFIPXVFZSA-N 1 3 370.541 2.061 20 0 FEADHO C[NH+](C)CC1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000501775228 561605249 /nfs/dbraw/zinc/60/52/49/561605249.db2.gz INKQVIPCDJXGKP-UHFFFAOYSA-N 1 3 358.530 2.418 20 0 FEADHO C[C@H](CNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1)C[NH+](C)C ZINC000294415427 552904546 /nfs/dbraw/zinc/90/45/46/552904546.db2.gz XSIQHGOILWKMMU-MRXNPFEDSA-N 1 3 357.502 2.039 20 0 FEADHO C[C@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)CCN(C2CC2)C1 ZINC000297244115 553268330 /nfs/dbraw/zinc/26/83/30/553268330.db2.gz OALYIUUVDKUJNB-QGZVFWFLSA-N 1 3 374.529 2.253 20 0 FEADHO COc1ccccc1N1CC[C@H](NC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000297615789 553316226 /nfs/dbraw/zinc/31/62/26/553316226.db2.gz KXIRNGLHTACZKA-SFHVURJKSA-N 1 3 366.465 2.454 20 0 FEADHO CN(C)c1ccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000299473538 553568283 /nfs/dbraw/zinc/56/82/83/553568283.db2.gz SUZWEPCBUHSVOW-UHFFFAOYSA-N 1 3 372.557 2.360 20 0 FEADHO CCC(CC)(C[NH3+])C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000504218477 561654562 /nfs/dbraw/zinc/65/45/62/561654562.db2.gz DISHWZOPHOPADA-UHFFFAOYSA-N 1 3 360.546 2.470 20 0 FEADHO C[C@@H]([NH3+])C1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000316000780 553760871 /nfs/dbraw/zinc/76/08/71/553760871.db2.gz JACYWUCMWRHRNM-LLVKDONJSA-N 1 3 365.275 2.016 20 0 FEADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000328283739 553793685 /nfs/dbraw/zinc/79/36/85/553793685.db2.gz HLGRFUYEHUBENY-SQGPQFPESA-N 1 3 351.535 2.098 20 0 FEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000328283739 553793686 /nfs/dbraw/zinc/79/36/86/553793686.db2.gz HLGRFUYEHUBENY-SQGPQFPESA-N 1 3 351.535 2.098 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(-n2cccn2)cc1 ZINC000505738438 561678886 /nfs/dbraw/zinc/67/88/86/561678886.db2.gz RYMJONSBACLFRN-HXUWFJFHSA-N 1 3 369.513 2.360 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(-n2cccn2)cc1 ZINC000505738438 561678888 /nfs/dbraw/zinc/67/88/88/561678888.db2.gz RYMJONSBACLFRN-HXUWFJFHSA-N 1 3 369.513 2.360 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000333186846 554585875 /nfs/dbraw/zinc/58/58/75/554585875.db2.gz TVXBCTNJSZGVNS-JWTNVVGKSA-N 1 3 363.527 2.021 20 0 FEADHO O=C1CC[C@@H](N[C@H]2CCc3cc(F)c(F)c(F)c32)[C@H](C2CC[NH2+]CC2)N1 ZINC000333284594 554598591 /nfs/dbraw/zinc/59/85/91/554598591.db2.gz NAYGTDNXYJDLFG-KSMMKXTCSA-N 1 3 367.415 2.328 20 0 FEADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000333437428 554613076 /nfs/dbraw/zinc/61/30/76/554613076.db2.gz VOKDDYRAJBCINV-HZPDHXFCSA-N 1 3 354.564 2.165 20 0 FEADHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC3(N4CCSCC4)CCCCC3)C[C@H]12 ZINC000333463161 554615653 /nfs/dbraw/zinc/61/56/53/554615653.db2.gz ZLBPJOPBUROWOA-YESZJQIVSA-N 1 3 366.575 2.117 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C[C@@H]21 ZINC000333940331 554658360 /nfs/dbraw/zinc/65/83/60/554658360.db2.gz NYZRCNYQHREPFN-FUMNGEBKSA-N 1 3 356.514 2.420 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)ccn1 ZINC000359897601 554856271 /nfs/dbraw/zinc/85/62/71/554856271.db2.gz LNLADELVMWSVGN-GOSISDBHSA-N 1 3 360.502 2.113 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C[N@@H+]1C1CC1 ZINC000361667088 554928186 /nfs/dbraw/zinc/92/81/86/554928186.db2.gz MNRFTKFUEIGMGA-NZSAHSFTSA-N 1 3 371.529 2.218 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C[N@H+]1C1CC1 ZINC000361667088 554928187 /nfs/dbraw/zinc/92/81/87/554928187.db2.gz MNRFTKFUEIGMGA-NZSAHSFTSA-N 1 3 371.529 2.218 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000362973406 555004218 /nfs/dbraw/zinc/00/42/18/555004218.db2.gz IEAMUZNPFWTGGW-MOPGFXCFSA-N 1 3 366.550 2.003 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000362973406 555004219 /nfs/dbraw/zinc/00/42/19/555004219.db2.gz IEAMUZNPFWTGGW-MOPGFXCFSA-N 1 3 366.550 2.003 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000363232468 555059702 /nfs/dbraw/zinc/05/97/02/555059702.db2.gz UUAMGOMYQLPQNK-UHFFFAOYSA-N 1 3 351.535 2.402 20 0 FEADHO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512311062 561899893 /nfs/dbraw/zinc/89/98/93/561899893.db2.gz VBKBIMHQZILFMT-SJORKVTESA-N 1 3 351.441 2.354 20 0 FEADHO C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512311062 561899894 /nfs/dbraw/zinc/89/98/94/561899894.db2.gz VBKBIMHQZILFMT-SJORKVTESA-N 1 3 351.441 2.354 20 0 FEADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CCCN(Cc4cccnc4)C3)[C@H]2C1 ZINC000365021580 555467022 /nfs/dbraw/zinc/46/70/22/555467022.db2.gz ZFGIXEZTUGHZRM-AQNXPRMDSA-N 1 3 371.529 2.029 20 0 FEADHO C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CCCN(Cc4cccnc4)C3)[C@H]2C1 ZINC000365021580 555467026 /nfs/dbraw/zinc/46/70/26/555467026.db2.gz ZFGIXEZTUGHZRM-AQNXPRMDSA-N 1 3 371.529 2.029 20 0 FEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000365458029 555580631 /nfs/dbraw/zinc/58/06/31/555580631.db2.gz VJWKRYROUSYIOZ-QZTJIDSGSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000365458029 555580634 /nfs/dbraw/zinc/58/06/34/555580634.db2.gz VJWKRYROUSYIOZ-QZTJIDSGSA-N 1 3 366.550 2.003 20 0 FEADHO O=C(NC[C@@H]1CCCN(CCCOc2ccc(F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000513205632 561929252 /nfs/dbraw/zinc/92/92/52/561929252.db2.gz FBXYWAZBCAITBU-QFBILLFUSA-N 1 3 363.477 2.175 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000365872692 555689105 /nfs/dbraw/zinc/68/91/05/555689105.db2.gz ATNZPMRPHUZQBZ-FGTMMUONSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000365872692 555689106 /nfs/dbraw/zinc/68/91/06/555689106.db2.gz ATNZPMRPHUZQBZ-FGTMMUONSA-N 1 3 366.550 2.002 20 0 FEADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+]C1Cc2ccccc2C1 ZINC000366231843 555787782 /nfs/dbraw/zinc/78/77/82/555787782.db2.gz GJRZAMXPJCGFFN-UHFFFAOYSA-N 1 3 353.514 2.127 20 0 FEADHO CC[C@@H](C)[C@@H](N)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366328755 555813720 /nfs/dbraw/zinc/81/37/20/555813720.db2.gz VWHRYOZONJOQEE-VQIMIIECSA-N 1 3 352.567 2.015 20 0 FEADHO CN1CCN(C(=O)c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000514096213 561960202 /nfs/dbraw/zinc/96/02/02/561960202.db2.gz VJBLCYPEXGCCLJ-NJDAHSKKSA-N 1 3 370.541 2.037 20 0 FEADHO CN1CCN(C(=O)c2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000514096213 561960203 /nfs/dbraw/zinc/96/02/03/561960203.db2.gz VJBLCYPEXGCCLJ-NJDAHSKKSA-N 1 3 370.541 2.037 20 0 FEADHO CN1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000514096213 561960204 /nfs/dbraw/zinc/96/02/04/561960204.db2.gz VJBLCYPEXGCCLJ-NJDAHSKKSA-N 1 3 370.541 2.037 20 0 FEADHO O=C(CCNC1CC[NH+](CCc2ccccc2)CC1)NCc1cccnc1 ZINC000515080734 561995596 /nfs/dbraw/zinc/99/55/96/561995596.db2.gz JQWUCGZTNMWUNT-UHFFFAOYSA-N 1 3 366.509 2.385 20 0 FEADHO COc1ncc([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000515346440 562006374 /nfs/dbraw/zinc/00/63/74/562006374.db2.gz ZEHTWEXNHZMYPI-JGFGOQIWSA-N 1 3 366.893 2.041 20 0 FEADHO CCN1CCN(CCC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000368839579 556426207 /nfs/dbraw/zinc/42/62/07/556426207.db2.gz WWUDUZVBVMLAPV-UHFFFAOYSA-N 1 3 364.578 2.129 20 0 FEADHO CCN1CCN(CCC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000368839579 556426211 /nfs/dbraw/zinc/42/62/11/556426211.db2.gz WWUDUZVBVMLAPV-UHFFFAOYSA-N 1 3 364.578 2.129 20 0 FEADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)C1 ZINC000369353976 556577808 /nfs/dbraw/zinc/57/78/08/556577808.db2.gz JSOWJKCJZUHAHQ-NRFANRHFSA-N 1 3 370.541 2.134 20 0 FEADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)C1 ZINC000369353976 556577811 /nfs/dbraw/zinc/57/78/11/556577811.db2.gz JSOWJKCJZUHAHQ-NRFANRHFSA-N 1 3 370.541 2.134 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000369747340 556684057 /nfs/dbraw/zinc/68/40/57/556684057.db2.gz AVEZYUDPSIPYRU-LJQANCHMSA-N 1 3 358.530 2.431 20 0 FEADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000369956685 556741032 /nfs/dbraw/zinc/74/10/32/556741032.db2.gz CZKHVQFCGBIUOU-UYWIDEMCSA-N 1 3 362.514 2.214 20 0 FEADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000369956685 556741035 /nfs/dbraw/zinc/74/10/35/556741035.db2.gz CZKHVQFCGBIUOU-UYWIDEMCSA-N 1 3 362.514 2.214 20 0 FEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1)[NH+]1CCCCC1 ZINC000370420918 556867910 /nfs/dbraw/zinc/86/79/10/556867910.db2.gz BPARPOBNSDZMPG-UXHICEINSA-N 1 3 364.578 2.124 20 0 FEADHO O=C(NC1CCN(CCc2ccncc2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000370778243 556965514 /nfs/dbraw/zinc/96/55/14/556965514.db2.gz DSZYOEFTXWWXBH-IHPCNDPISA-N 1 3 356.514 2.125 20 0 FEADHO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000371605457 557237165 /nfs/dbraw/zinc/23/71/65/557237165.db2.gz QEWNLMQIPBZPMK-RTBURBONSA-N 1 3 359.518 2.077 20 0 FEADHO CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000371605457 557237166 /nfs/dbraw/zinc/23/71/66/557237166.db2.gz QEWNLMQIPBZPMK-RTBURBONSA-N 1 3 359.518 2.077 20 0 FEADHO CC[N@H+](C)CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(OC)cc1 ZINC000371654419 557252752 /nfs/dbraw/zinc/25/27/52/557252752.db2.gz RMFQROXHBUFARP-MJGOQNOKSA-N 1 3 362.518 2.329 20 0 FEADHO CC[N@@H+](C)CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(OC)cc1 ZINC000371654419 557252754 /nfs/dbraw/zinc/25/27/54/557252754.db2.gz RMFQROXHBUFARP-MJGOQNOKSA-N 1 3 362.518 2.329 20 0 FEADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000371722648 557274887 /nfs/dbraw/zinc/27/48/87/557274887.db2.gz GFHAAFPBSVHNSF-XLIONFOSSA-N 1 3 374.529 2.232 20 0 FEADHO CN1CC[NH+](CC2(C)CCN(Cc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000371836294 557307331 /nfs/dbraw/zinc/30/73/31/557307331.db2.gz YEAJHEYMJHOBNE-UHFFFAOYSA-N 1 3 359.514 2.307 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1CCCN1CCc1ccccc1 ZINC000371858108 557312695 /nfs/dbraw/zinc/31/26/95/557312695.db2.gz GYOURFGNDZHSJZ-TZIWHRDSSA-N 1 3 370.541 2.477 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@H]1CCCN1CCc1ccccc1 ZINC000371858108 557312699 /nfs/dbraw/zinc/31/26/99/557312699.db2.gz GYOURFGNDZHSJZ-TZIWHRDSSA-N 1 3 370.541 2.477 20 0 FEADHO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000518403927 562110838 /nfs/dbraw/zinc/11/08/38/562110838.db2.gz YORQISSWYJBLME-IEBWSBKVSA-N 1 3 362.518 2.089 20 0 FEADHO COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000518403927 562110839 /nfs/dbraw/zinc/11/08/39/562110839.db2.gz YORQISSWYJBLME-IEBWSBKVSA-N 1 3 362.518 2.089 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@]12CCO[C@@H](C)C2 ZINC000371950630 557336962 /nfs/dbraw/zinc/33/69/62/557336962.db2.gz XFWCQDUQGRBIHM-HLNWXESRSA-N 1 3 351.535 2.066 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@]12CCO[C@@H](C)C2 ZINC000371950630 557336966 /nfs/dbraw/zinc/33/69/66/557336966.db2.gz XFWCQDUQGRBIHM-HLNWXESRSA-N 1 3 351.535 2.066 20 0 FEADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000518535789 562113930 /nfs/dbraw/zinc/11/39/30/562113930.db2.gz NJMZFEIFZLOGED-SJORKVTESA-N 1 3 366.509 2.374 20 0 FEADHO Fc1ccc(CCN2CCC([NH2+]C[C@H]3CN4CCC[C@@H]4CO3)CC2)cc1 ZINC000372065603 557371040 /nfs/dbraw/zinc/37/10/40/557371040.db2.gz QVDVNSOYTUSZCN-RTWAWAEBSA-N 1 3 361.505 2.285 20 0 FEADHO CCN1CCN(CCC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000372224551 557414564 /nfs/dbraw/zinc/41/45/64/557414564.db2.gz TVIKRHRVLGDSEX-UHFFFAOYSA-N 1 3 364.578 2.173 20 0 FEADHO Fc1ccc(-n2ccc(CCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000518959730 562121833 /nfs/dbraw/zinc/12/18/33/562121833.db2.gz IWKSHYICNLEFKW-XUVXKRRUSA-N 1 3 358.461 2.301 20 0 FEADHO CN1CC[C@@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@H]1c1cccs1 ZINC000372321769 557439055 /nfs/dbraw/zinc/43/90/55/557439055.db2.gz SYYCMZWMCUPCFU-ZOBUZTSGSA-N 1 3 350.532 2.334 20 0 FEADHO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cccc(OCCN(C)C)c1 ZINC000372781267 557561168 /nfs/dbraw/zinc/56/11/68/557561168.db2.gz MTEKQBWYTKRSBT-SJLPKXTDSA-N 1 3 357.502 2.290 20 0 FEADHO O[C@@H](C[NH2+]CC1CCN(c2ccncc2)CC1)COc1ccc(F)cc1 ZINC000520798578 562163902 /nfs/dbraw/zinc/16/39/02/562163902.db2.gz XFJGHPQIMSFGAK-IBGZPJMESA-N 1 3 359.445 2.467 20 0 FEADHO OCCOC1(C[NH2+]C2CCN(CC3CCCCC3)CC2)CCOCC1 ZINC000374375331 557874130 /nfs/dbraw/zinc/87/41/30/557874130.db2.gz ZVIDSKZZSDCTBZ-UHFFFAOYSA-N 1 3 354.535 2.179 20 0 FEADHO OCCOC1(CNC2CC[NH+](CC3CCCCC3)CC2)CCOCC1 ZINC000374375331 557874132 /nfs/dbraw/zinc/87/41/32/557874132.db2.gz ZVIDSKZZSDCTBZ-UHFFFAOYSA-N 1 3 354.535 2.179 20 0 FEADHO COC[C@H](C)OC[C@@H](O)CNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375470738 558033045 /nfs/dbraw/zinc/03/30/45/558033045.db2.gz OXBINEBVYCTUEB-OJAHFUOMSA-N 1 3 350.503 2.072 20 0 FEADHO COC[C@H](C)OC[C@@H](O)CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375470738 558033046 /nfs/dbraw/zinc/03/30/46/558033046.db2.gz OXBINEBVYCTUEB-OJAHFUOMSA-N 1 3 350.503 2.072 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000375967072 558106789 /nfs/dbraw/zinc/10/67/89/558106789.db2.gz AESLBCQTQSULBV-HNNXBMFYSA-N 1 3 351.441 2.245 20 0 FEADHO CC[NH+](CC)CCCNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376231472 558145260 /nfs/dbraw/zinc/14/52/60/558145260.db2.gz IHHPPNFNGRBFBX-OALUTQOASA-N 1 3 361.534 2.448 20 0 FEADHO C[C@@H]1CN(C[C@H](O)Cc2cccc(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000376519644 558184887 /nfs/dbraw/zinc/18/48/87/558184887.db2.gz REFRTBSHWBDXHE-AHRSYUTCSA-N 1 3 365.949 2.201 20 0 FEADHO CC(=O)[C@@H]1C[C@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000376893359 558235484 /nfs/dbraw/zinc/23/54/84/558235484.db2.gz CAMVCMWSEBVVAV-APWZRJJASA-N 1 3 363.546 2.303 20 0 FEADHO CCN1CCN([C@H](C)CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000377652005 558387257 /nfs/dbraw/zinc/38/72/57/558387257.db2.gz VHMGLFDISAIYPT-LJQANCHMSA-N 1 3 372.557 2.041 20 0 FEADHO CN1CC[NH+]([C@H]2CCCCN(Cc3ccnn3-c3ccccc3)C2)CC1 ZINC000377672746 558392829 /nfs/dbraw/zinc/39/28/29/558392829.db2.gz LZMCWMRAXZYGJX-FQEVSTJZSA-N 1 3 353.514 2.474 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H](C)N1CCO ZINC000378559182 558583145 /nfs/dbraw/zinc/58/31/45/558583145.db2.gz BDLBLQPOKAFENQ-RTBURBONSA-N 1 3 374.573 2.104 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CCC[C@H](C[NH+]3CCCCC3)C2)ccn1 ZINC000378574166 558586551 /nfs/dbraw/zinc/58/65/51/558586551.db2.gz GJQNAHFPMHEEDU-GOSISDBHSA-N 1 3 374.529 2.360 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000524349669 562227363 /nfs/dbraw/zinc/22/73/63/562227363.db2.gz ZLPNBCYYFUCXDO-PMACEKPBSA-N 1 3 359.514 2.126 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000524349669 562227364 /nfs/dbraw/zinc/22/73/64/562227364.db2.gz ZLPNBCYYFUCXDO-PMACEKPBSA-N 1 3 359.514 2.126 20 0 FEADHO CC(C)N1CCC([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000409449226 558692386 /nfs/dbraw/zinc/69/23/86/558692386.db2.gz QMSFFHLSVIFVPY-UHFFFAOYSA-N 1 3 353.532 2.242 20 0 FEADHO CC(C)N1CCC([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000409449226 558692389 /nfs/dbraw/zinc/69/23/89/558692389.db2.gz QMSFFHLSVIFVPY-UHFFFAOYSA-N 1 3 353.532 2.242 20 0 FEADHO CN(C)Cc1ccccc1CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000524794873 562235344 /nfs/dbraw/zinc/23/53/44/562235344.db2.gz LHMWCFLEWAMOBM-QFIPXVFZSA-N 1 3 367.493 2.001 20 0 FEADHO CN(C)Cc1ccccc1CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000524794873 562235345 /nfs/dbraw/zinc/23/53/45/562235345.db2.gz LHMWCFLEWAMOBM-QFIPXVFZSA-N 1 3 367.493 2.001 20 0 FEADHO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000524815317 562235620 /nfs/dbraw/zinc/23/56/20/562235620.db2.gz LTLSAPXDCBKFPE-HXUWFJFHSA-N 1 3 368.481 2.430 20 0 FEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411524028 558910457 /nfs/dbraw/zinc/91/04/57/558910457.db2.gz GYORPUJCFUVJDT-INIZCTEOSA-N 1 3 362.518 2.232 20 0 FEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411524028 558910459 /nfs/dbraw/zinc/91/04/59/558910459.db2.gz GYORPUJCFUVJDT-INIZCTEOSA-N 1 3 362.518 2.232 20 0 FEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000525775962 562254611 /nfs/dbraw/zinc/25/46/11/562254611.db2.gz ABBLKHWEKOCTKQ-PMACEKPBSA-N 1 3 358.530 2.484 20 0 FEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000525775962 562254612 /nfs/dbraw/zinc/25/46/12/562254612.db2.gz ABBLKHWEKOCTKQ-PMACEKPBSA-N 1 3 358.530 2.484 20 0 FEADHO CO[C@H]1c2ccccc2C[C@H]1NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000411893363 558984077 /nfs/dbraw/zinc/98/40/77/558984077.db2.gz NJHWNODXCOWRAQ-SJBKTWHCSA-N 1 3 367.493 2.308 20 0 FEADHO COc1ccc2[nH+]c3c(c(NC[C@@H]4CN(C)CCN4C)c2c1)CCCC3 ZINC000413148240 559082793 /nfs/dbraw/zinc/08/27/93/559082793.db2.gz SDSGGVXXDGPRCK-OAHLLOKOSA-N 1 3 354.498 2.202 20 0 FEADHO COC[C@H](C)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000526123969 562267666 /nfs/dbraw/zinc/26/76/66/562267666.db2.gz QZMQQDQWOGHXCL-GOSISDBHSA-N 1 3 361.530 2.229 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)[C@](C)(OC)C1CC1 ZINC000413692039 559125241 /nfs/dbraw/zinc/12/52/41/559125241.db2.gz OOMHKHAVBGYEFO-HQRMLTQVSA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)[C@](C)(OC)C1CC1 ZINC000413692039 559125242 /nfs/dbraw/zinc/12/52/42/559125242.db2.gz OOMHKHAVBGYEFO-HQRMLTQVSA-N 1 3 368.566 2.248 20 0 FEADHO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)cn1 ZINC000414117463 559149793 /nfs/dbraw/zinc/14/97/93/559149793.db2.gz ZLVKUIBEFJCVFT-JXFKEZNVSA-N 1 3 355.482 2.378 20 0 FEADHO CN1CCC(C[NH2+][C@@H]2CCCNc3ccccc32)(N2CCOCC2)CC1 ZINC000414182395 559151661 /nfs/dbraw/zinc/15/16/61/559151661.db2.gz DEMGSSJOWXWKCN-HXUWFJFHSA-N 1 3 358.530 2.320 20 0 FEADHO CN1CCC(C[NH2+][C@@H]2CCCOc3ccccc32)(N2CCOCC2)CC1 ZINC000414191979 559152424 /nfs/dbraw/zinc/15/24/24/559152424.db2.gz LRLGIFZXXIAICS-LJQANCHMSA-N 1 3 359.514 2.287 20 0 FEADHO COc1cccc2c1CC[C@@H]2[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414193436 559152527 /nfs/dbraw/zinc/15/25/27/559152527.db2.gz MXHWWLUYVQVDCX-IBGZPJMESA-N 1 3 359.514 2.069 20 0 FEADHO CSCC1CCC([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CC1 ZINC000414206342 559153063 /nfs/dbraw/zinc/15/30/63/559153063.db2.gz YHEKZCHCEYDPII-UHFFFAOYSA-N 1 3 355.592 2.294 20 0 FEADHO C[C@H](NCC1(CS(C)(=O)=O)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000414336830 559157122 /nfs/dbraw/zinc/15/71/22/559157122.db2.gz WWOGYSMWUUANSE-INIZCTEOSA-N 1 3 368.543 2.493 20 0 FEADHO C[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414680134 559179167 /nfs/dbraw/zinc/17/91/67/559179167.db2.gz SRMSKUNPPCCAMA-AWEZNQCLSA-N 1 3 354.292 2.078 20 0 FEADHO C[N@H+](Cc1cccc(Br)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414680134 559179168 /nfs/dbraw/zinc/17/91/68/559179168.db2.gz SRMSKUNPPCCAMA-AWEZNQCLSA-N 1 3 354.292 2.078 20 0 FEADHO CC1CCC(OC2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)CC1 ZINC000414730782 559183058 /nfs/dbraw/zinc/18/30/58/559183058.db2.gz ATAXUSYLHHSBIC-ADKAHSJRSA-N 1 3 351.535 2.243 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@](C)(C[NH3+])C3)c(C)c2)CC1 ZINC000414746976 559184592 /nfs/dbraw/zinc/18/45/92/559184592.db2.gz GKIIKXUYELGBOY-FQEVSTJZSA-N 1 3 359.518 2.340 20 0 FEADHO COc1ccc(-c2n[nH]cc2CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414796141 559188068 /nfs/dbraw/zinc/18/80/68/559188068.db2.gz XGUIFWWQIGAOOP-QGZVFWFLSA-N 1 3 356.470 2.273 20 0 FEADHO COc1cc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1SC ZINC000414968022 559197664 /nfs/dbraw/zinc/19/76/64/559197664.db2.gz FIWIOOLMHJLVAV-OAHLLOKOSA-N 1 3 363.449 2.343 20 0 FEADHO Fc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2ncccc12 ZINC000414966653 559197701 /nfs/dbraw/zinc/19/77/01/559197701.db2.gz DODBNEYEHUFXCI-OAHLLOKOSA-N 1 3 356.367 2.300 20 0 FEADHO CN(c1ccccc1CN[C@H]1CNCCC1(F)F)C1CC[NH+](C)CC1 ZINC000415002485 559199922 /nfs/dbraw/zinc/19/99/22/559199922.db2.gz NMAKGNXSALPWQN-SFHVURJKSA-N 1 3 352.473 2.304 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(CCN(C)C)C2CCCC2)c1 ZINC000415076372 559204089 /nfs/dbraw/zinc/20/40/89/559204089.db2.gz GIUATPKKFQWKDP-UHFFFAOYSA-N 1 3 360.502 2.067 20 0 FEADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N(CCN(C)C)CC2CCCCC2)c1 ZINC000415105874 559205499 /nfs/dbraw/zinc/20/54/99/559205499.db2.gz GSNANIMYNYZCMD-UHFFFAOYSA-N 1 3 374.529 2.315 20 0 FEADHO COc1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc(OC)c1O ZINC000415107772 559205547 /nfs/dbraw/zinc/20/55/47/559205547.db2.gz LPBYOZQCUPKLND-KXBFYZLASA-N 1 3 350.459 2.128 20 0 FEADHO [NH3+]Cc1cn([C@@H]2CCCN(Cc3cccc(OC(F)(F)F)c3)C2)nn1 ZINC000415134254 559207205 /nfs/dbraw/zinc/20/72/05/559207205.db2.gz VVDBLEKMDNROKV-CQSZACIVSA-N 1 3 355.364 2.473 20 0 FEADHO Cc1cc(C)c(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1C ZINC000415134021 559207208 /nfs/dbraw/zinc/20/72/08/559207208.db2.gz DGCLPDPMZXRFGD-UXHICEINSA-N 1 3 356.514 2.332 20 0 FEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1)N(C)C ZINC000415154875 559209755 /nfs/dbraw/zinc/20/97/55/559209755.db2.gz BSTCITHMPKFPHT-DNVCBOLYSA-N 1 3 368.481 2.200 20 0 FEADHO C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000415362545 559227703 /nfs/dbraw/zinc/22/77/03/559227703.db2.gz VSLDAFBMCMQMSJ-SJLPKXTDSA-N 1 3 372.513 2.115 20 0 FEADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000415444222 559237517 /nfs/dbraw/zinc/23/75/17/559237517.db2.gz OGROILXKQGZVRB-SJLPKXTDSA-N 1 3 372.513 2.197 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)ccc1CN(C)C ZINC000415500395 559243988 /nfs/dbraw/zinc/24/39/88/559243988.db2.gz VOOMNQJFVBUHCD-HNNXBMFYSA-N 1 3 368.481 2.331 20 0 FEADHO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000415799491 559272224 /nfs/dbraw/zinc/27/22/24/559272224.db2.gz CEYBPZFASJXZGA-WMZOPIPTSA-N 1 3 372.513 2.245 20 0 FEADHO [NH3+]Cc1cc(NC(=O)NC[C@@H]2CCCCN2CCO)cc(C(F)(F)F)c1 ZINC000415965646 559285501 /nfs/dbraw/zinc/28/55/01/559285501.db2.gz FFFCIOAIPZEBIX-HNNXBMFYSA-N 1 3 374.407 2.132 20 0 FEADHO CC[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)N1CCc2ccccc2C1 ZINC000415990908 559287530 /nfs/dbraw/zinc/28/75/30/559287530.db2.gz DUDUXCGJFIPLAE-JKSUJKDBSA-N 1 3 372.435 2.402 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416018965 559289421 /nfs/dbraw/zinc/28/94/21/559289421.db2.gz ZNDAGCFUVGPJBX-FVQBIDKESA-N 1 3 372.435 2.476 20 0 FEADHO COc1ccc([C@H](CNC(=O)NCCC[NH2+]C2CC2)N2CCCC2)cc1 ZINC000416831436 559334377 /nfs/dbraw/zinc/33/43/77/559334377.db2.gz VOCRIVXXBLKWJN-IBGZPJMESA-N 1 3 360.502 2.273 20 0 FEADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000416838076 559334524 /nfs/dbraw/zinc/33/45/24/559334524.db2.gz IRXDPHAQBACACO-PMACEKPBSA-N 1 3 356.514 2.435 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000416840529 559334684 /nfs/dbraw/zinc/33/46/84/559334684.db2.gz FQYNJTIPINXMDG-VQIMIIECSA-N 1 3 360.502 2.131 20 0 FEADHO O=C(NCc1ccccc1CN1CCCCC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000416910863 559337723 /nfs/dbraw/zinc/33/77/23/559337723.db2.gz ZUXSLIFCXRIRRE-QUCCMNQESA-N 1 3 356.514 2.423 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)c1cccc(OC)c1 ZINC000416918715 559338393 /nfs/dbraw/zinc/33/83/93/559338393.db2.gz JEOWNDAIPRBADX-AZUAARDMSA-N 1 3 362.518 2.458 20 0 FEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000416969133 559340822 /nfs/dbraw/zinc/34/08/22/559340822.db2.gz KFXCNCMDXOMEHM-GOSISDBHSA-N 1 3 350.507 2.142 20 0 FEADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000416972930 559341171 /nfs/dbraw/zinc/34/11/71/559341171.db2.gz JFFYFOBJMSPCRC-IBGZPJMESA-N 1 3 358.530 2.335 20 0 FEADHO CC[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)N1CCc2ccccc2C1 ZINC000417005665 559343269 /nfs/dbraw/zinc/34/32/69/559343269.db2.gz DUYRQJVYVAUHQO-HZPDHXFCSA-N 1 3 354.445 2.105 20 0 FEADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417088386 559347179 /nfs/dbraw/zinc/34/71/79/559347179.db2.gz KJLSQCCULPKDCA-FPOVZHCZSA-N 1 3 356.514 2.436 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417354982 559358837 /nfs/dbraw/zinc/35/88/37/559358837.db2.gz AIXZYTVJPYWMIU-GVDBMIGSSA-N 1 3 362.543 2.211 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000417489807 559364264 /nfs/dbraw/zinc/36/42/64/559364264.db2.gz GFBRSBHCGFCVBV-AABGKKOBSA-N 1 3 374.529 2.089 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000417498275 559364608 /nfs/dbraw/zinc/36/46/08/559364608.db2.gz CQZFWIFNQKIIAH-FHWLQOOXSA-N 1 3 362.518 2.123 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000417503742 559365050 /nfs/dbraw/zinc/36/50/50/559365050.db2.gz DNNSSJYFPLASSK-DFNIBXOVSA-N 1 3 374.529 2.094 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)NC1CCC([NH3+])CC1)c1ccccc1 ZINC000417514336 559365419 /nfs/dbraw/zinc/36/54/19/559365419.db2.gz JHWFKRBQZCQXOB-ACBHZAAOSA-N 1 3 362.518 2.265 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000417514666 559365527 /nfs/dbraw/zinc/36/55/27/559365527.db2.gz JXIRCIZUOFVVFM-UYAOXDASSA-N 1 3 362.518 2.076 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000417518134 559365795 /nfs/dbraw/zinc/36/57/95/559365795.db2.gz RTSDWFUXGZKOEW-UHOSZYNNSA-N 1 3 362.518 2.075 20 0 FEADHO CCCN(C(=O)NCC(C)(C)N1CCC(OC)CC1)C1CC[NH2+]CC1 ZINC000417546822 559366548 /nfs/dbraw/zinc/36/65/48/559366548.db2.gz NDSSCMRNYBOACS-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)[C@@H](C)CN1 ZINC000417622904 559369476 /nfs/dbraw/zinc/36/94/76/559369476.db2.gz HXXFQDRASWIECV-CVEARBPZSA-N 1 3 354.564 2.130 20 0 FEADHO CC[NH+]1CCC(NC(=O)Nc2ccc(OCCN(C)C)c(OC)c2)CC1 ZINC000417644371 559370006 /nfs/dbraw/zinc/37/00/06/559370006.db2.gz AKCCNEFWCXABLQ-UHFFFAOYSA-N 1 3 364.490 2.241 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000417670655 559371620 /nfs/dbraw/zinc/37/16/20/559371620.db2.gz OQHRLSMZRFDNNC-OXJNMPFZSA-N 1 3 374.529 2.226 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000417670655 559371621 /nfs/dbraw/zinc/37/16/21/559371621.db2.gz OQHRLSMZRFDNNC-OXJNMPFZSA-N 1 3 374.529 2.226 20 0 FEADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000417679077 559372003 /nfs/dbraw/zinc/37/20/03/559372003.db2.gz GYLZZDLUZACTME-APWZRJJASA-N 1 3 358.530 2.450 20 0 FEADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417680835 559372229 /nfs/dbraw/zinc/37/22/29/559372229.db2.gz JISUJRZLESRCGP-OALUTQOASA-N 1 3 358.530 2.496 20 0 FEADHO C[C@@H](CC[NH3+])NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000417820238 559377588 /nfs/dbraw/zinc/37/75/88/559377588.db2.gz HAMVLCJKILUXID-KRWDZBQOSA-N 1 3 362.518 2.094 20 0 FEADHO O=C(NCCCOC1CCN(Cc2ccccc2)CC1)NC1CC[NH2+]CC1 ZINC000417820735 559377651 /nfs/dbraw/zinc/37/76/51/559377651.db2.gz HSBBGPXJQMKGKO-UHFFFAOYSA-N 1 3 374.529 2.109 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417825292 559377869 /nfs/dbraw/zinc/37/78/69/559377869.db2.gz MYOFCADQXLYVKL-KBMXLJTQSA-N 1 3 354.445 2.179 20 0 FEADHO CO[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)[C@H](C[NH3+])C1 ZINC000417826486 559377937 /nfs/dbraw/zinc/37/79/37/559377937.db2.gz OPHYYGBIXGWECC-GSEOLPGOSA-N 1 3 374.529 2.045 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417829423 559378193 /nfs/dbraw/zinc/37/81/93/559378193.db2.gz RBCNLKCXVDOTTR-LMNJBCLMSA-N 1 3 356.514 2.292 20 0 FEADHO O=C(NCCCOC1CCN(Cc2ccccc2)CC1)N[C@@H]1CCC[NH2+]C1 ZINC000417828964 559378260 /nfs/dbraw/zinc/37/82/60/559378260.db2.gz QUZODZUUHIXJRB-LJQANCHMSA-N 1 3 374.529 2.109 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)C1CC1 ZINC000418152517 559392013 /nfs/dbraw/zinc/39/20/13/559392013.db2.gz UBWWMYAJKTYUSO-SLFFLAALSA-N 1 3 356.514 2.148 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)C1CC1 ZINC000418152518 559392051 /nfs/dbraw/zinc/39/20/51/559392051.db2.gz UBWWMYAJKTYUSO-VAMGGRTRSA-N 1 3 356.514 2.148 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)N(C)C)cc1 ZINC000418195317 559393670 /nfs/dbraw/zinc/39/36/70/559393670.db2.gz GVHKWVDMQCRQRX-IPELMVKDSA-N 1 3 362.518 2.374 20 0 FEADHO C[NH2+][C@H]1CCCN(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000418202506 559393850 /nfs/dbraw/zinc/39/38/50/559393850.db2.gz IYNIQWPWLWMRDD-HKUYNNGSSA-N 1 3 362.518 2.470 20 0 FEADHO CCc1ccc([C@@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)N(CC)CC)cc1 ZINC000418218350 559394305 /nfs/dbraw/zinc/39/43/05/559394305.db2.gz QQZIDZGQIDRQHW-RTBURBONSA-N 1 3 362.518 2.001 20 0 FEADHO C[NH2+][C@H]1CCCN(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000418234740 559394886 /nfs/dbraw/zinc/39/48/86/559394886.db2.gz QXDQEDYGDMZVLR-DOTOQJQBSA-N 1 3 350.532 2.405 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)N(C)C)cc1 ZINC000418231369 559394903 /nfs/dbraw/zinc/39/49/03/559394903.db2.gz LEEZCPXUTWWONS-ZQIUZPCESA-N 1 3 350.532 2.403 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@H](C)NC[C@@H]2C)[NH+](C)C)cc1 ZINC000418231369 559394904 /nfs/dbraw/zinc/39/49/04/559394904.db2.gz LEEZCPXUTWWONS-ZQIUZPCESA-N 1 3 350.532 2.403 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)N(C)C)cc1 ZINC000418236279 559394979 /nfs/dbraw/zinc/39/49/79/559394979.db2.gz UQJQFJRQXVAYKX-KEYYUXOJSA-N 1 3 350.532 2.390 20 0 FEADHO [NH3+]CCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000418300308 559396854 /nfs/dbraw/zinc/39/68/54/559396854.db2.gz XPDCXDVYNQTMHO-VQTJNVASSA-N 1 3 370.472 2.442 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418325162 559397466 /nfs/dbraw/zinc/39/74/66/559397466.db2.gz WPKNSQVUFYXNPK-OAHLLOKOSA-N 1 3 354.445 2.038 20 0 FEADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000418332680 559397896 /nfs/dbraw/zinc/39/78/96/559397896.db2.gz DLEABCUVLMLMTO-RDJZCZTQSA-N 1 3 350.482 2.287 20 0 FEADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000418335507 559398089 /nfs/dbraw/zinc/39/80/89/559398089.db2.gz HJYTUSVTBLMXJD-DOTOQJQBSA-N 1 3 350.482 2.287 20 0 FEADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418346154 559398443 /nfs/dbraw/zinc/39/84/43/559398443.db2.gz CCPFUQIJEDQHHE-HNNXBMFYSA-N 1 3 358.408 2.141 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000418347755 559398561 /nfs/dbraw/zinc/39/85/61/559398561.db2.gz NSPHHZWKLQZASV-KRWDZBQOSA-N 1 3 362.518 2.158 20 0 FEADHO O=C(N[C@@H]1CCCC[NH2+]C1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418365927 559399264 /nfs/dbraw/zinc/39/92/64/559399264.db2.gz INASQFAHSUJZRN-HSALFYBXSA-N 1 3 356.514 2.292 20 0 FEADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)Cc2ccccn2)cc1 ZINC000418470106 559402875 /nfs/dbraw/zinc/40/28/75/559402875.db2.gz UUDOLBSQPSQQME-MRXNPFEDSA-N 1 3 355.486 2.375 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418567158 559406586 /nfs/dbraw/zinc/40/65/86/559406586.db2.gz GHRDSFLAPNXLDP-CXAGYDPISA-N 1 3 354.445 2.036 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000418630417 559408525 /nfs/dbraw/zinc/40/85/25/559408525.db2.gz FOZDIMTUBFRMPV-AZUAARDMSA-N 1 3 374.529 2.016 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000418662635 559410301 /nfs/dbraw/zinc/41/03/01/559410301.db2.gz DRBNTDIOPKRPIH-GPMSIDNRSA-N 1 3 362.518 2.362 20 0 FEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CNCCC3(F)F)C2)CC1 ZINC000418748206 559413822 /nfs/dbraw/zinc/41/38/22/559413822.db2.gz KKTYNKXWHHVBOD-JKSUJKDBSA-N 1 3 358.477 2.137 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418763160 559414612 /nfs/dbraw/zinc/41/46/12/559414612.db2.gz HSJGWYQPWXXUPD-SFHVURJKSA-N 1 3 350.482 2.431 20 0 FEADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCCOC1CCCCC1 ZINC000420325469 559480530 /nfs/dbraw/zinc/48/05/30/559480530.db2.gz IKXJJTKVKLIVIY-ZWKOTPCHSA-N 1 3 351.535 2.164 20 0 FEADHO CN(CCCOc1cccc(S(C)(=O)=O)c1)CC[C@@H]1CCC[NH2+]C1 ZINC000420325757 559480609 /nfs/dbraw/zinc/48/06/09/559480609.db2.gz WUANBFTVQIIUKK-INIZCTEOSA-N 1 3 354.516 2.181 20 0 FEADHO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335969 559481481 /nfs/dbraw/zinc/48/14/81/559481481.db2.gz IHAIPHVXVBEUSO-PMPSAXMXSA-N 1 3 359.470 2.106 20 0 FEADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420344936 559482132 /nfs/dbraw/zinc/48/21/32/559482132.db2.gz VBUQDNAVSFHNJZ-IAGOWNOFSA-N 1 3 358.486 2.273 20 0 FEADHO COC(=O)c1cccc(OCCN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420371319 559483820 /nfs/dbraw/zinc/48/38/20/559483820.db2.gz DCJHQNGTGNOLIE-MOPGFXCFSA-N 1 3 362.470 2.070 20 0 FEADHO NCc1cn([C@H]2CCC[N@H+](CCCc3nc(-c4ccccc4)no3)C2)nn1 ZINC000420384754 559484375 /nfs/dbraw/zinc/48/43/75/559484375.db2.gz SBKTXGFFXRIGIC-KRWDZBQOSA-N 1 3 367.457 2.057 20 0 FEADHO NCc1cn([C@H]2CCC[N@@H+](CCCc3nc(-c4ccccc4)no3)C2)nn1 ZINC000420384754 559484376 /nfs/dbraw/zinc/48/43/76/559484376.db2.gz SBKTXGFFXRIGIC-KRWDZBQOSA-N 1 3 367.457 2.057 20 0 FEADHO C[C@H]1CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H]1C[NH3+] ZINC000420413239 559486540 /nfs/dbraw/zinc/48/65/40/559486540.db2.gz SVKBMXXEIVHSRC-JKSUJKDBSA-N 1 3 358.486 2.059 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000421292840 559536396 /nfs/dbraw/zinc/53/63/96/559536396.db2.gz CCXQHYGKCVAPLV-GOSISDBHSA-N 1 3 360.502 2.020 20 0 FEADHO C[C@@H]1CCCN(S(=O)(=O)c2ccc(CN[C@H]3CCC[C@@H]3C[NH3+])cc2)C1 ZINC000422697709 559603296 /nfs/dbraw/zinc/60/32/96/559603296.db2.gz VTYIDZDGYWZUGE-SUMDDJOVSA-N 1 3 365.543 2.324 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422700759 559603342 /nfs/dbraw/zinc/60/33/42/559603342.db2.gz AOODPZPYESPMTD-CSFVBSKPSA-N 1 3 368.319 2.370 20 0 FEADHO C(N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCCC1 ZINC000422700812 559603385 /nfs/dbraw/zinc/60/33/85/559603385.db2.gz ASLLGIUGVLCFSK-GBESFXJTSA-N 1 3 367.603 2.485 20 0 FEADHO CCN1CCN(C[C@H](C)CN[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422711520 559604026 /nfs/dbraw/zinc/60/40/26/559604026.db2.gz HBMUIGULEXEBBF-QIJUGHKUSA-N 1 3 374.573 2.352 20 0 FEADHO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000422777648 559606318 /nfs/dbraw/zinc/60/63/18/559606318.db2.gz COZWUWKFQAJIOA-GVDBMIGSSA-N 1 3 362.518 2.142 20 0 FEADHO O=C1NC2(CCCC2)C(=O)N1CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422777648 559606319 /nfs/dbraw/zinc/60/63/19/559606319.db2.gz COZWUWKFQAJIOA-GVDBMIGSSA-N 1 3 362.518 2.142 20 0 FEADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000422839045 559608144 /nfs/dbraw/zinc/60/81/44/559608144.db2.gz PPIZHPCNURZDEG-XLIONFOSSA-N 1 3 374.573 2.161 20 0 FEADHO CCN1CCN([C@H](C)CN[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422866874 559609020 /nfs/dbraw/zinc/60/90/20/559609020.db2.gz RAZHFXNDZKVUBT-DUXKGJEZSA-N 1 3 360.546 2.104 20 0 FEADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)COc1ccc2c(c1)OCO2 ZINC000422903273 559610615 /nfs/dbraw/zinc/61/06/15/559610615.db2.gz VWUNNMJAMVFVJI-VDHUWJSZSA-N 1 3 362.470 2.055 20 0 FEADHO CN(C)CCNC(=O)c1ccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422914806 559611296 /nfs/dbraw/zinc/61/12/96/559611296.db2.gz WBOPLBYNWQNYGY-UXHICEINSA-N 1 3 352.482 2.212 20 0 FEADHO CCOC(=O)C1([C@H](C)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)CC[NH2+]CC1 ZINC000422920168 559611359 /nfs/dbraw/zinc/61/13/59/559611359.db2.gz LSHLNZHLCRSBFS-BQFCYCMXSA-N 1 3 373.497 2.091 20 0 FEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422918993 559611374 /nfs/dbraw/zinc/61/13/74/559611374.db2.gz JJBFHWKHACRYTN-UFGOTCBOSA-N 1 3 367.799 2.475 20 0 FEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H](O)COc1ccccc1Br ZINC000422934386 559612011 /nfs/dbraw/zinc/61/20/11/559612011.db2.gz FOXXWUMSEJMDSV-YDHLFZDLSA-N 1 3 357.292 2.296 20 0 FEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1Br ZINC000422934386 559612012 /nfs/dbraw/zinc/61/20/12/559612012.db2.gz FOXXWUMSEJMDSV-YDHLFZDLSA-N 1 3 357.292 2.296 20 0 FEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423062151 559617005 /nfs/dbraw/zinc/61/70/05/559617005.db2.gz MHOHBAUBQXXJMG-SJLPKXTDSA-N 1 3 372.513 2.179 20 0 FEADHO Cc1cc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])ccc1I ZINC000423092363 559618599 /nfs/dbraw/zinc/61/85/99/559618599.db2.gz BNOPTSQDJZIEHZ-NJZAAPMLSA-N 1 3 374.266 2.442 20 0 FEADHO COc1ccc([C@H](NCCN2CCN(C)C(C)(C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423099192 559618965 /nfs/dbraw/zinc/61/89/65/559618965.db2.gz LRYKVNRWVLZLNL-PMACEKPBSA-N 1 3 360.546 2.104 20 0 FEADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(N2CCNCC2)cn1 ZINC000423231478 559623328 /nfs/dbraw/zinc/62/33/28/559623328.db2.gz LGYPJAGWWLJNOY-PXNSSMCTSA-N 1 3 351.498 2.424 20 0 FEADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(N2CCNCC2)cn1 ZINC000423231478 559623329 /nfs/dbraw/zinc/62/33/29/559623329.db2.gz LGYPJAGWWLJNOY-PXNSSMCTSA-N 1 3 351.498 2.424 20 0 FEADHO CC(C)(C(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@@H](N)c1ccccc1 ZINC000423369937 559626917 /nfs/dbraw/zinc/62/69/17/559626917.db2.gz CSXJCOVIDOAKFE-SFHVURJKSA-N 1 3 359.514 2.474 20 0 FEADHO COC[C@]1(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]C1 ZINC000423405708 559628064 /nfs/dbraw/zinc/62/80/64/559628064.db2.gz ZJRLNRBNRWZSJO-QFUCXCTJSA-N 1 3 359.514 2.124 20 0 FEADHO CC(C)[C@@H](C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)[C@@H](C)[NH3+] ZINC000423439341 559629095 /nfs/dbraw/zinc/62/90/95/559629095.db2.gz WIDUJDREOOAZHJ-YWTNHNAXSA-N 1 3 353.551 2.344 20 0 FEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000423743409 559637820 /nfs/dbraw/zinc/63/78/20/559637820.db2.gz MEYAWDUMIJAFRT-QGZVFWFLSA-N 1 3 355.486 2.211 20 0 FEADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000423760382 559638644 /nfs/dbraw/zinc/63/86/44/559638644.db2.gz NCTDNCBXDUTPBL-SQGPQFPESA-N 1 3 351.535 2.242 20 0 FEADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000423760382 559638645 /nfs/dbraw/zinc/63/86/45/559638645.db2.gz NCTDNCBXDUTPBL-SQGPQFPESA-N 1 3 351.535 2.242 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000423838463 559642018 /nfs/dbraw/zinc/64/20/18/559642018.db2.gz CGDBLZVHBCJEAW-JXFKEZNVSA-N 1 3 352.482 2.466 20 0 FEADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000423889918 559644149 /nfs/dbraw/zinc/64/41/49/559644149.db2.gz IEEQALSHKPVGAB-WMZOPIPTSA-N 1 3 363.527 2.043 20 0 FEADHO N[C@@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@H]1c1cccc(F)c1 ZINC000424010501 559650902 /nfs/dbraw/zinc/65/09/02/559650902.db2.gz LBVAKJAGHLUJND-VQTJNVASSA-N 1 3 353.441 2.081 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)Nc2ccc(OC[C@H](O)CN(C)C)cc2)c1 ZINC000424442984 559665120 /nfs/dbraw/zinc/66/51/20/559665120.db2.gz YYTHZSDJQYRRTL-GOSISDBHSA-N 1 3 372.469 2.399 20 0 FEADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])N2CCCC2)c1 ZINC000424452929 559665596 /nfs/dbraw/zinc/66/55/96/559665596.db2.gz IYWDZRSDSXCNHR-QRVBRYPASA-N 1 3 360.502 2.401 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000424467467 559666429 /nfs/dbraw/zinc/66/64/29/559666429.db2.gz MZUGKIBGZALNOT-BEFAXECRSA-N 1 3 368.481 2.200 20 0 FEADHO O=C(NCC[C@@H]1CCC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424476241 559666787 /nfs/dbraw/zinc/66/67/87/559666787.db2.gz KNCVGKNPXBFGOQ-YSIASYRMSA-N 1 3 356.514 2.292 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](n3ccnn3)C2)CC1 ZINC000425358140 559698235 /nfs/dbraw/zinc/69/82/35/559698235.db2.gz ZIIDWSILKUVVEC-LJQANCHMSA-N 1 3 354.502 2.257 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](n3ccnn3)C2)CC1 ZINC000425358140 559698236 /nfs/dbraw/zinc/69/82/36/559698236.db2.gz ZIIDWSILKUVVEC-LJQANCHMSA-N 1 3 354.502 2.257 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425747222 559717409 /nfs/dbraw/zinc/71/74/09/559717409.db2.gz VHOHOWHJUCENSC-GSEOLPGOSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425747222 559717410 /nfs/dbraw/zinc/71/74/10/559717410.db2.gz VHOHOWHJUCENSC-GSEOLPGOSA-N 1 3 356.514 2.243 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000427268357 559751821 /nfs/dbraw/zinc/75/18/21/559751821.db2.gz ARYSRORYNHHZCX-LJQANCHMSA-N 1 3 358.530 2.013 20 0 FEADHO CC[NH+]1CCN(c2ccccc2CN2CCC(O)(C(F)F)CC2)CC1 ZINC000428470873 559776166 /nfs/dbraw/zinc/77/61/66/559776166.db2.gz STVFTBSYCIYBAM-UHFFFAOYSA-N 1 3 353.457 2.421 20 0 FEADHO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000428796538 559783435 /nfs/dbraw/zinc/78/34/35/559783435.db2.gz YVFHDWSNUSDRQX-JOCHJYFZSA-N 1 3 373.541 2.219 20 0 FEADHO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000428796538 559783436 /nfs/dbraw/zinc/78/34/36/559783436.db2.gz YVFHDWSNUSDRQX-JOCHJYFZSA-N 1 3 373.541 2.219 20 0 FEADHO C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c(OC)c1 ZINC000429036553 559789565 /nfs/dbraw/zinc/78/95/65/559789565.db2.gz QMFHIWPBDAYEQV-MJDPLZIPSA-N 1 3 360.498 2.496 20 0 FEADHO C/C=C\c1ccc(OC[C@H](O)C[N@H+]2CC[C@]3(CCN(C)C3)C2)c(OC)c1 ZINC000429036553 559789566 /nfs/dbraw/zinc/78/95/66/559789566.db2.gz QMFHIWPBDAYEQV-MJDPLZIPSA-N 1 3 360.498 2.496 20 0 FEADHO COCC[C@]1(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000431008061 559832220 /nfs/dbraw/zinc/83/22/20/559832220.db2.gz RBFOTTUTGCMXIY-GHTZIAJQSA-N 1 3 359.514 2.126 20 0 FEADHO COCC[C@]1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[NH2+]C1 ZINC000431056372 559833215 /nfs/dbraw/zinc/83/32/15/559833215.db2.gz CGOONUKBEHJUNX-TZIWHRDSSA-N 1 3 359.514 2.174 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H](CO)C(C)(C)C)CC1 ZINC000432809506 559865320 /nfs/dbraw/zinc/86/53/20/559865320.db2.gz XMAWJELNMXRAFT-LJQANCHMSA-N 1 3 361.530 2.072 20 0 FEADHO COc1cc(CN2CC[C@H]([C@H](C)O)C2)cc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1 ZINC000432866124 559866562 /nfs/dbraw/zinc/86/65/62/559866562.db2.gz NISQXOZWMKAEBQ-FVCZOJIISA-N 1 3 362.514 2.101 20 0 FEADHO COc1cc(CN2CC[C@H]([C@H](C)O)C2)cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1 ZINC000432866124 559866563 /nfs/dbraw/zinc/86/65/63/559866563.db2.gz NISQXOZWMKAEBQ-FVCZOJIISA-N 1 3 362.514 2.101 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000432865473 559866658 /nfs/dbraw/zinc/86/66/58/559866658.db2.gz IQKKJLCQDDCGIR-UHFFFAOYSA-N 1 3 353.532 2.291 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000432865473 559866659 /nfs/dbraw/zinc/86/66/59/559866659.db2.gz IQKKJLCQDDCGIR-UHFFFAOYSA-N 1 3 353.532 2.291 20 0 FEADHO C[C@H](CCNC(=O)NCCCN1CCCO[C@H](C)C1)[NH+]1CCCCC1 ZINC000433409420 559880486 /nfs/dbraw/zinc/88/04/86/559880486.db2.gz HHLZFBWVTALVMU-QZTJIDSGSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433409866 559880518 /nfs/dbraw/zinc/88/05/18/559880518.db2.gz JCHXBMUFTJAXLW-ZWKOTPCHSA-N 1 3 354.539 2.051 20 0 FEADHO CCNC(=O)COc1ccc(CN2CCC(CC[NH2+]C)CC2)cc1OC ZINC000435372619 559921583 /nfs/dbraw/zinc/92/15/83/559921583.db2.gz KKRLIYHZESZSDR-UHFFFAOYSA-N 1 3 363.502 2.032 20 0 FEADHO Cn1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000435382140 559921812 /nfs/dbraw/zinc/92/18/12/559921812.db2.gz ZSTBVAGQTFDTFW-SZMVWBNQSA-N 1 3 368.481 2.418 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccnn2CCN(C)C)CC1 ZINC000436490002 559942988 /nfs/dbraw/zinc/94/29/88/559942988.db2.gz RHXTZEJWWOKPIX-UHFFFAOYSA-N 1 3 364.538 2.421 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccnn2CCN(C)C)CC1 ZINC000436490002 559942989 /nfs/dbraw/zinc/94/29/89/559942989.db2.gz RHXTZEJWWOKPIX-UHFFFAOYSA-N 1 3 364.538 2.421 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437718353 559968512 /nfs/dbraw/zinc/96/85/12/559968512.db2.gz CEYPBTGAYFCWEU-RBUKOAKNSA-N 1 3 366.550 2.194 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437718353 559968513 /nfs/dbraw/zinc/96/85/13/559968513.db2.gz CEYPBTGAYFCWEU-RBUKOAKNSA-N 1 3 366.550 2.194 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000437955877 559972211 /nfs/dbraw/zinc/97/22/11/559972211.db2.gz RMFIRZQVDPPWDB-HNNXBMFYSA-N 1 3 365.522 2.852 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000437955877 559972212 /nfs/dbraw/zinc/97/22/12/559972212.db2.gz RMFIRZQVDPPWDB-HNNXBMFYSA-N 1 3 365.522 2.852 20 0 FEADHO CN(CCNC(=O)C1CC[NH+](CC[C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000438093743 559974021 /nfs/dbraw/zinc/97/40/21/559974021.db2.gz LTSYDWRZEUGCFO-FQEVSTJZSA-N 1 3 373.541 2.373 20 0 FEADHO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443057639 560068496 /nfs/dbraw/zinc/06/84/96/560068496.db2.gz HMSVCCSSRQGZBD-CVEARBPZSA-N 1 3 358.486 2.201 20 0 FEADHO CCOc1ccc([C@@H](C)NC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000443062402 560068593 /nfs/dbraw/zinc/06/85/93/560068593.db2.gz XCVBADMSTFNAFF-HZPDHXFCSA-N 1 3 363.502 2.332 20 0 FEADHO C[C@@H](O)[C@H]1C[C@H](C)CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000443332381 560080458 /nfs/dbraw/zinc/08/04/58/560080458.db2.gz XTXZRCCNSZQOSY-DBXWQHBBSA-N 1 3 373.541 2.380 20 0 FEADHO COc1ccc(-c2ccc([C@H](C)N3CCN(CCO)CC3)cc2)c(C[NH3+])c1 ZINC000527587764 562296643 /nfs/dbraw/zinc/29/66/43/562296643.db2.gz GRVQZYISUREDOZ-KRWDZBQOSA-N 1 3 369.509 2.492 20 0 FEADHO COC1CC[NH+](C(C)(C)CNC(=O)NCCN2CCCC(C)(C)C2)CC1 ZINC000445102085 560128919 /nfs/dbraw/zinc/12/89/19/560128919.db2.gz NBPSMSFYEPJHJR-UHFFFAOYSA-N 1 3 368.566 2.297 20 0 FEADHO Cc1ccc(NC(=O)CCN2CCC(OCC[NH+]3CCCC3)CC2)nc1 ZINC000447316197 560160121 /nfs/dbraw/zinc/16/01/21/560160121.db2.gz WPSSQPGGXSJXHS-UHFFFAOYSA-N 1 3 360.502 2.295 20 0 FEADHO O=C(NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)c1ccn[nH]1 ZINC000453202657 560384277 /nfs/dbraw/zinc/38/42/77/560384277.db2.gz YVDDCXUHAFRZQT-GGPKGHCWSA-N 1 3 367.497 2.172 20 0 FEADHO O=C(NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)c1ccn[nH]1 ZINC000453202657 560384278 /nfs/dbraw/zinc/38/42/78/560384278.db2.gz YVDDCXUHAFRZQT-GGPKGHCWSA-N 1 3 367.497 2.172 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000454328362 560440200 /nfs/dbraw/zinc/44/02/00/560440200.db2.gz RIJBQEBNYGQBKF-AZUAARDMSA-N 1 3 374.529 2.253 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc2c(cn1)CCC2 ZINC000455668749 560491167 /nfs/dbraw/zinc/49/11/67/560491167.db2.gz GZXOUHJSOWJHIZ-SFHVURJKSA-N 1 3 359.518 2.450 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc2c(cn1)CCC2 ZINC000455668749 560491168 /nfs/dbraw/zinc/49/11/68/560491168.db2.gz GZXOUHJSOWJHIZ-SFHVURJKSA-N 1 3 359.518 2.450 20 0 FEADHO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000457060878 560546313 /nfs/dbraw/zinc/54/63/13/560546313.db2.gz YDGDICYBKMVFOZ-UHFFFAOYSA-N 1 3 373.541 2.495 20 0 FEADHO CCC(CC)[C@H](CNC(=O)NC[C@@H]1CCCCN1CCO)[NH+]1CCCC1 ZINC000457615834 560577957 /nfs/dbraw/zinc/57/79/57/560577957.db2.gz NFKJETACPRHZSV-OALUTQOASA-N 1 3 368.566 2.033 20 0 FEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000458097986 560603045 /nfs/dbraw/zinc/60/30/45/560603045.db2.gz FZWKOWAJIPXASO-GOSISDBHSA-N 1 3 362.518 2.251 20 0 FEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000458097986 560603046 /nfs/dbraw/zinc/60/30/46/560603046.db2.gz FZWKOWAJIPXASO-GOSISDBHSA-N 1 3 362.518 2.251 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3Cc4cccc(F)c4C3)CC2)CC1 ZINC000458121854 560604246 /nfs/dbraw/zinc/60/42/46/560604246.db2.gz HYKGSIDUNZFJOA-UHFFFAOYSA-N 1 3 360.477 2.410 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC1(F)F ZINC000459026805 560662487 /nfs/dbraw/zinc/66/24/87/560662487.db2.gz MLOPJIXWOCIDTN-HZPDHXFCSA-N 1 3 360.493 2.479 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC1(F)F ZINC000459026805 560662488 /nfs/dbraw/zinc/66/24/88/560662488.db2.gz MLOPJIXWOCIDTN-HZPDHXFCSA-N 1 3 360.493 2.479 20 0 FEADHO CCn1ccnc1[C@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000459054476 560664307 /nfs/dbraw/zinc/66/43/07/560664307.db2.gz IKEGTZJJWNMPJR-IRXDYDNUSA-N 1 3 364.538 2.022 20 0 FEADHO CCn1ccnc1[C@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000459054476 560664308 /nfs/dbraw/zinc/66/43/08/560664308.db2.gz IKEGTZJJWNMPJR-IRXDYDNUSA-N 1 3 364.538 2.022 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cnc(C)cc1C ZINC000459079233 560665467 /nfs/dbraw/zinc/66/54/67/560665467.db2.gz OXCWSGKTZCBLTF-LJQANCHMSA-N 1 3 361.534 2.256 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cnc(C)cc1C ZINC000459079233 560665469 /nfs/dbraw/zinc/66/54/69/560665469.db2.gz OXCWSGKTZCBLTF-LJQANCHMSA-N 1 3 361.534 2.256 20 0 FEADHO CN(C)C[C@H](NC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000459283024 560677396 /nfs/dbraw/zinc/67/73/96/560677396.db2.gz DDLJICMUWDSHFA-QAPCUYQASA-N 1 3 350.482 2.460 20 0 FEADHO CN(C)C[C@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000459283024 560677394 /nfs/dbraw/zinc/67/73/94/560677394.db2.gz DDLJICMUWDSHFA-QAPCUYQASA-N 1 3 350.482 2.460 20 0 FEADHO COc1cc2c(cc1OC)CN(CCNC1CC[NH+](C3CC3)CC1)CC2 ZINC000459385634 560683679 /nfs/dbraw/zinc/68/36/79/560683679.db2.gz JUYBEXZMXBSLDJ-UHFFFAOYSA-N 1 3 359.514 2.278 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000459569784 560694616 /nfs/dbraw/zinc/69/46/16/560694616.db2.gz YVBHQPZNTHONIL-HXUWFJFHSA-N 1 3 353.551 2.456 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000459569784 560694617 /nfs/dbraw/zinc/69/46/17/560694617.db2.gz YVBHQPZNTHONIL-HXUWFJFHSA-N 1 3 353.551 2.456 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000462018447 560793060 /nfs/dbraw/zinc/79/30/60/560793060.db2.gz WXDXSIQTWLGNQD-NRFANRHFSA-N 1 3 370.541 2.286 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1csc(C)n1 ZINC000465577490 560868930 /nfs/dbraw/zinc/86/89/30/560868930.db2.gz UPHKYNQTBABVLG-QGZVFWFLSA-N 1 3 367.563 2.052 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1csc(C)n1 ZINC000465577490 560868931 /nfs/dbraw/zinc/86/89/31/560868931.db2.gz UPHKYNQTBABVLG-QGZVFWFLSA-N 1 3 367.563 2.052 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000465893298 560875156 /nfs/dbraw/zinc/87/51/56/560875156.db2.gz DWAWCPIJWPSCIG-YZGWKJHDSA-N 1 3 358.530 2.333 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000465893298 560875157 /nfs/dbraw/zinc/87/51/57/560875157.db2.gz DWAWCPIJWPSCIG-YZGWKJHDSA-N 1 3 358.530 2.333 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)Cc2ccccc2C1 ZINC000466003119 560877777 /nfs/dbraw/zinc/87/77/77/560877777.db2.gz DJGRFMLFIXYTJI-FQEVSTJZSA-N 1 3 370.541 2.355 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(CC)CCOCC1 ZINC000466619921 560891500 /nfs/dbraw/zinc/89/15/00/560891500.db2.gz QQSDLEIYVZCURY-GOSISDBHSA-N 1 3 368.566 2.251 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(CC)CCOCC1 ZINC000466619921 560891501 /nfs/dbraw/zinc/89/15/01/560891501.db2.gz QQSDLEIYVZCURY-GOSISDBHSA-N 1 3 368.566 2.251 20 0 FEADHO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000467387650 560909294 /nfs/dbraw/zinc/90/92/94/560909294.db2.gz HMAJILWGEAFYNH-RTWAWAEBSA-N 1 3 374.573 2.396 20 0 FEADHO CCCN(CC[NH+](C)C)C(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000468844990 560940334 /nfs/dbraw/zinc/94/03/34/560940334.db2.gz GEMCUQBAUSGYHG-UHFFFAOYSA-N 1 3 360.546 2.307 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccccc1NC(C)=O ZINC000468993643 560944153 /nfs/dbraw/zinc/94/41/53/560944153.db2.gz NLLIDUCYCDZKIF-LJQANCHMSA-N 1 3 374.529 2.062 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccccc1NC(C)=O ZINC000468993643 560944154 /nfs/dbraw/zinc/94/41/54/560944154.db2.gz NLLIDUCYCDZKIF-LJQANCHMSA-N 1 3 374.529 2.062 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)C[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000469529999 560957273 /nfs/dbraw/zinc/95/72/73/560957273.db2.gz YEZMLOYHOPRDSY-SFHVURJKSA-N 1 3 358.530 2.242 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000469529999 560957274 /nfs/dbraw/zinc/95/72/74/560957274.db2.gz YEZMLOYHOPRDSY-SFHVURJKSA-N 1 3 358.530 2.242 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)C[C@@H]1C ZINC000469678404 560961508 /nfs/dbraw/zinc/96/15/08/560961508.db2.gz WDRUBSUOXTZUIH-ROUUACIJSA-N 1 3 351.535 2.353 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)C[C@@H]1C ZINC000469678404 560961509 /nfs/dbraw/zinc/96/15/09/560961509.db2.gz WDRUBSUOXTZUIH-ROUUACIJSA-N 1 3 351.535 2.353 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1)[C@H]1CCC[NH2+]1 ZINC000469854107 560966557 /nfs/dbraw/zinc/96/65/57/560966557.db2.gz LVIWHSGUGWMLSU-GDBMZVCRSA-N 1 3 373.526 2.218 20 0 FEADHO COc1ccccc1/C=C/CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000469858295 560967001 /nfs/dbraw/zinc/96/70/01/560967001.db2.gz DBRUHGCBHRFASM-VYYLWUJASA-N 1 3 357.498 2.289 20 0 FEADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470732678 560988226 /nfs/dbraw/zinc/98/82/26/560988226.db2.gz MIQWEEQZBFMSNK-ZIFCJYIRSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470732678 560988227 /nfs/dbraw/zinc/98/82/27/560988227.db2.gz MIQWEEQZBFMSNK-ZIFCJYIRSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H]1[C@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCCN1C ZINC000472160889 561019817 /nfs/dbraw/zinc/01/98/17/561019817.db2.gz LCTGNSAHEKBUJY-IJXRJRJASA-N 1 3 356.514 2.243 20 0 FEADHO C[C@H]1[C@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCCN1C ZINC000472160889 561019818 /nfs/dbraw/zinc/01/98/18/561019818.db2.gz LCTGNSAHEKBUJY-IJXRJRJASA-N 1 3 356.514 2.243 20 0 FEADHO COc1cnccc1N1CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000473975401 561062645 /nfs/dbraw/zinc/06/26/45/561062645.db2.gz FOXSENDYKPZWMT-UHFFFAOYSA-N 1 3 363.506 2.041 20 0 FEADHO CCc1cccc(Cl)c1C[NH2+]CCCCN1CCN(CCO)CC1 ZINC000474378301 561072762 /nfs/dbraw/zinc/07/27/62/561072762.db2.gz OTOUTLZIWRESFK-UHFFFAOYSA-N 1 3 353.938 2.382 20 0 FEADHO O=C(NC[C@H]1CCN1C1CCCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000528151687 562316401 /nfs/dbraw/zinc/31/64/01/562316401.db2.gz SPQXKDQCUDWXAG-LJQANCHMSA-N 1 3 357.502 2.320 20 0 FEADHO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000530659063 562419418 /nfs/dbraw/zinc/41/94/18/562419418.db2.gz PBIMCKJHWNCQPU-JOCHJYFZSA-N 1 3 371.525 2.147 20 0 FEADHO Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)n(C2CCN(C)CC2)n1 ZINC000530711397 562421456 /nfs/dbraw/zinc/42/14/56/562421456.db2.gz NADXXHHCDVZIAZ-QGZVFWFLSA-N 1 3 360.506 2.160 20 0 FEADHO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n(C2CCN(C)CC2)n1 ZINC000530950638 562429483 /nfs/dbraw/zinc/42/94/83/562429483.db2.gz YIBFUTRNHSKXII-SJORKVTESA-N 1 3 360.506 2.207 20 0 FEADHO Cc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n(C2CCN(C)CC2)n1 ZINC000530950638 562429484 /nfs/dbraw/zinc/42/94/84/562429484.db2.gz YIBFUTRNHSKXII-SJORKVTESA-N 1 3 360.506 2.207 20 0 FEADHO Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n(C2CCN(C)CC2)n1 ZINC000531713464 562454496 /nfs/dbraw/zinc/45/44/96/562454496.db2.gz LLPVMBIXGHMKTR-SJLPKXTDSA-N 1 3 374.533 2.406 20 0 FEADHO Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n(C2CCN(C)CC2)n1 ZINC000531713464 562454497 /nfs/dbraw/zinc/45/44/97/562454497.db2.gz LLPVMBIXGHMKTR-SJLPKXTDSA-N 1 3 374.533 2.406 20 0 FEADHO CCOc1cc(C)ccc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000532056713 562465625 /nfs/dbraw/zinc/46/56/25/562465625.db2.gz AQIWURGSHMQVPD-UHFFFAOYSA-N 1 3 350.507 2.029 20 0 FEADHO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000541897441 562622618 /nfs/dbraw/zinc/62/26/18/562622618.db2.gz YKGBPUOLCCDGOX-UHFFFAOYSA-N 1 3 362.518 2.214 20 0 FEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000541897441 562622619 /nfs/dbraw/zinc/62/26/19/562622619.db2.gz YKGBPUOLCCDGOX-UHFFFAOYSA-N 1 3 362.518 2.214 20 0 FEADHO COC(=O)CCNC(=O)CCN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602727096 568024233 /nfs/dbraw/zinc/02/42/33/568024233.db2.gz ZMFDRHFIYPRGTC-PKOBYXMFSA-N 1 3 373.497 2.014 20 0 FEADHO COC(=O)CCNC(=O)CCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602727096 568024234 /nfs/dbraw/zinc/02/42/34/568024234.db2.gz ZMFDRHFIYPRGTC-PKOBYXMFSA-N 1 3 373.497 2.014 20 0 FEADHO Cc1c(F)cccc1NC(=O)CC[NH2+]C1CCN(CCN(C)C)CC1 ZINC000570955521 568154485 /nfs/dbraw/zinc/15/44/85/568154485.db2.gz RIKSILSNIAXLRN-UHFFFAOYSA-N 1 3 350.482 2.078 20 0 FEADHO CCC1([NH+](C)C)CCN(C(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000636884863 568161714 /nfs/dbraw/zinc/16/17/14/568161714.db2.gz LHTHZYZMGHJPAS-UHFFFAOYSA-N 1 3 368.566 2.392 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000636919204 568199755 /nfs/dbraw/zinc/19/97/55/568199755.db2.gz JZUQZKHPINQEPB-MRXNPFEDSA-N 1 3 362.522 2.249 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000636919204 568199756 /nfs/dbraw/zinc/19/97/56/568199756.db2.gz JZUQZKHPINQEPB-MRXNPFEDSA-N 1 3 362.522 2.249 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000557347387 674446214 /nfs/dbraw/zinc/44/62/14/674446214.db2.gz GVZPLIRHKRSBJE-MSOLQXFVSA-N 1 3 351.516 2.043 20 0 FEADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000562794777 674810796 /nfs/dbraw/zinc/81/07/96/674810796.db2.gz OGNDPUJHRUBYED-QAQDUYKDSA-N 1 3 368.591 2.412 20 0 FEADHO CC[C@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C[C@@H](C)O1 ZINC000563373841 674878938 /nfs/dbraw/zinc/87/89/38/674878938.db2.gz LJOQSOHPEMQVTI-APWZRJJASA-N 1 3 351.535 2.209 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(Cc4scnc4C)C[C@H]3C2)CC[N@@H+]1C ZINC001048827863 675016042 /nfs/dbraw/zinc/01/60/42/675016042.db2.gz JNRLYWQWKKKLRO-VVLHAWIVSA-N 1 3 362.543 2.072 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(Cc4scnc4C)C[C@H]3C2)CC[N@H+]1C ZINC001048827863 675016046 /nfs/dbraw/zinc/01/60/46/675016046.db2.gz JNRLYWQWKKKLRO-VVLHAWIVSA-N 1 3 362.543 2.072 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCCN1CCc2ccccc2C1 ZINC000046103121 670213648 /nfs/dbraw/zinc/21/36/48/670213648.db2.gz PRMQHLFLWGPPBZ-LJQANCHMSA-N 1 3 360.571 2.383 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NCCCN1CCc2ccccc2C1 ZINC000046103121 670213652 /nfs/dbraw/zinc/21/36/52/670213652.db2.gz PRMQHLFLWGPPBZ-LJQANCHMSA-N 1 3 360.571 2.383 20 0 FEADHO Cc1ccc(OC[C@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)c(C)c1 ZINC000570325193 670696420 /nfs/dbraw/zinc/69/64/20/670696420.db2.gz PJQVASAHQQFIGE-RBUKOAKNSA-N 1 3 350.503 2.134 20 0 FEADHO Cc1ccc(OC[C@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)c(C)c1 ZINC000570325193 670696423 /nfs/dbraw/zinc/69/64/23/670696423.db2.gz PJQVASAHQQFIGE-RBUKOAKNSA-N 1 3 350.503 2.134 20 0 FEADHO Cc1ncsc1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000570885633 670782261 /nfs/dbraw/zinc/78/22/61/670782261.db2.gz JKICJHZNHRHLNH-UHFFFAOYSA-N 1 3 350.532 2.266 20 0 FEADHO C[C@@H]1CC2(CN1CC(=O)NCCOc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000571873570 670934702 /nfs/dbraw/zinc/93/47/02/670934702.db2.gz RRCJJQDIRWHFIT-OAHLLOKOSA-N 1 3 365.905 2.299 20 0 FEADHO COC[C@@]1(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC[NH2+]C1 ZINC000566146866 675185909 /nfs/dbraw/zinc/18/59/09/675185909.db2.gz QAEBBTILPODYCR-QFBILLFUSA-N 1 3 365.543 2.263 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)C1 ZINC000574739302 671273464 /nfs/dbraw/zinc/27/34/64/671273464.db2.gz GREINAGTCVWAAU-HZPDHXFCSA-N 1 3 365.905 2.381 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)C1 ZINC000574739302 671273468 /nfs/dbraw/zinc/27/34/68/671273468.db2.gz GREINAGTCVWAAU-HZPDHXFCSA-N 1 3 365.905 2.381 20 0 FEADHO NS(=O)(=O)c1ccc2c(c1)[C@H](NCc1ccc(CC[NH3+])cc1)CCC2 ZINC000817949732 675187831 /nfs/dbraw/zinc/18/78/31/675187831.db2.gz UINAPNVFWTWXDQ-LJQANCHMSA-N 1 3 359.495 2.002 20 0 FEADHO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CNCc2ccccc21 ZINC000566167662 675188677 /nfs/dbraw/zinc/18/86/77/675188677.db2.gz DPZGQSJGUBLORM-SFHVURJKSA-N 1 3 359.539 2.351 20 0 FEADHO CC(C)(C)c1ncc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)s1 ZINC000576805432 671395554 /nfs/dbraw/zinc/39/55/54/671395554.db2.gz XUMUYFVWMWLJDG-ZBFHGGJFSA-N 1 3 350.532 2.177 20 0 FEADHO COc1ccc(Cl)cc1CNC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000581251688 671878753 /nfs/dbraw/zinc/87/87/53/671878753.db2.gz CWIWOBIQNRAMFT-GJZGRUSLSA-N 1 3 365.905 2.286 20 0 FEADHO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000715557523 673073825 /nfs/dbraw/zinc/07/38/25/673073825.db2.gz JNPLUQBHVZPNMS-VVLHAWIVSA-N 1 3 355.523 2.473 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000715557523 673073826 /nfs/dbraw/zinc/07/38/26/673073826.db2.gz JNPLUQBHVZPNMS-VVLHAWIVSA-N 1 3 355.523 2.473 20 0 FEADHO C[C@@H](CCNC(=O)CC1(N2CCOCC2)CCCC1)[NH+]1CCCCC1 ZINC000542456129 673583467 /nfs/dbraw/zinc/58/34/67/673583467.db2.gz VOSZNUYFXDGSTQ-SFHVURJKSA-N 1 3 351.535 2.402 20 0 FEADHO C[C@H]1CCN(CC(=O)N(C[C@@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)C1 ZINC000614444162 676175133 /nfs/dbraw/zinc/17/51/33/676175133.db2.gz WHGLZXLEEPADMQ-WMZOPIPTSA-N 1 3 353.551 2.048 20 0 FEADHO C[C@@]1(CO)CCCN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000544760929 673731373 /nfs/dbraw/zinc/73/13/73/673731373.db2.gz SADCBPNTGGTFFO-IBGZPJMESA-N 1 3 363.527 2.021 20 0 FEADHO COCCC[NH+]1CCC(NC[C@@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000567160609 675271776 /nfs/dbraw/zinc/27/17/76/675271776.db2.gz QRRHTSUUNQGCRR-LJQANCHMSA-N 1 3 350.503 2.134 20 0 FEADHO Cc1cc(NC(=O)[C@H](N)CC(F)F)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000567824890 675326858 /nfs/dbraw/zinc/32/68/58/675326858.db2.gz IXLJILPMDHEYIV-MRXNPFEDSA-N 1 3 354.445 2.446 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1csc(-c2ccoc2)n1 ZINC000617505764 676289737 /nfs/dbraw/zinc/28/97/37/676289737.db2.gz OZJDGSOCTHFUDQ-ZDUSSCGKSA-N 1 3 350.488 2.405 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1csc(-c2ccoc2)n1 ZINC000617505764 676289740 /nfs/dbraw/zinc/28/97/40/676289740.db2.gz OZJDGSOCTHFUDQ-ZDUSSCGKSA-N 1 3 350.488 2.405 20 0 FEADHO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000623960684 676558570 /nfs/dbraw/zinc/55/85/70/676558570.db2.gz DHUIUNDLMMKLAC-YGRLFVJLSA-N 1 3 351.800 2.341 20 0 FEADHO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000623960684 676558571 /nfs/dbraw/zinc/55/85/71/676558571.db2.gz DHUIUNDLMMKLAC-YGRLFVJLSA-N 1 3 351.800 2.341 20 0 FEADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)CC2(O)CCOCC2)[C@@H]1c1cccs1 ZINC000634706444 677080165 /nfs/dbraw/zinc/08/01/65/677080165.db2.gz PLVJEGKODUEANU-SOLBZPMBSA-N 1 3 368.543 2.013 20 0 FEADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)CC2(O)CCOCC2)[C@@H]1c1cccs1 ZINC000634706444 677080166 /nfs/dbraw/zinc/08/01/66/677080166.db2.gz PLVJEGKODUEANU-SOLBZPMBSA-N 1 3 368.543 2.013 20 0 FEADHO COC[C@]1(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CCCCN1 ZINC000638086711 677139547 /nfs/dbraw/zinc/13/95/47/677139547.db2.gz UVMQIEVTUQZBQW-GGPKGHCWSA-N 1 3 351.535 2.258 20 0 FEADHO COC[C@]1(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCCCN1 ZINC000638086711 677139548 /nfs/dbraw/zinc/13/95/48/677139548.db2.gz UVMQIEVTUQZBQW-GGPKGHCWSA-N 1 3 351.535 2.258 20 0 FEADHO CC[NH2+][C@H](C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000638119963 677140455 /nfs/dbraw/zinc/14/04/55/677140455.db2.gz BRUGKVVDGITGCO-CQSZACIVSA-N 1 3 353.894 2.297 20 0 FEADHO C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345785 677480521 /nfs/dbraw/zinc/48/05/21/677480521.db2.gz LXCPSHZAKBNWIM-QXCFHYIPSA-N 1 3 351.535 2.290 20 0 FEADHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@H]1CCN ZINC000652355135 677481237 /nfs/dbraw/zinc/48/12/37/677481237.db2.gz PXHWTQSPLATUIL-WBMJQRKESA-N 1 3 366.893 2.217 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@H]1CCN ZINC000652355135 677481238 /nfs/dbraw/zinc/48/12/38/677481238.db2.gz PXHWTQSPLATUIL-WBMJQRKESA-N 1 3 366.893 2.217 20 0 FEADHO C[C@@H]1CCCN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@H]1CC[NH3+] ZINC000652355135 677481240 /nfs/dbraw/zinc/48/12/40/677481240.db2.gz PXHWTQSPLATUIL-WBMJQRKESA-N 1 3 366.893 2.217 20 0 FEADHO COCc1csc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000657367479 677996681 /nfs/dbraw/zinc/99/66/81/677996681.db2.gz OUTMXJXSEITGMH-UHFFFAOYSA-N 1 3 361.511 2.476 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC1([NH3+])CCCC1 ZINC000659571249 678189395 /nfs/dbraw/zinc/18/93/95/678189395.db2.gz RZNIZJWUTSGRID-UHFFFAOYSA-N 1 3 354.445 2.310 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000662384530 678614675 /nfs/dbraw/zinc/61/46/75/678614675.db2.gz QEFQQWICFDDWLX-CJNGLKHVSA-N 1 3 361.515 2.361 20 0 FEADHO CC[C@H]([NH2+]C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000662467395 678625656 /nfs/dbraw/zinc/62/56/56/678625656.db2.gz VENHSUYXUQSEKA-KRWDZBQOSA-N 1 3 353.894 2.297 20 0 FEADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CNCc2nc3c(s2)CNCC3)cc1 ZINC000663497375 678747963 /nfs/dbraw/zinc/74/79/63/678747963.db2.gz MXOPQCAXUPDMHW-ZBFHGGJFSA-N 1 3 360.502 2.411 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CCC(OC(F)F)CC1 ZINC000665058498 678939227 /nfs/dbraw/zinc/93/92/27/678939227.db2.gz VASSIBQAZKZMPM-NFOMZHRRSA-N 1 3 364.481 2.108 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CCC(OC(F)F)CC1 ZINC000665058498 678939228 /nfs/dbraw/zinc/93/92/28/678939228.db2.gz VASSIBQAZKZMPM-NFOMZHRRSA-N 1 3 364.481 2.108 20 0 FEADHO COc1cccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C ZINC000665764776 678982951 /nfs/dbraw/zinc/98/29/51/678982951.db2.gz PEWQVVXHWVGCLM-HNNXBMFYSA-N 1 3 350.507 2.075 20 0 FEADHO COc1cccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C ZINC000665764776 678982953 /nfs/dbraw/zinc/98/29/53/678982953.db2.gz PEWQVVXHWVGCLM-HNNXBMFYSA-N 1 3 350.507 2.075 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCSC2(CCC2)CC1 ZINC000665764270 678983037 /nfs/dbraw/zinc/98/30/37/678983037.db2.gz ZVAOQXYTGMWVIQ-INIZCTEOSA-N 1 3 356.580 2.330 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCSC2(CCC2)CC1 ZINC000665764270 678983038 /nfs/dbraw/zinc/98/30/38/678983038.db2.gz ZVAOQXYTGMWVIQ-INIZCTEOSA-N 1 3 356.580 2.330 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)C1 ZINC000666638347 679035252 /nfs/dbraw/zinc/03/52/52/679035252.db2.gz BDKMZZWVUWDKCW-CQSZACIVSA-N 1 3 351.441 2.342 20 0 FEADHO CCN(CCC[NH+](CC)CC)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666976503 679056044 /nfs/dbraw/zinc/05/60/44/679056044.db2.gz KADNLZDEAWDQBH-GOSISDBHSA-N 1 3 354.539 2.003 20 0 FEADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000668661183 679192172 /nfs/dbraw/zinc/19/21/72/679192172.db2.gz UYZJUCDFXJVFEF-OCCSQVGLSA-N 1 3 358.458 2.181 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)N(C)C)cc1 ZINC000669592664 679244299 /nfs/dbraw/zinc/24/42/99/679244299.db2.gz CSHORJMIIJSHST-OLMNPRSZSA-N 1 3 362.543 2.405 20 0 FEADHO C[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1cccnc1Cl ZINC000840833833 680845861 /nfs/dbraw/zinc/84/58/61/680845861.db2.gz OESQJLFFYCTUMM-OAHLLOKOSA-N 1 3 352.910 2.182 20 0 FEADHO Cc1ncsc1CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974607612 679963921 /nfs/dbraw/zinc/96/39/21/679963921.db2.gz VGGRXOWHTTZVIU-BFYDXBDKSA-N 1 3 364.559 2.161 20 0 FEADHO Cc1ncsc1CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974607612 679963923 /nfs/dbraw/zinc/96/39/23/679963923.db2.gz VGGRXOWHTTZVIU-BFYDXBDKSA-N 1 3 364.559 2.161 20 0 FEADHO CC[C@@H](NC[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834531444 680239076 /nfs/dbraw/zinc/23/90/76/680239076.db2.gz ZFYFKDUDNZRECP-ZACQAIPSSA-N 1 3 355.523 2.211 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNCc3nc(C)cs3)C2)CC[N@@H+]1C ZINC001026855907 680351764 /nfs/dbraw/zinc/35/17/64/680351764.db2.gz PMXQEJNRQOKZMA-HRCADAONSA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNCc3nc(C)cs3)C2)CC[N@H+]1C ZINC001026855907 680351769 /nfs/dbraw/zinc/35/17/69/680351769.db2.gz PMXQEJNRQOKZMA-HRCADAONSA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CNCc3nccs3)CC2)CC[N@@H+]1C ZINC000997794253 680366724 /nfs/dbraw/zinc/36/67/24/680366724.db2.gz YLMMCUZGOXLYSO-JKSUJKDBSA-N 1 3 350.532 2.202 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CNCc3nccs3)CC2)CC[N@H+]1C ZINC000997794253 680366729 /nfs/dbraw/zinc/36/67/29/680366729.db2.gz YLMMCUZGOXLYSO-JKSUJKDBSA-N 1 3 350.532 2.202 20 0 FEADHO Cc1nsc(C)c1CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999190698 680398252 /nfs/dbraw/zinc/39/82/52/680398252.db2.gz SNFIRRBSPHPVMG-VNQPRFMTSA-N 1 3 350.532 2.181 20 0 FEADHO Cc1nsc(C)c1CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999190698 680398255 /nfs/dbraw/zinc/39/82/55/680398255.db2.gz SNFIRRBSPHPVMG-VNQPRFMTSA-N 1 3 350.532 2.181 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001034939494 680440591 /nfs/dbraw/zinc/44/05/91/680440591.db2.gz CPHOPAKKXRHULR-FVQBIDKESA-N 1 3 351.441 2.386 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ccc(F)c(F)c2)CC[N@H+]1C ZINC001034939494 680440593 /nfs/dbraw/zinc/44/05/93/680440593.db2.gz CPHOPAKKXRHULR-FVQBIDKESA-N 1 3 351.441 2.386 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cnc(Cl)s2)CC[N@@H+]1C ZINC001034940018 680441065 /nfs/dbraw/zinc/44/10/65/680441065.db2.gz SIHIXTIRDUDKMY-YRGRVCCFSA-N 1 3 356.923 2.217 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cnc(Cl)s2)CC[N@H+]1C ZINC001034940018 680441067 /nfs/dbraw/zinc/44/10/67/680441067.db2.gz SIHIXTIRDUDKMY-YRGRVCCFSA-N 1 3 356.923 2.217 20 0 FEADHO CN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000841692304 680907343 /nfs/dbraw/zinc/90/73/43/680907343.db2.gz QZLPQPITKOKSIY-GJZGRUSLSA-N 1 3 350.507 2.107 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc(Cl)n1 ZINC000841854790 680914907 /nfs/dbraw/zinc/91/49/07/680914907.db2.gz APZBGAYHFSXRPR-NUEKZKHPSA-N 1 3 350.894 2.424 20 0 FEADHO C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000843363774 680999746 /nfs/dbraw/zinc/99/97/46/680999746.db2.gz PYOWDTTYBYKPMD-CQSZACIVSA-N 1 3 351.441 2.088 20 0 FEADHO C[N@H+](CCCN1CCCC1)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846890290 681303976 /nfs/dbraw/zinc/30/39/76/681303976.db2.gz FXYFEHBDWGEYDO-IBGZPJMESA-N 1 3 355.523 2.166 20 0 FEADHO C[N@@H+](CCCN1CCCC1)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846890290 681303980 /nfs/dbraw/zinc/30/39/80/681303980.db2.gz FXYFEHBDWGEYDO-IBGZPJMESA-N 1 3 355.523 2.166 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1ccccc1C(F)(F)F ZINC000849067650 681649230 /nfs/dbraw/zinc/64/92/30/681649230.db2.gz SNXFTMDVQZZHLX-WFASDCNBSA-N 1 3 358.408 2.337 20 0 FEADHO [NH2+]=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1cccc(OC(F)(F)F)c1 ZINC000849082918 681650955 /nfs/dbraw/zinc/65/09/55/681650955.db2.gz QOCUHJVTFKWBGY-TZMCWYRMSA-N 1 3 358.364 2.385 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCN1CCc2c(Cl)cccc2C1 ZINC000849108063 681654226 /nfs/dbraw/zinc/65/42/26/681654226.db2.gz WTBRDNMLXVFBOE-INIZCTEOSA-N 1 3 363.937 2.296 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)Nc1ccc2c(c1)OCCO2 ZINC000849277106 681676207 /nfs/dbraw/zinc/67/62/07/681676207.db2.gz UPYFYGATJMCFOA-AWEZNQCLSA-N 1 3 366.531 2.016 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)Nc1ccc2c(c1)OCCO2 ZINC000849277106 681676211 /nfs/dbraw/zinc/67/62/11/681676211.db2.gz UPYFYGATJMCFOA-AWEZNQCLSA-N 1 3 366.531 2.016 20 0 FEADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000913955861 685490162 /nfs/dbraw/zinc/49/01/62/685490162.db2.gz BNTGKRBPKNQHKE-HCXYKTFWSA-N 1 3 369.575 2.139 20 0 FEADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000913955861 685490163 /nfs/dbraw/zinc/49/01/63/685490163.db2.gz BNTGKRBPKNQHKE-HCXYKTFWSA-N 1 3 369.575 2.139 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4sc(C)nc4C)C[C@H]32)CC[N@@H+]1C ZINC000959967893 682015618 /nfs/dbraw/zinc/01/56/18/682015618.db2.gz PNFFHHKJYAZZPG-ZNFSNMQZSA-N 1 3 362.543 2.037 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4sc(C)nc4C)C[C@H]32)CC[N@H+]1C ZINC000959967893 682015622 /nfs/dbraw/zinc/01/56/22/682015622.db2.gz PNFFHHKJYAZZPG-ZNFSNMQZSA-N 1 3 362.543 2.037 20 0 FEADHO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000788248615 682514974 /nfs/dbraw/zinc/51/49/74/682514974.db2.gz RVAJIJGDVCMFLH-BRWVUGGUSA-N 1 3 355.523 2.259 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1snc(Cl)c1Cl ZINC000855346908 682660261 /nfs/dbraw/zinc/66/02/61/682660261.db2.gz OCIDCDCJSCPJCA-VIFPVBQESA-N 1 3 353.319 2.452 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1snc(Cl)c1Cl ZINC000855346908 682660265 /nfs/dbraw/zinc/66/02/65/682660265.db2.gz OCIDCDCJSCPJCA-VIFPVBQESA-N 1 3 353.319 2.452 20 0 FEADHO CN(CCCNCc1c(F)ccc(C2OCCO2)c1Cl)CC[NH+](C)C ZINC000857783920 682913924 /nfs/dbraw/zinc/91/39/24/682913924.db2.gz ISNPTZWFXRTGDV-UHFFFAOYSA-N 1 3 373.900 2.498 20 0 FEADHO CN(CCOCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC000858502145 682974359 /nfs/dbraw/zinc/97/43/59/682974359.db2.gz YCPCMSZIJPAZAZ-GVDBMIGSSA-N 1 3 355.523 2.332 20 0 FEADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](C(=O)OC(C)(C)C)C1CCOCC1 ZINC000926776611 683170083 /nfs/dbraw/zinc/17/00/83/683170083.db2.gz UIOUVXZFWRBNRC-SOABOVLPSA-N 1 3 352.519 2.301 20 0 FEADHO CCC1([NH+]2CCOCC2)CCN(CCCNC(=O)OC(C)(C)C)CC1 ZINC000860029836 683190556 /nfs/dbraw/zinc/19/05/56/683190556.db2.gz RRXOIZOSCXBHDN-UHFFFAOYSA-N 1 3 355.523 2.478 20 0 FEADHO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000919788434 683299327 /nfs/dbraw/zinc/29/93/27/683299327.db2.gz DXMPCSUWQDVXPM-SFHVURJKSA-N 1 3 357.564 2.000 20 0 FEADHO C[C@H]1CN(CC(=O)N(C)Cc2ccccc2Br)CC[C@H]1C[NH3+] ZINC000923502618 684294080 /nfs/dbraw/zinc/29/40/80/684294080.db2.gz CUHXPLSACVCQFM-KBPBESRZSA-N 1 3 368.319 2.324 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cncc(Cl)c3)CC2)CC1 ZINC000932119544 684411248 /nfs/dbraw/zinc/41/12/48/684411248.db2.gz RNYJCEJNGBBLMT-UHFFFAOYSA-N 1 3 351.882 2.415 20 0 FEADHO CC1CC[NH+]([C@H](CN2C(=O)N[C@H](CN(C)C)C2=O)c2cccs2)CC1 ZINC000924440136 684446889 /nfs/dbraw/zinc/44/68/89/684446889.db2.gz QOGWYKGWGPHQFW-HUUCEWRRSA-N 1 3 364.515 2.003 20 0 FEADHO CC(C)(C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)[C@@H]1COCC12OCCO2 ZINC000925684735 684578432 /nfs/dbraw/zinc/57/84/32/684578432.db2.gz CRYLMYWHYSQLQG-KURKYZTESA-N 1 3 352.519 2.160 20 0 FEADHO C[C@@H](CNC(=O)c1csc(C2CC[NH2+]CC2)n1)N1CCC(C)CC1 ZINC000870875025 684765307 /nfs/dbraw/zinc/76/53/07/684765307.db2.gz SYYYUQUIOXYERX-AWEZNQCLSA-N 1 3 350.532 2.460 20 0 FEADHO C[C@@H](CN1CCC(C)CC1)NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870954358 684775504 /nfs/dbraw/zinc/77/55/04/684775504.db2.gz HWWGPGXWZUQULK-AWEZNQCLSA-N 1 3 350.532 2.460 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N[C@H]2CCCCC23CC[NH2+]CC3)cc1 ZINC000871817086 684862217 /nfs/dbraw/zinc/86/22/17/684862217.db2.gz AOUNGVRLRFZVAH-SFHVURJKSA-N 1 3 365.543 2.339 20 0 FEADHO C[C@H]1CN(c2ccc(CNCc3cc4c(s3)CC[NH2+]C4)cn2)CCO1 ZINC000873212449 685097311 /nfs/dbraw/zinc/09/73/11/685097311.db2.gz KOQLPJOOHFROSJ-AWEZNQCLSA-N 1 3 358.511 2.304 20 0 FEADHO CNS(=O)(=O)c1ccc(CCN[C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000873261357 685102816 /nfs/dbraw/zinc/10/28/16/685102816.db2.gz CYQROANJLSHZNP-WBVHZDCISA-N 1 3 353.532 2.038 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000873274909 685103811 /nfs/dbraw/zinc/10/38/11/685103811.db2.gz HLTMJSKXXQMXJN-GAZDZIEESA-N 1 3 351.288 2.429 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876743542 686258642 /nfs/dbraw/zinc/25/86/42/686258642.db2.gz HMLBUAKGIQVBOX-DOTOQJQBSA-N 1 3 351.491 2.164 20 0 FEADHO CC(C)(O)C[NH+]1CCC(NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000877046157 686317299 /nfs/dbraw/zinc/31/72/99/686317299.db2.gz JKGNQNMEJLCHGA-INIZCTEOSA-N 1 3 355.523 2.211 20 0 FEADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1csc(C2CC[NH2+]CC2)n1 ZINC000877339290 686357575 /nfs/dbraw/zinc/35/75/75/686357575.db2.gz WXCAEGREBRDOJM-INIZCTEOSA-N 1 3 356.495 2.054 20 0 FEADHO C[NH+]1CCC2(CCN(Cc3cccc(NS(C)(=O)=O)c3)CC2)CC1 ZINC000877684634 686436528 /nfs/dbraw/zinc/43/65/28/686436528.db2.gz REFBWRHBGZGAAV-UHFFFAOYSA-N 1 3 351.516 2.366 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]Cc2c3c(nn2C)CCSC3)C[C@@H](C)O1 ZINC000883015691 687546833 /nfs/dbraw/zinc/54/68/33/687546833.db2.gz YZYDNUUZNQWDIE-HUUCEWRRSA-N 1 3 352.548 2.188 20 0 FEADHO C[NH+](C)C1CCN(CCNCc2cnc(CC(F)(F)F)s2)CC1 ZINC000893359904 689337196 /nfs/dbraw/zinc/33/71/96/689337196.db2.gz FBGWXNSFIWWZDE-UHFFFAOYSA-N 1 3 350.454 2.364 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)N(C)C)cc1 ZINC000895057281 689650234 /nfs/dbraw/zinc/65/02/34/689650234.db2.gz GASHIURTAMKSHS-RYQLBKOJSA-N 1 3 362.543 2.357 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)N(C)C)cc1 ZINC000895057281 689650236 /nfs/dbraw/zinc/65/02/36/689650236.db2.gz GASHIURTAMKSHS-RYQLBKOJSA-N 1 3 362.543 2.357 20 0 FEADHO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C[C@@H](N)CC(F)F)cc2)C[C@H](C)O1 ZINC000903924320 690986498 /nfs/dbraw/zinc/98/64/98/690986498.db2.gz CNPZBRDPBFVFPU-ZENOOKHLSA-N 1 3 355.429 2.008 20 0 FEADHO [NH3+]CC[C@@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000904405534 691025355 /nfs/dbraw/zinc/02/53/55/691025355.db2.gz NEQMEGXZCTZFSK-CQSZACIVSA-N 1 3 368.319 2.456 20 0 FEADHO C[C@](O)(C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)C(F)(F)C(F)(F)F ZINC000905173929 691076590 /nfs/dbraw/zinc/07/65/90/691076590.db2.gz IKPUDNJYFWMRFJ-RDBSUJKOSA-N 1 3 374.394 2.293 20 0 FEADHO C[NH+](C)CCOc1cc(CNC[C@@](C)(O)C(F)(F)C(F)(F)F)ccn1 ZINC000905191745 691077684 /nfs/dbraw/zinc/07/76/84/691077684.db2.gz QJFJRIIIFSCVTF-CYBMUJFWSA-N 1 3 371.350 2.060 20 0 FEADHO CN(C)c1cc[nH+]c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164865773 721085268 /nfs/dbraw/zinc/08/52/68/721085268.db2.gz PJIWDFOVMSVZRT-RTBURBONSA-N 1 3 353.470 2.022 20 0 FEADHO Cc1nc2ccccc2n1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797843 540414362 /nfs/dbraw/zinc/41/43/62/540414362.db2.gz KGDODQVMKLASGV-UHFFFAOYSA-N 1 3 369.513 2.020 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3c3ccccn3)CC2)CC1 ZINC000051777716 540444189 /nfs/dbraw/zinc/44/41/89/540444189.db2.gz QNWFIEKSDCXTKD-FQEVSTJZSA-N 1 3 371.529 2.487 20 0 FEADHO CN1CCC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000061791215 541139760 /nfs/dbraw/zinc/13/97/60/541139760.db2.gz MDMHUXGDBXFOKP-SFHVURJKSA-N 1 3 362.543 2.494 20 0 FEADHO CC(C)C[C@@H](CN(C)C)NC(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000066185464 541287915 /nfs/dbraw/zinc/28/79/15/541287915.db2.gz LYMSHQKVNVZWKR-KRWDZBQOSA-N 1 3 368.566 2.248 20 0 FEADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000247397838 549327994 /nfs/dbraw/zinc/32/79/94/549327994.db2.gz WUCJEACUCZJVKF-ROUUACIJSA-N 1 3 368.566 2.249 20 0 FEADHO CCN1CCC[C@H]1CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000073618458 541975028 /nfs/dbraw/zinc/97/50/28/541975028.db2.gz HUSDUSBBZREHNC-FQEVSTJZSA-N 1 3 358.530 2.477 20 0 FEADHO C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)CN1CCN(C)CC1 ZINC000073641469 541980130 /nfs/dbraw/zinc/98/01/30/541980130.db2.gz PLFGBJWEANCCSC-MRXNPFEDSA-N 1 3 372.513 2.108 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000073659912 541982884 /nfs/dbraw/zinc/98/28/84/541982884.db2.gz YYKFZUYUYYZGAA-GOSISDBHSA-N 1 3 368.566 2.251 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000073662082 541983272 /nfs/dbraw/zinc/98/32/72/541983272.db2.gz JQDVAHUIDMKDGC-QRVBRYPASA-N 1 3 368.566 2.107 20 0 FEADHO CCc1cnc(CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)s1 ZINC000074842957 542127276 /nfs/dbraw/zinc/12/72/76/542127276.db2.gz RXIKVNNQGKFXGV-HNNXBMFYSA-N 1 3 367.563 2.263 20 0 FEADHO CCc1cnc(CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)s1 ZINC000074842957 542127278 /nfs/dbraw/zinc/12/72/78/542127278.db2.gz RXIKVNNQGKFXGV-HNNXBMFYSA-N 1 3 367.563 2.263 20 0 FEADHO C[C@H]1CCCN1C(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000075684818 542198061 /nfs/dbraw/zinc/19/80/61/542198061.db2.gz FMCWAZZUOIPBKU-OKZBNKHCSA-N 1 3 351.535 2.209 20 0 FEADHO COCCc1nc(C)c([C@H](C)NCCN2CCC([NH+](C)C)CC2)s1 ZINC000092766558 542886485 /nfs/dbraw/zinc/88/64/85/542886485.db2.gz ZGWMDZJAKQMOBA-AWEZNQCLSA-N 1 3 354.564 2.317 20 0 FEADHO C[NH+]1CCC(CCNC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000103305461 543102074 /nfs/dbraw/zinc/10/20/74/543102074.db2.gz JRVNDLKMRFRJPI-UHFFFAOYSA-N 1 3 358.530 2.466 20 0 FEADHO COCCN(C)CCCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103307090 543103032 /nfs/dbraw/zinc/10/30/32/543103032.db2.gz LBORKTUVQFIAPH-LJQANCHMSA-N 1 3 368.566 2.252 20 0 FEADHO C[C@@H](CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C1CC1 ZINC000105244810 543166524 /nfs/dbraw/zinc/16/65/24/543166524.db2.gz SCLDXKAYAIUUMG-PKOBYXMFSA-N 1 3 358.530 2.333 20 0 FEADHO C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C1CC1 ZINC000105244810 543166526 /nfs/dbraw/zinc/16/65/26/543166526.db2.gz SCLDXKAYAIUUMG-PKOBYXMFSA-N 1 3 358.530 2.333 20 0 FEADHO COc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000108537038 543293382 /nfs/dbraw/zinc/29/33/82/543293382.db2.gz RTURMKFYXZVYJH-PXNSSMCTSA-N 1 3 374.529 2.473 20 0 FEADHO COc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000108537038 543293384 /nfs/dbraw/zinc/29/33/84/543293384.db2.gz RTURMKFYXZVYJH-PXNSSMCTSA-N 1 3 374.529 2.473 20 0 FEADHO C[NH+](C)CCCOc1ccc(CNC(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000108573905 543295317 /nfs/dbraw/zinc/29/53/17/543295317.db2.gz YLFCMOHSOKTSIK-IBGZPJMESA-N 1 3 374.529 2.301 20 0 FEADHO CCN1CCN(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000109112727 543314375 /nfs/dbraw/zinc/31/43/75/543314375.db2.gz GABUODITAJXYFI-NRFANRHFSA-N 1 3 372.557 2.042 20 0 FEADHO CCN1CCN(CCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000109112727 543314378 /nfs/dbraw/zinc/31/43/78/543314378.db2.gz GABUODITAJXYFI-NRFANRHFSA-N 1 3 372.557 2.042 20 0 FEADHO CCN1CCN(CCC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000109627241 543329062 /nfs/dbraw/zinc/32/90/62/543329062.db2.gz HKWCLBQZJNNDAZ-GOSISDBHSA-N 1 3 360.546 2.260 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@]3(C)CCC[NH2+]3)CC2)c1 ZINC000121739214 543698954 /nfs/dbraw/zinc/69/89/54/543698954.db2.gz PUBCTDZOFMPQFV-OAQYLSRUSA-N 1 3 358.530 2.156 20 0 FEADHO COc1ccc(OC(C)C)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000120103911 543675535 /nfs/dbraw/zinc/67/55/35/543675535.db2.gz JBGJPKZBOVZUNV-UHFFFAOYSA-N 1 3 366.506 2.440 20 0 FEADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1nccs1 ZINC000125674737 543895719 /nfs/dbraw/zinc/89/57/19/543895719.db2.gz RIVSOJOIGMNCIZ-MRXNPFEDSA-N 1 3 365.547 2.452 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NCCNC(=O)c2ccccc2F)[C@H](C)C1 ZINC000130909912 544170555 /nfs/dbraw/zinc/17/05/55/544170555.db2.gz YMWKBBTTXNTWTL-APWZRJJASA-N 1 3 365.493 2.282 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NCCNC(=O)c2ccccc2F)[C@H](C)C1 ZINC000130909912 544170557 /nfs/dbraw/zinc/17/05/57/544170557.db2.gz YMWKBBTTXNTWTL-APWZRJJASA-N 1 3 365.493 2.282 20 0 FEADHO CN(CCC[NH+]1CCN(C)CC1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000131692901 544202190 /nfs/dbraw/zinc/20/21/90/544202190.db2.gz CNOLZLKLPUUQTO-UHFFFAOYSA-N 1 3 371.428 2.086 20 0 FEADHO COc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)N2CCCC2)cc1 ZINC000139341758 544401649 /nfs/dbraw/zinc/40/16/49/544401649.db2.gz RMYXZSPAQUAJJJ-MJGOQNOKSA-N 1 3 360.502 2.226 20 0 FEADHO COc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+]2C)N2CCCC2)cc1 ZINC000139341758 544401651 /nfs/dbraw/zinc/40/16/51/544401651.db2.gz RMYXZSPAQUAJJJ-MJGOQNOKSA-N 1 3 360.502 2.226 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CCC[N@@H+]3C)c(C)c2)CC1 ZINC000139367557 544402139 /nfs/dbraw/zinc/40/21/39/544402139.db2.gz XDGPDUOOPUENON-GOSISDBHSA-N 1 3 359.518 2.353 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CCC[N@H+]3C)c(C)c2)CC1 ZINC000139367557 544402141 /nfs/dbraw/zinc/40/21/41/544402141.db2.gz XDGPDUOOPUENON-GOSISDBHSA-N 1 3 359.518 2.353 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCc3nc(C)nn3C2)CC1 ZINC000151884086 544591850 /nfs/dbraw/zinc/59/18/50/544591850.db2.gz AMWIDJJWABSNSB-LJQANCHMSA-N 1 3 368.529 2.223 20 0 FEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000186659756 327973917 /nfs/dbraw/zinc/97/39/17/327973917.db2.gz HTTFWOYTKGWHSD-INIZCTEOSA-N 1 3 360.502 2.067 20 0 FEADHO C[C@@H]1CCSCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000188021692 328061033 /nfs/dbraw/zinc/06/10/33/328061033.db2.gz XFSBMXSSYITAEH-OAHLLOKOSA-N 1 3 354.564 2.082 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC2CC[NH+](CCC(C)C)CC2)C1(C)C ZINC000188265066 328076789 /nfs/dbraw/zinc/07/67/89/328076789.db2.gz VKNWZCJHVCCXCY-YLJYHZDGSA-N 1 3 353.551 2.393 20 0 FEADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188760461 328109157 /nfs/dbraw/zinc/10/91/57/328109157.db2.gz JDICKMHSVPAENA-AWEZNQCLSA-N 1 3 353.470 2.011 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCCN2CCCC[C@H]2C)cc1 ZINC000189416874 328146870 /nfs/dbraw/zinc/14/68/70/328146870.db2.gz ZMQZEGSEPNYPGM-QGZVFWFLSA-N 1 3 374.529 2.458 20 0 FEADHO C[NH+](C)CCOc1ccc(CNC(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000045409899 324577513 /nfs/dbraw/zinc/57/75/13/324577513.db2.gz AUXPUFPYURFPBF-UHFFFAOYSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)ccc2oc1=O ZINC000237001942 328501197 /nfs/dbraw/zinc/50/11/97/328501197.db2.gz UEMSBCLCSCAROG-BPUTZDHNSA-N 1 3 372.469 2.015 20 0 FEADHO COc1cc(CNC(=O)C[C@@H](N)c2ccccc2)ccc1OCC[NH+](C)C ZINC000237342260 328513145 /nfs/dbraw/zinc/51/31/45/328513145.db2.gz XIZZTZSIUBPJJY-GOSISDBHSA-N 1 3 371.481 2.342 20 0 FEADHO C[C@H]1CCCN(CCNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000079171204 325080254 /nfs/dbraw/zinc/08/02/54/325080254.db2.gz QIOYDVKNLKILSB-KRWDZBQOSA-N 1 3 362.518 2.158 20 0 FEADHO C[C@@H](CNC(=O)NCc1ccc(OCCN(C)C)cc1)C[NH+]1CCCC1 ZINC000079988287 325112900 /nfs/dbraw/zinc/11/29/00/325112900.db2.gz OWVVVCFCZABCTO-KRWDZBQOSA-N 1 3 362.518 2.158 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(N(C)C)CCOCC2)CC1 ZINC000088723713 325299781 /nfs/dbraw/zinc/29/97/81/325299781.db2.gz SACYJFVPTJPKQX-UHFFFAOYSA-N 1 3 374.573 2.419 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)CC[N@@H+]1C ZINC000091232824 325381829 /nfs/dbraw/zinc/38/18/29/325381829.db2.gz GRKCJWKDKPYYCF-QFBILLFUSA-N 1 3 359.518 2.422 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)CC[N@H+]1C ZINC000091232824 325381831 /nfs/dbraw/zinc/38/18/31/325381831.db2.gz GRKCJWKDKPYYCF-QFBILLFUSA-N 1 3 359.518 2.422 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000093405171 325444392 /nfs/dbraw/zinc/44/43/92/325444392.db2.gz YQAJNECDSPBFPV-NVXWUHKLSA-N 1 3 358.534 2.270 20 0 FEADHO CN(CC[NH+]1CCCC1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000112750777 325805309 /nfs/dbraw/zinc/80/53/09/325805309.db2.gz RFSXSJQWZYYNFJ-UHFFFAOYSA-N 1 3 368.591 2.475 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116589864 326026114 /nfs/dbraw/zinc/02/61/14/326026114.db2.gz PYUXVFMELRRQLU-KRWDZBQOSA-N 1 3 362.518 2.169 20 0 FEADHO CN(CCC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841291 326107969 /nfs/dbraw/zinc/10/79/69/326107969.db2.gz MAVROVKDNNLGSW-GOSISDBHSA-N 1 3 374.529 2.125 20 0 FEADHO CN(CCC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841291 326107972 /nfs/dbraw/zinc/10/79/72/326107972.db2.gz MAVROVKDNNLGSW-GOSISDBHSA-N 1 3 374.529 2.125 20 0 FEADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CN1C1CC1 ZINC000119885222 326208793 /nfs/dbraw/zinc/20/87/93/326208793.db2.gz LBUSSTKBXWTHIO-PXNSSMCTSA-N 1 3 370.541 2.227 20 0 FEADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CN1C1CC1 ZINC000119885063 326209153 /nfs/dbraw/zinc/20/91/53/326209153.db2.gz LBUSSTKBXWTHIO-XLIONFOSSA-N 1 3 370.541 2.227 20 0 FEADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000120234883 326242789 /nfs/dbraw/zinc/24/27/89/326242789.db2.gz KIPXCLXNPQURQD-OAQYLSRUSA-N 1 3 373.541 2.424 20 0 FEADHO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000121048765 326309513 /nfs/dbraw/zinc/30/95/13/326309513.db2.gz PHZGWMXKDSOPTN-UHFFFAOYSA-N 1 3 360.502 2.021 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1csc(-c2ccco2)n1 ZINC000121538482 326346520 /nfs/dbraw/zinc/34/65/20/326346520.db2.gz NDCXLVXMSJWSLC-UHFFFAOYSA-N 1 3 365.503 2.038 20 0 FEADHO CC[NH+]1CCC(CCN[C@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000121747964 326364067 /nfs/dbraw/zinc/36/40/67/326364067.db2.gz PDRQHHZEIAWNIY-OAHLLOKOSA-N 1 3 353.532 2.367 20 0 FEADHO Cc1ccccc1-c1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n(C)n1 ZINC000133622510 326612026 /nfs/dbraw/zinc/61/20/26/326612026.db2.gz ZIOSYZGMTOASQV-UHFFFAOYSA-N 1 3 372.517 2.353 20 0 FEADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246255198 328603098 /nfs/dbraw/zinc/60/30/98/328603098.db2.gz KGQYLZHJDMMWGO-TYPHKJRUSA-N 1 3 371.525 2.180 20 0 FEADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)[C@H](C)C1 ZINC000162020658 327014853 /nfs/dbraw/zinc/01/48/53/327014853.db2.gz MEIURJXFRAPZGL-UYAOXDASSA-N 1 3 361.530 2.218 20 0 FEADHO O=C(c1ccc(CN2CCC(CO)CC2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000162974651 327039457 /nfs/dbraw/zinc/03/94/57/327039457.db2.gz AQBROPHZKFLENH-NRFANRHFSA-N 1 3 371.525 2.201 20 0 FEADHO C[C@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@H](N)c1ccccc1 ZINC000166609661 327082503 /nfs/dbraw/zinc/08/25/03/327082503.db2.gz CLJATTQVFHXHAF-JTJHWIPRSA-N 1 3 372.557 2.340 20 0 FEADHO C[C@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@H](N)c1ccccc1 ZINC000166609661 327082504 /nfs/dbraw/zinc/08/25/04/327082504.db2.gz CLJATTQVFHXHAF-JTJHWIPRSA-N 1 3 372.557 2.340 20 0 FEADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168902838 327087838 /nfs/dbraw/zinc/08/78/38/327087838.db2.gz YOCCIYGYVCXHBR-FQEVSTJZSA-N 1 3 361.530 2.188 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000173180663 327239681 /nfs/dbraw/zinc/23/96/81/327239681.db2.gz MUMJSPZSYIUWQD-UXHICEINSA-N 1 3 372.557 2.448 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000173180663 327239682 /nfs/dbraw/zinc/23/96/82/327239682.db2.gz MUMJSPZSYIUWQD-UXHICEINSA-N 1 3 372.557 2.448 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)NCc2cccc(OCCN(C)C)c2)CC[N@@H+]1C ZINC000173755158 327281683 /nfs/dbraw/zinc/28/16/83/327281683.db2.gz BZTBUACCXSNFLF-WMZOPIPTSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)NCc2cccc(OCCN(C)C)c2)CC[N@H+]1C ZINC000173755158 327281684 /nfs/dbraw/zinc/28/16/84/327281684.db2.gz BZTBUACCXSNFLF-WMZOPIPTSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCN1C ZINC000173755158 327281685 /nfs/dbraw/zinc/28/16/85/327281685.db2.gz BZTBUACCXSNFLF-WMZOPIPTSA-N 1 3 362.518 2.251 20 0 FEADHO CC(C)[NH+](CCCNC(=O)N1CCN(CC2CCOCC2)CC1)C(C)C ZINC000174360206 327322155 /nfs/dbraw/zinc/32/21/55/327322155.db2.gz WNLJWHZOZBCFNR-UHFFFAOYSA-N 1 3 368.566 2.249 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000175733980 327409709 /nfs/dbraw/zinc/40/97/09/327409709.db2.gz HFXCWJNEUATWDJ-ROUUACIJSA-N 1 3 362.518 2.299 20 0 FEADHO CC[N@@H+]1CCCN(CC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)CC1 ZINC000264261763 329005562 /nfs/dbraw/zinc/00/55/62/329005562.db2.gz ITNSRZKBSPVCHQ-UHFFFAOYSA-N 1 3 372.557 2.057 20 0 FEADHO CC[N@H+]1CCCN(CC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)CC1 ZINC000264261763 329005563 /nfs/dbraw/zinc/00/55/63/329005563.db2.gz ITNSRZKBSPVCHQ-UHFFFAOYSA-N 1 3 372.557 2.057 20 0 FEADHO CN1CCN(CC2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000265429782 329125962 /nfs/dbraw/zinc/12/59/62/329125962.db2.gz MMBYHVWOSFLZQU-UHFFFAOYSA-N 1 3 353.514 2.332 20 0 FEADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000267511186 329334292 /nfs/dbraw/zinc/33/42/92/329334292.db2.gz LUMOVNGFFWXULJ-IHPCNDPISA-N 1 3 374.529 2.059 20 0 FEADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000267511186 329334294 /nfs/dbraw/zinc/33/42/94/329334294.db2.gz LUMOVNGFFWXULJ-IHPCNDPISA-N 1 3 374.529 2.059 20 0 FEADHO CC(C)Nc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000267878427 329365009 /nfs/dbraw/zinc/36/50/09/329365009.db2.gz WATKIUNXFIGWPY-UHFFFAOYSA-N 1 3 359.518 2.190 20 0 FEADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1(O)CCN(C)CC1 ZINC000269001320 329476849 /nfs/dbraw/zinc/47/68/49/329476849.db2.gz PHQFZVDTDRROBE-CYBMUJFWSA-N 1 3 373.419 2.469 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H](N)CCSC)cc1 ZINC000272452630 329782414 /nfs/dbraw/zinc/78/24/14/329782414.db2.gz MXGHIIJNWYQBPG-KRWDZBQOSA-N 1 3 353.532 2.104 20 0 FEADHO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1c(C)nn(C)c1N1CCCN(C)CC1 ZINC000367056811 330212085 /nfs/dbraw/zinc/21/20/85/330212085.db2.gz CCJCSHOWERAGDN-PKOBYXMFSA-N 1 3 363.550 2.165 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000478959189 561178811 /nfs/dbraw/zinc/17/88/11/561178811.db2.gz QVRGVYYDLUWDNI-LNLFQRSKSA-N 1 3 359.514 2.391 20 0 FEADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H](CN)c2ccc(F)cc2)cc1 ZINC000479206279 561184462 /nfs/dbraw/zinc/18/44/62/561184462.db2.gz PEYQYJPSXFKMIC-GOSISDBHSA-N 1 3 372.444 2.397 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000479374516 561188360 /nfs/dbraw/zinc/18/83/60/561188360.db2.gz BYSADUQENVBVTK-VQIMIIECSA-N 1 3 362.518 2.329 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000479374516 561188361 /nfs/dbraw/zinc/18/83/61/561188361.db2.gz BYSADUQENVBVTK-VQIMIIECSA-N 1 3 362.518 2.329 20 0 FEADHO Cc1cccn2c(CNCc3ccc(C(=O)NCC[NH+](C)C)cc3)cnc12 ZINC000174411618 546295328 /nfs/dbraw/zinc/29/53/28/546295328.db2.gz DTQGWBORVSLCNT-UHFFFAOYSA-N 1 3 365.481 2.224 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(Cl)cn3)CC2)CC1 ZINC000175856328 546362657 /nfs/dbraw/zinc/36/26/57/546362657.db2.gz HXNANEXIPJXHGC-UHFFFAOYSA-N 1 3 351.882 2.415 20 0 FEADHO CN(C)[C@]1(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCSC1 ZINC000480259472 561205845 /nfs/dbraw/zinc/20/58/45/561205845.db2.gz FULAUUXANHWYRT-ICSRJNTNSA-N 1 3 361.555 2.452 20 0 FEADHO CN(C)[C@]1(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCSC1 ZINC000480259472 561205846 /nfs/dbraw/zinc/20/58/46/561205846.db2.gz FULAUUXANHWYRT-ICSRJNTNSA-N 1 3 361.555 2.452 20 0 FEADHO COC1(C[NH2+]Cc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)CCCC1 ZINC000480369085 561208014 /nfs/dbraw/zinc/20/80/14/561208014.db2.gz AGCCEEFDWNVEBJ-IBGZPJMESA-N 1 3 359.514 2.433 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481022805 561223105 /nfs/dbraw/zinc/22/31/05/561223105.db2.gz KJQZSKYTAWGTPA-JFIYKMOQSA-N 1 3 356.580 2.091 20 0 FEADHO CN(C)[C@@]1(CNC(=O)NCC2([NH+](C)C)CCCCCC2)CCSC1 ZINC000481243128 561228862 /nfs/dbraw/zinc/22/88/62/561228862.db2.gz SLCPGCGFBAPAEV-GOSISDBHSA-N 1 3 356.580 2.378 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+][C@@H](C)C(=O)NCc2ccccc2)[C@H](C)C1 ZINC000177943835 546711968 /nfs/dbraw/zinc/71/19/68/546711968.db2.gz IQWUKBYQFKJLTL-WSTZPKSXSA-N 1 3 361.530 2.418 20 0 FEADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178520763 546807527 /nfs/dbraw/zinc/80/75/27/546807527.db2.gz JLGMDCOHZJIHIY-OAHLLOKOSA-N 1 3 360.502 2.468 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H]2C[C@@H](C)O)CC1 ZINC000179087770 546896823 /nfs/dbraw/zinc/89/68/23/546896823.db2.gz SLYMUJJGFLDYEV-NQIIRXRSSA-N 1 3 373.541 2.311 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H]2C(C)(C)O)CC1 ZINC000179430810 546952800 /nfs/dbraw/zinc/95/28/00/546952800.db2.gz VPKIMAQJJPABGW-FQEVSTJZSA-N 1 3 373.541 2.311 20 0 FEADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000482151259 561249143 /nfs/dbraw/zinc/24/91/43/561249143.db2.gz OAMYWVJFTLZHEZ-SJORKVTESA-N 1 3 364.534 2.341 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000483093809 561267186 /nfs/dbraw/zinc/26/71/86/561267186.db2.gz CDILCTYACAMGBO-QGZVFWFLSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@H](CC[NH+](C)C)NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000483782744 561283994 /nfs/dbraw/zinc/28/39/94/561283994.db2.gz IJFNBXANOQGAMG-MRXNPFEDSA-N 1 3 356.580 2.378 20 0 FEADHO C[NH+](C)[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000483830096 561284806 /nfs/dbraw/zinc/28/48/06/561284806.db2.gz NSJNLQFIQWRLLY-KRWDZBQOSA-N 1 3 368.591 2.474 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN(CCOC(C)C)CC2)C[C@H]1C ZINC000483824620 561284809 /nfs/dbraw/zinc/28/48/09/561284809.db2.gz UQLRTFQPLYGQAQ-MJGOQNOKSA-N 1 3 368.566 2.390 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(CCOC(C)C)CC2)C[C@H]1C ZINC000483824620 561284810 /nfs/dbraw/zinc/28/48/10/561284810.db2.gz UQLRTFQPLYGQAQ-MJGOQNOKSA-N 1 3 368.566 2.390 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)ccn1 ZINC000183213446 547621798 /nfs/dbraw/zinc/62/17/98/547621798.db2.gz WBCIXJPRTXKSHP-UHFFFAOYSA-N 1 3 360.502 2.113 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)ccn1 ZINC000183213446 547621802 /nfs/dbraw/zinc/62/18/02/547621802.db2.gz WBCIXJPRTXKSHP-UHFFFAOYSA-N 1 3 360.502 2.113 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4c3cccc4F)CC2)CC1 ZINC000184484813 547834615 /nfs/dbraw/zinc/83/46/15/547834615.db2.gz DGPKTSDRFITPSC-UHFFFAOYSA-N 1 3 360.477 2.456 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000184602419 547852684 /nfs/dbraw/zinc/85/26/84/547852684.db2.gz QFDUNTKTILRVMO-RLLQIKCJSA-N 1 3 360.546 2.068 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000184602419 547852687 /nfs/dbraw/zinc/85/26/87/547852687.db2.gz QFDUNTKTILRVMO-RLLQIKCJSA-N 1 3 360.546 2.068 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NCC[NH+]3CCCCC3)c2)CC1 ZINC000184912253 547897699 /nfs/dbraw/zinc/89/76/99/547897699.db2.gz XLIWZHAZHFKBFI-UHFFFAOYSA-N 1 3 359.518 2.436 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC000187013640 548240749 /nfs/dbraw/zinc/24/07/49/548240749.db2.gz RUJUREBURXYYHW-GDBMZVCRSA-N 1 3 352.479 2.038 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC000187013640 548240754 /nfs/dbraw/zinc/24/07/54/548240754.db2.gz RUJUREBURXYYHW-GDBMZVCRSA-N 1 3 352.479 2.038 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+][C@@H](C)C(=O)NCc2cccs2)[C@H](C)C1 ZINC000187016860 548241661 /nfs/dbraw/zinc/24/16/61/548241661.db2.gz WIGMGIFOVMYZBO-SOLBZPMBSA-N 1 3 367.559 2.479 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NCc2cccs2)[C@H](C)C1 ZINC000187016835 548241708 /nfs/dbraw/zinc/24/17/08/548241708.db2.gz WIGMGIFOVMYZBO-RYRKJORJSA-N 1 3 367.559 2.479 20 0 FEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000486632461 561352823 /nfs/dbraw/zinc/35/28/23/561352823.db2.gz RJJLVCRAAYOHTD-IBGZPJMESA-N 1 3 359.514 2.465 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2[nH]c1=O ZINC000194872855 548543667 /nfs/dbraw/zinc/54/36/67/548543667.db2.gz QJVOCXJFAHZVOM-QGZVFWFLSA-N 1 3 370.497 2.016 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2[nH]c1=O ZINC000194872855 548543669 /nfs/dbraw/zinc/54/36/69/548543669.db2.gz QJVOCXJFAHZVOM-QGZVFWFLSA-N 1 3 370.497 2.016 20 0 FEADHO C[C@H](c1ccccc1Br)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221166570 548702276 /nfs/dbraw/zinc/70/22/76/548702276.db2.gz VMWSWSLKZOEUDO-CHWSQXEVSA-N 1 3 354.292 2.297 20 0 FEADHO CCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000236852005 548783292 /nfs/dbraw/zinc/78/32/92/548783292.db2.gz OLYXYBIQILIVFZ-ROUUACIJSA-N 1 3 360.502 2.309 20 0 FEADHO C[C@@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)[C@H]1C[NH3+] ZINC000237400894 548822839 /nfs/dbraw/zinc/82/28/39/548822839.db2.gz FEGPFFUZHCLUBA-QUCCMNQESA-N 1 3 358.530 2.175 20 0 FEADHO C[C@@H](CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237485089 548829670 /nfs/dbraw/zinc/82/96/70/548829670.db2.gz VSURBJTYZXXABI-GHTZIAJQSA-N 1 3 372.557 2.076 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000237520540 548832682 /nfs/dbraw/zinc/83/26/82/548832682.db2.gz FLCZIRJASVGBJM-HXUWFJFHSA-N 1 3 371.525 2.413 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000237719786 548846916 /nfs/dbraw/zinc/84/69/16/548846916.db2.gz ATGYZWTUEWKILE-QUCCMNQESA-N 1 3 358.530 2.141 20 0 FEADHO O=C(N1CCC[NH2+]CC1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237783808 548852113 /nfs/dbraw/zinc/85/21/13/548852113.db2.gz UNYDLGLSZKJXFY-KRWDZBQOSA-N 1 3 355.404 2.263 20 0 FEADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCN(C)Cc2ccccc2)C[C@@H](C)C1 ZINC000488041149 561382047 /nfs/dbraw/zinc/38/20/47/561382047.db2.gz HGVVQQCIMPRGKM-NLWGTHIKSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NCCN(C)Cc2ccccc2)C[C@@H](C)C1 ZINC000488041149 561382048 /nfs/dbraw/zinc/38/20/48/561382048.db2.gz HGVVQQCIMPRGKM-NLWGTHIKSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@]3(CCN(C)C3)C2)C1 ZINC000488076352 561382916 /nfs/dbraw/zinc/38/29/16/561382916.db2.gz PVNWRCJYFJKFNI-QKLQHJQFSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@]3(CCN(C)C3)C2)C1 ZINC000488076352 561382917 /nfs/dbraw/zinc/38/29/17/561382917.db2.gz PVNWRCJYFJKFNI-QKLQHJQFSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000246148860 549063979 /nfs/dbraw/zinc/06/39/79/549063979.db2.gz KBXCJJCZLVIKLZ-ZWKOTPCHSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000246148860 549063983 /nfs/dbraw/zinc/06/39/83/549063983.db2.gz KBXCJJCZLVIKLZ-ZWKOTPCHSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@H]([NH2+]C1(CNC(=O)[C@H]2CN3CCN2CCC3)CCCC1)c1ccccc1 ZINC000488360802 561388609 /nfs/dbraw/zinc/38/86/09/561388609.db2.gz PGJOHSLUMWCBCA-AZUAARDMSA-N 1 3 370.541 2.156 20 0 FEADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NCC3(N4CCSCC4)CCCC3)C2)C1 ZINC000488425044 561389629 /nfs/dbraw/zinc/38/96/29/561389629.db2.gz ZFPUWDVCDGFXBR-SFHVURJKSA-N 1 3 366.575 2.085 20 0 FEADHO C[N@H+]1CC[C@]2(CCN(C(=O)NCC3(N4CCSCC4)CCCC3)C2)C1 ZINC000488425044 561389630 /nfs/dbraw/zinc/38/96/30/561389630.db2.gz ZFPUWDVCDGFXBR-SFHVURJKSA-N 1 3 366.575 2.085 20 0 FEADHO CCC[NH+]1CCC(CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000488600049 561392650 /nfs/dbraw/zinc/39/26/50/561392650.db2.gz PSXAJBVGGIWHHD-ZIFCJYIRSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000246475093 549141915 /nfs/dbraw/zinc/14/19/15/549141915.db2.gz GFFDZSLUMGXYJR-MBOZVWFJSA-N 1 3 371.529 2.485 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000246475093 549141917 /nfs/dbraw/zinc/14/19/17/549141917.db2.gz GFFDZSLUMGXYJR-MBOZVWFJSA-N 1 3 371.529 2.485 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCCN2CC)[C@H](C)C1 ZINC000247295736 549313584 /nfs/dbraw/zinc/31/35/84/549313584.db2.gz ULUDAFAPFLNBSI-QYZOEREBSA-N 1 3 368.566 2.297 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCCN2CC)[C@H](C)C1 ZINC000247295736 549313586 /nfs/dbraw/zinc/31/35/86/549313586.db2.gz ULUDAFAPFLNBSI-QYZOEREBSA-N 1 3 368.566 2.297 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@H]1CCCCO1 ZINC000248417508 549433038 /nfs/dbraw/zinc/43/30/38/549433038.db2.gz RIFBVBQFFAAROL-QZTJIDSGSA-N 1 3 354.539 2.003 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@H]1CCCCO1 ZINC000248417508 549433042 /nfs/dbraw/zinc/43/30/42/549433042.db2.gz RIFBVBQFFAAROL-QZTJIDSGSA-N 1 3 354.539 2.003 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000248796983 549503245 /nfs/dbraw/zinc/50/32/45/549503245.db2.gz UHYJVVSSTRWMGW-LPHOPBHVSA-N 1 3 374.529 2.408 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000248875723 549518541 /nfs/dbraw/zinc/51/85/41/549518541.db2.gz QZUZDSNVOLXJRT-POAQFYNOSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000248875723 549518548 /nfs/dbraw/zinc/51/85/48/549518548.db2.gz QZUZDSNVOLXJRT-POAQFYNOSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)C[C@@H](C)C1 ZINC000489987900 561424006 /nfs/dbraw/zinc/42/40/06/561424006.db2.gz DUWHJDNXHJJPOS-OKZBNKHCSA-N 1 3 350.551 2.480 20 0 FEADHO O=C(CCN1CC[C@H](N2CC[NH2+]CC2)C1)Nc1c(Cl)cccc1Cl ZINC000261606302 549733743 /nfs/dbraw/zinc/73/37/43/549733743.db2.gz CTJPJIZYHXMBJA-ZDUSSCGKSA-N 1 3 371.312 2.302 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000261754182 549751270 /nfs/dbraw/zinc/75/12/70/549751270.db2.gz HNEJVMGFOVYDKN-ZIFCJYIRSA-N 1 3 351.535 2.114 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC4(CC[NH2+]C4)CC3)CC2)c1 ZINC000261879362 549764698 /nfs/dbraw/zinc/76/46/98/549764698.db2.gz TWPYXQPNKLVUFE-UHFFFAOYSA-N 1 3 370.541 2.109 20 0 FEADHO CCC(CC)(C[NH3+])C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000261986024 549777094 /nfs/dbraw/zinc/77/70/94/549777094.db2.gz OPJOIIYYVQBNCO-UHFFFAOYSA-N 1 3 360.502 2.088 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1)[C@H]1CCCN(C)C1 ZINC000262273900 549804918 /nfs/dbraw/zinc/80/49/18/549804918.db2.gz JCERUOKMDVZNIM-LNLFQRSKSA-N 1 3 372.513 2.309 20 0 FEADHO CN1CCC[C@H](CNC(=O)C2(C[NH3+])CCOCC2)[C@H]1c1cccs1 ZINC000262287801 549807025 /nfs/dbraw/zinc/80/70/25/549807025.db2.gz OLUSTPXHYYPXDF-ZBFHGGJFSA-N 1 3 351.516 2.003 20 0 FEADHO COCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]CC1 ZINC000262345395 549813261 /nfs/dbraw/zinc/81/32/61/549813261.db2.gz HPPHQGRGOXZFOB-PKOBYXMFSA-N 1 3 359.514 2.172 20 0 FEADHO [NH3+]CCc1nc(C(=O)NCC2(N3CCSCC3)CCCCC2)cs1 ZINC000262357617 549813574 /nfs/dbraw/zinc/81/35/74/549813574.db2.gz JSKSZBYYYFUGPL-UHFFFAOYSA-N 1 3 368.572 2.126 20 0 FEADHO NCc1nnc(-c2ccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])cc2)[nH]1 ZINC000262363545 549814227 /nfs/dbraw/zinc/81/42/27/549814227.db2.gz KSTPTGHBDPTHKV-HFZWIWRYSA-N 1 3 354.458 2.023 20 0 FEADHO CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000262711685 549842080 /nfs/dbraw/zinc/84/20/80/549842080.db2.gz QVWKUEGQFJOUBC-YLJYHZDGSA-N 1 3 360.502 2.309 20 0 FEADHO CCC[C@](C)([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000262711683 549842093 /nfs/dbraw/zinc/84/20/93/549842093.db2.gz QVWKUEGQFJOUBC-PXNSSMCTSA-N 1 3 360.502 2.309 20 0 FEADHO CN1CCC(CNC(=O)C[C@H](N)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000262746417 549845551 /nfs/dbraw/zinc/84/55/51/549845551.db2.gz BBLHLXHLBQNKPX-IBGZPJMESA-N 1 3 358.530 2.143 20 0 FEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCN1CCN(CC)CC1 ZINC000263873823 549948938 /nfs/dbraw/zinc/94/89/38/549948938.db2.gz NZLFOFRTENTXAD-UHFFFAOYSA-N 1 3 360.546 2.124 20 0 FEADHO O=C(C[C@@H]1CNCCO1)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000269264371 550173468 /nfs/dbraw/zinc/17/34/68/550173468.db2.gz OIKVLKAINIWTGC-OAQYLSRUSA-N 1 3 373.541 2.216 20 0 FEADHO C[C@]1(CO)CCC[C@@H]1NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000493391774 561455806 /nfs/dbraw/zinc/45/58/06/561455806.db2.gz WTONWNJMHHFXGK-PZJWPPBQSA-N 1 3 359.514 2.039 20 0 FEADHO C[C@@H](Cn1cccn1)NCc1cccc(C[NH2+][C@@H](C)Cn2cccn2)c1 ZINC000270729072 550301380 /nfs/dbraw/zinc/30/13/80/550301380.db2.gz MVAXZHJQWIZWNP-ROUUACIJSA-N 1 3 352.486 2.436 20 0 FEADHO CC[C@H](C)[C@@H]1CN(CCn2ccnc2C)CC[N@@H+]1CCn1ccnc1C ZINC000270848968 550313497 /nfs/dbraw/zinc/31/34/97/550313497.db2.gz HNKUIDAVILGJDF-PXNSSMCTSA-N 1 3 358.534 2.429 20 0 FEADHO CC[C@H](C)[C@@H]1CN(CCn2ccnc2C)CC[N@H+]1CCn1ccnc1C ZINC000270848968 550313499 /nfs/dbraw/zinc/31/34/99/550313499.db2.gz HNKUIDAVILGJDF-PXNSSMCTSA-N 1 3 358.534 2.429 20 0 FEADHO OCC[C@@H](NCCOCC[NH2+][C@H](CCO)c1ccccc1)c1ccccc1 ZINC000271632827 550391147 /nfs/dbraw/zinc/39/11/47/550391147.db2.gz FZEFTHBEIRPTAT-FGZHOGPDSA-N 1 3 372.509 2.430 20 0 FEADHO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272875949 550475005 /nfs/dbraw/zinc/47/50/05/550475005.db2.gz XAIBMKDJGIFLAN-SXLOBPIMSA-N 1 3 360.498 2.409 20 0 FEADHO C[C@H](NC[C@H]1COC2(CCOCC2)O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272875949 550475007 /nfs/dbraw/zinc/47/50/07/550475007.db2.gz XAIBMKDJGIFLAN-SXLOBPIMSA-N 1 3 360.498 2.409 20 0 FEADHO C[C@H](NC[C@H]1COC2(CCOCC2)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272875949 550475008 /nfs/dbraw/zinc/47/50/08/550475008.db2.gz XAIBMKDJGIFLAN-SXLOBPIMSA-N 1 3 360.498 2.409 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CCCO1 ZINC000277718977 550706112 /nfs/dbraw/zinc/70/61/12/550706112.db2.gz PKENKHSYRUMIGC-RLLQIKCJSA-N 1 3 374.529 2.232 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CCCO1 ZINC000277718977 550706114 /nfs/dbraw/zinc/70/61/14/550706114.db2.gz PKENKHSYRUMIGC-RLLQIKCJSA-N 1 3 374.529 2.232 20 0 FEADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C3CCN(C4CC4)CC3)nc2)CC1 ZINC000279115914 550855569 /nfs/dbraw/zinc/85/55/69/550855569.db2.gz ZCOKMYXVAPWVDN-UHFFFAOYSA-N 1 3 371.529 2.425 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000279886321 550939500 /nfs/dbraw/zinc/93/95/00/550939500.db2.gz GXKJNSLRPDWGGR-GOEBONIOSA-N 1 3 358.511 2.285 20 0 FEADHO NC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000497326647 561498394 /nfs/dbraw/zinc/49/83/94/561498394.db2.gz XUFOCSNKVIUDBI-RBUKOAKNSA-N 1 3 357.498 2.007 20 0 FEADHO NC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000497326647 561498395 /nfs/dbraw/zinc/49/83/95/561498395.db2.gz XUFOCSNKVIUDBI-RBUKOAKNSA-N 1 3 357.498 2.007 20 0 FEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282161625 551188835 /nfs/dbraw/zinc/18/88/35/551188835.db2.gz DMJNAVGDGDPGFS-INIZCTEOSA-N 1 3 362.518 2.028 20 0 FEADHO N[C@@H](CC(F)F)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000498207315 561518591 /nfs/dbraw/zinc/51/85/91/561518591.db2.gz XOSIADZWHQDMNB-HNNXBMFYSA-N 1 3 368.428 2.422 20 0 FEADHO C[C@@H](NC(=O)NCCNc1ccncc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498692354 561532062 /nfs/dbraw/zinc/53/20/62/561532062.db2.gz XSIGRDMSYOVFOS-MJGOQNOKSA-N 1 3 367.497 2.125 20 0 FEADHO C[C@@H](NC(=O)NCCNc1ccncc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498692354 561532063 /nfs/dbraw/zinc/53/20/63/561532063.db2.gz XSIGRDMSYOVFOS-MJGOQNOKSA-N 1 3 367.497 2.125 20 0 FEADHO CN(Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000285306482 551735199 /nfs/dbraw/zinc/73/51/99/551735199.db2.gz SHNJFDKNMBAWEE-LMDPOFIKSA-N 1 3 350.528 2.454 20 0 FEADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000285890602 551824193 /nfs/dbraw/zinc/82/41/93/551824193.db2.gz CKPBLPVUDCEKKP-CVEARBPZSA-N 1 3 373.419 2.102 20 0 FEADHO C[N@@H+]1CCC[C@H]1CCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000286194544 551859577 /nfs/dbraw/zinc/85/95/77/551859577.db2.gz XRXBIJJZYRTYTM-FCHUYYIVSA-N 1 3 356.558 2.363 20 0 FEADHO C[N@H+]1CCC[C@H]1CCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000286194544 551859578 /nfs/dbraw/zinc/85/95/78/551859578.db2.gz XRXBIJJZYRTYTM-FCHUYYIVSA-N 1 3 356.558 2.363 20 0 FEADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286225654 551863278 /nfs/dbraw/zinc/86/32/78/551863278.db2.gz SOXWPKBRKMBSGQ-GDIGMMSISA-N 1 3 373.497 2.436 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000499303623 561548296 /nfs/dbraw/zinc/54/82/96/561548296.db2.gz OOENMVZJSIWHJS-ALKREAHSSA-N 1 3 360.502 2.222 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000499303623 561548297 /nfs/dbraw/zinc/54/82/97/561548297.db2.gz OOENMVZJSIWHJS-ALKREAHSSA-N 1 3 360.502 2.222 20 0 FEADHO FC(F)(F)[C@@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CCO1 ZINC000287621053 552026426 /nfs/dbraw/zinc/02/64/26/552026426.db2.gz JVQLZZPWIPAEGT-RDJZCZTQSA-N 1 3 372.435 2.293 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCCN(C)CC2)N(C)C)cc1 ZINC000287871761 552057305 /nfs/dbraw/zinc/05/73/05/552057305.db2.gz DUYYKFJPDPEZRZ-IBGZPJMESA-N 1 3 362.518 2.424 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[N@H+](C)CC2)N(C)C)cc1 ZINC000287871761 552057307 /nfs/dbraw/zinc/05/73/07/552057307.db2.gz DUYYKFJPDPEZRZ-IBGZPJMESA-N 1 3 362.518 2.424 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC[N@@H+](C)CC2)N(C)C)cc1 ZINC000287871761 552057308 /nfs/dbraw/zinc/05/73/08/552057308.db2.gz DUYYKFJPDPEZRZ-IBGZPJMESA-N 1 3 362.518 2.424 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCCN(C)CC2)[NH+](C)C)cc1 ZINC000287871761 552057309 /nfs/dbraw/zinc/05/73/09/552057309.db2.gz DUYYKFJPDPEZRZ-IBGZPJMESA-N 1 3 362.518 2.424 20 0 FEADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000288210766 552111063 /nfs/dbraw/zinc/11/10/63/552111063.db2.gz QFPRPADRULNFLB-INIZCTEOSA-N 1 3 374.529 2.456 20 0 FEADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000288210766 552111065 /nfs/dbraw/zinc/11/10/65/552111065.db2.gz QFPRPADRULNFLB-INIZCTEOSA-N 1 3 374.529 2.456 20 0 FEADHO CC(C)N1CCN(CCC[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)CC1 ZINC000500979616 561586965 /nfs/dbraw/zinc/58/69/65/561586965.db2.gz CBRIBEJLRGOVRP-OALUTQOASA-N 1 3 355.592 2.389 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)CC1 ZINC000500979616 561586966 /nfs/dbraw/zinc/58/69/66/561586966.db2.gz CBRIBEJLRGOVRP-OALUTQOASA-N 1 3 355.592 2.389 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CCN1Cc1ccccc1 ZINC000291823470 552665359 /nfs/dbraw/zinc/66/53/59/552665359.db2.gz FIAWYNHIHDNEJI-QFUCXCTJSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CCN1Cc1ccccc1 ZINC000291823470 552665360 /nfs/dbraw/zinc/66/53/60/552665360.db2.gz FIAWYNHIHDNEJI-QFUCXCTJSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1CCC[N@H+](CCNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000501556474 561600636 /nfs/dbraw/zinc/60/06/36/561600636.db2.gz YJAJJMMZRFVDQE-GOSISDBHSA-N 1 3 358.530 2.466 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000501556474 561600637 /nfs/dbraw/zinc/60/06/37/561600637.db2.gz YJAJJMMZRFVDQE-GOSISDBHSA-N 1 3 358.530 2.466 20 0 FEADHO O=C1COc2ccc(C[NH2+]CC3CCN(c4ccncc4)CC3)cc2N1 ZINC000293585101 552837906 /nfs/dbraw/zinc/83/79/06/552837906.db2.gz KBZHAIBBIMNGOK-UHFFFAOYSA-N 1 3 352.438 2.419 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000501734337 561604312 /nfs/dbraw/zinc/60/43/12/561604312.db2.gz NVQHOYJZCGWGGL-VQTJNVASSA-N 1 3 356.514 2.361 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000501734337 561604313 /nfs/dbraw/zinc/60/43/13/561604313.db2.gz NVQHOYJZCGWGGL-VQTJNVASSA-N 1 3 356.514 2.361 20 0 FEADHO O=C1[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CCN1Cc1ccccc1 ZINC000294147581 552885488 /nfs/dbraw/zinc/88/54/88/552885488.db2.gz HBGPXBSRWOTSQI-HXUWFJFHSA-N 1 3 350.466 2.441 20 0 FEADHO CCOC(=O)c1cc(C[NH2+]CCCCN2CCN(CC)CC2)[nH]c1C ZINC000295215046 552970480 /nfs/dbraw/zinc/97/04/80/552970480.db2.gz AXPUCLYQNRNNFI-UHFFFAOYSA-N 1 3 350.507 2.007 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCCN(CCCO)C2)cc1)C(C)C ZINC000295378471 552996651 /nfs/dbraw/zinc/99/66/51/552996651.db2.gz GUMNEGAJIHMOBF-HXUWFJFHSA-N 1 3 361.530 2.494 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCCN(CCCO)C2)cc1)C(C)C ZINC000295378471 552996654 /nfs/dbraw/zinc/99/66/54/552996654.db2.gz GUMNEGAJIHMOBF-HXUWFJFHSA-N 1 3 361.530 2.494 20 0 FEADHO COc1nccc(CNCCCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000296599262 553185266 /nfs/dbraw/zinc/18/52/66/553185266.db2.gz YHJVUELXXWTAFV-UHFFFAOYSA-N 1 3 355.486 2.177 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000297303833 553275900 /nfs/dbraw/zinc/27/59/00/553275900.db2.gz HXJYLXOQEAWFLX-PZJWPPBQSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000297303833 553275901 /nfs/dbraw/zinc/27/59/01/553275901.db2.gz HXJYLXOQEAWFLX-PZJWPPBQSA-N 1 3 358.530 2.287 20 0 FEADHO CCn1nccc1N1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1=O ZINC000298020428 553372236 /nfs/dbraw/zinc/37/22/36/553372236.db2.gz DQCKBNXKXBYJIC-GOSISDBHSA-N 1 3 368.485 2.052 20 0 FEADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F)c1ccccc1 ZINC000503518643 561643396 /nfs/dbraw/zinc/64/33/96/561643396.db2.gz WUDLBMVEHHNNKI-OWCLPIDISA-N 1 3 355.429 2.155 20 0 FEADHO CCN1CCN(CCCC[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000298774221 553471265 /nfs/dbraw/zinc/47/12/65/553471265.db2.gz HRWAACYRNYMMON-FQEVSTJZSA-N 1 3 374.573 2.419 20 0 FEADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000503884500 561649287 /nfs/dbraw/zinc/64/92/87/561649287.db2.gz LTWSMJVKAJUUQM-AQNXPRMDSA-N 1 3 361.530 2.152 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000504959179 561664696 /nfs/dbraw/zinc/66/46/96/561664696.db2.gz IGYYQQNFNUOION-DLBZAZTESA-N 1 3 366.575 2.274 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000504959179 561664697 /nfs/dbraw/zinc/66/46/97/561664697.db2.gz IGYYQQNFNUOION-DLBZAZTESA-N 1 3 366.575 2.274 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccc(F)cc1 ZINC000505759884 561679611 /nfs/dbraw/zinc/67/96/11/561679611.db2.gz HYYCEDYRPBXOHJ-KRWDZBQOSA-N 1 3 351.466 2.079 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccc(F)cc1 ZINC000505759884 561679612 /nfs/dbraw/zinc/67/96/12/561679612.db2.gz HYYCEDYRPBXOHJ-KRWDZBQOSA-N 1 3 351.466 2.079 20 0 FEADHO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1=O ZINC000507479987 561730491 /nfs/dbraw/zinc/73/04/91/561730491.db2.gz ACZNFHIVVOEUDG-RIHSIYIJSA-N 1 3 353.510 2.496 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)c(C)c2)CC1 ZINC000333157450 554581027 /nfs/dbraw/zinc/58/10/27/554581027.db2.gz NGVCKJMKNDIAMU-MSOLQXFVSA-N 1 3 371.529 2.495 20 0 FEADHO C[C@@H]1CC2(CN1Cc1nc(-c3ccc4c(c3)OCO4)no1)CC[NH2+]CC2 ZINC000333237090 554592756 /nfs/dbraw/zinc/59/27/56/554592756.db2.gz AHBNQTDKUNHWTD-CYBMUJFWSA-N 1 3 356.426 2.429 20 0 FEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333827501 554647367 /nfs/dbraw/zinc/64/73/67/554647367.db2.gz ITKBDNOXWFYUPJ-AYBZRNKSSA-N 1 3 351.535 2.384 20 0 FEADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000333942262 554658810 /nfs/dbraw/zinc/65/88/10/554658810.db2.gz PSZKICIQJGEYRO-HOTGVXAUSA-N 1 3 354.564 2.259 20 0 FEADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000333942264 554658819 /nfs/dbraw/zinc/65/88/19/554658819.db2.gz PSZKICIQJGEYRO-JKSUJKDBSA-N 1 3 354.564 2.259 20 0 FEADHO C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1cccc(OCCN(C)C)c1 ZINC000361123849 554905006 /nfs/dbraw/zinc/90/50/06/554905006.db2.gz HETYLUPJKKOFAV-WMZOPIPTSA-N 1 3 357.502 2.290 20 0 FEADHO C[C@@H]1CCCC[C@H]1N(C)C(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362252555 554958387 /nfs/dbraw/zinc/95/83/87/554958387.db2.gz BANCOGCFZVNRSD-MISYRCLQSA-N 1 3 364.578 2.124 20 0 FEADHO C[C@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000512145431 561894119 /nfs/dbraw/zinc/89/41/19/561894119.db2.gz XAZZRGXTIBZROH-IBGZPJMESA-N 1 3 370.541 2.355 20 0 FEADHO C[C@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000512145431 561894120 /nfs/dbraw/zinc/89/41/20/561894120.db2.gz XAZZRGXTIBZROH-IBGZPJMESA-N 1 3 370.541 2.355 20 0 FEADHO C[N@H+](CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)Cc1ccccc1 ZINC000363995084 555229867 /nfs/dbraw/zinc/22/98/67/555229867.db2.gz AJCHRGUXAGBVAP-BBTUJRGHSA-N 1 3 359.514 2.157 20 0 FEADHO C[N@@H+](CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)Cc1ccccc1 ZINC000363995084 555229868 /nfs/dbraw/zinc/22/98/68/555229868.db2.gz AJCHRGUXAGBVAP-BBTUJRGHSA-N 1 3 359.514 2.157 20 0 FEADHO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000364133819 555256202 /nfs/dbraw/zinc/25/62/02/555256202.db2.gz XFSIAKFJSOZMQU-LFGUQSLTSA-N 1 3 359.514 2.151 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000364285454 555284588 /nfs/dbraw/zinc/28/45/88/555284588.db2.gz MWJOZCSAEYWQTE-IBGZPJMESA-N 1 3 373.545 2.072 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000364285454 555284589 /nfs/dbraw/zinc/28/45/89/555284589.db2.gz MWJOZCSAEYWQTE-IBGZPJMESA-N 1 3 373.545 2.072 20 0 FEADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)C[C@H]1CSCCN1 ZINC000364945757 555446624 /nfs/dbraw/zinc/44/66/24/555446624.db2.gz DGUWMECFCXNRHO-GBESFXJTSA-N 1 3 361.555 2.280 20 0 FEADHO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1O ZINC000365251584 555523152 /nfs/dbraw/zinc/52/31/52/555523152.db2.gz XZOSDGCDHCWHKM-WMZOPIPTSA-N 1 3 361.530 2.480 20 0 FEADHO CN(C(=O)CC1CC[NH+](C)CC1)C1CCN(CCc2ccncc2)CC1 ZINC000365887113 555692947 /nfs/dbraw/zinc/69/29/47/555692947.db2.gz JJEQRVKLKFZXQU-UHFFFAOYSA-N 1 3 358.530 2.279 20 0 FEADHO CC[NH+](CC)CCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000366316473 555809844 /nfs/dbraw/zinc/80/98/44/555809844.db2.gz NONQVTOFHOVMOP-UHFFFAOYSA-N 1 3 364.456 2.433 20 0 FEADHO CCCN1CCN(C2CCN(C(=O)C[C@H](C)C3CC[NH2+]CC3)CC2)CC1 ZINC000366325247 555812084 /nfs/dbraw/zinc/81/20/84/555812084.db2.gz OYUBHZXJYUOCRL-SFHVURJKSA-N 1 3 364.578 2.031 20 0 FEADHO CN1CCN(C(=O)c2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cc2)CC1 ZINC000514096212 561960313 /nfs/dbraw/zinc/96/03/13/561960313.db2.gz VJBLCYPEXGCCLJ-HBMCJLEFSA-N 1 3 370.541 2.037 20 0 FEADHO CN1CCN(C(=O)c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cc2)CC1 ZINC000514096212 561960315 /nfs/dbraw/zinc/96/03/15/561960315.db2.gz VJBLCYPEXGCCLJ-HBMCJLEFSA-N 1 3 370.541 2.037 20 0 FEADHO CN1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@H]43)cc2)CC1 ZINC000514096212 561960317 /nfs/dbraw/zinc/96/03/17/561960317.db2.gz VJBLCYPEXGCCLJ-HBMCJLEFSA-N 1 3 370.541 2.037 20 0 FEADHO N[C@@H]1C[C@@H]2C[N@H+](CC(Cc3ccccc3)Cc3ccccc3)CCN2C1=O ZINC000514615561 561970071 /nfs/dbraw/zinc/97/00/71/561970071.db2.gz ZQEIBVKVLUBCMZ-FGZHOGPDSA-N 1 3 363.505 2.332 20 0 FEADHO N[C@@H]1C[C@@H]2C[N@@H+](CC(Cc3ccccc3)Cc3ccccc3)CCN2C1=O ZINC000514615561 561970072 /nfs/dbraw/zinc/97/00/72/561970072.db2.gz ZQEIBVKVLUBCMZ-FGZHOGPDSA-N 1 3 363.505 2.332 20 0 FEADHO CSc1ccc(OC[C@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000514597622 561968682 /nfs/dbraw/zinc/96/86/82/561968682.db2.gz VCINTPMYIJOHOD-DLBZAZTESA-N 1 3 368.543 2.239 20 0 FEADHO CSc1ccc(OC[C@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000514597622 561968683 /nfs/dbraw/zinc/96/86/83/561968683.db2.gz VCINTPMYIJOHOD-DLBZAZTESA-N 1 3 368.543 2.239 20 0 FEADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)C1CCN(CCc2ccccn2)CC1 ZINC000367560838 556083064 /nfs/dbraw/zinc/08/30/64/556083064.db2.gz BJRFMQFXOKHHJD-DENIHFKCSA-N 1 3 371.573 2.494 20 0 FEADHO CN1CC[C@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)[C@@H]2CCC[C@H]21 ZINC000367613067 556097091 /nfs/dbraw/zinc/09/70/91/556097091.db2.gz FCTYJRUFOYPIGD-GBESFXJTSA-N 1 3 363.527 2.189 20 0 FEADHO CCCN(CCN1CCCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000367837161 556151298 /nfs/dbraw/zinc/15/12/98/556151298.db2.gz UYHZTTFCTYZZTQ-LJQANCHMSA-N 1 3 351.535 2.354 20 0 FEADHO CCCN(CCN1CCCCC1)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000367837161 556151301 /nfs/dbraw/zinc/15/13/01/556151301.db2.gz UYHZTTFCTYZZTQ-LJQANCHMSA-N 1 3 351.535 2.354 20 0 FEADHO O=C(N1CCC[C@@H](c2n[nH]cc2CN2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC000367844670 556152892 /nfs/dbraw/zinc/15/28/92/556152892.db2.gz XZZHFBKCHMWCAG-QGZVFWFLSA-N 1 3 371.529 2.340 20 0 FEADHO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000368494807 556326248 /nfs/dbraw/zinc/32/62/48/556326248.db2.gz HJQDRYOQNAUOJP-BXWFABGCSA-N 1 3 361.555 2.497 20 0 FEADHO CC(C)OCCCN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000515345116 562006110 /nfs/dbraw/zinc/00/61/10/562006110.db2.gz MHJSFASOQGLWRQ-UHFFFAOYSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@H]1CN(Cc2c[nH]nc2-c2cccnc2)CCN1C1CC[NH+](C)CC1 ZINC000368585841 556353624 /nfs/dbraw/zinc/35/36/24/556353624.db2.gz ULUJPFZWXKDHIK-INIZCTEOSA-N 1 3 354.502 2.072 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369233296 556543686 /nfs/dbraw/zinc/54/36/86/556543686.db2.gz SSDXMEOPIJZRSO-XUVXKRRUSA-N 1 3 371.529 2.220 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369233296 556543690 /nfs/dbraw/zinc/54/36/90/556543690.db2.gz SSDXMEOPIJZRSO-XUVXKRRUSA-N 1 3 371.529 2.220 20 0 FEADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369395627 556589493 /nfs/dbraw/zinc/58/94/93/556589493.db2.gz OJXHWHKNLHFNTN-UXHICEINSA-N 1 3 373.545 2.277 20 0 FEADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369395627 556589497 /nfs/dbraw/zinc/58/94/97/556589497.db2.gz OJXHWHKNLHFNTN-UXHICEINSA-N 1 3 373.545 2.277 20 0 FEADHO COc1ccccc1COC[C@H](O)CNC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000516562905 562048142 /nfs/dbraw/zinc/04/81/42/562048142.db2.gz FIHBIQJBYNFUNF-PKOBYXMFSA-N 1 3 350.503 2.283 20 0 FEADHO COc1ccccc1COC[C@H](O)CNC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000516562905 562048143 /nfs/dbraw/zinc/04/81/43/562048143.db2.gz FIHBIQJBYNFUNF-PKOBYXMFSA-N 1 3 350.503 2.283 20 0 FEADHO COc1ccccc1COC[C@H](O)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000516562905 562048144 /nfs/dbraw/zinc/04/81/44/562048144.db2.gz FIHBIQJBYNFUNF-PKOBYXMFSA-N 1 3 350.503 2.283 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000370055316 556768527 /nfs/dbraw/zinc/76/85/27/556768527.db2.gz IKHFHQONVDWUHM-VQTJNVASSA-N 1 3 373.545 2.419 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000370055316 556768530 /nfs/dbraw/zinc/76/85/30/556768530.db2.gz IKHFHQONVDWUHM-VQTJNVASSA-N 1 3 373.545 2.419 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000370191009 556806673 /nfs/dbraw/zinc/80/66/73/556806673.db2.gz BGUJTWPWVBXLET-UHFFFAOYSA-N 1 3 370.497 2.283 20 0 FEADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000517412577 562089244 /nfs/dbraw/zinc/08/92/44/562089244.db2.gz AOGYLELVFQOGDO-UXHICEINSA-N 1 3 356.514 2.380 20 0 FEADHO CS[C@H]1CN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)C[C@H]1N(C)C ZINC000371353903 557157769 /nfs/dbraw/zinc/15/77/69/557157769.db2.gz KEOSISMPBMBNAQ-MSOLQXFVSA-N 1 3 362.543 2.110 20 0 FEADHO C[C@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1=CCN(C)CC1 ZINC000518172284 562105681 /nfs/dbraw/zinc/10/56/81/562105681.db2.gz QNBCNUBEWFYJJZ-INIZCTEOSA-N 1 3 370.497 2.382 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCCN1CCc1ccccc1 ZINC000371858106 557312637 /nfs/dbraw/zinc/31/26/37/557312637.db2.gz GYOURFGNDZHSJZ-FPOVZHCZSA-N 1 3 370.541 2.477 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CCCN1CCc1ccccc1 ZINC000371858106 557312642 /nfs/dbraw/zinc/31/26/42/557312642.db2.gz GYOURFGNDZHSJZ-FPOVZHCZSA-N 1 3 370.541 2.477 20 0 FEADHO C[C@@H](C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000371948508 557336392 /nfs/dbraw/zinc/33/63/92/557336392.db2.gz PWFJKGWVYGXDHK-QRVBRYPASA-N 1 3 364.578 2.124 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H]4CC[N@H+](C)[C@@H]4C3)c2)CC1 ZINC000372160393 557395727 /nfs/dbraw/zinc/39/57/27/557395727.db2.gz LSMZDFNGXFJMEQ-YLJYHZDGSA-N 1 3 371.529 2.386 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H]4CC[N@@H+](C)[C@@H]4C3)c2)CC1 ZINC000372160393 557395730 /nfs/dbraw/zinc/39/57/30/557395730.db2.gz LSMZDFNGXFJMEQ-YLJYHZDGSA-N 1 3 371.529 2.386 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCC[C@H](N)C3)CC2)cc1 ZINC000518994657 562122939 /nfs/dbraw/zinc/12/29/39/562122939.db2.gz CAIFVFQHWPTAQJ-RDJZCZTQSA-N 1 3 351.516 2.008 20 0 FEADHO CCOc1ccc(OCCN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000372368164 557451965 /nfs/dbraw/zinc/45/19/65/557451965.db2.gz IXFWBWDYZSFADG-LJQANCHMSA-N 1 3 361.530 2.424 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000372465460 557477966 /nfs/dbraw/zinc/47/79/66/557477966.db2.gz VSTGSCAJEFWXLQ-AXVVYFOYSA-N 1 3 351.535 2.290 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000372465460 557477967 /nfs/dbraw/zinc/47/79/67/557477967.db2.gz VSTGSCAJEFWXLQ-AXVVYFOYSA-N 1 3 351.535 2.290 20 0 FEADHO CN1CC[C@@H](CNC(=O)NCCC2CC[NH+](C)CC2)[C@@H]1c1cccnc1 ZINC000372534878 557495902 /nfs/dbraw/zinc/49/59/02/557495902.db2.gz QXIWUTMHSFWRFR-OALUTQOASA-N 1 3 359.518 2.106 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000519591125 562136223 /nfs/dbraw/zinc/13/62/23/562136223.db2.gz IYXNYECVFNXSKJ-AITUJVMLSA-N 1 3 351.535 2.384 20 0 FEADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1CCN(CC)C2 ZINC000372695997 557540345 /nfs/dbraw/zinc/54/03/45/557540345.db2.gz ONTZGVPCQORJNG-UHFFFAOYSA-N 1 3 374.529 2.193 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@](C)(OC)C3CC3)CC2)CC1 ZINC000519603327 562136728 /nfs/dbraw/zinc/13/67/28/562136728.db2.gz CTEIBZSVSQKHNT-HXUWFJFHSA-N 1 3 351.535 2.114 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000520761750 562163108 /nfs/dbraw/zinc/16/31/08/562163108.db2.gz HLDAVZZOKVZFHL-CRAIPNDOSA-N 1 3 362.543 2.397 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)cc2)CC1 ZINC000374434929 557883790 /nfs/dbraw/zinc/88/37/90/557883790.db2.gz HRONSIAJIJYHIM-NRFANRHFSA-N 1 3 370.541 2.433 20 0 FEADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000375130089 557981540 /nfs/dbraw/zinc/98/15/40/557981540.db2.gz YLRJONGQXIIMJP-FGTMMUONSA-N 1 3 351.535 2.291 20 0 FEADHO C[C@H](NC(=O)N1CCN2CCC1CC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375201795 557991241 /nfs/dbraw/zinc/99/12/41/557991241.db2.gz SFRYPHRYWQYYRT-PKOBYXMFSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@H](NC(=O)N1CCN2CCC1CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000375201795 557991242 /nfs/dbraw/zinc/99/12/42/557991242.db2.gz SFRYPHRYWQYYRT-PKOBYXMFSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000521612668 562180249 /nfs/dbraw/zinc/18/02/49/562180249.db2.gz PDTLGGISWHWRBQ-UGKGYDQZSA-N 1 3 368.525 2.348 20 0 FEADHO C[N@H+](CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000376239215 558146304 /nfs/dbraw/zinc/14/63/04/558146304.db2.gz JJANAPHZISKMAD-MBOZVWFJSA-N 1 3 351.535 2.290 20 0 FEADHO C[N@@H+](CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000376239215 558146306 /nfs/dbraw/zinc/14/63/06/558146306.db2.gz JJANAPHZISKMAD-MBOZVWFJSA-N 1 3 351.535 2.290 20 0 FEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCCC[C@H](CO)C1 ZINC000376499450 558181288 /nfs/dbraw/zinc/18/12/88/558181288.db2.gz FXUNIALYEYQFOS-ICSRJNTNSA-N 1 3 373.541 2.250 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000376639114 558201648 /nfs/dbraw/zinc/20/16/48/558201648.db2.gz DCFUOJAMDSAAPN-IVZBYUQCSA-N 1 3 374.529 2.470 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000376639114 558201649 /nfs/dbraw/zinc/20/16/49/558201649.db2.gz DCFUOJAMDSAAPN-IVZBYUQCSA-N 1 3 374.529 2.470 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@H]3c3cc[nH]n3)CC2)CC1 ZINC000376698930 558210493 /nfs/dbraw/zinc/21/04/93/558210493.db2.gz GDUQJNKBPRZOFV-IBGZPJMESA-N 1 3 374.533 2.205 20 0 FEADHO C[C@H]1[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)CCN1Cc1ccccc1 ZINC000376761677 558218364 /nfs/dbraw/zinc/21/83/64/558218364.db2.gz VZDJEGNVJHMSDE-PKOBYXMFSA-N 1 3 374.529 2.059 20 0 FEADHO CC(C)N(C)C(=O)[C@@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377268750 558302708 /nfs/dbraw/zinc/30/27/08/558302708.db2.gz UWBYQSZVCJPRJY-GOSISDBHSA-N 1 3 366.594 2.370 20 0 FEADHO CN(C)CCOc1cnccc1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000377443641 558342154 /nfs/dbraw/zinc/34/21/54/558342154.db2.gz WGESDBQCBXKODE-QGZVFWFLSA-N 1 3 369.469 2.160 20 0 FEADHO COCC[C@@]1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[NH2+]C1 ZINC000378212993 558503901 /nfs/dbraw/zinc/50/39/01/558503901.db2.gz YISAAJKAENGWMF-YJBOKZPZSA-N 1 3 351.516 2.017 20 0 FEADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1cccc(Br)c1 ZINC000386968178 558607864 /nfs/dbraw/zinc/60/78/64/558607864.db2.gz XRDTURSBYVMNEB-CJNGLKHVSA-N 1 3 369.303 2.263 20 0 FEADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1cccc(Br)c1 ZINC000386968178 558607868 /nfs/dbraw/zinc/60/78/68/558607868.db2.gz XRDTURSBYVMNEB-CJNGLKHVSA-N 1 3 369.303 2.263 20 0 FEADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1cccc(Br)c1 ZINC000386968178 558607872 /nfs/dbraw/zinc/60/78/72/558607872.db2.gz XRDTURSBYVMNEB-CJNGLKHVSA-N 1 3 369.303 2.263 20 0 FEADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390956428 558613402 /nfs/dbraw/zinc/61/34/02/558613402.db2.gz VYNJJHQMOCQUMR-XUVXKRRUSA-N 1 3 359.514 2.301 20 0 FEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000523820308 562220409 /nfs/dbraw/zinc/22/04/09/562220409.db2.gz FPOYKWGWJPXRDT-KRWDZBQOSA-N 1 3 368.591 2.378 20 0 FEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000523820308 562220410 /nfs/dbraw/zinc/22/04/10/562220410.db2.gz FPOYKWGWJPXRDT-KRWDZBQOSA-N 1 3 368.591 2.378 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000524627300 562231197 /nfs/dbraw/zinc/23/11/97/562231197.db2.gz VIJCGAQJULKOMN-RTBURBONSA-N 1 3 362.518 2.042 20 0 FEADHO C[C@@H]1CC[N@H+](CCNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000524774754 562234515 /nfs/dbraw/zinc/23/45/15/562234515.db2.gz ANUQGPYSJHSCIO-LJQANCHMSA-N 1 3 358.530 2.047 20 0 FEADHO C[C@@H]1CC[N@@H+](CCNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000524774754 562234516 /nfs/dbraw/zinc/23/45/16/562234516.db2.gz ANUQGPYSJHSCIO-LJQANCHMSA-N 1 3 358.530 2.047 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000410411995 558756094 /nfs/dbraw/zinc/75/60/94/558756094.db2.gz XNXIDUWUZUSXLK-ROUUACIJSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000410411995 558756095 /nfs/dbraw/zinc/75/60/95/558756095.db2.gz XNXIDUWUZUSXLK-ROUUACIJSA-N 1 3 360.502 2.053 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)ccc1CN(C)C ZINC000411124097 558841062 /nfs/dbraw/zinc/84/10/62/558841062.db2.gz GIYBXPNLNLDJID-UHFFFAOYSA-N 1 3 362.518 2.230 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000411462826 558899110 /nfs/dbraw/zinc/89/91/10/558899110.db2.gz RDBSUPYQKUHWOZ-NQIIRXRSSA-N 1 3 359.514 2.343 20 0 FEADHO CCN1CCN([C@H](C)CNc2cc[nH+]c3cc(OC)c(OC)cc23)CC1 ZINC000413052071 559073053 /nfs/dbraw/zinc/07/30/53/559073053.db2.gz GXJVPGWKGKNYCC-OAHLLOKOSA-N 1 3 358.486 2.112 20 0 FEADHO COC[C@@H](C)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000526123970 562267645 /nfs/dbraw/zinc/26/76/45/562267645.db2.gz QZMQQDQWOGHXCL-SFHVURJKSA-N 1 3 361.530 2.229 20 0 FEADHO COc1ccc2c(c1)[C@@H]([NH2+]CC1(N3CCOCC3)CCN(C)CC1)CC2 ZINC000414192666 559152512 /nfs/dbraw/zinc/15/25/12/559152512.db2.gz MDFCBQNLGZDEJL-FQEVSTJZSA-N 1 3 359.514 2.069 20 0 FEADHO Cc1c([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cnn1C(C)C ZINC000414197680 559152844 /nfs/dbraw/zinc/15/28/44/559152844.db2.gz PSWWWCPMCHOSCC-QGZVFWFLSA-N 1 3 363.550 2.220 20 0 FEADHO C[NH+]1CCC(CN[C@@H]2CCc3c2c(F)ccc3F)(N2CCOCC2)CC1 ZINC000414204788 559152950 /nfs/dbraw/zinc/15/29/50/559152950.db2.gz WSAXYAQJJUAJNT-GOSISDBHSA-N 1 3 365.468 2.338 20 0 FEADHO C[C@H](NCCC(C)(C)S(C)(=O)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000414265455 559154504 /nfs/dbraw/zinc/15/45/04/559154504.db2.gz QOSDHLSVTIXASW-HNNXBMFYSA-N 1 3 356.532 2.491 20 0 FEADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@H]1CCOC1 ZINC000414336493 559157099 /nfs/dbraw/zinc/15/70/99/559157099.db2.gz ZKWXFCJCUZFAAA-VQTJNVASSA-N 1 3 359.514 2.289 20 0 FEADHO CN1CCC(C[NH2+]Cc2cnc(C(C)(C)C)s2)(N2CCOCC2)CC1 ZINC000414478331 559167416 /nfs/dbraw/zinc/16/74/16/559167416.db2.gz DRAYXINRHSESPH-UHFFFAOYSA-N 1 3 366.575 2.327 20 0 FEADHO C[NH2+][C@@H](C)Cc1noc(-c2cnn(CCN(C)C)c2-c2ccccc2)n1 ZINC000414643429 559177001 /nfs/dbraw/zinc/17/70/01/559177001.db2.gz KYLKGKBXISKSAJ-AWEZNQCLSA-N 1 3 354.458 2.312 20 0 FEADHO Cc1ccc(OC2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)cc1C ZINC000414688621 559179679 /nfs/dbraw/zinc/17/96/79/559179679.db2.gz JQTXEWPLFTYFRQ-GOSISDBHSA-N 1 3 359.514 2.344 20 0 FEADHO COc1ccc(CC2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000414692886 559179996 /nfs/dbraw/zinc/17/99/96/559179996.db2.gz MDOFNTZLPUIDSQ-IBGZPJMESA-N 1 3 359.514 2.147 20 0 FEADHO C[N@H+](CCc1ccc(Br)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414702457 559180879 /nfs/dbraw/zinc/18/08/79/559180879.db2.gz XESPLDXZFNVYKC-OAHLLOKOSA-N 1 3 368.319 2.121 20 0 FEADHO C[N@@H+](CCc1ccc(Br)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414702457 559180880 /nfs/dbraw/zinc/18/08/80/559180880.db2.gz XESPLDXZFNVYKC-OAHLLOKOSA-N 1 3 368.319 2.121 20 0 FEADHO Cc1ccc(CC[N@H+](C[C@H]2CCCO2)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414706759 559181171 /nfs/dbraw/zinc/18/11/71/559181171.db2.gz MUYBQTFOSSYIPU-NHCUHLMSSA-N 1 3 373.541 2.216 20 0 FEADHO Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414706759 559181172 /nfs/dbraw/zinc/18/11/72/559181172.db2.gz MUYBQTFOSSYIPU-NHCUHLMSSA-N 1 3 373.541 2.216 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)c(C)c2)CC1 ZINC000414756999 559185596 /nfs/dbraw/zinc/18/55/96/559185596.db2.gz WPCHLTNGUPPOLX-DLBZAZTESA-N 1 3 359.518 2.338 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000414824927 559189753 /nfs/dbraw/zinc/18/97/53/559189753.db2.gz GIBNJLRHLQUIGN-HUUCEWRRSA-N 1 3 358.486 2.341 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@H]1CCCNC1 ZINC000414824927 559189754 /nfs/dbraw/zinc/18/97/54/559189754.db2.gz GIBNJLRHLQUIGN-HUUCEWRRSA-N 1 3 358.486 2.341 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414960882 559197232 /nfs/dbraw/zinc/19/72/32/559197232.db2.gz YNEWFAJXPRCCBN-LBTNJELSSA-N 1 3 358.486 2.482 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414960882 559197233 /nfs/dbraw/zinc/19/72/33/559197233.db2.gz YNEWFAJXPRCCBN-LBTNJELSSA-N 1 3 358.486 2.482 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000414971938 559197926 /nfs/dbraw/zinc/19/79/26/559197926.db2.gz JASFKMANXTUANE-BPQIPLTHSA-N 1 3 370.463 2.248 20 0 FEADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414992128 559199210 /nfs/dbraw/zinc/19/92/10/559199210.db2.gz RGRLEIXUOVQOAO-CRAIPNDOSA-N 1 3 360.502 2.272 20 0 FEADHO Fc1cccc(Cl)c1CN1CCC([NH2+]C[C@@H]2CNCCCO2)CC1 ZINC000415045706 559202273 /nfs/dbraw/zinc/20/22/73/559202273.db2.gz UAZXUWXAQOBFPA-HNNXBMFYSA-N 1 3 355.885 2.412 20 0 FEADHO Fc1cccc(Cl)c1CN1CCC(NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000415045706 559202274 /nfs/dbraw/zinc/20/22/74/559202274.db2.gz UAZXUWXAQOBFPA-HNNXBMFYSA-N 1 3 355.885 2.412 20 0 FEADHO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415068629 559203646 /nfs/dbraw/zinc/20/36/46/559203646.db2.gz NGMJHMUEOMGEIX-QGZVFWFLSA-N 1 3 350.532 2.383 20 0 FEADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000415116520 559206050 /nfs/dbraw/zinc/20/60/50/559206050.db2.gz VXFXYMGSNNWTJL-UHFFFAOYSA-N 1 3 374.529 2.315 20 0 FEADHO Cc1cc(C)c(CN2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(C)c1 ZINC000415137386 559207919 /nfs/dbraw/zinc/20/79/19/559207919.db2.gz IXDBCCTVSFSBGJ-PMACEKPBSA-N 1 3 356.514 2.332 20 0 FEADHO CC[C@H](CN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000415141595 559208350 /nfs/dbraw/zinc/20/83/50/559208350.db2.gz PQSJEWOBJHWGMM-UXPWSPDFSA-N 1 3 356.514 2.400 20 0 FEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1)N(C)C ZINC000415154876 559209678 /nfs/dbraw/zinc/20/96/78/559209678.db2.gz BSTCITHMPKFPHT-HNAYVOBHSA-N 1 3 368.481 2.200 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(CNC)c1 ZINC000415160983 559210353 /nfs/dbraw/zinc/21/03/53/559210353.db2.gz HYDKWUXVJLQNRL-PKOBYXMFSA-N 1 3 374.529 2.361 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000415536710 559247418 /nfs/dbraw/zinc/24/74/18/559247418.db2.gz FMHZQPLNKCQLCG-DFNIBXOVSA-N 1 3 372.513 2.208 20 0 FEADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000415799484 559272196 /nfs/dbraw/zinc/27/21/96/559272196.db2.gz CEYBPZFASJXZGA-AEFFLSMTSA-N 1 3 372.513 2.245 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)N2CCN(CC3CCOCC3)CC2)c1 ZINC000415907001 559282186 /nfs/dbraw/zinc/28/21/86/559282186.db2.gz LYGDJMDHWMQSPG-UHFFFAOYSA-N 1 3 360.502 2.372 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)Nc3ccc(C[NH3+])cc3)CC2)C[C@@H](C)O1 ZINC000415980935 559286721 /nfs/dbraw/zinc/28/67/21/559286721.db2.gz UCPJTJCXYZGGIO-HZPDHXFCSA-N 1 3 360.502 2.498 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)CN1Cc1ccccc1 ZINC000416010272 559288998 /nfs/dbraw/zinc/28/89/98/559288998.db2.gz QAIOKOWEGFAHSD-VHDGCEQUSA-N 1 3 358.408 2.228 20 0 FEADHO CC1CCC(N2CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC2)CC1 ZINC000416016014 559289266 /nfs/dbraw/zinc/28/92/66/559289266.db2.gz WQHLMUADQPJBGT-JXQTWKCFSA-N 1 3 350.429 2.172 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NCCC2=CC[NH2+]CC2)N2CCCC2)cc1 ZINC000416808746 559333383 /nfs/dbraw/zinc/33/33/83/559333383.db2.gz ABDQBAYJISXZHI-HXUWFJFHSA-N 1 3 372.513 2.441 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000416843522 559334853 /nfs/dbraw/zinc/33/48/53/559334853.db2.gz OUFTVHLWEWBTES-VQTJNVASSA-N 1 3 358.530 2.333 20 0 FEADHO C[NH2+]C[C@H]1CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000416972931 559341148 /nfs/dbraw/zinc/34/11/48/559341148.db2.gz JFFYFOBJMSPCRC-LJQANCHMSA-N 1 3 358.530 2.335 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000416975911 559341399 /nfs/dbraw/zinc/34/13/99/559341399.db2.gz NJZHQLNPNPVRGU-OALUTQOASA-N 1 3 356.514 2.210 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCNC(C)(C)C1 ZINC000416986798 559342199 /nfs/dbraw/zinc/34/21/99/559342199.db2.gz JIZGEJWKXWFEGQ-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000417000667 559343149 /nfs/dbraw/zinc/34/31/49/559343149.db2.gz YXZNVJHRIRAKHL-IAGOWNOFSA-N 1 3 362.518 2.299 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000417000668 559343231 /nfs/dbraw/zinc/34/32/31/559343231.db2.gz YXZNVJHRIRAKHL-IRXDYDNUSA-N 1 3 362.518 2.299 20 0 FEADHO CC(C)(CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccccc2C1 ZINC000417089937 559347273 /nfs/dbraw/zinc/34/72/73/559347273.db2.gz SOVJCSVKSNKVJE-IEBWSBKVSA-N 1 3 356.514 2.074 20 0 FEADHO CC1CCN([C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)CC1 ZINC000417213844 559353377 /nfs/dbraw/zinc/35/33/77/559353377.db2.gz JWTACPGKYPTXAQ-HSALFYBXSA-N 1 3 356.514 2.320 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)NC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000417333474 559358104 /nfs/dbraw/zinc/35/81/04/559358104.db2.gz QBMCERITNFXIFB-IBGZPJMESA-N 1 3 374.529 2.206 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417361098 559359186 /nfs/dbraw/zinc/35/91/86/559359186.db2.gz IKSVHMWYIUFPEG-LZLYRXPVSA-N 1 3 362.543 2.354 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417367082 559359541 /nfs/dbraw/zinc/35/95/41/559359541.db2.gz PJNIIBMGLAXPNH-LJQANCHMSA-N 1 3 374.529 2.301 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417367734 559359610 /nfs/dbraw/zinc/35/96/10/559359610.db2.gz PETSTLKHDBMSRM-ZACQAIPSSA-N 1 3 362.543 2.496 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417381931 559360203 /nfs/dbraw/zinc/36/02/03/559360203.db2.gz NEHIPLYCMBBFOW-IRXDYDNUSA-N 1 3 362.543 2.211 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000417488506 559364141 /nfs/dbraw/zinc/36/41/41/559364141.db2.gz CXIHBZLJBISZCK-UHOSZYNNSA-N 1 3 362.518 2.123 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)NC1CCC([NH3+])CC1)c1ccccc1 ZINC000417514337 559365374 /nfs/dbraw/zinc/36/53/74/559365374.db2.gz JHWFKRBQZCQXOB-CTWPCTMYSA-N 1 3 362.518 2.265 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000417515725 559365513 /nfs/dbraw/zinc/36/55/13/559365513.db2.gz LWAUMEVTFCREKP-MOPGFXCFSA-N 1 3 362.518 2.219 20 0 FEADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000417547052 559366443 /nfs/dbraw/zinc/36/64/43/559366443.db2.gz GKFRWNFZROPVJY-JXFKEZNVSA-N 1 3 374.529 2.055 20 0 FEADHO [NH3+]CCCOC1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000417653602 559370597 /nfs/dbraw/zinc/37/05/97/559370597.db2.gz RCFQHEQKUVKMKH-LJQANCHMSA-N 1 3 374.529 2.190 20 0 FEADHO CN(C)C1(CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)Cc2ccccc2C1 ZINC000417737675 559374647 /nfs/dbraw/zinc/37/46/47/559374647.db2.gz NZPCOJYWHNUKFI-IBGZPJMESA-N 1 3 358.530 2.292 20 0 FEADHO O=C(NCCCOC1CCN(Cc2ccccc2)CC1)NC[C@@H]1CCC[NH2+]1 ZINC000417821622 559377703 /nfs/dbraw/zinc/37/77/03/559377703.db2.gz ISWPYHLXAWEYPV-IBGZPJMESA-N 1 3 374.529 2.109 20 0 FEADHO CC[C@@H]([NH3+])CNC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000417821598 559377774 /nfs/dbraw/zinc/37/77/74/559377774.db2.gz IPNYWDSOHBBALL-GOSISDBHSA-N 1 3 362.518 2.094 20 0 FEADHO C[C@H]([NH3+])CCNC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000417832521 559378487 /nfs/dbraw/zinc/37/84/87/559378487.db2.gz SVYUBGBBUJQMFG-KRWDZBQOSA-N 1 3 362.518 2.094 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417838313 559378687 /nfs/dbraw/zinc/37/86/87/559378687.db2.gz YCFNMKWVUPUAKK-RSPOEFSDSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417838310 559378698 /nfs/dbraw/zinc/37/86/98/559378698.db2.gz YCFNMKWVUPUAKK-LMCOJAPRSA-N 1 3 356.514 2.433 20 0 FEADHO CO[C@H]1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)[C@H](C[NH3+])C1 ZINC000418155792 559392204 /nfs/dbraw/zinc/39/22/04/559392204.db2.gz AAGLXQHQQJUFAO-ROUUACIJSA-N 1 3 366.550 2.180 20 0 FEADHO CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418171422 559392876 /nfs/dbraw/zinc/39/28/76/559392876.db2.gz QEPXRVFTPUJRBJ-KRWDZBQOSA-N 1 3 362.518 2.476 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000418191127 559393445 /nfs/dbraw/zinc/39/34/45/559393445.db2.gz KFBXFEGLQXHTPT-QFUCXCTJSA-N 1 3 356.514 2.435 20 0 FEADHO CCc1ccc([C@@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)N(CC)CC)cc1 ZINC000418218348 559394371 /nfs/dbraw/zinc/39/43/71/559394371.db2.gz QQZIDZGQIDRQHW-RBUKOAKNSA-N 1 3 362.518 2.001 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)N(C)C)cc1 ZINC000418236286 559394964 /nfs/dbraw/zinc/39/49/64/559394964.db2.gz UQJQFJRQXVAYKX-ZQIUZPCESA-N 1 3 350.532 2.390 20 0 FEADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000418236827 559394967 /nfs/dbraw/zinc/39/49/67/559394967.db2.gz CAVIFNOWGVPQCZ-RTBURBONSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NCC[C@@H]1CC[NH2+]C1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418330363 559397742 /nfs/dbraw/zinc/39/77/42/559397742.db2.gz CJLZIBUKBOPXJR-SXLOBPIMSA-N 1 3 356.514 2.150 20 0 FEADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000418349888 559398619 /nfs/dbraw/zinc/39/86/19/559398619.db2.gz SLPJIELKYSPMNK-GDBMZVCRSA-N 1 3 368.472 2.426 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418404391 559400446 /nfs/dbraw/zinc/40/04/46/559400446.db2.gz JHRAFULMFKOZTA-AEFFLSMTSA-N 1 3 350.482 2.416 20 0 FEADHO NC[C@H](NC(=O)N1CCC(OCCC[NH3+])CC1)c1ccc2ccccc2c1 ZINC000418499727 559404054 /nfs/dbraw/zinc/40/40/54/559404054.db2.gz MVMBMRJEBYQLEC-FQEVSTJZSA-N 1 3 370.497 2.379 20 0 FEADHO COCC1(CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC[NH2+]CC1 ZINC000418502304 559404074 /nfs/dbraw/zinc/40/40/74/559404074.db2.gz UWMWQTGRRMKYDS-LJQANCHMSA-N 1 3 370.497 2.155 20 0 FEADHO C[C@@H]1CCN(C)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418562883 559406328 /nfs/dbraw/zinc/40/63/28/559406328.db2.gz GZSCQZOOHWLOSE-QIIPPGSGSA-N 1 3 366.456 2.146 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418708171 559411958 /nfs/dbraw/zinc/41/19/58/559411958.db2.gz CCMVKYMRBADRAT-SJLPKXTDSA-N 1 3 350.482 2.416 20 0 FEADHO O=C(N[C@H]1CNCCC1(F)F)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000418755476 559414306 /nfs/dbraw/zinc/41/43/06/559414306.db2.gz XNHNQVCZETWIPA-CVEARBPZSA-N 1 3 358.477 2.281 20 0 FEADHO COc1cc(OC)cc(N2CC[C@H](N(C)CC[C@@H]3CCC[NH2+]C3)C2=O)c1 ZINC000420307128 559479598 /nfs/dbraw/zinc/47/95/98/559479598.db2.gz REBHUJVBYIJIMJ-KXBFYZLASA-N 1 3 361.486 2.131 20 0 FEADHO Cc1cccc(OCCCNC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420327436 559480878 /nfs/dbraw/zinc/48/08/78/559480878.db2.gz LCQGNJDIDJCIRQ-RTBURBONSA-N 1 3 359.514 2.202 20 0 FEADHO Cc1cccc(C)c1OCCNC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330953 559480928 /nfs/dbraw/zinc/48/09/28/559480928.db2.gz QIMZDFQCLXPMBI-RTBURBONSA-N 1 3 359.514 2.120 20 0 FEADHO COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420359470 559483012 /nfs/dbraw/zinc/48/30/12/559483012.db2.gz KRSZZSUHFTZAMY-YJBOKZPZSA-N 1 3 365.905 2.171 20 0 FEADHO COC(=O)c1cccc(OCCN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420388064 559484698 /nfs/dbraw/zinc/48/46/98/559484698.db2.gz KUCAAYQPRSNRSR-MJGOQNOKSA-N 1 3 362.470 2.070 20 0 FEADHO CCN1CCC([N@@H+]2CCCN([C@H](C(=O)N(C)C)c3ccccc3)CC2)CC1 ZINC000420984859 559517524 /nfs/dbraw/zinc/51/75/24/559517524.db2.gz UXNAKLYXUQQNBI-NRFANRHFSA-N 1 3 372.557 2.308 20 0 FEADHO CCN1CCC([N@H+]2CCCN([C@H](C(=O)N(C)C)c3ccccc3)CC2)CC1 ZINC000420984859 559517525 /nfs/dbraw/zinc/51/75/25/559517525.db2.gz UXNAKLYXUQQNBI-NRFANRHFSA-N 1 3 372.557 2.308 20 0 FEADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)C(=O)N3CCC(C)CC3)CC2)CC1 ZINC000421018011 559520007 /nfs/dbraw/zinc/52/00/07/559520007.db2.gz WBSNAFPZOISHBP-IBGZPJMESA-N 1 3 364.578 2.125 20 0 FEADHO CCN1CCC([N@H+]2CCCN([C@@H](C)C(=O)N3CCC(C)CC3)CC2)CC1 ZINC000421018011 559520008 /nfs/dbraw/zinc/52/00/08/559520008.db2.gz WBSNAFPZOISHBP-IBGZPJMESA-N 1 3 364.578 2.125 20 0 FEADHO COc1cc(NC(=O)N(C)C[C@@H]2CCCN2C)ccc1OCC[NH+](C)C ZINC000421160050 559527591 /nfs/dbraw/zinc/52/75/91/559527591.db2.gz QTLCFGLIAJNTBJ-INIZCTEOSA-N 1 3 364.490 2.194 20 0 FEADHO O=C(COc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1)NC1CC1 ZINC000422715544 559604068 /nfs/dbraw/zinc/60/40/68/559604068.db2.gz SJWCXJWCGSKVFG-NJYVYQBISA-N 1 3 371.525 2.397 20 0 FEADHO CC(C)CN1CCO[C@H](CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422755330 559605668 /nfs/dbraw/zinc/60/56/68/559605668.db2.gz BFGACWGHRZYAKU-LMNJBCLMSA-N 1 3 359.514 2.189 20 0 FEADHO Fc1ccc(N2CCN(CCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422814387 559607187 /nfs/dbraw/zinc/60/71/87/559607187.db2.gz UOSZAWXYJZVQOH-PWRODBHTSA-N 1 3 360.521 2.458 20 0 FEADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)C[C@@H]3COCCN3)CC2)c1 ZINC000422808638 559607207 /nfs/dbraw/zinc/60/72/07/559607207.db2.gz LHAZRBGIFZCNSZ-NHCUHLMSSA-N 1 3 374.573 2.254 20 0 FEADHO FC(F)(F)CN1CCC(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422816485 559607341 /nfs/dbraw/zinc/60/73/41/559607341.db2.gz FKJXYFJILJSDEB-YESZJQIVSA-N 1 3 363.468 2.398 20 0 FEADHO COc1cc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000422835337 559607946 /nfs/dbraw/zinc/60/79/46/559607946.db2.gz YNIIWBQMTGGUSH-IACUBPJLSA-N 1 3 362.392 2.478 20 0 FEADHO CCC[C@@H](N[C@@H](CCC[NH3+])COC)C(=O)N1CCc2sccc2C1 ZINC000422911310 559610872 /nfs/dbraw/zinc/61/08/72/559610872.db2.gz SQRRPDILLSAUIR-JKSUJKDBSA-N 1 3 353.532 2.145 20 0 FEADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422912018 559610939 /nfs/dbraw/zinc/61/09/39/559610939.db2.gz MDGBIBLOQYLBRG-AZUAARDMSA-N 1 3 358.530 2.093 20 0 FEADHO CN(C)CCNC(=O)c1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422913072 559611196 /nfs/dbraw/zinc/61/11/96/559611196.db2.gz XQOVADNZQWIHLJ-NJDAHSKKSA-N 1 3 372.557 2.378 20 0 FEADHO CCN1CCN(Cc2ccc(N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422916204 559611318 /nfs/dbraw/zinc/61/13/18/559611318.db2.gz CTMXMVBLBZPQDA-FDFHNCONSA-N 1 3 372.557 2.393 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000422928731 559611670 /nfs/dbraw/zinc/61/16/70/559611670.db2.gz MGZSXMKTDNKVHV-ROUUACIJSA-N 1 3 353.532 2.467 20 0 FEADHO COC[C@H](CCC[NH3+])NCc1ccc(N2CCc3ccccc3C2)nc1 ZINC000422976289 559613648 /nfs/dbraw/zinc/61/36/48/559613648.db2.gz UXBCPZDOYYOKHF-FQEVSTJZSA-N 1 3 354.498 2.488 20 0 FEADHO FC(F)(F)COc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000423055064 559616817 /nfs/dbraw/zinc/61/68/17/559616817.db2.gz VPSOGHLSXZRSHC-HRCADAONSA-N 1 3 373.419 2.312 20 0 FEADHO O=C1NC2(CCCC2)C(=O)N1CCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423066197 559617216 /nfs/dbraw/zinc/61/72/16/559617216.db2.gz WJOZQSDBWZDEFQ-BBWFWOEESA-N 1 3 362.518 2.142 20 0 FEADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)CC[NH2+]CC1 ZINC000423082218 559618017 /nfs/dbraw/zinc/61/80/17/559618017.db2.gz WPWHHDAZBWBLSC-IHRRRGAJSA-N 1 3 351.495 2.290 20 0 FEADHO CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2nnc([C@@H](C)CC)[n-]2)CC[NH2+]CC1 ZINC000423082218 559618018 /nfs/dbraw/zinc/61/80/18/559618018.db2.gz WPWHHDAZBWBLSC-IHRRRGAJSA-N 1 3 351.495 2.290 20 0 FEADHO CC[C@@H](NCC1=CC[NH2+]CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423343444 559626255 /nfs/dbraw/zinc/62/62/55/559626255.db2.gz DMGLXSASKOSGMP-OAHLLOKOSA-N 1 3 357.907 2.209 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000423348232 559626357 /nfs/dbraw/zinc/62/63/57/559626357.db2.gz SKFRAYUUZGXBRG-SJLPKXTDSA-N 1 3 355.486 2.218 20 0 FEADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(-n2cccn2)cc1 ZINC000423378308 559627201 /nfs/dbraw/zinc/62/72/01/559627201.db2.gz FRETYATXUAMPAT-WMLDXEAASA-N 1 3 367.419 2.359 20 0 FEADHO CC(C)CO[C@@H]1C[C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1(C)C ZINC000423397256 559627773 /nfs/dbraw/zinc/62/77/73/559627773.db2.gz UNHTVOAUANGFEE-SOUVJXGZSA-N 1 3 351.457 2.252 20 0 FEADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423437189 559629167 /nfs/dbraw/zinc/62/91/67/559629167.db2.gz TZDSLIZXKYQMNS-VXNCWWDNSA-N 1 3 351.535 2.112 20 0 FEADHO N[C@@H](CC1CCCCC1)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424019604 559651446 /nfs/dbraw/zinc/65/14/46/559651446.db2.gz MNKSEDOKYURNBI-FQEVSTJZSA-N 1 3 372.557 2.394 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cc2)CC1 ZINC000424079062 559654018 /nfs/dbraw/zinc/65/40/18/559654018.db2.gz TZUWVKDFWLJUSJ-LNLFQRSKSA-N 1 3 358.530 2.274 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000424161297 559656473 /nfs/dbraw/zinc/65/64/73/559656473.db2.gz VNROJBQLARLYFZ-CQSZACIVSA-N 1 3 355.429 2.371 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000424434771 559664664 /nfs/dbraw/zinc/66/46/64/559664664.db2.gz DMPWITNJGDXLJY-UHFFFAOYSA-N 1 3 360.502 2.021 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000424439709 559665076 /nfs/dbraw/zinc/66/50/76/559665076.db2.gz OVSRWYSVDBTFKM-CALCHBBNSA-N 1 3 374.529 2.267 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000424439709 559665077 /nfs/dbraw/zinc/66/50/77/559665077.db2.gz OVSRWYSVDBTFKM-CALCHBBNSA-N 1 3 374.529 2.267 20 0 FEADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430609705 559824554 /nfs/dbraw/zinc/82/45/54/559824554.db2.gz ILZOCKVAPBJWLK-CRAIPNDOSA-N 1 3 358.486 2.344 20 0 FEADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430609705 559824555 /nfs/dbraw/zinc/82/45/55/559824555.db2.gz ILZOCKVAPBJWLK-CRAIPNDOSA-N 1 3 358.486 2.344 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@H](C)N2CCC([C@@H](C)[NH3+])CC2)cc1F ZINC000430936215 559830832 /nfs/dbraw/zinc/83/08/32/559830832.db2.gz SYOFCJHMXNJIHP-KGLIPLIRSA-N 1 3 351.466 2.240 20 0 FEADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCC(OCc3ccccc3)CC2)CC1 ZINC000430946501 559831074 /nfs/dbraw/zinc/83/10/74/559831074.db2.gz WNOAPJQFHYMMGB-KRWDZBQOSA-N 1 3 359.514 2.253 20 0 FEADHO COc1cc(CN2CC[C@H](C)[C@H](O)C2)cc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)c1 ZINC000432778948 559864475 /nfs/dbraw/zinc/86/44/75/559864475.db2.gz GCRZGBJZSBNEFX-LVNJIZSUSA-N 1 3 362.514 2.101 20 0 FEADHO COc1cc(CN2CC[C@H](C)[C@H](O)C2)cc(C[N@H+]2CC[C@H](C)[C@H](O)C2)c1 ZINC000432778948 559864476 /nfs/dbraw/zinc/86/44/76/559864476.db2.gz GCRZGBJZSBNEFX-LVNJIZSUSA-N 1 3 362.514 2.101 20 0 FEADHO [NH3+]C1CCN(CCCC(=O)Nc2ccccc2OCCn2ccnc2)CC1 ZINC000433116574 559872246 /nfs/dbraw/zinc/87/22/46/559872246.db2.gz MJXHYFUHHYPVLV-UHFFFAOYSA-N 1 3 371.485 2.104 20 0 FEADHO Cc1ccc(-c2n[nH]cc2CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)o1 ZINC000435375490 559921672 /nfs/dbraw/zinc/92/16/72/559921672.db2.gz MPPCYBHYGBUXHF-NVXWUHKLSA-N 1 3 371.485 2.058 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cnc3ccccc3c2)C1)[C@H]1CCC[NH2+]1 ZINC000435379862 559921880 /nfs/dbraw/zinc/92/18/80/559921880.db2.gz OJOLSCDLNVBUOM-OXJNMPFZSA-N 1 3 352.482 2.315 20 0 FEADHO Cc1cc(C)n(-c2ccc(CN3CCCC[C@@H]3CNC(=O)CC[NH3+])cc2)n1 ZINC000436062261 559934633 /nfs/dbraw/zinc/93/46/33/559934633.db2.gz JELXDZUYYWRXFU-HXUWFJFHSA-N 1 3 369.513 2.309 20 0 FEADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438327790 559977278 /nfs/dbraw/zinc/97/72/78/559977278.db2.gz MJFRVSIWBXMLCH-SFHVURJKSA-N 1 3 354.539 2.003 20 0 FEADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438327790 559977279 /nfs/dbraw/zinc/97/72/79/559977279.db2.gz MJFRVSIWBXMLCH-SFHVURJKSA-N 1 3 354.539 2.003 20 0 FEADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442766639 560056510 /nfs/dbraw/zinc/05/65/10/560056510.db2.gz LDNSYLMAYXGVOF-WMLDXEAASA-N 1 3 355.486 2.487 20 0 FEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446054373 560138772 /nfs/dbraw/zinc/13/87/72/560138772.db2.gz OFOGQHKQXIPBCT-CALCHBBNSA-N 1 3 374.529 2.108 20 0 FEADHO CCc1noc(CC)c1CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000446132043 560140385 /nfs/dbraw/zinc/14/03/85/560140385.db2.gz TUVCKEVAXRDLNH-INIZCTEOSA-N 1 3 364.534 2.216 20 0 FEADHO CCc1noc(CC)c1CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000446132043 560140386 /nfs/dbraw/zinc/14/03/86/560140386.db2.gz TUVCKEVAXRDLNH-INIZCTEOSA-N 1 3 364.534 2.216 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000446259955 560142747 /nfs/dbraw/zinc/14/27/47/560142747.db2.gz HVKBPGDGWPFKLI-VPMQLGLMSA-N 1 3 365.562 2.393 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000446259955 560142748 /nfs/dbraw/zinc/14/27/48/560142748.db2.gz HVKBPGDGWPFKLI-VPMQLGLMSA-N 1 3 365.562 2.393 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)N2CCC(OC)CC2)[C@H](C)C1 ZINC000448524656 560188897 /nfs/dbraw/zinc/18/88/97/560188897.db2.gz KEYXLEJRLHDKDI-AEFFLSMTSA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)N2CCC(OC)CC2)[C@H](C)C1 ZINC000448524656 560188898 /nfs/dbraw/zinc/18/88/98/560188898.db2.gz KEYXLEJRLHDKDI-AEFFLSMTSA-N 1 3 368.566 2.248 20 0 FEADHO CC(C)N1CCCC[C@@H]1C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000450550995 560265959 /nfs/dbraw/zinc/26/59/59/560265959.db2.gz CNIWTMURBLCISB-HXUWFJFHSA-N 1 3 364.578 2.125 20 0 FEADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CCN4C[C@H]5CC[C@@H](C4)O5)[C@@H]3C2)cc1 ZINC000453360881 560385686 /nfs/dbraw/zinc/38/56/86/560385686.db2.gz VAHSOFDVAJWGDF-ITBHCLRTSA-N 1 3 355.526 2.350 20 0 FEADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCCN4C[C@H]5CC[C@@H](C4)O5)[C@@H]3C2)cc1 ZINC000453360881 560385687 /nfs/dbraw/zinc/38/56/87/560385687.db2.gz VAHSOFDVAJWGDF-ITBHCLRTSA-N 1 3 355.526 2.350 20 0 FEADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCCN4C[C@H]5CC[C@@H](C4)O5)[C@@H]3C2)cc1 ZINC000453360881 560385688 /nfs/dbraw/zinc/38/56/88/560385688.db2.gz VAHSOFDVAJWGDF-ITBHCLRTSA-N 1 3 355.526 2.350 20 0 FEADHO C[C@H](NC(=O)Nc1ccnn1CCN(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000455661202 560490985 /nfs/dbraw/zinc/49/09/85/560490985.db2.gz TWDLRSFQIVUNCU-JKSUJKDBSA-N 1 3 362.522 2.219 20 0 FEADHO C[C@H](NC(=O)Nc1ccnn1CCN(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000455661202 560490986 /nfs/dbraw/zinc/49/09/86/560490986.db2.gz TWDLRSFQIVUNCU-JKSUJKDBSA-N 1 3 362.522 2.219 20 0 FEADHO C[NH+](C)CCCC(C)(C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000456178111 560509800 /nfs/dbraw/zinc/50/98/00/560509800.db2.gz ZPZKYNLMFXWTCY-UHFFFAOYSA-N 1 3 360.546 2.435 20 0 FEADHO COc1cccc([C@H](CNC(=O)NC(C)(C)C[NH+](C)C)N2CCCC2)c1 ZINC000457475700 560569213 /nfs/dbraw/zinc/56/92/13/560569213.db2.gz FCXBVRIJWUUIFM-SFHVURJKSA-N 1 3 362.518 2.472 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000458363648 560617132 /nfs/dbraw/zinc/61/71/32/560617132.db2.gz SBAVXTWPBCCTOF-HXUWFJFHSA-N 1 3 366.550 2.003 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000458363648 560617133 /nfs/dbraw/zinc/61/71/33/560617133.db2.gz SBAVXTWPBCCTOF-HXUWFJFHSA-N 1 3 366.550 2.003 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC1(OC)CCC1 ZINC000458818708 560650136 /nfs/dbraw/zinc/65/01/36/560650136.db2.gz OGENNYBZYYGSBP-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC1(OC)CCC1 ZINC000458818708 560650137 /nfs/dbraw/zinc/65/01/37/560650137.db2.gz OGENNYBZYYGSBP-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)c(C)n1 ZINC000459243020 560675918 /nfs/dbraw/zinc/67/59/18/560675918.db2.gz SFIUQCDQZJXDRD-LJQANCHMSA-N 1 3 361.534 2.256 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)c(C)n1 ZINC000459243020 560675919 /nfs/dbraw/zinc/67/59/19/560675919.db2.gz SFIUQCDQZJXDRD-LJQANCHMSA-N 1 3 361.534 2.256 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCC(OC)CC1 ZINC000459287018 560677613 /nfs/dbraw/zinc/67/76/13/560677613.db2.gz QSHPTMJZIGZZPU-LXPRWKDFSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCC(OC)CC1 ZINC000459287018 560677614 /nfs/dbraw/zinc/67/76/14/560677614.db2.gz QSHPTMJZIGZZPU-LXPRWKDFSA-N 1 3 354.539 2.002 20 0 FEADHO COc1ccc(C[C@@H](CO)C[NH2+]C2CCN(c3ccncc3)CC2)cc1O ZINC000459553986 560693858 /nfs/dbraw/zinc/69/38/58/560693858.db2.gz BSMOLELUJITVGG-QGZVFWFLSA-N 1 3 371.481 2.205 20 0 FEADHO CN1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460100279 560734464 /nfs/dbraw/zinc/73/44/64/560734464.db2.gz BKAGLYJNNFYRJS-HSALFYBXSA-N 1 3 356.514 2.244 20 0 FEADHO CN1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460100279 560734465 /nfs/dbraw/zinc/73/44/65/560734465.db2.gz BKAGLYJNNFYRJS-HSALFYBXSA-N 1 3 356.514 2.244 20 0 FEADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000461379327 560768940 /nfs/dbraw/zinc/76/89/40/560768940.db2.gz LNNOBFACLDGVMO-WMZOPIPTSA-N 1 3 353.551 2.048 20 0 FEADHO CN(C)C1(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000465620659 560869913 /nfs/dbraw/zinc/86/99/13/560869913.db2.gz CVTPIRQRPXARBQ-RBUKOAKNSA-N 1 3 356.514 2.012 20 0 FEADHO CN(C)C1(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000465620659 560869914 /nfs/dbraw/zinc/86/99/14/560869914.db2.gz CVTPIRQRPXARBQ-RBUKOAKNSA-N 1 3 356.514 2.012 20 0 FEADHO C[C@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)C[NH+]1CCCC1 ZINC000465636167 560870182 /nfs/dbraw/zinc/87/01/82/560870182.db2.gz KUZJOZRHKHIWIO-QGZVFWFLSA-N 1 3 358.530 2.117 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C[C@H]1CCCO1 ZINC000465852366 560874180 /nfs/dbraw/zinc/87/41/80/560874180.db2.gz WWYZUZWWUBJGSU-KZNAEPCWSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C[C@H]1CCCO1 ZINC000465852366 560874181 /nfs/dbraw/zinc/87/41/81/560874181.db2.gz WWYZUZWWUBJGSU-KZNAEPCWSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CCN1C ZINC000465896980 560875524 /nfs/dbraw/zinc/87/55/24/560875524.db2.gz SKGKYGXJQBFQRT-FUHWJXTLSA-N 1 3 362.518 2.299 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000466791740 560895671 /nfs/dbraw/zinc/89/56/71/560895671.db2.gz RTVMLVOINUKUGS-APWZRJJASA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000466795094 560895882 /nfs/dbraw/zinc/89/58/82/560895882.db2.gz IOLIJHAVTFANMD-XLIONFOSSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000466795094 560895883 /nfs/dbraw/zinc/89/58/83/560895883.db2.gz IOLIJHAVTFANMD-XLIONFOSSA-N 1 3 356.514 2.387 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC3([NH+](C)C)CCCC3)CC2)c1 ZINC000468400647 560928962 /nfs/dbraw/zinc/92/89/62/560928962.db2.gz DMHUHNLMSLDETK-UHFFFAOYSA-N 1 3 372.557 2.498 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cc(-n3ccnc3)cs2)C1)[C@@H]1CCC[NH2+]1 ZINC000469865339 560967477 /nfs/dbraw/zinc/96/74/77/560967477.db2.gz XRKJWIMQYQWPNK-YJBOKZPZSA-N 1 3 373.526 2.014 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCC[C@@]1(C)CO)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000472610484 561030848 /nfs/dbraw/zinc/03/08/48/561030848.db2.gz NJEVAHVEIMGXLX-WEYGHZABSA-N 1 3 373.541 2.296 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCC[C@H](OC)C1 ZINC000475449212 561097479 /nfs/dbraw/zinc/09/74/79/561097479.db2.gz BXQDCCIXVJEOAF-QRVBRYPASA-N 1 3 353.551 2.456 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCC[C@H](OC)C1 ZINC000475449212 561097480 /nfs/dbraw/zinc/09/74/80/561097480.db2.gz BXQDCCIXVJEOAF-QRVBRYPASA-N 1 3 353.551 2.456 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000529284348 562367223 /nfs/dbraw/zinc/36/72/23/562367223.db2.gz TVXIYVWKTAUYSI-PMACEKPBSA-N 1 3 374.529 2.089 20 0 FEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529306387 562368348 /nfs/dbraw/zinc/36/83/48/562368348.db2.gz LQASRZKPNBEHSU-ZIFCJYIRSA-N 1 3 366.550 2.049 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238129 562403496 /nfs/dbraw/zinc/40/34/96/562403496.db2.gz JZJMZALWDKNKCP-QXAKKESOSA-N 1 3 351.535 2.257 20 0 FEADHO CCOc1c(Cl)cc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1OC ZINC000530641427 562418785 /nfs/dbraw/zinc/41/87/85/562418785.db2.gz XDZBUOCPLSKGOS-UHFFFAOYSA-N 1 3 371.909 2.313 20 0 FEADHO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000530826382 562425372 /nfs/dbraw/zinc/42/53/72/562425372.db2.gz DLBAVPYPGRKTEV-RXVVDRJESA-N 1 3 359.514 2.004 20 0 FEADHO C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000530826382 562425373 /nfs/dbraw/zinc/42/53/73/562425373.db2.gz DLBAVPYPGRKTEV-RXVVDRJESA-N 1 3 359.514 2.004 20 0 FEADHO CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CC1 ZINC000531531500 562448799 /nfs/dbraw/zinc/44/87/99/562448799.db2.gz OJGJATDMFPKVLH-FBBABVLZSA-N 1 3 370.541 2.318 20 0 FEADHO CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CC(=O)N(C(C)C)C2)CC1 ZINC000531530986 562448847 /nfs/dbraw/zinc/44/88/47/562448847.db2.gz CNAGSJQMCQRLDH-LJQANCHMSA-N 1 3 358.530 2.318 20 0 FEADHO COCC(=O)N1CCC([NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000531973652 562463018 /nfs/dbraw/zinc/46/30/18/562463018.db2.gz OHUMIAIRZLOQEQ-VQIMIIECSA-N 1 3 351.535 2.257 20 0 FEADHO COCC(=O)N1CCC(NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000531973652 562463019 /nfs/dbraw/zinc/46/30/19/562463019.db2.gz OHUMIAIRZLOQEQ-VQIMIIECSA-N 1 3 351.535 2.257 20 0 FEADHO CC(=O)N1CC[C@H]([NH2+]CCCCN2CCN(C)CC2)c2ccccc2C1 ZINC000540908587 562596555 /nfs/dbraw/zinc/59/65/55/562596555.db2.gz UNARKVLPGFXDAZ-NRFANRHFSA-N 1 3 358.530 2.097 20 0 FEADHO Cc1cc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000541906205 562623037 /nfs/dbraw/zinc/62/30/37/562623037.db2.gz DTKGHSSUHBSORK-HNNXBMFYSA-N 1 3 360.506 2.230 20 0 FEADHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)n1Cc1ccncc1 ZINC000546571529 562637810 /nfs/dbraw/zinc/63/78/10/562637810.db2.gz TUVNQRYLMBMXCC-UHFFFAOYSA-N 1 3 371.529 2.114 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000549807852 562640003 /nfs/dbraw/zinc/64/00/03/562640003.db2.gz OFJKUWVRPHJPAJ-PXNSSMCTSA-N 1 3 359.514 2.134 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000549807852 562640004 /nfs/dbraw/zinc/64/00/04/562640004.db2.gz OFJKUWVRPHJPAJ-PXNSSMCTSA-N 1 3 359.514 2.134 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000636873204 568140197 /nfs/dbraw/zinc/14/01/97/568140197.db2.gz LDTHAUORDJYVMG-OALUTQOASA-N 1 3 359.518 2.220 20 0 FEADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000604197327 568224779 /nfs/dbraw/zinc/22/47/79/568224779.db2.gz FIJQOKZFPANTDD-IAGOWNOFSA-N 1 3 354.539 2.002 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@H]2CCN(C3CC3)C2)[C@H](C)C1 ZINC000604666664 568342873 /nfs/dbraw/zinc/34/28/73/568342873.db2.gz XQVVKVVSOANKIM-NEWSRXKRSA-N 1 3 366.550 2.002 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)[C@H]2CCN(C3CC3)C2)[C@H](C)C1 ZINC000604666664 568342874 /nfs/dbraw/zinc/34/28/74/568342874.db2.gz XQVVKVVSOANKIM-NEWSRXKRSA-N 1 3 366.550 2.002 20 0 FEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637152292 568459846 /nfs/dbraw/zinc/45/98/46/568459846.db2.gz PFBKBLXJSQUCOW-OAHLLOKOSA-N 1 3 350.511 2.392 20 0 FEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637152292 568459847 /nfs/dbraw/zinc/45/98/47/568459847.db2.gz PFBKBLXJSQUCOW-OAHLLOKOSA-N 1 3 350.511 2.392 20 0 FEADHO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1ccccc1Br ZINC000629564009 676859875 /nfs/dbraw/zinc/85/98/75/676859875.db2.gz JCJLCEPPTNALPS-KGLIPLIRSA-N 1 3 357.292 2.263 20 0 FEADHO COc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000821813454 599407731 /nfs/dbraw/zinc/40/77/31/599407731.db2.gz HOVODIRUOGQTHM-OAHLLOKOSA-N 1 3 358.490 2.477 20 0 FEADHO COc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000821813454 599407732 /nfs/dbraw/zinc/40/77/32/599407732.db2.gz HOVODIRUOGQTHM-OAHLLOKOSA-N 1 3 358.490 2.477 20 0 FEADHO COc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000821813454 599407734 /nfs/dbraw/zinc/40/77/34/599407734.db2.gz HOVODIRUOGQTHM-OAHLLOKOSA-N 1 3 358.490 2.477 20 0 FEADHO COc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000821813454 599407736 /nfs/dbraw/zinc/40/77/36/599407736.db2.gz HOVODIRUOGQTHM-OAHLLOKOSA-N 1 3 358.490 2.477 20 0 FEADHO O=S1(=O)CC[C@H](NCC[C@H]2CC[NH2+]C2)c2cc(Br)ccc21 ZINC000562956051 674827297 /nfs/dbraw/zinc/82/72/97/674827297.db2.gz ZPZZJQAHGOVAKE-RISCZKNCSA-N 1 3 373.316 2.257 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3C[C@@H](C)O[C@H]3C)CC2)CC1 ZINC000565210291 675102702 /nfs/dbraw/zinc/10/27/02/675102702.db2.gz VZUMTSOZDOPQIM-RYRKJORJSA-N 1 3 351.535 2.112 20 0 FEADHO COc1ccccc1COC[C@H](O)C[NH2+]C1CCN(CC(C)C)CC1 ZINC000565593915 675135061 /nfs/dbraw/zinc/13/50/61/675135061.db2.gz MCHPVNHFVQGJBL-LJQANCHMSA-N 1 3 350.503 2.283 20 0 FEADHO [NH3+]CC1(CC(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000572360901 670992408 /nfs/dbraw/zinc/99/24/08/670992408.db2.gz QBCVFJJODATZCB-UHFFFAOYSA-N 1 3 365.905 2.428 20 0 FEADHO C[C@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)C1C[NH2+]C1 ZINC000574037240 671195119 /nfs/dbraw/zinc/19/51/19/671195119.db2.gz IDBVSSHUGHPCSQ-AWEZNQCLSA-N 1 3 365.905 2.155 20 0 FEADHO NC(C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C(F)(F)F ZINC000574199925 671214003 /nfs/dbraw/zinc/21/40/03/671214003.db2.gz FSTHFJORGAIJAI-RDJZCZTQSA-N 1 3 355.404 2.391 20 0 FEADHO NC(C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C(F)(F)F ZINC000574199925 671214005 /nfs/dbraw/zinc/21/40/05/671214005.db2.gz FSTHFJORGAIJAI-RDJZCZTQSA-N 1 3 355.404 2.391 20 0 FEADHO CCO[C@@H]1C[C@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)[C@@H]1OC ZINC000679625063 672510552 /nfs/dbraw/zinc/51/05/52/672510552.db2.gz AHGXNZSGCXNCBM-UHOSZYNNSA-N 1 3 367.921 2.374 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)N(C)C)cc1 ZINC000612982158 676105048 /nfs/dbraw/zinc/10/50/48/676105048.db2.gz IDIYDZSKWKEFSH-DLBZAZTESA-N 1 3 362.543 2.453 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CN1Cc1ccccc1 ZINC000397980578 673164450 /nfs/dbraw/zinc/16/44/50/673164450.db2.gz MGNYITOEAGTPQN-UNEWFSDZSA-N 1 3 355.404 2.308 20 0 FEADHO COC(=O)CCCN1CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2)CC1 ZINC000597207986 673456725 /nfs/dbraw/zinc/45/67/25/673456725.db2.gz IPADZNLYYIBYBB-GOSISDBHSA-N 1 3 351.535 2.401 20 0 FEADHO C[C@H]1CN(CCOC2CCN(CCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000539150393 673476816 /nfs/dbraw/zinc/47/68/16/673476816.db2.gz WALKWOYPTNKTPN-OALUTQOASA-N 1 3 353.551 2.063 20 0 FEADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000622186110 676495694 /nfs/dbraw/zinc/49/56/94/676495694.db2.gz ZLYOFXAJDACARA-QZTJIDSGSA-N 1 3 351.535 2.353 20 0 FEADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000622186110 676495696 /nfs/dbraw/zinc/49/56/96/676495696.db2.gz ZLYOFXAJDACARA-QZTJIDSGSA-N 1 3 351.535 2.353 20 0 FEADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC1(C)C ZINC000623379611 676531713 /nfs/dbraw/zinc/53/17/13/676531713.db2.gz BDILRGCBCHEXOZ-AWEZNQCLSA-N 1 3 359.923 2.081 20 0 FEADHO CN(C)C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000638662972 677148590 /nfs/dbraw/zinc/14/85/90/677148590.db2.gz CNGXNPWFLJAVHV-XJKSGUPXSA-N 1 3 374.312 2.481 20 0 FEADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000638765692 677149866 /nfs/dbraw/zinc/14/98/66/677149866.db2.gz KZCGHCWLXRHLHN-HNNXBMFYSA-N 1 3 353.457 2.368 20 0 FEADHO C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639758010 677165222 /nfs/dbraw/zinc/16/52/22/677165222.db2.gz OJOFJZXBDBIJNY-ROUUACIJSA-N 1 3 351.535 2.116 20 0 FEADHO OC[C@H](c1ccc(Cl)cc1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000649413572 677330703 /nfs/dbraw/zinc/33/07/03/677330703.db2.gz KNJPKMKHWPZUTJ-LJQANCHMSA-N 1 3 351.922 2.381 20 0 FEADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCC1(N3CCSCC3)CCCC1)C2 ZINC000652131505 677472523 /nfs/dbraw/zinc/47/25/23/677472523.db2.gz ASQPJXHYOISRID-WMZOPIPTSA-N 1 3 366.575 2.118 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3nc(C)cs3)CC2)CC1 ZINC000654451439 677581657 /nfs/dbraw/zinc/58/16/57/677581657.db2.gz VRUIOUITGHRORE-UHFFFAOYSA-N 1 3 364.559 2.307 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C[C@H]3CCOC3)CC2)CC1 ZINC000654894654 677611031 /nfs/dbraw/zinc/61/10/31/677611031.db2.gz UBRGJSBSZOUOKB-IAGOWNOFSA-N 1 3 351.535 2.114 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000655730790 677664226 /nfs/dbraw/zinc/66/42/26/677664226.db2.gz TWFKYCCEZZTBCJ-QWFCFKBJSA-N 1 3 353.551 2.109 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000655730788 677664426 /nfs/dbraw/zinc/66/44/26/677664426.db2.gz TWFKYCCEZZTBCJ-GGPKGHCWSA-N 1 3 353.551 2.109 20 0 FEADHO CC[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)N1CCc2ccccc2C1 ZINC000655912225 677671881 /nfs/dbraw/zinc/67/18/81/677671881.db2.gz LMRZZBFYHSVHIP-HUUCEWRRSA-N 1 3 358.408 2.012 20 0 FEADHO CCN1CC[NH+](CCCCNCc2c(F)cncc2Br)CC1 ZINC000657307096 677993228 /nfs/dbraw/zinc/99/32/28/677993228.db2.gz AFFPFUIXKYMJRV-UHFFFAOYSA-N 1 3 373.314 2.491 20 0 FEADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000658994285 678143259 /nfs/dbraw/zinc/14/32/59/678143259.db2.gz NLGQOQPKWYDAGK-IAGOWNOFSA-N 1 3 352.454 2.310 20 0 FEADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](F)[C@H](N)C2)[C@@H]1c1cccs1 ZINC000659458237 678179731 /nfs/dbraw/zinc/17/97/31/678179731.db2.gz CTYJTMNPBIAHRF-IXYNUQLISA-N 1 3 354.495 2.212 20 0 FEADHO C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](F)[C@H](N)C2)[C@@H]1c1cccs1 ZINC000659458237 678179735 /nfs/dbraw/zinc/17/97/35/678179735.db2.gz CTYJTMNPBIAHRF-IXYNUQLISA-N 1 3 354.495 2.212 20 0 FEADHO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662248395 678596668 /nfs/dbraw/zinc/59/66/68/678596668.db2.gz ANEKXNRXAGSGNT-CQSZACIVSA-N 1 3 359.495 2.173 20 0 FEADHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)C[C@H]1CNCCO1 ZINC000662656631 678647755 /nfs/dbraw/zinc/64/77/55/678647755.db2.gz QOIYDKGBEPBBJI-SFHVURJKSA-N 1 3 367.921 2.389 20 0 FEADHO N[C@H](CC(F)F)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662715716 678654113 /nfs/dbraw/zinc/65/41/13/678654113.db2.gz PCEDIVZQSOLLRT-JKSUJKDBSA-N 1 3 351.441 2.387 20 0 FEADHO N[C@H](CC(F)F)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662715716 678654115 /nfs/dbraw/zinc/65/41/15/678654115.db2.gz PCEDIVZQSOLLRT-JKSUJKDBSA-N 1 3 351.441 2.387 20 0 FEADHO COc1cc(C)cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000664512595 678888676 /nfs/dbraw/zinc/88/86/76/678888676.db2.gz ZUTOWQHWQNKNKW-INIZCTEOSA-N 1 3 350.507 2.075 20 0 FEADHO COc1cc(C)cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000664512595 678888679 /nfs/dbraw/zinc/88/86/79/678888679.db2.gz ZUTOWQHWQNKNKW-INIZCTEOSA-N 1 3 350.507 2.075 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C(F)F ZINC000669483940 679238193 /nfs/dbraw/zinc/23/81/93/679238193.db2.gz UDAOGPGWCQKKPI-CVEARBPZSA-N 1 3 354.445 2.495 20 0 FEADHO Cc1ncsc1CCN1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214991 680431019 /nfs/dbraw/zinc/43/10/19/680431019.db2.gz TXOTVJLSMGRXEZ-IXDOHACOSA-N 1 3 364.559 2.305 20 0 FEADHO Cc1ncsc1CCN1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034214991 680431021 /nfs/dbraw/zinc/43/10/21/680431021.db2.gz TXOTVJLSMGRXEZ-IXDOHACOSA-N 1 3 364.559 2.305 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC3(CCN(Cc4cncs4)C3)CC2)CC[N@@H+]1C ZINC001035186796 680443378 /nfs/dbraw/zinc/44/33/78/680443378.db2.gz JIRYZIQIWKRWHP-NVXWUHKLSA-N 1 3 362.543 2.298 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC3(CCN(Cc4cncs4)C3)CC2)CC[N@H+]1C ZINC001035186796 680443381 /nfs/dbraw/zinc/44/33/81/680443381.db2.gz JIRYZIQIWKRWHP-NVXWUHKLSA-N 1 3 362.543 2.298 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCCC2CCOCC2)CC[N@@H+]1C ZINC001038268000 680454455 /nfs/dbraw/zinc/45/44/55/680454455.db2.gz ALCAFYRVILXMBM-GBESFXJTSA-N 1 3 351.535 2.114 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCCC2CCOCC2)CC[N@H+]1C ZINC001038268000 680454457 /nfs/dbraw/zinc/45/44/57/680454457.db2.gz ALCAFYRVILXMBM-GBESFXJTSA-N 1 3 351.535 2.114 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc(Cl)n1 ZINC000843490201 681006680 /nfs/dbraw/zinc/00/66/80/681006680.db2.gz GCHXXGNTMWXMDJ-FVQBIDKESA-N 1 3 350.894 2.376 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc(Cl)n1 ZINC000843490201 681006684 /nfs/dbraw/zinc/00/66/84/681006684.db2.gz GCHXXGNTMWXMDJ-FVQBIDKESA-N 1 3 350.894 2.376 20 0 FEADHO C[C@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000774763966 681230995 /nfs/dbraw/zinc/23/09/95/681230995.db2.gz PKSUWWILONGOMI-ZYSHUDEJSA-N 1 3 351.922 2.331 20 0 FEADHO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000774763966 681231003 /nfs/dbraw/zinc/23/10/03/681231003.db2.gz PKSUWWILONGOMI-ZYSHUDEJSA-N 1 3 351.922 2.331 20 0 FEADHO CC[N@H+](C)C[C@H](O)CN[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000846824341 681295278 /nfs/dbraw/zinc/29/52/78/681295278.db2.gz MKHCQFUWAYQDHY-FCEWJHQRSA-N 1 3 357.539 2.362 20 0 FEADHO CC[N@@H+](C)C[C@H](O)CN[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000846824341 681295279 /nfs/dbraw/zinc/29/52/79/681295279.db2.gz MKHCQFUWAYQDHY-FCEWJHQRSA-N 1 3 357.539 2.362 20 0 FEADHO C[N@H+](CCCN1CCCC1)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846890291 681304110 /nfs/dbraw/zinc/30/41/10/681304110.db2.gz FXYFEHBDWGEYDO-LJQANCHMSA-N 1 3 355.523 2.166 20 0 FEADHO C[N@@H+](CCCN1CCCC1)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846890291 681304115 /nfs/dbraw/zinc/30/41/15/681304115.db2.gz FXYFEHBDWGEYDO-LJQANCHMSA-N 1 3 355.523 2.166 20 0 FEADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000847007009 681320150 /nfs/dbraw/zinc/32/01/50/681320150.db2.gz ALSBBNKUOAKITD-IXDOHACOSA-N 1 3 357.539 2.314 20 0 FEADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000847007009 681320155 /nfs/dbraw/zinc/32/01/55/681320155.db2.gz ALSBBNKUOAKITD-IXDOHACOSA-N 1 3 357.539 2.314 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCN1CCc2c(Cl)cccc2C1 ZINC000849108064 681654476 /nfs/dbraw/zinc/65/44/76/681654476.db2.gz WTBRDNMLXVFBOE-MRXNPFEDSA-N 1 3 363.937 2.296 20 0 FEADHO CN(C)Cc1cnc(CNCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000850344540 681888196 /nfs/dbraw/zinc/88/81/96/681888196.db2.gz MDIJCFIHIFKLBC-UHFFFAOYSA-N 1 3 352.548 2.185 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3ccncc3Cl)C2)CC[N@@H+]1C ZINC000961848097 682101907 /nfs/dbraw/zinc/10/19/07/682101907.db2.gz DZZMAQDRTHNXLJ-FKFRUQKQSA-N 1 3 350.894 2.060 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3ccncc3Cl)C2)CC[N@H+]1C ZINC000961848097 682101912 /nfs/dbraw/zinc/10/19/12/682101912.db2.gz DZZMAQDRTHNXLJ-FKFRUQKQSA-N 1 3 350.894 2.060 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000852013962 682203140 /nfs/dbraw/zinc/20/31/40/682203140.db2.gz XMFQXCNGJMIPGD-IAGOWNOFSA-N 1 3 357.539 2.314 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000852013962 682203142 /nfs/dbraw/zinc/20/31/42/682203142.db2.gz XMFQXCNGJMIPGD-IAGOWNOFSA-N 1 3 357.539 2.314 20 0 FEADHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)nc1 ZINC000925852563 683043969 /nfs/dbraw/zinc/04/39/69/683043969.db2.gz WJQGYPRDHLGANF-AAEUAGOBSA-N 1 3 368.275 2.180 20 0 FEADHO COCCN(CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC000796858356 683201515 /nfs/dbraw/zinc/20/15/15/683201515.db2.gz YKYVBRHYMFCLDG-ZACQAIPSSA-N 1 3 355.523 2.332 20 0 FEADHO COCCN(CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC000796858356 683201518 /nfs/dbraw/zinc/20/15/18/683201518.db2.gz YKYVBRHYMFCLDG-ZACQAIPSSA-N 1 3 355.523 2.332 20 0 FEADHO CN1CCC(NC(=S)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000798371594 683340452 /nfs/dbraw/zinc/34/04/52/683340452.db2.gz CMLDXEVPCAKPNO-HXUWFJFHSA-N 1 3 360.571 2.457 20 0 FEADHO CN1CCC(NC(=S)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000798371594 683340456 /nfs/dbraw/zinc/34/04/56/683340456.db2.gz CMLDXEVPCAKPNO-HXUWFJFHSA-N 1 3 360.571 2.457 20 0 FEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc([C@@H](C)O)s3)C2)[C@@H]1C(C)C ZINC000922393103 683713506 /nfs/dbraw/zinc/71/35/06/683713506.db2.gz KCKTVQXDXMNDPK-PVWIJFIWSA-N 1 3 353.532 2.156 20 0 FEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc([C@@H](C)O)s3)C2)[C@@H]1C(C)C ZINC000922393103 683713513 /nfs/dbraw/zinc/71/35/13/683713513.db2.gz KCKTVQXDXMNDPK-PVWIJFIWSA-N 1 3 353.532 2.156 20 0 FEADHO COCC(COC)[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000931094360 683830976 /nfs/dbraw/zinc/83/09/76/683830976.db2.gz NKFIAFZPZGFHOI-IBGZPJMESA-N 1 3 351.491 2.036 20 0 FEADHO COCC(COC)[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000931094360 683830986 /nfs/dbraw/zinc/83/09/86/683830986.db2.gz NKFIAFZPZGFHOI-IBGZPJMESA-N 1 3 351.491 2.036 20 0 FEADHO COC[C@H](C)OC[C@H](O)CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923343859 684267087 /nfs/dbraw/zinc/26/70/87/684267087.db2.gz YEEMMHAJWZXKJI-JQHSSLGASA-N 1 3 368.543 2.105 20 0 FEADHO [NH3+]CC[C@H]1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000923479624 684287606 /nfs/dbraw/zinc/28/76/06/684287606.db2.gz AAEZEWRWIGDJOM-WFASDCNBSA-N 1 3 352.276 2.225 20 0 FEADHO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158202 684923763 /nfs/dbraw/zinc/92/37/63/684923763.db2.gz ZPMFMYBHKMEQNX-FPAYPSAMSA-N 1 3 351.535 2.290 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C3(COC)CCC3)CC2)CC1 ZINC000874940917 685699365 /nfs/dbraw/zinc/69/93/65/685699365.db2.gz XBOUXMAAMZJXNS-UHFFFAOYSA-N 1 3 351.535 2.210 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1cccc(OC)c1 ZINC000876715259 686251341 /nfs/dbraw/zinc/25/13/41/686251341.db2.gz IVFHHJNMQZSLJG-JYJNAYRXSA-N 1 3 355.429 2.034 20 0 FEADHO O=C(Nc1cnc2c(c1)CNCC2)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000876794608 686270306 /nfs/dbraw/zinc/27/03/06/686270306.db2.gz XYBLJCNATZWRRV-DLBZAZTESA-N 1 3 356.857 2.322 20 0 FEADHO CN(C)S(=O)(=O)c1ccc(CN2CCC3(CC2)CC[NH+](C)CC3)cc1 ZINC000879249780 686779539 /nfs/dbraw/zinc/77/95/39/686779539.db2.gz BFAUKGSZLJZGEJ-UHFFFAOYSA-N 1 3 365.543 2.245 20 0 FEADHO Nc1ccnc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000891461463 689064754 /nfs/dbraw/zinc/06/47/54/689064754.db2.gz MOTCTBDONOEZTI-AWEZNQCLSA-N 1 3 359.499 2.437 20 0 FEADHO Nc1ccnc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000891461463 689064758 /nfs/dbraw/zinc/06/47/58/689064758.db2.gz MOTCTBDONOEZTI-AWEZNQCLSA-N 1 3 359.499 2.437 20 0 FEADHO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)[C@@H](c1ccccc1)N(C)C ZINC000891894172 689123573 /nfs/dbraw/zinc/12/35/73/689123573.db2.gz DJBYSXZALRQEAH-BPUTZDHNSA-N 1 3 354.445 2.222 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)N(C)C)cc1 ZINC000895059730 689650818 /nfs/dbraw/zinc/65/08/18/689650818.db2.gz WPXQKIQNGIHSPY-JZXOWHBKSA-N 1 3 362.543 2.214 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)N(C)C)cc1 ZINC000895059730 689650821 /nfs/dbraw/zinc/65/08/21/689650821.db2.gz WPXQKIQNGIHSPY-JZXOWHBKSA-N 1 3 362.543 2.214 20 0 FEADHO CC(C)N1CCC([NH2+]Cc2ccc(CS(=O)(=O)N(C)C)cc2)CC1 ZINC000903174978 690861562 /nfs/dbraw/zinc/86/15/62/690861562.db2.gz KRNQZCIVURWCJB-UHFFFAOYSA-N 1 3 353.532 2.040 20 0 FEADHO Clc1ccc2nc(CN3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)cn2c1 ZINC000903508821 690904700 /nfs/dbraw/zinc/90/47/00/690904700.db2.gz WJWAOXWJCJPHOO-HDICACEKSA-N 1 3 359.905 2.388 20 0 FEADHO Clc1ccc2nc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CCNCC3)cn2c1 ZINC000903508821 690904705 /nfs/dbraw/zinc/90/47/05/690904705.db2.gz WJWAOXWJCJPHOO-HDICACEKSA-N 1 3 359.905 2.388 20 0 FEADHO Clc1ccc2nc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CCNCC3)cn2c1 ZINC000903508821 690904710 /nfs/dbraw/zinc/90/47/10/690904710.db2.gz WJWAOXWJCJPHOO-HDICACEKSA-N 1 3 359.905 2.388 20 0 FEADHO Cc1ccc(C(=O)NC2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)s1 ZINC000903727169 690967455 /nfs/dbraw/zinc/96/74/55/690967455.db2.gz RKISXFAGCFDTEJ-QFBILLFUSA-N 1 3 363.527 2.019 20 0 FEADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000903842721 690978166 /nfs/dbraw/zinc/97/81/66/690978166.db2.gz SPYDEOYEXCZCBP-DLKVLKDVSA-N 1 3 364.287 2.366 20 0 FEADHO C[C@]1(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CCCNC1 ZINC000904380358 691023612 /nfs/dbraw/zinc/02/36/12/691023612.db2.gz BDGYJLPOQXGGPY-CLBVLKOUSA-N 1 3 359.436 2.107 20 0 FEADHO C[C@]1(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CCCNC1 ZINC000904380358 691023616 /nfs/dbraw/zinc/02/36/16/691023616.db2.gz BDGYJLPOQXGGPY-CLBVLKOUSA-N 1 3 359.436 2.107 20 0 FEADHO C[C@@](O)(C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C(F)F ZINC000905051935 691061742 /nfs/dbraw/zinc/06/17/42/691061742.db2.gz JTFOHTCFROQDQP-LJQANCHMSA-N 1 3 355.473 2.190 20 0 FEADHO CC[C@](O)(CNCc1ccc(C[NH+]2CCC(O)CC2)cc1)C(F)(F)F ZINC000905113618 691070211 /nfs/dbraw/zinc/07/02/11/691070211.db2.gz IIFCKXXDDZHMAK-KRWDZBQOSA-N 1 3 360.420 2.436 20 0 FEADHO C[C@](O)(C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)C(F)(F)C(F)(F)F ZINC000905173927 691076310 /nfs/dbraw/zinc/07/63/10/691076310.db2.gz IKPUDNJYFWMRFJ-MJBXVCDLSA-N 1 3 374.394 2.293 20 0 FEADHO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)CNC1CC([NH+]2CCCCC2)C1 ZINC000905247152 691088639 /nfs/dbraw/zinc/08/86/39/691088639.db2.gz HAJHOARYORWHHF-USWSCHJFSA-N 1 3 352.519 2.467 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000054509307 540592769 /nfs/dbraw/zinc/59/27/69/540592769.db2.gz PANDQRANNNGDAV-SFHVURJKSA-N 1 3 358.530 2.466 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000054509307 540592771 /nfs/dbraw/zinc/59/27/71/540592771.db2.gz PANDQRANNNGDAV-SFHVURJKSA-N 1 3 358.530 2.466 20 0 FEADHO C[NH+](C)CCOc1ccc(CNCc2ccnc(N3CCOCC3)c2)cc1 ZINC000069678194 541703762 /nfs/dbraw/zinc/70/37/62/541703762.db2.gz WRPWDBFVAZKCCL-UHFFFAOYSA-N 1 3 370.497 2.148 20 0 FEADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000073473457 541956513 /nfs/dbraw/zinc/95/65/13/541956513.db2.gz DGCRHYATGDXAIP-LJQANCHMSA-N 1 3 363.546 2.498 20 0 FEADHO CCC[NH+]1CCC(NC(=O)c2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC000074186414 542050579 /nfs/dbraw/zinc/05/05/79/542050579.db2.gz XKSJTQHTUWXUEE-UHFFFAOYSA-N 1 3 358.530 2.433 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ncc(C)s1 ZINC000074758154 542117534 /nfs/dbraw/zinc/11/75/34/542117534.db2.gz UWNNJXMNDQJATF-OAHLLOKOSA-N 1 3 353.536 2.009 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ncc(C)s1 ZINC000074758154 542117538 /nfs/dbraw/zinc/11/75/38/542117538.db2.gz UWNNJXMNDQJATF-OAHLLOKOSA-N 1 3 353.536 2.009 20 0 FEADHO CN(CCNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000074858123 542130464 /nfs/dbraw/zinc/13/04/64/542130464.db2.gz VTHXELOAMMUBNH-HXUWFJFHSA-N 1 3 358.530 2.492 20 0 FEADHO CN(CCNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000074858123 542130469 /nfs/dbraw/zinc/13/04/69/542130469.db2.gz VTHXELOAMMUBNH-HXUWFJFHSA-N 1 3 358.530 2.492 20 0 FEADHO CN(CCCN1C(=O)NC(C)(C)C1=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109650 542234387 /nfs/dbraw/zinc/23/43/87/542234387.db2.gz CFNPXPTXLJRYOK-SFHVURJKSA-N 1 3 372.513 2.161 20 0 FEADHO CN(CCCN1C(=O)NC(C)(C)C1=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109650 542234390 /nfs/dbraw/zinc/23/43/90/542234390.db2.gz CFNPXPTXLJRYOK-SFHVURJKSA-N 1 3 372.513 2.161 20 0 FEADHO CN(C)Cc1ccc(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000077339499 542369495 /nfs/dbraw/zinc/36/94/95/542369495.db2.gz YVWFTNHGDQDTHF-LJQANCHMSA-N 1 3 374.529 2.048 20 0 FEADHO C[NH+](C)CC[C@H](NC(=O)N1CCN(CC2CCOCC2)CC1)C(C)(C)C ZINC000077604403 542401896 /nfs/dbraw/zinc/40/18/96/542401896.db2.gz PTLLRCHYKZNMOM-SFHVURJKSA-N 1 3 368.566 2.107 20 0 FEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000081481185 542660306 /nfs/dbraw/zinc/66/03/06/542660306.db2.gz GLYYGVLUJQAEDS-GOSISDBHSA-N 1 3 351.535 2.212 20 0 FEADHO CCC[NH+]1CCC(NC(=O)NCc2cccc(OCCN(C)C)c2)CC1 ZINC000107329953 543266568 /nfs/dbraw/zinc/26/65/68/543266568.db2.gz XQCZWIYRKPPWCT-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO CN(C)[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccccc1 ZINC000107386884 543269616 /nfs/dbraw/zinc/26/96/16/543269616.db2.gz DOAWCSUULCVRSS-FQEVSTJZSA-N 1 3 369.513 2.458 20 0 FEADHO C[C@@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000111599705 543408083 /nfs/dbraw/zinc/40/80/83/543408083.db2.gz XWUPXOLRVWPBBL-SFHVURJKSA-N 1 3 358.530 2.188 20 0 FEADHO C[C@@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000111599705 543408085 /nfs/dbraw/zinc/40/80/85/543408085.db2.gz XWUPXOLRVWPBBL-SFHVURJKSA-N 1 3 358.530 2.188 20 0 FEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(CCOC)CC2)C1 ZINC000111842059 543419246 /nfs/dbraw/zinc/41/92/46/543419246.db2.gz VDCJRGSXJWEJDY-QGZVFWFLSA-N 1 3 368.566 2.297 20 0 FEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(CCOC)CC2)C1 ZINC000111842059 543419249 /nfs/dbraw/zinc/41/92/49/543419249.db2.gz VDCJRGSXJWEJDY-QGZVFWFLSA-N 1 3 368.566 2.297 20 0 FEADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000115816203 543587413 /nfs/dbraw/zinc/58/74/13/543587413.db2.gz PVAIIGHGLLGAQF-IBGZPJMESA-N 1 3 373.545 2.072 20 0 FEADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000115816203 543587415 /nfs/dbraw/zinc/58/74/15/543587415.db2.gz PVAIIGHGLLGAQF-IBGZPJMESA-N 1 3 373.545 2.072 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(F)ccc1OC(F)F ZINC000120282029 543678351 /nfs/dbraw/zinc/67/83/51/543678351.db2.gz WMTGPXNWADFOAR-UHFFFAOYSA-N 1 3 362.396 2.384 20 0 FEADHO CCC[NH+]1CCC(CN[C@@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000122743846 543721541 /nfs/dbraw/zinc/72/15/41/543721541.db2.gz ALOUFLGUKGGWRK-HNNXBMFYSA-N 1 3 353.532 2.367 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000123907603 543790728 /nfs/dbraw/zinc/79/07/28/543790728.db2.gz YKDOOUBRIQUQLB-MBOZVWFJSA-N 1 3 363.546 2.209 20 0 FEADHO C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)N1[C@H](C)CC[C@H]1C ZINC000126958749 543965269 /nfs/dbraw/zinc/96/52/69/543965269.db2.gz WPFAJBIFWCJLQH-KURKYZTESA-N 1 3 351.535 2.399 20 0 FEADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc(N2CCCC2=O)c1 ZINC000128088428 544032050 /nfs/dbraw/zinc/03/20/50/544032050.db2.gz NFMFWWSYJZIJRH-WMZOPIPTSA-N 1 3 372.513 2.051 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000128555153 544058753 /nfs/dbraw/zinc/05/87/53/544058753.db2.gz OHGIMIGQPVIKCE-WSTZPKSXSA-N 1 3 358.530 2.044 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000128555153 544058756 /nfs/dbraw/zinc/05/87/56/544058756.db2.gz OHGIMIGQPVIKCE-WSTZPKSXSA-N 1 3 358.530 2.044 20 0 FEADHO COCCCN1CCC(NC(=O)N2CCC([NH2+]C3CCCC3)CC2)CC1 ZINC000132353364 544228157 /nfs/dbraw/zinc/22/81/57/544228157.db2.gz NFEWSLUAEDOQAR-UHFFFAOYSA-N 1 3 366.550 2.194 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)C[C@H]1CSCC[NH2+]1)c1cccc(OC)c1 ZINC000133400543 544268100 /nfs/dbraw/zinc/26/81/00/544268100.db2.gz URGPUYQARJDGBA-WMZOPIPTSA-N 1 3 365.543 2.289 20 0 FEADHO COc1ccc([C@H](CNC(=O)[C@@H]2CC23CC[NH2+]CC3)N2CCCC2)cc1 ZINC000137165629 544386115 /nfs/dbraw/zinc/38/61/15/544386115.db2.gz ZMJYGKLVRUZFRE-OALUTQOASA-N 1 3 357.498 2.338 20 0 FEADHO CN(C)CCN(C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCC1 ZINC000150828111 544476079 /nfs/dbraw/zinc/47/60/79/544476079.db2.gz ROJUBVMMFJVJLV-QGZVFWFLSA-N 1 3 366.550 2.003 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)COC/C=C/c3ccccc3)CC2)CC1 ZINC000151175068 544513636 /nfs/dbraw/zinc/51/36/36/544513636.db2.gz ZZBIWZDDZDFKIB-VMPITWQZSA-N 1 3 371.525 2.391 20 0 FEADHO COc1ccc(F)cc1[C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000153698614 544810109 /nfs/dbraw/zinc/81/01/09/544810109.db2.gz CZQMSONDSQPCSD-CQSZACIVSA-N 1 3 354.470 2.030 20 0 FEADHO CN1C(=O)CCc2cc(C[NH2+]C3CCN([C@H]4CCCC[C@H]4O)CC3)ccc21 ZINC000187307013 328015223 /nfs/dbraw/zinc/01/52/23/328015223.db2.gz MDRGYRHVPDXSEX-LEWJYISDSA-N 1 3 371.525 2.453 20 0 FEADHO CCO[C@H]1C[C@](N)(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1(C)C ZINC000188065490 328063567 /nfs/dbraw/zinc/06/35/67/328063567.db2.gz XDAKKUAGIFELQY-RXVVDRJESA-N 1 3 359.514 2.431 20 0 FEADHO CCN1CCN(CCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189040117 328125253 /nfs/dbraw/zinc/12/52/53/328125253.db2.gz PKBIXGRTCVHGDK-UHFFFAOYSA-N 1 3 359.493 2.188 20 0 FEADHO [NH3+][C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000191372247 328262544 /nfs/dbraw/zinc/26/25/44/328262544.db2.gz WVFOUODSSQZNIO-NVXWUHKLSA-N 1 3 355.404 2.391 20 0 FEADHO CC(C)N1CCN(CCC[NH+]2CCC(OC[C@@H]3CCCO3)CC2)CC1 ZINC000191540927 328270452 /nfs/dbraw/zinc/27/04/52/328270452.db2.gz DNTZSLIOOBKMIJ-FQEVSTJZSA-N 1 3 353.551 2.063 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC000192739827 328336679 /nfs/dbraw/zinc/33/66/79/328336679.db2.gz NIVZZDQXPFZGCJ-LJQANCHMSA-N 1 3 366.594 2.277 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC000192739827 328336680 /nfs/dbraw/zinc/33/66/80/328336680.db2.gz NIVZZDQXPFZGCJ-LJQANCHMSA-N 1 3 366.594 2.277 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)C2(N)CCCC2)cc1OC ZINC000236881720 328496979 /nfs/dbraw/zinc/49/69/79/328496979.db2.gz WNPXGDDWEIDQMG-UHFFFAOYSA-N 1 3 363.502 2.304 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H](C)C[NH+]2CCCC2)o1 ZINC000079633761 325100449 /nfs/dbraw/zinc/10/04/49/325100449.db2.gz IDJKUFCGWDEAMG-INIZCTEOSA-N 1 3 350.507 2.393 20 0 FEADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000237483055 328517588 /nfs/dbraw/zinc/51/75/88/328517588.db2.gz CKGBDDPOEOHKGD-RBUKOAKNSA-N 1 3 358.530 2.175 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000089461043 325317471 /nfs/dbraw/zinc/31/74/71/325317471.db2.gz RZMCVORSVFDLHG-HXUWFJFHSA-N 1 3 374.529 2.207 20 0 FEADHO Cc1nc(Cl)ccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120176516 326237770 /nfs/dbraw/zinc/23/77/70/326237770.db2.gz SHLXFVLARYJBHT-UHFFFAOYSA-N 1 3 350.894 2.332 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000120297053 326247536 /nfs/dbraw/zinc/24/75/36/326247536.db2.gz DYOVSJBUJIRGDU-SJORKVTESA-N 1 3 368.591 2.330 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000120297053 326247537 /nfs/dbraw/zinc/24/75/37/326247537.db2.gz DYOVSJBUJIRGDU-SJORKVTESA-N 1 3 368.591 2.330 20 0 FEADHO Cc1cc2c(cc1NC(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)OCO2 ZINC000120339078 326250821 /nfs/dbraw/zinc/25/08/21/326250821.db2.gz UETHEYMPOZPKDX-UHFFFAOYSA-N 1 3 374.485 2.404 20 0 FEADHO C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1cccc(OCCN(C)C)c1 ZINC000120876942 326295333 /nfs/dbraw/zinc/29/53/33/326295333.db2.gz RTBSCIQZBXFNOB-RBUKOAKNSA-N 1 3 362.562 2.161 20 0 FEADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000137221475 326659122 /nfs/dbraw/zinc/65/91/22/326659122.db2.gz IAODXXRRWLANEF-IBGZPJMESA-N 1 3 357.498 2.219 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)C[C@@H](C)O1 ZINC000166428504 327082284 /nfs/dbraw/zinc/08/22/84/327082284.db2.gz XEBIKROXMRPCPR-CJGGRQNCSA-N 1 3 363.546 2.255 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000171190138 327123187 /nfs/dbraw/zinc/12/31/87/327123187.db2.gz HMVWNCJPZRIHIZ-IBGZPJMESA-N 1 3 362.518 2.089 20 0 FEADHO CN(C)CCNC(=O)C1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000171656231 327152367 /nfs/dbraw/zinc/15/23/67/327152367.db2.gz LZAPLXWHYIQKKA-UHFFFAOYSA-N 1 3 367.921 2.499 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCCN(C3CC3)CC2)[C@H](C)C1 ZINC000172166455 327185129 /nfs/dbraw/zinc/18/51/29/327185129.db2.gz LQSXGLMKLSLEIN-MJGOQNOKSA-N 1 3 366.550 2.003 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCCN(C3CC3)CC2)[C@H](C)C1 ZINC000172166455 327185130 /nfs/dbraw/zinc/18/51/30/327185130.db2.gz LQSXGLMKLSLEIN-MJGOQNOKSA-N 1 3 366.550 2.003 20 0 FEADHO [NH3+]CCN(CCc1ccccc1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000261625038 328806257 /nfs/dbraw/zinc/80/62/57/328806257.db2.gz ADUYNCQEWRYYRP-UHFFFAOYSA-N 1 3 359.514 2.052 20 0 FEADHO CC(=O)c1c(C)[nH]c(C(=O)N(CCCN(C)C)CCC[NH+](C)C)c1C ZINC000264922928 329074667 /nfs/dbraw/zinc/07/46/67/329074667.db2.gz QELHQZUWXAYNEY-UHFFFAOYSA-N 1 3 350.507 2.180 20 0 FEADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267186653 329300377 /nfs/dbraw/zinc/30/03/77/329300377.db2.gz CPWGXNBRHSJJIZ-SIKLNZKXSA-N 1 3 374.573 2.064 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000268114406 329386500 /nfs/dbraw/zinc/38/65/00/329386500.db2.gz JXBAKOJUCSOQKS-YFVAEKQCSA-N 1 3 370.541 2.333 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000268114406 329386501 /nfs/dbraw/zinc/38/65/01/329386501.db2.gz JXBAKOJUCSOQKS-YFVAEKQCSA-N 1 3 370.541 2.333 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000269215051 329497264 /nfs/dbraw/zinc/49/72/64/329497264.db2.gz QPDUOIDVTHPLDJ-OALUTQOASA-N 1 3 358.530 2.011 20 0 FEADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000273798125 329892545 /nfs/dbraw/zinc/89/25/45/329892545.db2.gz VGJBVHJQUZMXLE-OAQYLSRUSA-N 1 3 370.545 2.334 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N(CC)CCC[NH+](C)C)c1 ZINC000276297962 330138214 /nfs/dbraw/zinc/13/82/14/330138214.db2.gz SNPRQARHWSNQEO-UHFFFAOYSA-N 1 3 362.518 2.267 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)CC1 ZINC000367049692 330211256 /nfs/dbraw/zinc/21/12/56/330211256.db2.gz IGFNCQUDOYHQIM-JOCHJYFZSA-N 1 3 359.558 2.472 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@]2(CO)Cc2ccccc2)CC1 ZINC000367049692 330211257 /nfs/dbraw/zinc/21/12/57/330211257.db2.gz IGFNCQUDOYHQIM-JOCHJYFZSA-N 1 3 359.558 2.472 20 0 FEADHO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1c(C)nn(C)c1N1CCCN(C)CC1 ZINC000367056810 330212234 /nfs/dbraw/zinc/21/22/34/330212234.db2.gz CCJCSHOWERAGDN-MJGOQNOKSA-N 1 3 363.550 2.165 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCN3CCC2CC3)CC1 ZINC000367073176 330213896 /nfs/dbraw/zinc/21/38/96/330213896.db2.gz JDAUHNADCVKVIE-UHFFFAOYSA-N 1 3 356.514 2.449 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)N1[C@H](C)CC[C@H]1C ZINC000369342158 330241949 /nfs/dbraw/zinc/24/19/49/330241949.db2.gz IGLSXCVNUIJMBO-VWQYPGANSA-N 1 3 351.535 2.253 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)N1[C@H](C)CC[C@H]1C ZINC000369342158 330241950 /nfs/dbraw/zinc/24/19/50/330241950.db2.gz IGLSXCVNUIJMBO-VWQYPGANSA-N 1 3 351.535 2.253 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)CCCN2CCC([NH3+])CC2)N2CCCC2)cc1 ZINC000433148949 330273153 /nfs/dbraw/zinc/27/31/53/330273153.db2.gz SGEZZASGDHDJPL-OAQYLSRUSA-N 1 3 372.557 2.451 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000155595003 545546640 /nfs/dbraw/zinc/54/66/40/545546640.db2.gz KGOMKSXMGXFHFG-CZUORRHYSA-N 1 3 370.900 2.470 20 0 FEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000477631189 561149808 /nfs/dbraw/zinc/14/98/08/561149808.db2.gz BIIGUDSJLRDVIA-VQTJNVASSA-N 1 3 361.530 2.426 20 0 FEADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000480671935 561214073 /nfs/dbraw/zinc/21/40/73/561214073.db2.gz CLGQWKTXTOAPGT-GHTZIAJQSA-N 1 3 370.541 2.067 20 0 FEADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000480671935 561214074 /nfs/dbraw/zinc/21/40/74/561214074.db2.gz CLGQWKTXTOAPGT-GHTZIAJQSA-N 1 3 370.541 2.067 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000177193345 546567318 /nfs/dbraw/zinc/56/73/18/546567318.db2.gz RBFVPSVCCAJNIO-RBUKOAKNSA-N 1 3 370.541 2.330 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000177193345 546567324 /nfs/dbraw/zinc/56/73/24/546567324.db2.gz RBFVPSVCCAJNIO-RBUKOAKNSA-N 1 3 370.541 2.330 20 0 FEADHO C[C@@H](NCc1cccnc1-n1cncn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178048329 546730225 /nfs/dbraw/zinc/73/02/25/546730225.db2.gz FOMNBHUQPQRXLF-MRXNPFEDSA-N 1 3 366.469 2.454 20 0 FEADHO CCN1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000481181057 561227344 /nfs/dbraw/zinc/22/73/44/561227344.db2.gz YNNDZXQXYIAQLM-DYXWJJEUSA-N 1 3 372.557 2.039 20 0 FEADHO CCN1CCN(C(=O)[C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000481181057 561227345 /nfs/dbraw/zinc/22/73/45/561227345.db2.gz YNNDZXQXYIAQLM-DYXWJJEUSA-N 1 3 372.557 2.039 20 0 FEADHO CCN1CCN(C(=O)[C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000481181057 561227346 /nfs/dbraw/zinc/22/73/46/561227346.db2.gz YNNDZXQXYIAQLM-DYXWJJEUSA-N 1 3 372.557 2.039 20 0 FEADHO COC1(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CC[NH2+]CC1 ZINC000178816478 546855024 /nfs/dbraw/zinc/85/50/24/546855024.db2.gz WBDSDZMIOUFSHT-GOEBONIOSA-N 1 3 351.516 2.016 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cccc3nccn32)CC1 ZINC000179835859 547018765 /nfs/dbraw/zinc/01/87/65/547018765.db2.gz GFNANDFIJDESPU-UHFFFAOYSA-N 1 3 371.529 2.250 20 0 FEADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180951811 547218796 /nfs/dbraw/zinc/21/87/96/547218796.db2.gz PMIDITZELQECNN-FGTMMUONSA-N 1 3 352.567 2.122 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000483207711 561270614 /nfs/dbraw/zinc/27/06/14/561270614.db2.gz GKYJXPPUVVAGQT-ZVDOUQERSA-N 1 3 367.578 2.214 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C(F)(F)F ZINC000483666489 561281445 /nfs/dbraw/zinc/28/14/45/561281445.db2.gz YIRFFVSRBHQUOT-UONOGXRCSA-N 1 3 352.445 2.242 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C(F)(F)F ZINC000483666489 561281446 /nfs/dbraw/zinc/28/14/46/561281446.db2.gz YIRFFVSRBHQUOT-UONOGXRCSA-N 1 3 352.445 2.242 20 0 FEADHO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182956218 547578839 /nfs/dbraw/zinc/57/88/39/547578839.db2.gz IAPNDMLQXBGVQB-RBUKOAKNSA-N 1 3 372.557 2.312 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000183544845 547678354 /nfs/dbraw/zinc/67/83/54/547678354.db2.gz GAPGVLSANFCRMJ-SZMVWBNQSA-N 1 3 367.534 2.029 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000183544845 547678360 /nfs/dbraw/zinc/67/83/60/547678360.db2.gz GAPGVLSANFCRMJ-SZMVWBNQSA-N 1 3 367.534 2.029 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NCC3CC[NH+](C)CC3)c2)CC1 ZINC000184929453 547902494 /nfs/dbraw/zinc/90/24/94/547902494.db2.gz JTHCSYHMIXKERI-UHFFFAOYSA-N 1 3 359.518 2.292 20 0 FEADHO CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)C1CCN(Cc2ccccc2)CC1 ZINC000485812411 561328802 /nfs/dbraw/zinc/32/88/02/561328802.db2.gz DDZNZZAPRLJSIF-QGZVFWFLSA-N 1 3 367.497 2.223 20 0 FEADHO COc1ccc([C@H](CNC(=O)[C@H]([NH3+])CCSC)N2CCCC2)cc1 ZINC000195127992 548580844 /nfs/dbraw/zinc/58/08/44/548580844.db2.gz BAVMVQJZDZWYIS-SJORKVTESA-N 1 3 351.516 2.029 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N(Cc3ccccn3)C3CC3)CC2)CC1 ZINC000195342621 548628203 /nfs/dbraw/zinc/62/82/03/548628203.db2.gz XUVQYIAZAZVMFN-UHFFFAOYSA-N 1 3 371.529 2.314 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)C1CC[NH+](C2CC2)CC1 ZINC000195351521 548630088 /nfs/dbraw/zinc/63/00/88/548630088.db2.gz OKTAKZVUYFDAND-UHFFFAOYSA-N 1 3 351.560 2.339 20 0 FEADHO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H](N)c3ccccc3)cc2)CC1 ZINC000236960108 548792007 /nfs/dbraw/zinc/79/20/07/548792007.db2.gz KKRWGSWOAHAICW-OAQYLSRUSA-N 1 3 366.509 2.140 20 0 FEADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]2CSCCN2)CC1 ZINC000237192334 548806716 /nfs/dbraw/zinc/80/67/16/548806716.db2.gz YWZLIEJDBYPYHA-IBGZPJMESA-N 1 3 361.555 2.452 20 0 FEADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]2CSCCN2)CC1 ZINC000237192334 548806721 /nfs/dbraw/zinc/80/67/21/548806721.db2.gz YWZLIEJDBYPYHA-IBGZPJMESA-N 1 3 361.555 2.452 20 0 FEADHO C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N1CCN(C)CC1 ZINC000245664255 548968850 /nfs/dbraw/zinc/96/88/50/548968850.db2.gz GIGYEQBIPMUAPZ-PSWRPDDJSA-N 1 3 356.558 2.408 20 0 FEADHO C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCN(C)CC1 ZINC000245664255 548968852 /nfs/dbraw/zinc/96/88/52/548968852.db2.gz GIGYEQBIPMUAPZ-PSWRPDDJSA-N 1 3 356.558 2.408 20 0 FEADHO C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCN(C)CC1 ZINC000245664255 548968856 /nfs/dbraw/zinc/96/88/56/548968856.db2.gz GIGYEQBIPMUAPZ-PSWRPDDJSA-N 1 3 356.558 2.408 20 0 FEADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000246113627 549055508 /nfs/dbraw/zinc/05/55/08/549055508.db2.gz HYBVLKBUQZNQGK-WOJBJXKFSA-N 1 3 354.498 2.307 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246394931 549124510 /nfs/dbraw/zinc/12/45/10/549124510.db2.gz OYQXKBWDGDLEIH-HCXYKTFWSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246394931 549124514 /nfs/dbraw/zinc/12/45/14/549124514.db2.gz OYQXKBWDGDLEIH-HCXYKTFWSA-N 1 3 366.550 2.002 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C[C@H](C)O)CC1 ZINC000246795331 549214599 /nfs/dbraw/zinc/21/45/99/549214599.db2.gz SLYMUJJGFLDYEV-GHTZIAJQSA-N 1 3 373.541 2.311 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000246843048 549225987 /nfs/dbraw/zinc/22/59/87/549225987.db2.gz YSBIRBQNWLHRTO-UYAOXDASSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000246843048 549225991 /nfs/dbraw/zinc/22/59/91/549225991.db2.gz YSBIRBQNWLHRTO-UYAOXDASSA-N 1 3 356.514 2.435 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000248906212 549525412 /nfs/dbraw/zinc/52/54/12/549525412.db2.gz UWEMUBSIDOLNGB-IHPCNDPISA-N 1 3 358.530 2.490 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000248906212 549525416 /nfs/dbraw/zinc/52/54/16/549525416.db2.gz UWEMUBSIDOLNGB-IHPCNDPISA-N 1 3 358.530 2.490 20 0 FEADHO COc1cc(CN2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc(OC)c1 ZINC000248997826 549537868 /nfs/dbraw/zinc/53/78/68/549537868.db2.gz PMDKVMNFLSFCGZ-QBUWPKIASA-N 1 3 359.514 2.493 20 0 FEADHO COc1cc(CN2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc(OC)c1 ZINC000248997826 549537873 /nfs/dbraw/zinc/53/78/73/549537873.db2.gz PMDKVMNFLSFCGZ-QBUWPKIASA-N 1 3 359.514 2.493 20 0 FEADHO C[C@H](O)C[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CCCCC1 ZINC000249359010 549583409 /nfs/dbraw/zinc/58/34/09/549583409.db2.gz SCPUUJCFPHVTAH-FXAWDEMLSA-N 1 3 361.530 2.421 20 0 FEADHO C[C@H](O)C[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CCCCC1 ZINC000249359010 549583412 /nfs/dbraw/zinc/58/34/12/549583412.db2.gz SCPUUJCFPHVTAH-FXAWDEMLSA-N 1 3 361.530 2.421 20 0 FEADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnc(N)s1 ZINC000262078277 549787273 /nfs/dbraw/zinc/78/72/73/549787273.db2.gz SUOMHRQNZNOFMK-UHFFFAOYSA-N 1 3 351.564 2.353 20 0 FEADHO [NH3+][C@H]1CCC[C@@H](C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000262274720 549805030 /nfs/dbraw/zinc/80/50/30/549805030.db2.gz JDNFKALAILMUER-MOPGFXCFSA-N 1 3 358.530 2.223 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1)[C@H]1CCCN(C)C1 ZINC000262273898 549805108 /nfs/dbraw/zinc/80/51/08/549805108.db2.gz JCERUOKMDVZNIM-AOIWGVFYSA-N 1 3 372.513 2.309 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263195690 549885283 /nfs/dbraw/zinc/88/52/83/549885283.db2.gz IJWRJBPMUAXPAF-UNMCSNQZSA-N 1 3 372.557 2.348 20 0 FEADHO C[NH+](C)CCOc1ccc(CCNC(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000264123571 549981806 /nfs/dbraw/zinc/98/18/06/549981806.db2.gz OIKOZRQKCRMVRK-UHFFFAOYSA-N 1 3 374.529 2.096 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000268822272 550120079 /nfs/dbraw/zinc/12/00/79/550120079.db2.gz OLZVLZIXKRBQNC-IBGZPJMESA-N 1 3 360.546 2.201 20 0 FEADHO C[NH2+][C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000269131657 550158857 /nfs/dbraw/zinc/15/88/57/550158857.db2.gz OZJYLALCPGTQIR-NVXWUHKLSA-N 1 3 355.404 2.261 20 0 FEADHO CC(C)N(CCN(C)C)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000269650243 550213535 /nfs/dbraw/zinc/21/35/35/550213535.db2.gz IFBVJMDKZVYNBU-UHFFFAOYSA-N 1 3 350.507 2.109 20 0 FEADHO C[C@]1(CO)CCC[C@H]1NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000493391776 561455906 /nfs/dbraw/zinc/45/59/06/561455906.db2.gz WTONWNJMHHFXGK-TZIWHRDSSA-N 1 3 359.514 2.039 20 0 FEADHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N1CCOCC1 ZINC000272680429 550464696 /nfs/dbraw/zinc/46/46/96/550464696.db2.gz SCHCYCHJDUYOLE-SXLOBPIMSA-N 1 3 359.514 2.124 20 0 FEADHO C[C@@H](NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C1=CCN(C)CC1 ZINC000272722738 550466921 /nfs/dbraw/zinc/46/69/21/550466921.db2.gz JGKKOEWJDQBKQW-MRXNPFEDSA-N 1 3 356.514 2.035 20 0 FEADHO O=C(NC[C@H]1CC[NH2+]C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000273065312 550483408 /nfs/dbraw/zinc/48/34/08/550483408.db2.gz UFRYIUBOIIWFGB-RDJZCZTQSA-N 1 3 355.404 2.167 20 0 FEADHO CC(C)[C@H](C(=O)NCc1ccncc1OCC[NH+](C)C)N1CCCCC1 ZINC000494756885 561475967 /nfs/dbraw/zinc/47/59/67/561475967.db2.gz JRLZWQUWFYJYAH-LJQANCHMSA-N 1 3 362.518 2.149 20 0 FEADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000277025640 550623416 /nfs/dbraw/zinc/62/34/16/550623416.db2.gz ATOXOIPHFHKNLW-IBGZPJMESA-N 1 3 374.529 2.268 20 0 FEADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000277025640 550623418 /nfs/dbraw/zinc/62/34/18/550623418.db2.gz ATOXOIPHFHKNLW-IBGZPJMESA-N 1 3 374.529 2.268 20 0 FEADHO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCN1C1CC1 ZINC000278453841 550788072 /nfs/dbraw/zinc/78/80/72/550788072.db2.gz NPHOTAFNIXXIGX-NRFANRHFSA-N 1 3 370.541 2.332 20 0 FEADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279094927 550853312 /nfs/dbraw/zinc/85/33/12/550853312.db2.gz WRDHTXDTBNQSAD-VQIMIIECSA-N 1 3 353.470 2.054 20 0 FEADHO CCN1CCN(Cc2ccc(NC(=O)c3csc(CC[NH3+])n3)cc2)CC1 ZINC000279866279 550937451 /nfs/dbraw/zinc/93/74/51/550937451.db2.gz CKAOJQYDPMRZMT-UHFFFAOYSA-N 1 3 373.526 2.034 20 0 FEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000496446573 561493952 /nfs/dbraw/zinc/49/39/52/561493952.db2.gz JBPDHYVQNIOEOS-OAQYLSRUSA-N 1 3 374.573 2.429 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NC3(C[NH+](C)C)CCC3)c2)CC1 ZINC000281936842 551159743 /nfs/dbraw/zinc/15/97/43/551159743.db2.gz LAFUGSFECCXMIA-UHFFFAOYSA-N 1 3 359.518 2.434 20 0 FEADHO COc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1NC(C)=O ZINC000282394981 551222528 /nfs/dbraw/zinc/22/25/28/551222528.db2.gz RHPRBSRJVFWGNH-OAHLLOKOSA-N 1 3 362.518 2.330 20 0 FEADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000282421893 551226605 /nfs/dbraw/zinc/22/66/05/551226605.db2.gz STCAFQLXHVMBCS-CTNGQTDRSA-N 1 3 374.573 2.064 20 0 FEADHO CCN1CCN(CCC[NH2+]Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000282624228 551253265 /nfs/dbraw/zinc/25/32/65/551253265.db2.gz JTRNDFDKXWTSSF-UHFFFAOYSA-N 1 3 356.518 2.001 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000282771865 551268722 /nfs/dbraw/zinc/26/87/22/551268722.db2.gz WXCIFSGQCBYCEF-KRWDZBQOSA-N 1 3 370.545 2.247 20 0 FEADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000284142166 551491417 /nfs/dbraw/zinc/49/14/17/551491417.db2.gz OUBSJUJHUBFHDX-PKOBYXMFSA-N 1 3 368.543 2.115 20 0 FEADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccco1 ZINC000498592586 561529818 /nfs/dbraw/zinc/52/98/18/561529818.db2.gz LSVOEPWJLZGLQO-DAYGRLMNSA-N 1 3 368.547 2.445 20 0 FEADHO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCN(C)CC[C@@H]3C)cc2)CC1 ZINC000498711969 561532430 /nfs/dbraw/zinc/53/24/30/561532430.db2.gz WADABZZPUSDWTA-SFHVURJKSA-N 1 3 358.530 2.383 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000285595328 551780149 /nfs/dbraw/zinc/78/01/49/551780149.db2.gz JLJYCSDWKFAXLH-SFHVURJKSA-N 1 3 356.518 2.336 20 0 FEADHO C[C@@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(=O)[nH]n1 ZINC000285944259 551830483 /nfs/dbraw/zinc/83/04/83/551830483.db2.gz DPLAWAMPAJRWFB-MRXNPFEDSA-N 1 3 356.470 2.138 20 0 FEADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286373630 551880039 /nfs/dbraw/zinc/88/00/39/551880039.db2.gz ZSXQAMBOJCDKKO-CABCVRRESA-N 1 3 359.470 2.169 20 0 FEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000287913334 552062150 /nfs/dbraw/zinc/06/21/50/552062150.db2.gz VPQCZOYESVQTHH-LJQANCHMSA-N 1 3 353.938 2.201 20 0 FEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000287913334 552062151 /nfs/dbraw/zinc/06/21/51/552062151.db2.gz VPQCZOYESVQTHH-LJQANCHMSA-N 1 3 353.938 2.201 20 0 FEADHO [NH3+]C1CCN(CCCC(=O)N2CCNC[C@@H]2c2ccccc2Cl)CC1 ZINC000499580744 561553887 /nfs/dbraw/zinc/55/38/87/561553887.db2.gz CJQSUNHMXIPRFK-GOSISDBHSA-N 1 3 364.921 2.016 20 0 FEADHO CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)c2C1 ZINC000288198085 552109057 /nfs/dbraw/zinc/10/90/57/552109057.db2.gz PHDWOLGXOCOZLN-LSDHHAIUSA-N 1 3 360.502 2.052 20 0 FEADHO C[NH+](C)CCCCNCc1cn(-c2ccccc2Br)nn1 ZINC000289770998 552375979 /nfs/dbraw/zinc/37/59/79/552375979.db2.gz GKLBPOZGOPVYJT-UHFFFAOYSA-N 1 3 352.280 2.461 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCN1Cc1ccccc1 ZINC000291823483 552665346 /nfs/dbraw/zinc/66/53/46/552665346.db2.gz FIAWYNHIHDNEJI-YFVAEKQCSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CCN1Cc1ccccc1 ZINC000291823483 552665347 /nfs/dbraw/zinc/66/53/47/552665347.db2.gz FIAWYNHIHDNEJI-YFVAEKQCSA-N 1 3 356.514 2.387 20 0 FEADHO CC[C@H](C(=O)NCc1ccncc1OCCC[NH+](C)C)N(CC)CC ZINC000293422297 552821908 /nfs/dbraw/zinc/82/19/08/552821908.db2.gz NVKQZJXNHBRXJR-QGZVFWFLSA-N 1 3 350.507 2.149 20 0 FEADHO CC[NH+]1CCN(CCC(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000501617812 561602231 /nfs/dbraw/zinc/60/22/31/561602231.db2.gz IGWAERVJGBWLSH-PMACEKPBSA-N 1 3 372.557 2.135 20 0 FEADHO CCC[NH2+][C@@H](C)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000294695532 552927335 /nfs/dbraw/zinc/92/73/35/552927335.db2.gz AMFOIZYKLJPZBP-HNNXBMFYSA-N 1 3 351.466 2.173 20 0 FEADHO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)CO2 ZINC000296244200 553128729 /nfs/dbraw/zinc/12/87/29/553128729.db2.gz AYQJQZRNQNWSOE-VQTJNVASSA-N 1 3 368.477 2.355 20 0 FEADHO CCC[NH2+][C@@H](C)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000296571897 553181464 /nfs/dbraw/zinc/18/14/64/553181464.db2.gz WCRDZGSZMALPIX-IBGZPJMESA-N 1 3 360.546 2.089 20 0 FEADHO CCO[C@H]1C[C@@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)C12CCCCC2 ZINC000502845601 561627468 /nfs/dbraw/zinc/62/74/68/561627468.db2.gz WFQYOXFIBIGIJZ-MOPGFXCFSA-N 1 3 363.546 2.447 20 0 FEADHO CC(C)[NH+]1CCC(O)(CNCc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000297590179 553312772 /nfs/dbraw/zinc/31/27/72/553312772.db2.gz JDUMGULHJPLOPY-GOSISDBHSA-N 1 3 361.530 2.237 20 0 FEADHO CC(C)[NH+]1CCC(N(C)CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000298159297 553392147 /nfs/dbraw/zinc/39/21/47/553392147.db2.gz GQJFBKKIDAUMEM-UHFFFAOYSA-N 1 3 360.502 2.207 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299450619 553565197 /nfs/dbraw/zinc/56/51/97/553565197.db2.gz UGXAFAGQAACYHO-ROUUACIJSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299450619 553565199 /nfs/dbraw/zinc/56/51/99/553565199.db2.gz UGXAFAGQAACYHO-ROUUACIJSA-N 1 3 360.502 2.053 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)n1nc(C)cc1C ZINC000505822609 561681865 /nfs/dbraw/zinc/68/18/65/561681865.db2.gz AWQCDDQEIKFYHD-MOPGFXCFSA-N 1 3 363.550 2.326 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)n1nc(C)cc1C ZINC000505822609 561681867 /nfs/dbraw/zinc/68/18/67/561681867.db2.gz AWQCDDQEIKFYHD-MOPGFXCFSA-N 1 3 363.550 2.326 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000332541694 554467544 /nfs/dbraw/zinc/46/75/44/554467544.db2.gz XHTIJDHCWZVWDP-UKBAYJJMSA-N 1 3 366.550 2.035 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)c(C)c2)CC1 ZINC000333126011 554576238 /nfs/dbraw/zinc/57/62/38/554576238.db2.gz IXSBXVNLMHIHPK-QZTJIDSGSA-N 1 3 371.529 2.210 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)c(C)c2)CC1 ZINC000333145242 554579321 /nfs/dbraw/zinc/57/93/21/554579321.db2.gz LQVYWBFOZMAOHW-YTQUADARSA-N 1 3 371.529 2.338 20 0 FEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333161594 554581905 /nfs/dbraw/zinc/58/19/05/554581905.db2.gz GMXFAGWZHHPYDJ-QRVBRYPASA-N 1 3 366.550 2.179 20 0 FEADHO CC1(CNC(=O)NCC2(N3CCSCC3)CCCCC2)CC[NH2+]CC1 ZINC000333163281 554582278 /nfs/dbraw/zinc/58/22/78/554582278.db2.gz GUTFKGNCEDXKKP-UHFFFAOYSA-N 1 3 368.591 2.427 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)c(C)c2)CC1 ZINC000333167272 554582555 /nfs/dbraw/zinc/58/25/55/554582555.db2.gz PAARUXJAOTVHAZ-WMZOPIPTSA-N 1 3 359.518 2.338 20 0 FEADHO CCc1nc2c(s1)[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000333252223 554594580 /nfs/dbraw/zinc/59/45/80/554594580.db2.gz HAMFDSKGZYZAGA-GLJUWKHASA-N 1 3 362.543 2.319 20 0 FEADHO CCc1nc2c(s1)[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000333252224 554594628 /nfs/dbraw/zinc/59/46/28/554594628.db2.gz HAMFDSKGZYZAGA-LBTNJELSSA-N 1 3 362.543 2.319 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c2)CC1 ZINC000333342310 554604429 /nfs/dbraw/zinc/60/44/29/554604429.db2.gz PXNQDZCPOGMVEX-FFZOFVMBSA-N 1 3 371.529 2.420 20 0 FEADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000333437430 554613285 /nfs/dbraw/zinc/61/32/85/554613285.db2.gz VOKDDYRAJBCINV-JKSUJKDBSA-N 1 3 354.564 2.165 20 0 FEADHO C[C@@H](NC(=O)NCC1(N2CCSCC2)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000333461967 554615297 /nfs/dbraw/zinc/61/52/97/554615297.db2.gz ZGRNXWKULCTCMI-IAGOWNOFSA-N 1 3 368.591 2.425 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCC3CCN(c4ccncc4)CC3)C[C@@H]21 ZINC000333571730 554624669 /nfs/dbraw/zinc/62/46/69/554624669.db2.gz MNAMEHRBHMCTIS-YTQUADARSA-N 1 3 357.502 2.067 20 0 FEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333760290 554639946 /nfs/dbraw/zinc/63/99/46/554639946.db2.gz CMYKKDFLMUOANW-AYOQOUSVSA-N 1 3 351.535 2.384 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000333805258 554645086 /nfs/dbraw/zinc/64/50/86/554645086.db2.gz ILXFRULMHBHDKP-VXIBKDFQSA-N 1 3 366.550 2.048 20 0 FEADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333817065 554646219 /nfs/dbraw/zinc/64/62/19/554646219.db2.gz QNOGNVMSBJDLEN-UKBAYJJMSA-N 1 3 366.550 2.035 20 0 FEADHO CC(C)(CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)N1CCc2ccccc2C1 ZINC000333946132 554659524 /nfs/dbraw/zinc/65/95/24/554659524.db2.gz UHWWGIHUWMUYSR-GBESFXJTSA-N 1 3 356.514 2.202 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)[C@@H](C)C1 ZINC000510985784 561853202 /nfs/dbraw/zinc/85/32/02/561853202.db2.gz SKVTVKFNNGYDSE-RDJZCZTQSA-N 1 3 361.486 2.244 20 0 FEADHO CCN1CCN(CCC(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000360237440 554868171 /nfs/dbraw/zinc/86/81/71/554868171.db2.gz KGVIIZXFVJGXTQ-UHFFFAOYSA-N 1 3 364.578 2.173 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C[N@@H+]1C1CC1 ZINC000361667087 554928110 /nfs/dbraw/zinc/92/81/10/554928110.db2.gz MNRFTKFUEIGMGA-NEWSRXKRSA-N 1 3 371.529 2.218 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C[N@H+]1C1CC1 ZINC000361667087 554928113 /nfs/dbraw/zinc/92/81/13/554928113.db2.gz MNRFTKFUEIGMGA-NEWSRXKRSA-N 1 3 371.529 2.218 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000363081381 555026096 /nfs/dbraw/zinc/02/60/96/555026096.db2.gz PZCXFWYFMGICOJ-PZJWPPBQSA-N 1 3 370.541 2.250 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000363081381 555026097 /nfs/dbraw/zinc/02/60/97/555026097.db2.gz PZCXFWYFMGICOJ-PZJWPPBQSA-N 1 3 370.541 2.250 20 0 FEADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000363146239 555039726 /nfs/dbraw/zinc/03/97/26/555039726.db2.gz YBACEXMAGMFYBQ-WOJBJXKFSA-N 1 3 366.594 2.373 20 0 FEADHO C[N@H+](C[C@@H](O)COc1ccc(F)cc1)C1CCN(C2CCOCC2)CC1 ZINC000363452558 555109342 /nfs/dbraw/zinc/10/93/42/555109342.db2.gz JDPDAVGVWKPIBY-LJQANCHMSA-N 1 3 366.477 2.141 20 0 FEADHO C[N@@H+](C[C@@H](O)COc1ccc(F)cc1)C1CCN(C2CCOCC2)CC1 ZINC000363452558 555109343 /nfs/dbraw/zinc/10/93/43/555109343.db2.gz JDPDAVGVWKPIBY-LJQANCHMSA-N 1 3 366.477 2.141 20 0 FEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000363520090 555126285 /nfs/dbraw/zinc/12/62/85/555126285.db2.gz CVRICDOJTOCBHC-UYAOXDASSA-N 1 3 373.545 2.467 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCCN1CCCC[C@@H]1C ZINC000363678597 555161898 /nfs/dbraw/zinc/16/18/98/555161898.db2.gz LZSGBECWIFIJSQ-XWSJACJDSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCCN1CCCC[C@@H]1C ZINC000363678597 555161899 /nfs/dbraw/zinc/16/18/99/555161899.db2.gz LZSGBECWIFIJSQ-XWSJACJDSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@H](N[C@@H]1CCN(c2ccn(C)n2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364346846 555295817 /nfs/dbraw/zinc/29/58/17/555295817.db2.gz JOOCGQURAGLGRE-YSIASYRMSA-N 1 3 353.514 2.499 20 0 FEADHO C[C@H](N[C@@H]1CCN(c2ccn(C)n2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364346846 555295818 /nfs/dbraw/zinc/29/58/18/555295818.db2.gz JOOCGQURAGLGRE-YSIASYRMSA-N 1 3 353.514 2.499 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000512329807 561900730 /nfs/dbraw/zinc/90/07/30/561900730.db2.gz BIRDGQHSHCBGDR-GOSISDBHSA-N 1 3 362.518 2.262 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000512329807 561900731 /nfs/dbraw/zinc/90/07/31/561900731.db2.gz BIRDGQHSHCBGDR-GOSISDBHSA-N 1 3 362.518 2.262 20 0 FEADHO O=C(C[C@H]1CCC[NH2+]CC1)NCc1ccccc1CN1CCC(O)CC1 ZINC000364466772 555319137 /nfs/dbraw/zinc/31/91/37/555319137.db2.gz MMPHOYZLVFEJTR-KRWDZBQOSA-N 1 3 359.514 2.039 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000364722159 555385418 /nfs/dbraw/zinc/38/54/18/555385418.db2.gz DCHKMHZBJBCLLM-YPLULLRNSA-N 1 3 351.535 2.003 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000364722159 555385421 /nfs/dbraw/zinc/38/54/21/555385421.db2.gz DCHKMHZBJBCLLM-YPLULLRNSA-N 1 3 351.535 2.003 20 0 FEADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000364732692 555388415 /nfs/dbraw/zinc/38/84/15/555388415.db2.gz GUXXNIPUDSFFJV-SQNIBIBYSA-N 1 3 366.550 2.002 20 0 FEADHO CC1CCN(C[C@@H](O)C[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000513077567 561924456 /nfs/dbraw/zinc/92/44/56/561924456.db2.gz RHBIYHZUHOERTB-INIZCTEOSA-N 1 3 351.457 2.086 20 0 FEADHO CC1CC[NH+](C[C@@H](O)CNC2CCN(CCC(F)(F)F)CC2)CC1 ZINC000513077567 561924457 /nfs/dbraw/zinc/92/44/57/561924457.db2.gz RHBIYHZUHOERTB-INIZCTEOSA-N 1 3 351.457 2.086 20 0 FEADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000365878635 555690823 /nfs/dbraw/zinc/69/08/23/555690823.db2.gz BZLZTLUSWPNLHH-YVWKXTFCSA-N 1 3 359.514 2.367 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000365878635 555690824 /nfs/dbraw/zinc/69/08/24/555690824.db2.gz BZLZTLUSWPNLHH-YVWKXTFCSA-N 1 3 359.514 2.367 20 0 FEADHO CCC[C@](C)(N)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366323030 555811662 /nfs/dbraw/zinc/81/16/62/555811662.db2.gz LJRRKIFOCBAFTQ-FQEVSTJZSA-N 1 3 352.567 2.159 20 0 FEADHO CC[C@H](C)[C@H](N)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366328753 555813451 /nfs/dbraw/zinc/81/34/51/555813451.db2.gz VWHRYOZONJOQEE-LPHOPBHVSA-N 1 3 352.567 2.015 20 0 FEADHO COCCN1CC[C@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000366635452 555895860 /nfs/dbraw/zinc/89/58/60/555895860.db2.gz LWBJYBHTKYJPGG-XBMUEBEBSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N1CCC[C@@H](C)C1 ZINC000366821089 555943529 /nfs/dbraw/zinc/94/35/29/555943529.db2.gz BGICORJLYTWZRV-LMMKCTJWSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H](c1cn(-c2ccccc2)nn1)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367673849 556111027 /nfs/dbraw/zinc/11/10/27/556111027.db2.gz SKKBOMUWZAUBOC-YLJYHZDGSA-N 1 3 368.529 2.429 20 0 FEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CCC4(CC3)NC(=O)NC4=O)CC2)C1 ZINC000367689366 556115274 /nfs/dbraw/zinc/11/52/74/556115274.db2.gz UXAGTTCKHKJBAQ-MVBZYYNJSA-N 1 3 362.518 2.140 20 0 FEADHO C[N@H+](C[C@H](O)COCC(F)(F)F)CC1CCN(c2ccncc2)CC1 ZINC000368390561 556294932 /nfs/dbraw/zinc/29/49/32/556294932.db2.gz BBNCRLIVYJCSDU-INIZCTEOSA-N 1 3 361.408 2.170 20 0 FEADHO C[N@@H+](C[C@H](O)COCC(F)(F)F)CC1CCN(c2ccncc2)CC1 ZINC000368390561 556294934 /nfs/dbraw/zinc/29/49/34/556294934.db2.gz BBNCRLIVYJCSDU-INIZCTEOSA-N 1 3 361.408 2.170 20 0 FEADHO COCCOCc1ccc(C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000368554620 556344163 /nfs/dbraw/zinc/34/41/63/556344163.db2.gz CWBZELPVAMFJFD-HXUWFJFHSA-N 1 3 361.530 2.108 20 0 FEADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)N3CCOCC3)C2)s1 ZINC000515851291 562023879 /nfs/dbraw/zinc/02/38/79/562023879.db2.gz BOWAGIAVJAZLII-QGZVFWFLSA-N 1 3 365.543 2.059 20 0 FEADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)N3CCOCC3)C2)s1 ZINC000515851291 562023880 /nfs/dbraw/zinc/02/38/80/562023880.db2.gz BOWAGIAVJAZLII-QGZVFWFLSA-N 1 3 365.543 2.059 20 0 FEADHO CC(C)CN1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000369195867 556532232 /nfs/dbraw/zinc/53/22/32/556532232.db2.gz KFFROHNFMXTZPT-FQEVSTJZSA-N 1 3 373.545 2.277 20 0 FEADHO CC(C)CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000369195867 556532235 /nfs/dbraw/zinc/53/22/35/556532235.db2.gz KFFROHNFMXTZPT-FQEVSTJZSA-N 1 3 373.545 2.277 20 0 FEADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369219382 556539463 /nfs/dbraw/zinc/53/94/63/556539463.db2.gz DMLFSTMWVMELPB-UYAOXDASSA-N 1 3 373.545 2.325 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369219382 556539464 /nfs/dbraw/zinc/53/94/64/556539464.db2.gz DMLFSTMWVMELPB-UYAOXDASSA-N 1 3 373.545 2.325 20 0 FEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369393081 556589186 /nfs/dbraw/zinc/58/91/86/556589186.db2.gz CADPVUPLRDAJTR-ZSYWTGECSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369393081 556589188 /nfs/dbraw/zinc/58/91/88/556589188.db2.gz CADPVUPLRDAJTR-ZSYWTGECSA-N 1 3 366.550 2.049 20 0 FEADHO CN(C)CCN(C(=O)c1cnn(CC[NH+]2CCCCC2)c1)C1CCCC1 ZINC000369592345 556641213 /nfs/dbraw/zinc/64/12/13/556641213.db2.gz PMGUOUWVXOVVKA-UHFFFAOYSA-N 1 3 361.534 2.315 20 0 FEADHO C[C@H](O)COC(=O)CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000369715695 556676114 /nfs/dbraw/zinc/67/61/14/556676114.db2.gz VWMKRVOSNOAANX-SFHVURJKSA-N 1 3 360.498 2.289 20 0 FEADHO C[C@H](O)COC(=O)CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000369715695 556676116 /nfs/dbraw/zinc/67/61/16/556676116.db2.gz VWMKRVOSNOAANX-SFHVURJKSA-N 1 3 360.498 2.289 20 0 FEADHO C[C@@H](O)COC(=O)CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000369715694 556676230 /nfs/dbraw/zinc/67/62/30/556676230.db2.gz VWMKRVOSNOAANX-GOSISDBHSA-N 1 3 360.498 2.289 20 0 FEADHO C[C@@H](O)COC(=O)CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000369715694 556676232 /nfs/dbraw/zinc/67/62/32/556676232.db2.gz VWMKRVOSNOAANX-GOSISDBHSA-N 1 3 360.498 2.289 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000369743567 556683339 /nfs/dbraw/zinc/68/33/39/556683339.db2.gz MKYBPSHDXBYZMD-HXUWFJFHSA-N 1 3 373.545 2.214 20 0 FEADHO Cc1noc(C)c1C(C)(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000369877835 556719474 /nfs/dbraw/zinc/71/94/74/556719474.db2.gz MAHOEAQRZYXNJO-UHFFFAOYSA-N 1 3 362.518 2.244 20 0 FEADHO C[C@H]1CN(Cc2ccc(-n3cccn3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370149536 556794770 /nfs/dbraw/zinc/79/47/70/556794770.db2.gz ORXPLETUGYQKNO-GHTZIAJQSA-N 1 3 353.514 2.330 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CNCCC1(F)F ZINC000516634544 562051936 /nfs/dbraw/zinc/05/19/36/562051936.db2.gz NMZUEBQEPZFUDR-PVAVHDDUSA-N 1 3 366.456 2.193 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CNCCC1(F)F ZINC000516634544 562051937 /nfs/dbraw/zinc/05/19/37/562051937.db2.gz NMZUEBQEPZFUDR-PVAVHDDUSA-N 1 3 366.456 2.193 20 0 FEADHO O=C(NC1CCN(CCc2ccncc2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000370524708 556899669 /nfs/dbraw/zinc/89/96/69/556899669.db2.gz BCEARRGTHRWDPI-UHFFFAOYSA-N 1 3 356.514 2.079 20 0 FEADHO Cc1c(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000371264171 557124332 /nfs/dbraw/zinc/12/43/32/557124332.db2.gz IYDPZBBNCWYSMC-MRXNPFEDSA-N 1 3 374.533 2.038 20 0 FEADHO CC(C)[C@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCCCC1 ZINC000371687631 557263074 /nfs/dbraw/zinc/26/30/74/557263074.db2.gz YCHOHNQXNXSHII-IEBWSBKVSA-N 1 3 351.535 2.114 20 0 FEADHO Cc1ccccc1NC(=O)CCN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000371692522 557265439 /nfs/dbraw/zinc/26/54/39/557265439.db2.gz KHJYQUUWXTUXEJ-GOSISDBHSA-N 1 3 358.530 2.424 20 0 FEADHO Cc1ccccc1NC(=O)CCN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000371692522 557265446 /nfs/dbraw/zinc/26/54/46/557265446.db2.gz KHJYQUUWXTUXEJ-GOSISDBHSA-N 1 3 358.530 2.424 20 0 FEADHO Cc1ccccc1NC(=O)CCN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371692522 557265449 /nfs/dbraw/zinc/26/54/49/557265449.db2.gz KHJYQUUWXTUXEJ-GOSISDBHSA-N 1 3 358.530 2.424 20 0 FEADHO CCN(C[C@@H]1CCCO1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000518560013 562114270 /nfs/dbraw/zinc/11/42/70/562114270.db2.gz OHSWNJPPPHMUPQ-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO Fc1ccc(-n2ccc(CCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000518959728 562121894 /nfs/dbraw/zinc/12/18/94/562121894.db2.gz IWKSHYICNLEFKW-SLFFLAALSA-N 1 3 358.461 2.301 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000372387033 557456718 /nfs/dbraw/zinc/45/67/18/557456718.db2.gz NONFNXUNCVCDIM-WDSOQIARSA-N 1 3 359.518 2.106 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000372387033 557456721 /nfs/dbraw/zinc/45/67/21/557456721.db2.gz NONFNXUNCVCDIM-WDSOQIARSA-N 1 3 359.518 2.106 20 0 FEADHO CN1CCC2(CC1)C[C@H]([NH2+]CCCN1CCOC1=O)c1ccccc1O2 ZINC000372585390 557512627 /nfs/dbraw/zinc/51/26/27/557512627.db2.gz QRVVHRGCSIPRLX-KRWDZBQOSA-N 1 3 359.470 2.407 20 0 FEADHO CCN1CCC([NH+]2CCC(C(=O)N3[C@H](C)CN(CC)C[C@@H]3C)CC2)CC1 ZINC000519606878 562136921 /nfs/dbraw/zinc/13/69/21/562136921.db2.gz GSKQEJCJVLCQMM-HDICACEKSA-N 1 3 364.578 2.124 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@@H](CC[NH3+])C3)c2)CC1 ZINC000519748393 562142247 /nfs/dbraw/zinc/14/22/47/562142247.db2.gz QZENRMISSSHPAZ-KRWDZBQOSA-N 1 3 359.518 2.421 20 0 FEADHO O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000519753826 562142650 /nfs/dbraw/zinc/14/26/50/562142650.db2.gz FYLCSXNPKPHHDL-YZGWKJHDSA-N 1 3 356.514 2.196 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])CC2)C[C@@H](C)O1 ZINC000519776223 562143704 /nfs/dbraw/zinc/14/37/04/562143704.db2.gz ZVVIGQQPWZFXBZ-ZAWLATJESA-N 1 3 351.535 2.242 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000373317596 557671447 /nfs/dbraw/zinc/67/14/47/557671447.db2.gz JDNMNQPVCHHKSC-SJLPKXTDSA-N 1 3 368.566 2.248 20 0 FEADHO COCC1(C(=O)NC2CCN(Cc3cccc(C)c3)CC2)CC[NH2+]CC1 ZINC000373559248 557718228 /nfs/dbraw/zinc/71/82/28/557718228.db2.gz GYBCUMCRQBPNOJ-UHFFFAOYSA-N 1 3 359.514 2.092 20 0 FEADHO CCN(CC)CC(=O)N1CCN(c2cc[nH+]cc2-c2cccnc2)CC1 ZINC000373944855 557793374 /nfs/dbraw/zinc/79/33/74/557793374.db2.gz FEJHLPJHWHOESH-UHFFFAOYSA-N 1 3 353.470 2.134 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)NCC(C)(C)N2CCC(OC)CC2)CC1 ZINC000520788084 562163585 /nfs/dbraw/zinc/16/35/85/562163585.db2.gz QJWQEGAGICNRAS-UHFFFAOYSA-N 1 3 368.566 2.440 20 0 FEADHO C[NH+]1CCC([C@H]2CCN(C(=O)CC3(N4CCOCC4)CCCC3)C2)CC1 ZINC000374324021 557865773 /nfs/dbraw/zinc/86/57/73/557865773.db2.gz AMGDCTSDBOYUFW-IBGZPJMESA-N 1 3 363.546 2.212 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NCCC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000521050610 562168418 /nfs/dbraw/zinc/16/84/18/562168418.db2.gz VVIAWYOXSHNEDT-LJQANCHMSA-N 1 3 358.530 2.479 20 0 FEADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000521216473 562171839 /nfs/dbraw/zinc/17/18/39/562171839.db2.gz PSRFXAZBKGDQKL-IRXDYDNUSA-N 1 3 366.550 2.097 20 0 FEADHO Cc1nc2ccccn2c(=O)c1CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000375078342 557974428 /nfs/dbraw/zinc/97/44/28/557974428.db2.gz CDJRVJSVYHNERR-UHFFFAOYSA-N 1 3 354.498 2.353 20 0 FEADHO C[C@@H](NC(=O)N1CCN2CCC1CC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375201791 557991237 /nfs/dbraw/zinc/99/12/37/557991237.db2.gz SFRYPHRYWQYYRT-MJGOQNOKSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H](NC(=O)N1CCN2CCC1CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000375201791 557991238 /nfs/dbraw/zinc/99/12/38/557991238.db2.gz SFRYPHRYWQYYRT-MJGOQNOKSA-N 1 3 356.514 2.387 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2CCCCCN2)cc1 ZINC000375287466 558004528 /nfs/dbraw/zinc/00/45/28/558004528.db2.gz OHPSWAVJWXOQKF-GOSISDBHSA-N 1 3 360.502 2.229 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000375965078 558106095 /nfs/dbraw/zinc/10/60/95/558106095.db2.gz WHPMDOBSQZMWNN-HZPDHXFCSA-N 1 3 350.532 2.448 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000375965078 558106097 /nfs/dbraw/zinc/10/60/97/558106097.db2.gz WHPMDOBSQZMWNN-HZPDHXFCSA-N 1 3 350.532 2.448 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)cc2)CC1 ZINC000376115248 558128768 /nfs/dbraw/zinc/12/87/68/558128768.db2.gz ODFUXMPVVNTFQX-YLJYHZDGSA-N 1 3 356.514 2.041 20 0 FEADHO C[C@@H]1CN(CCc2nc(-c3ccccc3)no2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000376204174 558140414 /nfs/dbraw/zinc/14/04/14/558140414.db2.gz XOTVOTZKULOZCS-IEBWSBKVSA-N 1 3 369.513 2.237 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376679594 558207013 /nfs/dbraw/zinc/20/70/13/558207013.db2.gz KUOQCFAATAIWBE-OTWHNJEPSA-N 1 3 359.518 2.200 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376679594 558207015 /nfs/dbraw/zinc/20/70/15/558207015.db2.gz KUOQCFAATAIWBE-OTWHNJEPSA-N 1 3 359.518 2.200 20 0 FEADHO CC1CC[NH+](CCCCNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000522256622 562195317 /nfs/dbraw/zinc/19/53/17/562195317.db2.gz CNVAKAAWHPWDAJ-JOCHJYFZSA-N 1 3 373.541 2.252 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000522256668 562195339 /nfs/dbraw/zinc/19/53/39/562195339.db2.gz NEPZNVHNDAMGFC-KNKQGSTJSA-N 1 3 373.541 2.108 20 0 FEADHO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000377412188 558335519 /nfs/dbraw/zinc/33/55/19/558335519.db2.gz MYULLQYRQOMNMJ-FRYIKTPZSA-N 1 3 359.514 2.122 20 0 FEADHO C[C@H](NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377412188 558335520 /nfs/dbraw/zinc/33/55/20/558335520.db2.gz MYULLQYRQOMNMJ-FRYIKTPZSA-N 1 3 359.514 2.122 20 0 FEADHO C[C@H](NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377412188 558335521 /nfs/dbraw/zinc/33/55/21/558335521.db2.gz MYULLQYRQOMNMJ-FRYIKTPZSA-N 1 3 359.514 2.122 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000522077541 562191054 /nfs/dbraw/zinc/19/10/54/562191054.db2.gz MFDULDFVVSEQNK-MOPGFXCFSA-N 1 3 368.566 2.153 20 0 FEADHO CCC[NH+]1CCC(N2CCN(C(=O)[C@@H](C)[C@H](N)c3ccccc3)CC2)CC1 ZINC000378201493 558501690 /nfs/dbraw/zinc/50/16/90/558501690.db2.gz DJVXPCMCQMZOAL-RXVVDRJESA-N 1 3 372.557 2.341 20 0 FEADHO [NH3+]C[C@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390876933 558612805 /nfs/dbraw/zinc/61/28/05/558612805.db2.gz IBIQFMVDVUGBMU-SFTDATJTSA-N 1 3 367.493 2.136 20 0 FEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000524370751 562227597 /nfs/dbraw/zinc/22/75/97/562227597.db2.gz QGDDLFFWSZPLLA-GCJKJVERSA-N 1 3 373.541 2.250 20 0 FEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000524370751 562227598 /nfs/dbraw/zinc/22/75/98/562227598.db2.gz QGDDLFFWSZPLLA-GCJKJVERSA-N 1 3 373.541 2.250 20 0 FEADHO O=C(NCCC[NH+]1CCCC1)NC1CCN(CCc2ccccc2)CC1 ZINC000410330390 558751737 /nfs/dbraw/zinc/75/17/37/558751737.db2.gz XVKGKWQYZDTPIS-UHFFFAOYSA-N 1 3 358.530 2.479 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000410406676 558755553 /nfs/dbraw/zinc/75/55/53/558755553.db2.gz IGOPXDPZHCEEBE-MSOLQXFVSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000410406676 558755556 /nfs/dbraw/zinc/75/55/56/558755556.db2.gz IGOPXDPZHCEEBE-MSOLQXFVSA-N 1 3 360.502 2.053 20 0 FEADHO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)ccc1C[NH+](C)C ZINC000411397088 558887509 /nfs/dbraw/zinc/88/75/09/558887509.db2.gz GUMFBSZVPAANCT-LJQANCHMSA-N 1 3 372.513 2.082 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000411483856 558902719 /nfs/dbraw/zinc/90/27/19/558902719.db2.gz CYJIZICFMYHXIF-OAQYLSRUSA-N 1 3 373.497 2.099 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1scnc1C ZINC000411826976 558971444 /nfs/dbraw/zinc/97/14/44/558971444.db2.gz VXHMMIVGPUYFJO-MRXNPFEDSA-N 1 3 352.548 2.259 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1scnc1C ZINC000411826976 558971447 /nfs/dbraw/zinc/97/14/47/558971447.db2.gz VXHMMIVGPUYFJO-MRXNPFEDSA-N 1 3 352.548 2.259 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000525884940 562258402 /nfs/dbraw/zinc/25/84/02/562258402.db2.gz FCIWPYIIFIQMFG-UHFFFAOYSA-N 1 3 362.522 2.029 20 0 FEADHO COc1cc2nccc(NC[C@H](O)C[NH+]3CCC(C)CC3)c2cc1OC ZINC000413144756 559082395 /nfs/dbraw/zinc/08/23/95/559082395.db2.gz YIJVGZAPIFVYPP-HNNXBMFYSA-N 1 3 359.470 2.179 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000526973381 562271587 /nfs/dbraw/zinc/27/15/87/562271587.db2.gz PKQKMCGYJZRDST-UHFFFAOYSA-N 1 3 366.550 2.192 20 0 FEADHO CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1(C)C ZINC000414188674 559152163 /nfs/dbraw/zinc/15/21/63/559152163.db2.gz JARIWAUQRQFGLN-RTBURBONSA-N 1 3 367.578 2.212 20 0 FEADHO Cc1nc2c(s1)[C@H]([NH2+]CC1(N3CCOCC3)CCN(C)CC1)CCC2 ZINC000414202731 559152686 /nfs/dbraw/zinc/15/26/86/559152686.db2.gz UQBDZITVXOYWBP-MRXNPFEDSA-N 1 3 364.559 2.215 20 0 FEADHO C[C@@H](CCCC(F)(F)F)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414207234 559152944 /nfs/dbraw/zinc/15/29/44/559152944.db2.gz ZJCURCWGGXHWFA-HNNXBMFYSA-N 1 3 351.457 2.494 20 0 FEADHO CN1CCC(C[NH2+]C2CC(c3ccc(F)cc3)C2)(N2CCOCC2)CC1 ZINC000414205250 559153048 /nfs/dbraw/zinc/15/30/48/559153048.db2.gz XEVVREUOPDKFLW-UHFFFAOYSA-N 1 3 361.505 2.458 20 0 FEADHO COCCC1(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCCCC1 ZINC000414490885 559168356 /nfs/dbraw/zinc/16/83/56/559168356.db2.gz YIMBDGBMRURREJ-UHFFFAOYSA-N 1 3 367.578 2.360 20 0 FEADHO C[N@H+](CCc1ccc(Br)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414702456 559180888 /nfs/dbraw/zinc/18/08/88/559180888.db2.gz XESPLDXZFNVYKC-HNNXBMFYSA-N 1 3 368.319 2.121 20 0 FEADHO C[N@@H+](CCc1ccc(Br)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414702456 559180889 /nfs/dbraw/zinc/18/08/89/559180889.db2.gz XESPLDXZFNVYKC-HNNXBMFYSA-N 1 3 368.319 2.121 20 0 FEADHO Cc1ccc(C(=O)C2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000414689584 559179748 /nfs/dbraw/zinc/17/97/48/559179748.db2.gz LDBXQNUHYIMMDE-KRWDZBQOSA-N 1 3 357.498 2.087 20 0 FEADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414700847 559180773 /nfs/dbraw/zinc/18/07/73/559180773.db2.gz GPEFVMPSDRSBKX-MRXNPFEDSA-N 1 3 362.518 2.471 20 0 FEADHO CCc1nc2c(s1)[C@H]([N@H+](C)C[C@H]1CCCN(C(=O)CN)C1)CCC2 ZINC000414699844 559180778 /nfs/dbraw/zinc/18/07/78/559180778.db2.gz FRGFTTYVBZQVLW-UKRRQHHQSA-N 1 3 350.532 2.212 20 0 FEADHO CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1)CCC2 ZINC000414699844 559180780 /nfs/dbraw/zinc/18/07/80/559180780.db2.gz FRGFTTYVBZQVLW-UKRRQHHQSA-N 1 3 350.532 2.212 20 0 FEADHO CCC[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CCN1Cc1ccccc1 ZINC000414705553 559181023 /nfs/dbraw/zinc/18/10/23/559181023.db2.gz KPDBICXVDCHVDR-LEWJYISDSA-N 1 3 372.557 2.170 20 0 FEADHO CCC[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CCN1Cc1ccccc1 ZINC000414705553 559181024 /nfs/dbraw/zinc/18/10/24/559181024.db2.gz KPDBICXVDCHVDR-LEWJYISDSA-N 1 3 372.557 2.170 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)c1 ZINC000414708259 559181365 /nfs/dbraw/zinc/18/13/65/559181365.db2.gz QBCQHSUEXWDRQE-HOTGVXAUSA-N 1 3 360.502 2.114 20 0 FEADHO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000414731425 559182903 /nfs/dbraw/zinc/18/29/03/559182903.db2.gz BSYNZGWKSJSWOR-IYOUNJFTSA-N 1 3 353.894 2.203 20 0 FEADHO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414759684 559185931 /nfs/dbraw/zinc/18/59/31/559185931.db2.gz OVUWZTWLTFAQNV-CQSZACIVSA-N 1 3 373.419 2.213 20 0 FEADHO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414759684 559185932 /nfs/dbraw/zinc/18/59/32/559185932.db2.gz OVUWZTWLTFAQNV-CQSZACIVSA-N 1 3 373.419 2.213 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@H]2C)c1 ZINC000414858624 559191207 /nfs/dbraw/zinc/19/12/07/559191207.db2.gz SDWLKXPBPQVTTE-HZPDHXFCSA-N 1 3 360.502 2.114 20 0 FEADHO CCOc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1OC ZINC000414967429 559197697 /nfs/dbraw/zinc/19/76/97/559197697.db2.gz FCVUDCZQZIIANI-INIZCTEOSA-N 1 3 361.408 2.020 20 0 FEADHO FC(F)(F)[C@@H](CNCc1c[nH]nc1-c1ccsc1)N1CC[NH2+]CC1 ZINC000414989733 559199369 /nfs/dbraw/zinc/19/93/69/559199369.db2.gz QWYTULAVUPEQME-CYBMUJFWSA-N 1 3 359.421 2.064 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H]1CCCCNC1 ZINC000415065966 559203610 /nfs/dbraw/zinc/20/36/10/559203610.db2.gz IBSVDKJFHBPSBX-KDOFPFPSSA-N 1 3 358.486 2.484 20 0 FEADHO COc1ccccc1CC(=O)N1CCC(N[C@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000415100286 559205286 /nfs/dbraw/zinc/20/52/86/559205286.db2.gz HUUMBEZGXZBDBL-APWZRJJASA-N 1 3 359.514 2.349 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000415115697 559205989 /nfs/dbraw/zinc/20/59/89/559205989.db2.gz ULJZUWABJJBDNI-UHFFFAOYSA-N 1 3 354.454 2.435 20 0 FEADHO Cn1nnc2cc(CNCC3([NH3+])CCN(Cc4ccccc4)CC3)ccc21 ZINC000415132715 559207285 /nfs/dbraw/zinc/20/72/85/559207285.db2.gz LSOCZYBALLUFAR-UHFFFAOYSA-N 1 3 364.497 2.051 20 0 FEADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000415161745 559210339 /nfs/dbraw/zinc/21/03/39/559210339.db2.gz VQDWFEUCVLBZOA-HNAYVOBHSA-N 1 3 368.481 2.152 20 0 FEADHO CCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415215848 559215585 /nfs/dbraw/zinc/21/55/85/559215585.db2.gz IDWWIWTUELTKRU-UHFFFAOYSA-N 1 3 360.502 2.069 20 0 FEADHO COc1ccnc2c(NC(=O)N(CCN(C)C)CC[NH+](C)C)cccc12 ZINC000527132189 562277489 /nfs/dbraw/zinc/27/74/89/562277489.db2.gz AQLDEQPCJVFAKH-UHFFFAOYSA-N 1 3 359.474 2.201 20 0 FEADHO C[C@H](CN)N(C)C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000415413213 559232999 /nfs/dbraw/zinc/23/29/99/559232999.db2.gz DDCFOPAJEMYMJT-OAHLLOKOSA-N 1 3 360.502 2.195 20 0 FEADHO C[C@H](CN)N(C)C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000415413213 559233000 /nfs/dbraw/zinc/23/30/00/559233000.db2.gz DDCFOPAJEMYMJT-OAHLLOKOSA-N 1 3 360.502 2.195 20 0 FEADHO CN(C)CCN(Cc1ccco1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415949958 559284050 /nfs/dbraw/zinc/28/40/50/559284050.db2.gz BDKBHUPGDLVKIC-OAHLLOKOSA-N 1 3 357.458 2.086 20 0 FEADHO COCCN(CCN(C)C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415967970 559285709 /nfs/dbraw/zinc/28/57/09/559285709.db2.gz INAGHAYFKBLXFL-UHFFFAOYSA-N 1 3 362.396 2.206 20 0 FEADHO [NH3+]Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000415970699 559285827 /nfs/dbraw/zinc/28/58/27/559285827.db2.gz FSRQLDPCXMVKRL-QUCCMNQESA-N 1 3 368.481 2.150 20 0 FEADHO C[NH2+]Cc1ccc(NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)cc1 ZINC000415980846 559286847 /nfs/dbraw/zinc/28/68/47/559286847.db2.gz HTVSXOQKERWHBI-FQEVSTJZSA-N 1 3 368.481 2.294 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(F)(F)F ZINC000415989743 559287221 /nfs/dbraw/zinc/28/72/21/559287221.db2.gz BEYAQBAPZOUQQP-LSDHHAIUSA-N 1 3 358.408 2.402 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415998774 559288194 /nfs/dbraw/zinc/28/81/94/559288194.db2.gz UXMFMDBUWJNUTG-CQSZACIVSA-N 1 3 364.387 2.179 20 0 FEADHO COCC1(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[NH2+]CC1 ZINC000416785396 559332744 /nfs/dbraw/zinc/33/27/44/559332744.db2.gz KUKSDWCNWKXQDN-LJQANCHMSA-N 1 3 374.529 2.139 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000416967028 559340742 /nfs/dbraw/zinc/34/07/42/559340742.db2.gz GNJGREBIVMJFHP-RBUKOAKNSA-N 1 3 374.529 2.158 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000416970529 559340796 /nfs/dbraw/zinc/34/07/96/559340796.db2.gz NULNLURXMXZEKZ-UHFFFAOYSA-N 1 3 362.518 2.478 20 0 FEADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000417148581 559350091 /nfs/dbraw/zinc/35/00/91/559350091.db2.gz HCRJZTALLCLJAC-MOPGFXCFSA-N 1 3 373.545 2.015 20 0 FEADHO Cc1ccc([C@H](CNC(=O)NCCC[NH2+]Cc2cccnc2)N(C)C)cc1 ZINC000417312159 559357002 /nfs/dbraw/zinc/35/70/02/559357002.db2.gz NDHIIGWLPHINIF-FQEVSTJZSA-N 1 3 369.513 2.472 20 0 FEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000417363420 559359341 /nfs/dbraw/zinc/35/93/41/559359341.db2.gz KLGPBOFNHWQOQX-XHSDSOJGSA-N 1 3 350.532 2.352 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000417512074 559365271 /nfs/dbraw/zinc/36/52/71/559365271.db2.gz HAUASIOQWNPIFR-MUGJNUQGSA-N 1 3 374.529 2.075 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)NC[C@H](N)c3ccccc3)CCCC2)CC1 ZINC000417546348 559366481 /nfs/dbraw/zinc/36/64/81/559366481.db2.gz MIZMTXBOHHGLKA-IBGZPJMESA-N 1 3 374.529 2.409 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417568774 559367081 /nfs/dbraw/zinc/36/70/81/559367081.db2.gz PGIWZDDJOJHRIT-PMACEKPBSA-N 1 3 370.497 2.250 20 0 FEADHO C[NH2+]C[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000417620109 559369399 /nfs/dbraw/zinc/36/93/99/559369399.db2.gz COZVXNIUNBZSHU-KRWDZBQOSA-N 1 3 368.591 2.379 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)Cc2ccccc2C1 ZINC000417737733 559374726 /nfs/dbraw/zinc/37/47/26/559374726.db2.gz OCILFZKAPZQYBW-HXUWFJFHSA-N 1 3 370.541 2.117 20 0 FEADHO COCCCN(C)CCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417752983 559375416 /nfs/dbraw/zinc/37/54/16/559375416.db2.gz NQZGRRGIVZDLFA-IBGZPJMESA-N 1 3 358.486 2.107 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417825293 559377929 /nfs/dbraw/zinc/37/79/29/559377929.db2.gz MYOFCADQXLYVKL-VNQPRFMTSA-N 1 3 354.445 2.179 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)CN1Cc1ccccc1 ZINC000417887318 559380642 /nfs/dbraw/zinc/38/06/42/559380642.db2.gz ZVXAJSMRDCWOTO-IEBWSBKVSA-N 1 3 356.514 2.435 20 0 FEADHO C[C@H]1NCCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1C ZINC000417999332 559385953 /nfs/dbraw/zinc/38/59/53/559385953.db2.gz VOKHYXBPNRFZGY-MSOLQXFVSA-N 1 3 374.529 2.096 20 0 FEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418031156 559387317 /nfs/dbraw/zinc/38/73/17/559387317.db2.gz KOIODMAODBZXSZ-UFYCRDLUSA-N 1 3 358.530 2.394 20 0 FEADHO CC(C)[C@H]([NH3+])CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418108794 559390215 /nfs/dbraw/zinc/39/02/15/559390215.db2.gz SCPFTNYQLFFANW-JXQTWKCFSA-N 1 3 350.429 2.074 20 0 FEADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000418162475 559392446 /nfs/dbraw/zinc/39/24/46/559392446.db2.gz UYDOYOHZWYHPSE-OALUTQOASA-N 1 3 374.529 2.046 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)N3CCCC[C@@H]3C[NH3+])cc2)CC1 ZINC000418167391 559392683 /nfs/dbraw/zinc/39/26/83/559392683.db2.gz KWHPOKUZTHJFEJ-QGZVFWFLSA-N 1 3 360.502 2.182 20 0 FEADHO COC[C@]1(CNC(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)CCC[NH2+]1 ZINC000418177607 559393019 /nfs/dbraw/zinc/39/30/19/559393019.db2.gz IAKCFYAOEMGGHP-IMFGXOCKSA-N 1 3 362.518 2.054 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)N(C)C)cc1 ZINC000418216165 559394178 /nfs/dbraw/zinc/39/41/78/559394178.db2.gz ZFDYSJHKVPWJKB-HZPDHXFCSA-N 1 3 372.460 2.358 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)N(C)C)cc1 ZINC000418216769 559394329 /nfs/dbraw/zinc/39/43/29/559394329.db2.gz ZULDYGYMPJZLKK-SUMDDJOVSA-N 1 3 362.518 2.455 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)N(C)C)cc1 ZINC000418229149 559394741 /nfs/dbraw/zinc/39/47/41/559394741.db2.gz GDSUCLSCGYCQMZ-HKUYNNGSSA-N 1 3 362.543 2.406 20 0 FEADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418422131 559400925 /nfs/dbraw/zinc/40/09/25/559400925.db2.gz CIXHZPSPIJZIDP-JENIJYKNSA-N 1 3 368.566 2.281 20 0 FEADHO C[C@H](C[NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000418462507 559402626 /nfs/dbraw/zinc/40/26/26/559402626.db2.gz BNHLMKRNVDGBFO-CYBMUJFWSA-N 1 3 360.424 2.373 20 0 FEADHO O=C(NCC1C[NH2+]C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000418487845 559403538 /nfs/dbraw/zinc/40/35/38/559403538.db2.gz LURFKMSAZTUWOY-UHFFFAOYSA-N 1 3 356.514 2.436 20 0 FEADHO O=C(NCc1ccc2c(c1)CNC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000418548125 559405716 /nfs/dbraw/zinc/40/57/16/559405716.db2.gz CMMRXUHJLWPLTJ-FXAWDEMLSA-N 1 3 354.498 2.448 20 0 FEADHO O=C(NCc1ccc2c(c1)CNC2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000418548125 559405717 /nfs/dbraw/zinc/40/57/17/559405717.db2.gz CMMRXUHJLWPLTJ-FXAWDEMLSA-N 1 3 354.498 2.448 20 0 FEADHO O=C(NCC[C@H]1CCC[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000418551972 559405792 /nfs/dbraw/zinc/40/57/92/559405792.db2.gz QYERFMRTMKRIMS-HXUWFJFHSA-N 1 3 358.530 2.479 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000418606716 559407677 /nfs/dbraw/zinc/40/76/77/559407677.db2.gz VYVHAHAETLLUMZ-GOSISDBHSA-N 1 3 356.514 2.460 20 0 FEADHO C[C@H]1CN(C(=O)NC[C@H]2NCCc3ccccc32)CC[N@@H+](C2CCC2)C1 ZINC000418630620 559408659 /nfs/dbraw/zinc/40/86/59/559408659.db2.gz FPWGXJJFSATKNL-OXQOHEQNSA-N 1 3 356.514 2.389 20 0 FEADHO C[C@H]1CN(C(=O)NC[C@H]2NCCc3ccccc32)CC[N@H+](C2CCC2)C1 ZINC000418630620 559408660 /nfs/dbraw/zinc/40/86/60/559408660.db2.gz FPWGXJJFSATKNL-OXQOHEQNSA-N 1 3 356.514 2.389 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418677406 559410823 /nfs/dbraw/zinc/41/08/23/559410823.db2.gz ROAFBVUKPOKUQZ-MOPGFXCFSA-N 1 3 362.518 2.219 20 0 FEADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000418788067 559416246 /nfs/dbraw/zinc/41/62/46/559416246.db2.gz JSRARNCBDNQMPC-HSALFYBXSA-N 1 3 358.530 2.456 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000418804180 559416772 /nfs/dbraw/zinc/41/67/72/559416772.db2.gz WTJAWHMYKFXLJN-IPMKNSEASA-N 1 3 374.529 2.157 20 0 FEADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCCc2nc(-c3ccccc3)no2)CC1 ZINC000420326728 559480755 /nfs/dbraw/zinc/48/07/55/559480755.db2.gz KPLWHIQFURZBLS-MJGOQNOKSA-N 1 3 356.470 2.497 20 0 FEADHO CN(Cc1c(F)cccc1Cl)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327075 559480908 /nfs/dbraw/zinc/48/09/08/559480908.db2.gz CUEIIYFOJMKVIU-OKILXGFUSA-N 1 3 353.869 2.369 20 0 FEADHO Cc1cccc(OCCNC(=O)[C@H](C)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420341922 559481921 /nfs/dbraw/zinc/48/19/21/559481921.db2.gz OWRYUCQTPKJZBX-FHWLQOOXSA-N 1 3 359.514 2.200 20 0 FEADHO CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420343351 559482076 /nfs/dbraw/zinc/48/20/76/559482076.db2.gz QSOVJAAFIHVDFE-BHYGNILZSA-N 1 3 358.486 2.294 20 0 FEADHO O=C(CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1)Nc1ccccc1Cl ZINC000420372766 559483790 /nfs/dbraw/zinc/48/37/90/559483790.db2.gz LYXWIKHSYHUBHP-MRXNPFEDSA-N 1 3 364.921 2.286 20 0 FEADHO CCN1CCC([N@@H+]2CCCN([C@H](C)C(=O)NCCC(C)C)CC2)CC1 ZINC000420976364 559516095 /nfs/dbraw/zinc/51/60/95/559516095.db2.gz GXAHFYNKLFSZIV-GOSISDBHSA-N 1 3 352.567 2.029 20 0 FEADHO CCN1CCC([N@H+]2CCCN([C@H](C)C(=O)NCCC(C)C)CC2)CC1 ZINC000420976364 559516096 /nfs/dbraw/zinc/51/60/96/559516096.db2.gz GXAHFYNKLFSZIV-GOSISDBHSA-N 1 3 352.567 2.029 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000421285492 559535725 /nfs/dbraw/zinc/53/57/25/559535725.db2.gz BCOZAABIBWXWNI-UHFFFAOYSA-N 1 3 374.529 2.456 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)CC1 ZINC000421371676 559540457 /nfs/dbraw/zinc/54/04/57/559540457.db2.gz KEBCWPXPEOQMLN-UHFFFAOYSA-N 1 3 372.513 2.010 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC3CCC([NH+](C)C)CC3)CC2)c1 ZINC000422013928 559560752 /nfs/dbraw/zinc/56/07/52/559560752.db2.gz YILHAGUMEQCUMW-UHFFFAOYSA-N 1 3 372.557 2.496 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000422272553 559574773 /nfs/dbraw/zinc/57/47/73/559574773.db2.gz ZDXONUMFSDOXQP-FAFZWHIHSA-N 1 3 362.518 2.470 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3c4ccccc4C[C@H]3C[NH3+])cc2)CC1 ZINC000422614536 559597764 /nfs/dbraw/zinc/59/77/64/559597764.db2.gz HSNJIAKGBRRLCP-FQEVSTJZSA-N 1 3 364.493 2.359 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000422710092 559603826 /nfs/dbraw/zinc/60/38/26/559603826.db2.gz KXFDKSHSTTXAJN-KNCOVGOOSA-N 1 3 368.319 2.370 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000422713832 559604034 /nfs/dbraw/zinc/60/40/34/559604034.db2.gz KHKMYCMHPROFBR-GOEBONIOSA-N 1 3 373.588 2.428 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCCC[C@H]2CN)s1 ZINC000422713832 559604035 /nfs/dbraw/zinc/60/40/35/559604035.db2.gz KHKMYCMHPROFBR-GOEBONIOSA-N 1 3 373.588 2.428 20 0 FEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000422786487 559606664 /nfs/dbraw/zinc/60/66/64/559606664.db2.gz OZQTVCRKOGNQHH-CVEARBPZSA-N 1 3 350.507 2.142 20 0 FEADHO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N2CCOCC2)o1 ZINC000422799647 559606950 /nfs/dbraw/zinc/60/69/50/559606950.db2.gz XURDTPXGPNBOEU-HNAYVOBHSA-N 1 3 358.486 2.474 20 0 FEADHO O=C(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000422844963 559608362 /nfs/dbraw/zinc/60/83/62/559608362.db2.gz NHWRAXWWURTQOO-HBMCJLEFSA-N 1 3 370.541 2.236 20 0 FEADHO COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)CCOCC1 ZINC000422898874 559610399 /nfs/dbraw/zinc/61/03/99/559610399.db2.gz NCVQGBFTLNVGML-ZIFCJYIRSA-N 1 3 362.514 2.394 20 0 FEADHO COc1ccc(C)cc1C1(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CCOCC1 ZINC000422898874 559610400 /nfs/dbraw/zinc/61/04/00/559610400.db2.gz NCVQGBFTLNVGML-ZIFCJYIRSA-N 1 3 362.514 2.394 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000422899569 559610477 /nfs/dbraw/zinc/61/04/77/559610477.db2.gz HQPBZOBUKKDAFH-MNXVOIDGSA-N 1 3 363.285 2.075 20 0 FEADHO CN(C)CCNC(=O)c1cccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422901751 559610658 /nfs/dbraw/zinc/61/06/58/559610658.db2.gz CCZSPCCENNKJMU-PMACEKPBSA-N 1 3 352.482 2.212 20 0 FEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000422909627 559610691 /nfs/dbraw/zinc/61/06/91/559610691.db2.gz GMFFHIFPWVRNHG-PXNSSMCTSA-N 1 3 360.546 2.378 20 0 FEADHO OCCOc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422943088 559612280 /nfs/dbraw/zinc/61/22/80/559612280.db2.gz JZXBNGXJLNVGML-FPOVZHCZSA-N 1 3 354.450 2.403 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000423020721 559615297 /nfs/dbraw/zinc/61/52/97/559615297.db2.gz CTFFEZFGSWXSFJ-OKZBNKHCSA-N 1 3 355.910 2.055 20 0 FEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423062149 559617083 /nfs/dbraw/zinc/61/70/83/559617083.db2.gz MHOHBAUBQXXJMG-AEFFLSMTSA-N 1 3 372.513 2.179 20 0 FEADHO CCOC1CC(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)(N2CCOCC2)C1 ZINC000423073594 559617511 /nfs/dbraw/zinc/61/75/11/559617511.db2.gz JEWHLOPLPZMNGY-QHEDFCPTSA-N 1 3 365.562 2.157 20 0 FEADHO COc1ccc([C@H](NCCN2CCN(C)C(C)(C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423099195 559618977 /nfs/dbraw/zinc/61/89/77/559618977.db2.gz LRYKVNRWVLZLNL-UXHICEINSA-N 1 3 360.546 2.104 20 0 FEADHO [NH3+]C[C@H]1CCC[C@H]1NCCOc1ccc(I)cc1 ZINC000423107254 559619362 /nfs/dbraw/zinc/61/93/62/559619362.db2.gz DZPACVAJIPFKAN-BXUZGUMPSA-N 1 3 360.239 2.387 20 0 FEADHO C[C@H](NCCCN1CC[NH2+]CC1)c1ccccc1I ZINC000423185765 559622189 /nfs/dbraw/zinc/62/21/89/559622189.db2.gz WEJWWHAXEKEKRG-ZDUSSCGKSA-N 1 3 373.282 2.237 20 0 FEADHO C[C@@H](NCC[C@@H]1CC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423245443 559623659 /nfs/dbraw/zinc/62/36/59/559623659.db2.gz IWUHRKSIOCIHQK-ZJUUUORDSA-N 1 3 366.314 2.291 20 0 FEADHO CC[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000423380703 559627314 /nfs/dbraw/zinc/62/73/14/559627314.db2.gz HNPKDUALUGLLNX-PBHICJAKSA-N 1 3 373.419 2.335 20 0 FEADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000423426592 559628810 /nfs/dbraw/zinc/62/88/10/559628810.db2.gz PPNPMDBBNYYRIN-KXBFYZLASA-N 1 3 363.477 2.173 20 0 FEADHO C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424293742 559660879 /nfs/dbraw/zinc/66/08/79/559660879.db2.gz PWKKBPWPMQKLAX-CABCVRRESA-N 1 3 365.468 2.476 20 0 FEADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000424368287 559662007 /nfs/dbraw/zinc/66/20/07/559662007.db2.gz PLOIAAPQQNHVAF-QZTJIDSGSA-N 1 3 367.921 2.411 20 0 FEADHO COC(=O)[C@@H](CCN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000425462343 559703483 /nfs/dbraw/zinc/70/34/83/559703483.db2.gz UIOIUHAXXVCNAV-RXVVDRJESA-N 1 3 373.541 2.434 20 0 FEADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000426158320 559730883 /nfs/dbraw/zinc/73/08/83/559730883.db2.gz AKMZUQPPDAVODU-FQEVSTJZSA-N 1 3 366.594 2.373 20 0 FEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000427872639 559764403 /nfs/dbraw/zinc/76/44/03/559764403.db2.gz YHDHTFHTPYYRDQ-LJQANCHMSA-N 1 3 360.546 2.435 20 0 FEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000427872639 559764404 /nfs/dbraw/zinc/76/44/04/559764404.db2.gz YHDHTFHTPYYRDQ-LJQANCHMSA-N 1 3 360.546 2.435 20 0 FEADHO CN1CCN(CC2(C)CC[NH+](CCN3CCc4ccccc43)CC2)CC1 ZINC000428442479 559775711 /nfs/dbraw/zinc/77/57/11/559775711.db2.gz UDOJTLCLBSAISY-UHFFFAOYSA-N 1 3 356.558 2.399 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000430556306 559822362 /nfs/dbraw/zinc/82/23/62/559822362.db2.gz YPKKSVJMIUOQLR-FPOVZHCZSA-N 1 3 372.557 2.089 20 0 FEADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000430574812 559823379 /nfs/dbraw/zinc/82/33/79/559823379.db2.gz UKUPRVHSNMYRAO-SFHVURJKSA-N 1 3 358.530 2.045 20 0 FEADHO COC1CCN(C2(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CCCC2)CC1 ZINC000430709118 559826792 /nfs/dbraw/zinc/82/67/92/559826792.db2.gz WIGHOLJXQWHFJN-UHOSZYNNSA-N 1 3 363.546 2.447 20 0 FEADHO O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)CNCC2CC2)c1 ZINC000430726393 559827292 /nfs/dbraw/zinc/82/72/92/559827292.db2.gz DQLLCZCADDWWPX-UHFFFAOYSA-N 1 3 358.486 2.439 20 0 FEADHO O=C(COC1C[NH2+]C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000430806249 559828554 /nfs/dbraw/zinc/82/85/54/559828554.db2.gz BZUBNGJYAAIEPX-UHFFFAOYSA-N 1 3 357.498 2.022 20 0 FEADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000430932863 559830724 /nfs/dbraw/zinc/83/07/24/559830724.db2.gz GNZVGJYEIOXCRV-QLFBSQMISA-N 1 3 361.486 2.083 20 0 FEADHO COc1ccc(CN(C(=O)CN2CCC3(CC[NH2+]C3)CC2)C2CC2)cc1 ZINC000431033311 559832732 /nfs/dbraw/zinc/83/27/32/559832732.db2.gz HUIJUSUTAFWTAE-UHFFFAOYSA-N 1 3 357.498 2.262 20 0 FEADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)N1CCC(OCc2ccccc2)CC1 ZINC000431036547 559832847 /nfs/dbraw/zinc/83/28/47/559832847.db2.gz JKXIWAKLTHTTHP-UHFFFAOYSA-N 1 3 371.525 2.270 20 0 FEADHO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000433073186 559871289 /nfs/dbraw/zinc/87/12/89/559871289.db2.gz ANQFIZVYUNXHPM-UHFFFAOYSA-N 1 3 353.532 2.149 20 0 FEADHO [NH3+]C1CCN(CCCC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000433116658 559872204 /nfs/dbraw/zinc/87/22/04/559872204.db2.gz MPJSXQHFCKGTEQ-OAQYLSRUSA-N 1 3 372.557 2.361 20 0 FEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433325590 559876979 /nfs/dbraw/zinc/87/69/79/559876979.db2.gz HHZSSEWZPITSIE-FCGDIQPGSA-N 1 3 368.566 2.153 20 0 FEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433325590 559876980 /nfs/dbraw/zinc/87/69/80/559876980.db2.gz HHZSSEWZPITSIE-FCGDIQPGSA-N 1 3 368.566 2.153 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C3CCCCC3)CC2)CCCO1 ZINC000433457400 559881821 /nfs/dbraw/zinc/88/18/21/559881821.db2.gz ZZEZYZZSNVNZMD-GOSISDBHSA-N 1 3 366.550 2.147 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C3CCCCC3)CC2)CCCO1 ZINC000433457400 559881822 /nfs/dbraw/zinc/88/18/22/559881822.db2.gz ZZEZYZZSNVNZMD-GOSISDBHSA-N 1 3 366.550 2.147 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccccc3OCC(=O)NCC3CC3)C[C@@H]21 ZINC000435382121 559921840 /nfs/dbraw/zinc/92/18/40/559921840.db2.gz XUAQIJPWXIHNLJ-YTQUADARSA-N 1 3 357.498 2.151 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438552132 559980553 /nfs/dbraw/zinc/98/05/53/559980553.db2.gz HLIXPHVFJVNMDH-IBGZPJMESA-N 1 3 351.535 2.399 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438552132 559980554 /nfs/dbraw/zinc/98/05/54/559980554.db2.gz HLIXPHVFJVNMDH-IBGZPJMESA-N 1 3 351.535 2.399 20 0 FEADHO COc1ccccc1COC[C@@H](O)CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000555888775 674380006 /nfs/dbraw/zinc/38/00/06/674380006.db2.gz ADHPTEIHMZYSCE-KRWDZBQOSA-N 1 3 350.503 2.472 20 0 FEADHO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442878793 560060323 /nfs/dbraw/zinc/06/03/23/560060323.db2.gz UTSDJJBPXUTWIL-HNNXBMFYSA-N 1 3 362.518 2.330 20 0 FEADHO COc1cc(C)c([C@@H](C)NC(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000443074372 560069523 /nfs/dbraw/zinc/06/95/23/560069523.db2.gz QRLFBFOZGGRYQG-CVEARBPZSA-N 1 3 363.502 2.250 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000446040688 560138473 /nfs/dbraw/zinc/13/84/73/560138473.db2.gz CGWBIVOBGZXULG-GOSISDBHSA-N 1 3 374.529 2.062 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000446040688 560138474 /nfs/dbraw/zinc/13/84/74/560138474.db2.gz CGWBIVOBGZXULG-GOSISDBHSA-N 1 3 374.529 2.062 20 0 FEADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000446279774 560143389 /nfs/dbraw/zinc/14/33/89/560143389.db2.gz ZQXAHOSYFGPCHU-FLAFYDAQSA-N 1 3 371.525 2.471 20 0 FEADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000446279774 560143390 /nfs/dbraw/zinc/14/33/90/560143390.db2.gz ZQXAHOSYFGPCHU-FLAFYDAQSA-N 1 3 371.525 2.471 20 0 FEADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000446279776 560143452 /nfs/dbraw/zinc/14/34/52/560143452.db2.gz ZQXAHOSYFGPCHU-SUQDKLLUSA-N 1 3 371.525 2.471 20 0 FEADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000446279776 560143453 /nfs/dbraw/zinc/14/34/53/560143453.db2.gz ZQXAHOSYFGPCHU-SUQDKLLUSA-N 1 3 371.525 2.471 20 0 FEADHO CC(C)C[C@H]([NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)C(=O)NCCN(C)C ZINC000448022907 560176158 /nfs/dbraw/zinc/17/61/58/560176158.db2.gz QOCNKNXZTMCSCY-BZSNNMDCSA-N 1 3 363.550 2.128 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000448467958 560187605 /nfs/dbraw/zinc/18/76/05/560187605.db2.gz SUNRZWVMLMZGPJ-SFHVURJKSA-N 1 3 368.566 2.107 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000448467958 560187607 /nfs/dbraw/zinc/18/76/07/560187607.db2.gz SUNRZWVMLMZGPJ-SFHVURJKSA-N 1 3 368.566 2.107 20 0 FEADHO CN(C)CCOc1ccc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000449322308 560225003 /nfs/dbraw/zinc/22/50/03/560225003.db2.gz OZSFZZZFVCKKEK-NRFANRHFSA-N 1 3 353.466 2.497 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC000449461846 560231210 /nfs/dbraw/zinc/23/12/10/560231210.db2.gz UAUAXUVEMYRSPG-FPOVZHCZSA-N 1 3 361.530 2.360 20 0 FEADHO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(CN4C[C@@H]5CC[C@H](O)[C@H]5C4)c3)C[C@H]12 ZINC000450707867 560270987 /nfs/dbraw/zinc/27/09/87/560270987.db2.gz BTQCYMLZSYJUFP-ZRMCJETMSA-N 1 3 374.500 2.231 20 0 FEADHO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(CN4C[C@@H]5CC[C@H](O)[C@H]5C4)c3)C[C@H]12 ZINC000450707867 560270988 /nfs/dbraw/zinc/27/09/88/560270988.db2.gz BTQCYMLZSYJUFP-ZRMCJETMSA-N 1 3 374.500 2.231 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000451475427 560309173 /nfs/dbraw/zinc/30/91/73/560309173.db2.gz CJLRUJGLLKECPV-LFGUQSLTSA-N 1 3 359.514 2.199 20 0 FEADHO CC(=O)N1CCCN(C[C@H]2CCC[N@@H+](CC[C@@H]3CCCCN3C)C2)CC1 ZINC000451526138 560312329 /nfs/dbraw/zinc/31/23/29/560312329.db2.gz BPCIKRVGGGAOQB-SFTDATJTSA-N 1 3 364.578 2.127 20 0 FEADHO CC(=O)N1CCCN(C[C@H]2CCC[N@H+](CC[C@@H]3CCCCN3C)C2)CC1 ZINC000451526138 560312330 /nfs/dbraw/zinc/31/23/30/560312330.db2.gz BPCIKRVGGGAOQB-SFTDATJTSA-N 1 3 364.578 2.127 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CC1 ZINC000451619443 560317554 /nfs/dbraw/zinc/31/75/54/560317554.db2.gz IYZAANGHCBLYDT-MOPGFXCFSA-N 1 3 363.546 2.257 20 0 FEADHO O=C(NC[C@@H]1CCCN1CCCO)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000452369819 560360691 /nfs/dbraw/zinc/36/06/91/560360691.db2.gz SCVRUFKPEBXIFC-FQEVSTJZSA-N 1 3 359.514 2.249 20 0 FEADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)Cc2cnccn2)CC1 ZINC000453058544 560382577 /nfs/dbraw/zinc/38/25/77/560382577.db2.gz HLBKMUAIXRYTSH-SFHVURJKSA-N 1 3 353.514 2.335 20 0 FEADHO O[C@H](C[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1)CN1CCCC1 ZINC000453090646 560383143 /nfs/dbraw/zinc/38/31/43/560383143.db2.gz KPSXTIAFHKNRMZ-NZSAHSFTSA-N 1 3 352.906 2.476 20 0 FEADHO C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453618612 560391427 /nfs/dbraw/zinc/39/14/27/560391427.db2.gz ZRSQIAYDYDZFPS-KXBFYZLASA-N 1 3 372.513 2.165 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)Cc1ccccc1 ZINC000454410257 560443437 /nfs/dbraw/zinc/44/34/37/560443437.db2.gz PJEAEYNTVUUGOT-SLFFLAALSA-N 1 3 358.530 2.285 20 0 FEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000458732388 560644390 /nfs/dbraw/zinc/64/43/90/560644390.db2.gz SQTFWYZLPBIHFQ-OALUTQOASA-N 1 3 368.566 2.297 20 0 FEADHO CCn1ccnc1[C@@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000459054478 560664270 /nfs/dbraw/zinc/66/42/70/560664270.db2.gz IKEGTZJJWNMPJR-SJORKVTESA-N 1 3 364.538 2.022 20 0 FEADHO CCn1ccnc1[C@@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000459054478 560664272 /nfs/dbraw/zinc/66/42/72/560664272.db2.gz IKEGTZJJWNMPJR-SJORKVTESA-N 1 3 364.538 2.022 20 0 FEADHO C(NC1CC[NH+](C2CCCCC2)CC1)C1(N2CCOCC2)CCOCC1 ZINC000459712798 560703979 /nfs/dbraw/zinc/70/39/79/560703979.db2.gz NHTJEHGHCDGNAS-UHFFFAOYSA-N 1 3 365.562 2.255 20 0 FEADHO C([NH2+]C1CCN(C2CCCCC2)CC1)C1(N2CCOCC2)CCOCC1 ZINC000459712798 560703980 /nfs/dbraw/zinc/70/39/80/560703980.db2.gz NHTJEHGHCDGNAS-UHFFFAOYSA-N 1 3 365.562 2.255 20 0 FEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000462007867 560792158 /nfs/dbraw/zinc/79/21/58/560792158.db2.gz HRPDNBYCJCLUFU-HKUYNNGSSA-N 1 3 361.534 2.274 20 0 FEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000462007867 560792160 /nfs/dbraw/zinc/79/21/60/560792160.db2.gz HRPDNBYCJCLUFU-HKUYNNGSSA-N 1 3 361.534 2.274 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000466033313 560878429 /nfs/dbraw/zinc/87/84/29/560878429.db2.gz BWSTYUAIYXWYNQ-IRXDYDNUSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000466049258 560879301 /nfs/dbraw/zinc/87/93/01/560879301.db2.gz KLMBVHGNWQWOTB-YJBOKZPZSA-N 1 3 350.482 2.382 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[N@H+]1C ZINC000466049258 560879302 /nfs/dbraw/zinc/87/93/02/560879302.db2.gz KLMBVHGNWQWOTB-YJBOKZPZSA-N 1 3 350.482 2.382 20 0 FEADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000466218063 560882082 /nfs/dbraw/zinc/88/20/82/560882082.db2.gz PMGWDRURSMQFJN-KPFFTGBYSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000466218063 560882084 /nfs/dbraw/zinc/88/20/84/560882084.db2.gz PMGWDRURSMQFJN-KPFFTGBYSA-N 1 3 356.514 2.433 20 0 FEADHO Cc1ccc(-c2ncc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)s2)cc1 ZINC000470008530 560971802 /nfs/dbraw/zinc/97/18/02/560971802.db2.gz LVNCIFIOQUAIFX-MRXNPFEDSA-N 1 3 358.511 2.405 20 0 FEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000470284452 560978009 /nfs/dbraw/zinc/97/80/09/560978009.db2.gz FSMYYYNXYHJQJE-FQEVSTJZSA-N 1 3 369.513 2.371 20 0 FEADHO COCCN1CC[C@@H](NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470890539 560992921 /nfs/dbraw/zinc/99/29/21/560992921.db2.gz CMARESFBBNEPKM-WOJBJXKFSA-N 1 3 374.529 2.013 20 0 FEADHO COCCN1CC[C@@H](NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470890539 560992922 /nfs/dbraw/zinc/99/29/22/560992922.db2.gz CMARESFBBNEPKM-WOJBJXKFSA-N 1 3 374.529 2.013 20 0 FEADHO CN1CCC[C@H](CNC(=O)NCCOCC[NH+](C)C)[C@@H]1c1cccs1 ZINC000471634853 561009172 /nfs/dbraw/zinc/00/91/72/561009172.db2.gz HLKMVKQBUUFDJX-NVXWUHKLSA-N 1 3 368.547 2.008 20 0 FEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000474307018 561070922 /nfs/dbraw/zinc/07/09/22/561070922.db2.gz GGOGRSDHQPXSOU-SCGCMHLBSA-N 1 3 351.441 2.399 20 0 FEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000476015229 561109338 /nfs/dbraw/zinc/10/93/38/561109338.db2.gz XXOOURJCSBMWOA-HNNXBMFYSA-N 1 3 374.529 2.489 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000476482290 561120555 /nfs/dbraw/zinc/12/05/55/561120555.db2.gz COBRMFVNAHLHSZ-RTBURBONSA-N 1 3 368.566 2.297 20 0 FEADHO COCCc1noc(CC2CC[NH+](CCCN3CCCCC3)CC2)n1 ZINC000528629223 562338972 /nfs/dbraw/zinc/33/89/72/562338972.db2.gz YPCJQZOSBLUUPS-UHFFFAOYSA-N 1 3 350.507 2.389 20 0 FEADHO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc4c(c3)OCCNC4)C2)CC1 ZINC000528716610 562343465 /nfs/dbraw/zinc/34/34/65/562343465.db2.gz ADDIZDSJKSRQJC-KRWDZBQOSA-N 1 3 358.486 2.364 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)N2CCCC2)cc1 ZINC000529280418 562367048 /nfs/dbraw/zinc/36/70/48/562367048.db2.gz CXGZRNZFYRKICZ-RTBURBONSA-N 1 3 372.513 2.416 20 0 FEADHO COc1cccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)N2CCCC2)c1 ZINC000529286137 562367452 /nfs/dbraw/zinc/36/74/52/562367452.db2.gz XVNBRKABTMGULO-OALUTQOASA-N 1 3 372.513 2.416 20 0 FEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000531003633 562431606 /nfs/dbraw/zinc/43/16/06/562431606.db2.gz DAXVJIWTASPXSF-SFHVURJKSA-N 1 3 362.518 2.157 20 0 FEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000531003633 562431607 /nfs/dbraw/zinc/43/16/07/562431607.db2.gz DAXVJIWTASPXSF-SFHVURJKSA-N 1 3 362.518 2.157 20 0 FEADHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2c(n1)onc2C(C)C ZINC000531118757 562435265 /nfs/dbraw/zinc/43/52/65/562435265.db2.gz AJOIXQFMLWOJJX-UHFFFAOYSA-N 1 3 361.490 2.220 20 0 FEADHO CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1 ZINC000531531502 562448885 /nfs/dbraw/zinc/44/88/85/562448885.db2.gz OJGJATDMFPKVLH-QFUCXCTJSA-N 1 3 370.541 2.318 20 0 FEADHO CN(C)CCOc1cccc(C[NH2+]C2CCN(c3cnccn3)CC2)c1 ZINC000531700150 562454291 /nfs/dbraw/zinc/45/42/91/562454291.db2.gz KNNODGMLIGBWQH-UHFFFAOYSA-N 1 3 355.486 2.176 20 0 FEADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000536532871 562578105 /nfs/dbraw/zinc/57/81/05/562578105.db2.gz FNWGESNPFHGKQR-IRLDBZIGSA-N 1 3 374.573 2.066 20 0 FEADHO O[C@H](CN[C@H]1CCc2cccc(Br)c2C1)C[NH+]1CCCC1 ZINC000549723495 562638362 /nfs/dbraw/zinc/63/83/62/562638362.db2.gz VZJZSLYFDAGKSC-LSDHHAIUSA-N 1 3 353.304 2.353 20 0 FEADHO CN(C)C[C@H](NC(=S)NCC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000806594768 674382472 /nfs/dbraw/zinc/38/24/72/674382472.db2.gz QNOKQZOOTOIZRM-KRWDZBQOSA-N 1 3 352.523 2.234 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]C2CCC(CS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000556064382 674386774 /nfs/dbraw/zinc/38/67/74/674386774.db2.gz YOJMIDXHYRNMSE-MRLCAUJQSA-N 1 3 360.564 2.069 20 0 FEADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCN(C2CC2)C1 ZINC000604182233 568220076 /nfs/dbraw/zinc/22/00/76/568220076.db2.gz ACWXEJKZOSBPIR-LJQANCHMSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(N[C@@H]1CCN(C2CC2)C1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000604168342 568220703 /nfs/dbraw/zinc/22/07/03/568220703.db2.gz LYMCIECEGFOEPG-LJQANCHMSA-N 1 3 356.514 2.229 20 0 FEADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000604184216 568222388 /nfs/dbraw/zinc/22/23/88/568222388.db2.gz JIEOXSAZJAYYBD-RBUKOAKNSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000604184216 568222389 /nfs/dbraw/zinc/22/23/89/568222389.db2.gz JIEOXSAZJAYYBD-RBUKOAKNSA-N 1 3 356.514 2.435 20 0 FEADHO CC1CCN(C[C@@H](O)C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000563142065 568295982 /nfs/dbraw/zinc/29/59/82/568295982.db2.gz LFNLCHMUINPWBD-KRWDZBQOSA-N 1 3 353.894 2.351 20 0 FEADHO C[NH+]1CCC(n2cc(NC(=O)NC[C@@H]3CCCCN3C3CC3)cn2)CC1 ZINC000637091904 568363258 /nfs/dbraw/zinc/36/32/58/568363258.db2.gz TUTINYFBLNGMKA-SFHVURJKSA-N 1 3 360.506 2.288 20 0 FEADHO C[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1ccc(Br)cc1 ZINC000629564437 676859802 /nfs/dbraw/zinc/85/98/02/676859802.db2.gz KHSADJQELYMJOH-UKRRQHHQSA-N 1 3 357.292 2.263 20 0 FEADHO COc1cc(-c2nnn[n-]2)ccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000826168284 608358434 /nfs/dbraw/zinc/35/84/34/608358434.db2.gz ISRFCXAQQUDSID-UHFFFAOYSA-N 1 3 358.490 2.428 20 0 FEADHO COc1cc(-c2nnn[n-]2)ccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000826168284 608358436 /nfs/dbraw/zinc/35/84/36/608358436.db2.gz ISRFCXAQQUDSID-UHFFFAOYSA-N 1 3 358.490 2.428 20 0 FEADHO CC[C@H](NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)[C@H]1CCCC[NH2+]1 ZINC000562956768 674827445 /nfs/dbraw/zinc/82/74/45/674827445.db2.gz FPIYZOLXQXLHLY-OWCLPIDISA-N 1 3 371.572 2.269 20 0 FEADHO COCCC[NH+]1CCC(NC[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000562988928 674831533 /nfs/dbraw/zinc/83/15/33/674831533.db2.gz DGGMCPPUOPZRRJ-QGZVFWFLSA-N 1 3 356.894 2.170 20 0 FEADHO CCC[N@H+](CCN1CCCCCC1)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000574551069 671253350 /nfs/dbraw/zinc/25/33/50/671253350.db2.gz FWQBYHHFXYFOMM-HSALFYBXSA-N 1 3 355.567 2.045 20 0 FEADHO CCC[N@@H+](CCN1CCCCCC1)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000574551069 671253352 /nfs/dbraw/zinc/25/33/52/671253352.db2.gz FWQBYHHFXYFOMM-HSALFYBXSA-N 1 3 355.567 2.045 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C(C)C)C(C)(C)O)CC2)CC1 ZINC000574821343 671279588 /nfs/dbraw/zinc/27/95/88/671279588.db2.gz DVUYEFXFUIAQRP-SFHVURJKSA-N 1 3 353.551 2.094 20 0 FEADHO CN1CCN([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c2cccs2)CC1 ZINC000577049350 671413036 /nfs/dbraw/zinc/41/30/36/671413036.db2.gz SUUDPEZAMTUBED-ZSYWTGECSA-N 1 3 362.587 2.499 20 0 FEADHO CN1CCN([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c2cccs2)CC1 ZINC000577049350 671413037 /nfs/dbraw/zinc/41/30/37/671413037.db2.gz SUUDPEZAMTUBED-ZSYWTGECSA-N 1 3 362.587 2.499 20 0 FEADHO [NH3+]C[C@@H](NC(=O)NCC1(N2CCSCC2)CCCC1)C1CCCC1 ZINC000581932808 671951095 /nfs/dbraw/zinc/95/10/95/671951095.db2.gz IPGVKPUNTAEMFW-MRXNPFEDSA-N 1 3 354.564 2.165 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000583390163 672090478 /nfs/dbraw/zinc/09/04/78/672090478.db2.gz HHJSLYQZKFPJQS-HOTGVXAUSA-N 1 3 351.535 2.255 20 0 FEADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000583810345 672128361 /nfs/dbraw/zinc/12/83/61/672128361.db2.gz IFNXVEDMHDAADU-KDOFPFPSSA-N 1 3 365.905 2.297 20 0 FEADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000583921350 672139381 /nfs/dbraw/zinc/13/93/81/672139381.db2.gz QYVSZBWGUZQXJW-QSFCEBDXSA-N 1 3 362.440 2.218 20 0 FEADHO Cc1ccc(C)c(OC[C@@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000584717209 672208939 /nfs/dbraw/zinc/20/89/39/672208939.db2.gz UAGZDTCPPFPFOW-OALUTQOASA-N 1 3 350.503 2.134 20 0 FEADHO Cc1ccc(C)c(OC[C@@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000584717209 672208943 /nfs/dbraw/zinc/20/89/43/672208943.db2.gz UAGZDTCPPFPFOW-OALUTQOASA-N 1 3 350.503 2.134 20 0 FEADHO C[C@H](CN[C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1)[NH+](C)C ZINC000680338504 672566441 /nfs/dbraw/zinc/56/64/41/672566441.db2.gz IIKSEAPTFHRYKE-KDOFPFPSSA-N 1 3 366.937 2.118 20 0 FEADHO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000715557522 673073833 /nfs/dbraw/zinc/07/38/33/673073833.db2.gz JNPLUQBHVZPNMS-HZMVEIRTSA-N 1 3 355.523 2.473 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000715557522 673073834 /nfs/dbraw/zinc/07/38/34/673073834.db2.gz JNPLUQBHVZPNMS-HZMVEIRTSA-N 1 3 355.523 2.473 20 0 FEADHO CN1CCC(NC(=S)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000728453868 673201751 /nfs/dbraw/zinc/20/17/51/673201751.db2.gz QDMHVSGMSRKBKI-SFHVURJKSA-N 1 3 360.571 2.109 20 0 FEADHO CN1CCC(NC(=S)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000728453868 673201753 /nfs/dbraw/zinc/20/17/53/673201753.db2.gz QDMHVSGMSRKBKI-SFHVURJKSA-N 1 3 360.571 2.109 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000597055585 673443328 /nfs/dbraw/zinc/44/33/28/673443328.db2.gz LNPAWPKDPNZDLO-OAHLLOKOSA-N 1 3 367.921 2.490 20 0 FEADHO COC(=O)[C@@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000599656924 673702674 /nfs/dbraw/zinc/70/26/74/673702674.db2.gz WBQUPMJBBRAXIG-QRVBRYPASA-N 1 3 351.535 2.066 20 0 FEADHO COC(=O)[C@@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000599656924 673702678 /nfs/dbraw/zinc/70/26/78/673702678.db2.gz WBQUPMJBBRAXIG-QRVBRYPASA-N 1 3 351.535 2.066 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3CCCCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000566296370 675201589 /nfs/dbraw/zinc/20/15/89/675201589.db2.gz ISNBSZSDSUAJND-ZHALLVOQSA-N 1 3 351.535 2.257 20 0 FEADHO CSC1(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[NH+](C)CC1 ZINC000567291737 675281698 /nfs/dbraw/zinc/28/16/98/675281698.db2.gz OTMUAGJLVJHQAM-KRWDZBQOSA-N 1 3 364.559 2.416 20 0 FEADHO C[NH+]1CCC(O)(CNCc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000608384210 675889736 /nfs/dbraw/zinc/88/97/36/675889736.db2.gz JQEPUVCLTSBDRY-QGZVFWFLSA-N 1 3 368.905 2.444 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1ccc(F)c(F)c1 ZINC000617504649 676288686 /nfs/dbraw/zinc/28/86/86/676288686.db2.gz DDVKWWOCBDQPCP-KBPBESRZSA-N 1 3 357.445 2.120 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1ccc(F)c(F)c1 ZINC000617504649 676288688 /nfs/dbraw/zinc/28/86/88/676288688.db2.gz DDVKWWOCBDQPCP-KBPBESRZSA-N 1 3 357.445 2.120 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)N(C)C)cc1 ZINC000627045642 676736642 /nfs/dbraw/zinc/73/66/42/676736642.db2.gz PXJQDLFEGPIXKT-QRTARXTBSA-N 1 3 350.532 2.451 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000628051749 676787057 /nfs/dbraw/zinc/78/70/57/676787057.db2.gz OBCUANXJQMLEGG-ZDUSSCGKSA-N 1 3 360.424 2.031 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000628051749 676787058 /nfs/dbraw/zinc/78/70/58/676787058.db2.gz OBCUANXJQMLEGG-ZDUSSCGKSA-N 1 3 360.424 2.031 20 0 FEADHO CCN(CC)[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)c1ccsc1 ZINC000630734321 676919606 /nfs/dbraw/zinc/91/96/06/676919606.db2.gz XZFUNFCMXOTMCL-QGZVFWFLSA-N 1 3 363.531 2.319 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)Cc3scnc3C)C2)CC[N@@H+]1C ZINC000632633952 677006721 /nfs/dbraw/zinc/00/67/21/677006721.db2.gz DVXQSTRKSOUAMB-YESZJQIVSA-N 1 3 364.559 2.462 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CN(C)Cc3scnc3C)C2)CC[N@H+]1C ZINC000632633952 677006723 /nfs/dbraw/zinc/00/67/23/677006723.db2.gz DVXQSTRKSOUAMB-YESZJQIVSA-N 1 3 364.559 2.462 20 0 FEADHO [NH3+][C@@H](CC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)C1CC1 ZINC000830026512 677022353 /nfs/dbraw/zinc/02/23/53/677022353.db2.gz LOKIJQHNCKERRW-SFHVURJKSA-N 1 3 365.905 2.427 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000638727212 677149447 /nfs/dbraw/zinc/14/94/47/677149447.db2.gz GGEGPYXKSVCWHV-GOSISDBHSA-N 1 3 351.535 2.388 20 0 FEADHO C[NH+]1CCC2(CCN(CC(=O)NCCc3c(F)cccc3F)C2)CC1 ZINC000639758986 677165236 /nfs/dbraw/zinc/16/52/36/677165236.db2.gz ZFKKIDGFDMNLFN-UHFFFAOYSA-N 1 3 351.441 2.041 20 0 FEADHO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Nc1ccnn1CCN(C)C ZINC000640170418 677174644 /nfs/dbraw/zinc/17/46/44/677174644.db2.gz BFUBMDGMNKXSQZ-JKSUJKDBSA-N 1 3 350.511 2.029 20 0 FEADHO Fc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000643462818 677226860 /nfs/dbraw/zinc/22/68/60/677226860.db2.gz LRIBTPJREXVNDK-CWLKWCNXSA-N 1 3 351.441 2.290 20 0 FEADHO Fc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000643462819 677226896 /nfs/dbraw/zinc/22/68/96/677226896.db2.gz LRIBTPJREXVNDK-UOVPBQLFSA-N 1 3 351.441 2.290 20 0 FEADHO C[C@H]1CCC[N@H+](CCCCNCc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647171181 677296830 /nfs/dbraw/zinc/29/68/30/677296830.db2.gz BXRVPXIJULWFCV-AWEZNQCLSA-N 1 3 357.495 2.075 20 0 FEADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647171181 677296831 /nfs/dbraw/zinc/29/68/31/677296831.db2.gz BXRVPXIJULWFCV-AWEZNQCLSA-N 1 3 357.495 2.075 20 0 FEADHO C[NH2+]C[C@@](C)(O)CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000652338737 677479940 /nfs/dbraw/zinc/47/99/40/677479940.db2.gz WNKFHUULBQFPJN-QGZVFWFLSA-N 1 3 359.436 2.184 20 0 FEADHO CC1CCC(N(C)C(=O)CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652346640 677480839 /nfs/dbraw/zinc/48/08/39/677480839.db2.gz CFPVXKOAQUVGGT-BPJBSSMVSA-N 1 3 351.535 2.242 20 0 FEADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348271 677480978 /nfs/dbraw/zinc/48/09/78/677480978.db2.gz ZOEMPCKNEUALTI-IGTJHMGCSA-N 1 3 351.535 2.288 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)[C@H]3CCCCO3)CC2)CC1 ZINC000654985596 677616371 /nfs/dbraw/zinc/61/63/71/677616371.db2.gz AVHCCAQZOQTGSG-VQIMIIECSA-N 1 3 351.535 2.257 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@]4(CC4(F)F)C3)CC2)CC1 ZINC000655166796 677626822 /nfs/dbraw/zinc/62/68/22/677626822.db2.gz LVMBLLSZQOLNGA-GOSISDBHSA-N 1 3 355.473 2.440 20 0 FEADHO CN(C)S(=O)(=O)c1cccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662294764 678601117 /nfs/dbraw/zinc/60/11/17/678601117.db2.gz MUCTXTULFIQJSY-SFHVURJKSA-N 1 3 365.543 2.149 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1COc2c1cccc2Cl ZINC000664406903 678874591 /nfs/dbraw/zinc/87/45/91/678874591.db2.gz HKUDRBONVLILFM-BBRMVZONSA-N 1 3 368.909 2.345 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1COc2c1cccc2Cl ZINC000664406903 678874592 /nfs/dbraw/zinc/87/45/92/678874592.db2.gz HKUDRBONVLILFM-BBRMVZONSA-N 1 3 368.909 2.345 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(CCC[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000981199993 680220942 /nfs/dbraw/zinc/22/09/42/680220942.db2.gz IGDZXYLIVUQVLV-GBESFXJTSA-N 1 3 351.535 2.068 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(CCC[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000981199993 680220944 /nfs/dbraw/zinc/22/09/44/680220944.db2.gz IGDZXYLIVUQVLV-GBESFXJTSA-N 1 3 351.535 2.068 20 0 FEADHO Cc1nc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sc1C ZINC001026852913 680350717 /nfs/dbraw/zinc/35/07/17/680350717.db2.gz TWFHPSSRWRNBLY-VNQPRFMTSA-N 1 3 350.532 2.038 20 0 FEADHO Cc1nc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sc1C ZINC001026852913 680350720 /nfs/dbraw/zinc/35/07/20/680350720.db2.gz TWFHPSSRWRNBLY-VNQPRFMTSA-N 1 3 350.532 2.038 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNCc3csc(C)n3)C2)CC[N@@H+]1C ZINC001026855574 680351716 /nfs/dbraw/zinc/35/17/16/680351716.db2.gz JVFVRWDBENGWEA-HYVNUMGLSA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNCc3csc(C)n3)C2)CC[N@H+]1C ZINC001026855574 680351720 /nfs/dbraw/zinc/35/17/20/680351720.db2.gz JVFVRWDBENGWEA-HYVNUMGLSA-N 1 3 350.532 2.120 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3ccc(F)c(F)c3)C2)CC[N@@H+]1C ZINC000999189942 680397956 /nfs/dbraw/zinc/39/79/56/680397956.db2.gz ORBMRGKMQMGQKX-VNQPRFMTSA-N 1 3 351.441 2.386 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3ccc(F)c(F)c3)C2)CC[N@H+]1C ZINC000999189942 680397960 /nfs/dbraw/zinc/39/79/60/680397960.db2.gz ORBMRGKMQMGQKX-VNQPRFMTSA-N 1 3 351.441 2.386 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(CCc3ccns3)CC2)CC[N@@H+]1C ZINC001001423516 680461652 /nfs/dbraw/zinc/46/16/52/680461652.db2.gz BOUPLVRXZHMWAQ-ZWKOTPCHSA-N 1 3 364.559 2.244 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NCC2CCN(CCc3ccns3)CC2)CC[N@H+]1C ZINC001001423516 680461656 /nfs/dbraw/zinc/46/16/56/680461656.db2.gz BOUPLVRXZHMWAQ-ZWKOTPCHSA-N 1 3 364.559 2.244 20 0 FEADHO CN(C)[C@H](CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000874429634 685387560 /nfs/dbraw/zinc/38/75/60/685387560.db2.gz LZRCSQMKQBUWTQ-RRFJBIMHSA-N 1 3 358.408 2.068 20 0 FEADHO COCC[N@H+](C)C[C@H](O)CN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000846851026 681298546 /nfs/dbraw/zinc/29/85/46/681298546.db2.gz AKTSVSYWPDKQAC-RDJZCZTQSA-N 1 3 360.420 2.434 20 0 FEADHO COCC[N@@H+](C)C[C@H](O)CN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000846851026 681298550 /nfs/dbraw/zinc/29/85/50/681298550.db2.gz AKTSVSYWPDKQAC-RDJZCZTQSA-N 1 3 360.420 2.434 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNc1ccc(C(F)(F)F)cn1 ZINC000849059698 681648540 /nfs/dbraw/zinc/64/85/40/681648540.db2.gz DWAYLZYNGPVEAJ-CYBMUJFWSA-N 1 3 358.412 2.111 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCC(NCc3cnns3)CC2)CC[N@@H+]1C ZINC000963344925 682139114 /nfs/dbraw/zinc/13/91/14/682139114.db2.gz YHQICHJTLIWDIX-YQEWQEHLSA-N 1 3 365.547 2.128 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCC(NCc3cnns3)CC2)CC[N@H+]1C ZINC000963344925 682139116 /nfs/dbraw/zinc/13/91/16/682139116.db2.gz YHQICHJTLIWDIX-YQEWQEHLSA-N 1 3 365.547 2.128 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000789396401 682600706 /nfs/dbraw/zinc/60/07/06/682600706.db2.gz VBBAEISBUMHEHK-AEFFLSMTSA-N 1 3 364.559 2.246 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000789396401 682600710 /nfs/dbraw/zinc/60/07/10/682600710.db2.gz VBBAEISBUMHEHK-AEFFLSMTSA-N 1 3 364.559 2.246 20 0 FEADHO CN1CC[C@H]([NH2+]CCOCCCNC(=O)OC(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000858532939 682977650 /nfs/dbraw/zinc/97/76/50/682977650.db2.gz OUHKVIZKKBWLAD-IKGGRYGDSA-N 1 3 355.523 2.380 20 0 FEADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000796647980 683180864 /nfs/dbraw/zinc/18/08/64/683180864.db2.gz GOGJMXMLRFLMIG-QBPKDAKJSA-N 1 3 355.523 2.067 20 0 FEADHO CN1CC[C@@H](CNC(=O)NC[C@H]2CC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000921702532 683549560 /nfs/dbraw/zinc/54/95/60/683549560.db2.gz KJXUNIDRVHICRD-VBQJREDUSA-N 1 3 368.884 2.475 20 0 FEADHO CN1CC[C@@H](CNC(=O)NC[C@H]2CC[N@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000921702532 683549561 /nfs/dbraw/zinc/54/95/61/683549561.db2.gz KJXUNIDRVHICRD-VBQJREDUSA-N 1 3 368.884 2.475 20 0 FEADHO C[C@@H](NCC[N@@H+]1CCCC1(C)C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862391938 683583062 /nfs/dbraw/zinc/58/30/62/683583062.db2.gz XKNFBTKZKWPJGM-HZPDHXFCSA-N 1 3 355.523 2.475 20 0 FEADHO C[C@@H](NCC[N@H+]1CCCC1(C)C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862391938 683583070 /nfs/dbraw/zinc/58/30/70/683583070.db2.gz XKNFBTKZKWPJGM-HZPDHXFCSA-N 1 3 355.523 2.475 20 0 FEADHO CC(C)(C)OC(=O)N1CCO[C@](C)(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000922788364 683783231 /nfs/dbraw/zinc/78/32/31/683783231.db2.gz VZIOPGYLZHCIGR-TXPKVOOTSA-N 1 3 353.507 2.229 20 0 FEADHO CC(C)(C)OC(=O)N1CCO[C@](C)(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000922788364 683783237 /nfs/dbraw/zinc/78/32/37/683783237.db2.gz VZIOPGYLZHCIGR-TXPKVOOTSA-N 1 3 353.507 2.229 20 0 FEADHO [NH3+]CC[C@H]1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000923480128 684287516 /nfs/dbraw/zinc/28/75/16/684287516.db2.gz VTTOEWGAFOADTN-NHYWBVRUSA-N 1 3 352.276 2.373 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2C[C@H]([NH3+])C23CCC3)s1 ZINC000925489236 684565507 /nfs/dbraw/zinc/56/55/07/684565507.db2.gz JLABBAKIZKDGFH-GJZGRUSLSA-N 1 3 371.572 2.181 20 0 FEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1cccc(OC)c1 ZINC000876715260 686251065 /nfs/dbraw/zinc/25/10/65/686251065.db2.gz IVFHHJNMQZSLJG-XHSDSOJGSA-N 1 3 355.429 2.034 20 0 FEADHO O=C(Nc1ccc2c(c1)OCCNC2)c1csc(C2CC[NH2+]CC2)n1 ZINC000877055764 686319657 /nfs/dbraw/zinc/31/96/57/686319657.db2.gz VEOVXHVPBLJRBH-UHFFFAOYSA-N 1 3 358.467 2.344 20 0 FEADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC[C@H]1CC1(Cl)Cl ZINC000877120292 686328306 /nfs/dbraw/zinc/32/83/06/686328306.db2.gz FZLQNKFRJVFBRB-CABCVRRESA-N 1 3 358.313 2.059 20 0 FEADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000877258323 686344311 /nfs/dbraw/zinc/34/43/11/686344311.db2.gz MPOFFGZAPNRJCR-IBGZPJMESA-N 1 3 351.535 2.245 20 0 FEADHO COC[C@]1(C(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CCCCN1 ZINC000877443567 686378093 /nfs/dbraw/zinc/37/80/93/686378093.db2.gz GCYDMCPEBUQZGO-KPFFTGBYSA-N 1 3 351.535 2.291 20 0 FEADHO C[NH+](C)C[C@@H]1CN(Cc2cccc([O-])c2Br)C[C@H]1C[NH+](C)C ZINC000877669833 686433742 /nfs/dbraw/zinc/43/37/42/686433742.db2.gz AYSOPGHNLRUZBB-HUUCEWRRSA-N 1 3 370.335 2.326 20 0 FEADHO C[C@@H]1CC[C@H](CO)N1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000880442057 687049670 /nfs/dbraw/zinc/04/96/70/687049670.db2.gz QDXBFHOHCAGNJE-CRAIPNDOSA-N 1 3 363.527 2.019 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)Cc2ccccc2F)[C@@H](C)C1 ZINC000886672424 688288489 /nfs/dbraw/zinc/28/84/89/688288489.db2.gz OHPQRSNURWHELV-QRFRQXIXSA-N 1 3 352.494 2.456 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)Cc2ccccc2F)[C@@H](C)C1 ZINC000886672424 688288493 /nfs/dbraw/zinc/28/84/93/688288493.db2.gz OHPQRSNURWHELV-QRFRQXIXSA-N 1 3 352.494 2.456 20 0 FEADHO C[NH+]1CCC(CN2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)CC1 ZINC000892000566 689137819 /nfs/dbraw/zinc/13/78/19/689137819.db2.gz DGWGJEVLZXDUJT-LJQANCHMSA-N 1 3 351.922 2.333 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892599171 689217139 /nfs/dbraw/zinc/21/71/39/689217139.db2.gz PNUYQEHNLKLJGU-MUJYYYPQSA-N 1 3 350.532 2.352 20 0 FEADHO COC(=O)c1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)[nH]c1C(C)C ZINC000894659977 689574491 /nfs/dbraw/zinc/57/44/91/689574491.db2.gz GITSKGXDKWZIRM-UHFFFAOYSA-N 1 3 350.507 2.040 20 0 FEADHO CN1C[C@@H]2C[N@H+](C[C@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000897620670 690051244 /nfs/dbraw/zinc/05/12/44/690051244.db2.gz UTUROAWVMDDWAQ-VCBZYWHSSA-N 1 3 353.507 2.242 20 0 FEADHO CN1C[C@@H]2C[N@@H+](C[C@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000897620670 690051248 /nfs/dbraw/zinc/05/12/48/690051248.db2.gz UTUROAWVMDDWAQ-VCBZYWHSSA-N 1 3 353.507 2.242 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4CSC[C@@H]4C3)CC2)CC1 ZINC000899381854 690342470 /nfs/dbraw/zinc/34/24/70/690342470.db2.gz YSBIDLICZUKVHH-CALCHBBNSA-N 1 3 351.560 2.004 20 0 FEADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903450447 690894814 /nfs/dbraw/zinc/89/48/14/690894814.db2.gz WEOOZODMOAGMFO-JFIYKMOQSA-N 1 3 351.441 2.355 20 0 FEADHO O=C(CCN1CC[NH2+]CCC12CCOCC2)NCc1ccccc1Cl ZINC000903814646 690974755 /nfs/dbraw/zinc/97/47/55/690974755.db2.gz FZOIUQHETUFNND-UHFFFAOYSA-N 1 3 365.905 2.191 20 0 FEADHO CC(C)(C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1CCCCC1 ZINC000907047727 691379911 /nfs/dbraw/zinc/37/99/11/691379911.db2.gz RLEGMGHGKVNKOE-ROUUACIJSA-N 1 3 351.535 2.135 20 0 FEADHO Cn1cc(CN2CC[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)C[C@H]3C2)cn1 ZINC001164762607 721167024 /nfs/dbraw/zinc/16/70/24/721167024.db2.gz CZOTYRJYSFAOFD-RBUKOAKNSA-N 1 3 366.513 2.374 20 0 FEADHO c1cncc(C[N@@H+]2CCC3(C2)CCN(c2cc4c(nn2)CCNC4)CC3)c1 ZINC001164955932 722020136 /nfs/dbraw/zinc/02/01/36/722020136.db2.gz ULVRQCPQIVHXKP-UHFFFAOYSA-N 1 3 364.497 2.010 20 0 FEADHO c1cncc(C[N@H+]2CCC3(C2)CCN(c2cc4c(nn2)CCNC4)CC3)c1 ZINC001164955932 722020139 /nfs/dbraw/zinc/02/01/39/722020139.db2.gz ULVRQCPQIVHXKP-UHFFFAOYSA-N 1 3 364.497 2.010 20 0 FEADHO CN(C)Cc1ccnc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@H]32)c1 ZINC001164958920 722051155 /nfs/dbraw/zinc/05/11/55/722051155.db2.gz HRSNBPRVJFZJDR-DBXWQHBBSA-N 1 3 367.497 2.443 20 0 FEADHO O=C(OCCC[NH+]1CCCC1)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000800147025 674025820 /nfs/dbraw/zinc/02/58/20/674025820.db2.gz LZXDQJRFFCLDSX-CQSZACIVSA-N 1 3 352.381 2.347 20 0 FEADHO CCNC(=O)COc1ccc(C[NH2+]C[C@H]2CCCN(CC)C2)cc1OC ZINC000063917643 541191528 /nfs/dbraw/zinc/19/15/28/541191528.db2.gz MAGOOZXRGSSKIR-QGZVFWFLSA-N 1 3 363.502 2.032 20 0 FEADHO CCN1CCN(CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063744570 541182863 /nfs/dbraw/zinc/18/28/63/541182863.db2.gz IMMCREJMXWUQOL-UHFFFAOYSA-N 1 3 372.557 2.042 20 0 FEADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000072860329 541882760 /nfs/dbraw/zinc/88/27/60/541882760.db2.gz HPJIPHVESWULRJ-QGZVFWFLSA-N 1 3 372.513 2.416 20 0 FEADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000072860329 541882763 /nfs/dbraw/zinc/88/27/63/541882763.db2.gz HPJIPHVESWULRJ-QGZVFWFLSA-N 1 3 372.513 2.416 20 0 FEADHO C[NH+](C)Cc1cccc(CNC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000072859630 541883359 /nfs/dbraw/zinc/88/33/59/541883359.db2.gz BEGNMPWKHPKODN-UHFFFAOYSA-N 1 3 359.514 2.400 20 0 FEADHO Cn1c2ccc(C[NH2+]C3CCN([C@H]4CCC[C@@H]4O)CC3)cc2sc1=O ZINC000551231849 674132816 /nfs/dbraw/zinc/13/28/16/674132816.db2.gz HIGFHQVKPWOPDI-RDJZCZTQSA-N 1 3 361.511 2.067 20 0 FEADHO COc1cc(OC)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000075414457 542178308 /nfs/dbraw/zinc/17/83/08/542178308.db2.gz NLDVYJJKKIVNMP-UHFFFAOYSA-N 1 3 372.897 2.314 20 0 FEADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000077457996 542385077 /nfs/dbraw/zinc/38/50/77/542385077.db2.gz KQIASQGZEQRGJE-AEFFLSMTSA-N 1 3 354.516 2.072 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000077754498 542416279 /nfs/dbraw/zinc/41/62/79/542416279.db2.gz CUJGAVWJTZYRCG-HXUWFJFHSA-N 1 3 369.513 2.306 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000077776145 542419345 /nfs/dbraw/zinc/41/93/45/542419345.db2.gz MEUQIMYOKGJVQM-MRXNPFEDSA-N 1 3 368.522 2.497 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1cccc(Br)c1 ZINC000103211779 543097397 /nfs/dbraw/zinc/09/73/97/543097397.db2.gz QBCZSSLTMPPIAT-UHFFFAOYSA-N 1 3 370.335 2.334 20 0 FEADHO COCCN(C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000111508366 543405474 /nfs/dbraw/zinc/40/54/74/543405474.db2.gz FSYNITQSKAELMH-IHWFROFDSA-N 1 3 374.529 2.059 20 0 FEADHO COCCN(C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000111508366 543405476 /nfs/dbraw/zinc/40/54/76/543405476.db2.gz FSYNITQSKAELMH-IHWFROFDSA-N 1 3 374.529 2.059 20 0 FEADHO C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)C1(S(C)(=O)=O)CC1 ZINC000552097508 674187227 /nfs/dbraw/zinc/18/72/27/674187227.db2.gz DOJSRSSFUFQHOJ-LSDHHAIUSA-N 1 3 354.516 2.243 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000125564185 543889155 /nfs/dbraw/zinc/88/91/55/543889155.db2.gz RAPNJSXRPBZIGF-GOSISDBHSA-N 1 3 372.513 2.059 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000125564185 543889158 /nfs/dbraw/zinc/88/91/58/543889158.db2.gz RAPNJSXRPBZIGF-GOSISDBHSA-N 1 3 372.513 2.059 20 0 FEADHO COc1cc(C)c([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1OC ZINC000127980837 544025106 /nfs/dbraw/zinc/02/51/06/544025106.db2.gz QAPNASMMPQQTSA-HOTGVXAUSA-N 1 3 363.502 2.250 20 0 FEADHO CCc1nc2c(s1)[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)CCC2 ZINC000128067887 544030834 /nfs/dbraw/zinc/03/08/34/544030834.db2.gz GTFPQUANZODNFX-KBPBESRZSA-N 1 3 350.532 2.260 20 0 FEADHO C[C@H]1C[C@H](NCCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000130113670 544139314 /nfs/dbraw/zinc/13/93/14/544139314.db2.gz KSQKXRLBNHAZDD-SWLSCSKDSA-N 1 3 354.292 2.251 20 0 FEADHO C[C@H]1C[C@H](NCCNC(=O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000130113670 544139315 /nfs/dbraw/zinc/13/93/15/544139315.db2.gz KSQKXRLBNHAZDD-SWLSCSKDSA-N 1 3 354.292 2.251 20 0 FEADHO CC[N@@H+]1CC[C@H](NCCNC(=O)c2ccc(Br)cc2)[C@H](C)C1 ZINC000130123948 544139791 /nfs/dbraw/zinc/13/97/91/544139791.db2.gz ANWPBTSJXJLKNX-CJNGLKHVSA-N 1 3 368.319 2.499 20 0 FEADHO CC[N@H+]1CC[C@H](NCCNC(=O)c2ccc(Br)cc2)[C@H](C)C1 ZINC000130123948 544139793 /nfs/dbraw/zinc/13/97/93/544139793.db2.gz ANWPBTSJXJLKNX-CJNGLKHVSA-N 1 3 368.319 2.499 20 0 FEADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000132127803 544220247 /nfs/dbraw/zinc/22/02/47/544220247.db2.gz KVBBJFPDCDCKTP-OAHLLOKOSA-N 1 3 353.532 2.465 20 0 FEADHO CCC[C@H](C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)N(C)C ZINC000133781107 544283374 /nfs/dbraw/zinc/28/33/74/544283374.db2.gz RPOSPVKGAUZDGR-ZHALLVOQSA-N 1 3 353.551 2.455 20 0 FEADHO CC1CCN(CC(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000136249976 544369652 /nfs/dbraw/zinc/36/96/52/544369652.db2.gz KTRYBBRLDONUOI-HDICACEKSA-N 1 3 351.535 2.066 20 0 FEADHO CC1CCN(CC(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000136249976 544369655 /nfs/dbraw/zinc/36/96/55/544369655.db2.gz KTRYBBRLDONUOI-HDICACEKSA-N 1 3 351.535 2.066 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000137228100 544386894 /nfs/dbraw/zinc/38/68/94/544386894.db2.gz PSDZZHGRPQAEBA-OALUTQOASA-N 1 3 359.514 2.202 20 0 FEADHO Cc1c([C@@H](C)NC2CCN(CC[NH+](C)C)CC2)nnn1-c1ccc(F)cc1 ZINC000150979551 544492915 /nfs/dbraw/zinc/49/29/15/544492915.db2.gz MFERQASCHKVQNC-OAHLLOKOSA-N 1 3 374.508 2.391 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CC1(O)CCCC1 ZINC000152158974 544619928 /nfs/dbraw/zinc/61/99/28/544619928.db2.gz CDZWSKRRGUYPEU-GOSISDBHSA-N 1 3 373.541 2.393 20 0 FEADHO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1S(C)(=O)=O ZINC000152423120 544651877 /nfs/dbraw/zinc/65/18/77/544651877.db2.gz VBUXDRCVWVBNKB-KGLIPLIRSA-N 1 3 352.500 2.234 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@@H](C)Cn2cc(Br)cn2)CC1 ZINC000154492531 544912652 /nfs/dbraw/zinc/91/26/52/544912652.db2.gz VLYPRUJIXYMUSF-HNNXBMFYSA-N 1 3 372.355 2.041 20 0 FEADHO CC[N@@H+]1CC[C@H](NCc2cccc(OCCN3CCOCC3)c2)[C@H](C)C1 ZINC000155160134 544997008 /nfs/dbraw/zinc/99/70/08/544997008.db2.gz PWGJNFNIZIAURV-NQIIRXRSSA-N 1 3 361.530 2.218 20 0 FEADHO CC[N@H+]1CC[C@H](NCc2cccc(OCCN3CCOCC3)c2)[C@H](C)C1 ZINC000155160134 544997011 /nfs/dbraw/zinc/99/70/11/544997011.db2.gz PWGJNFNIZIAURV-NQIIRXRSSA-N 1 3 361.530 2.218 20 0 FEADHO CCN1CC[C@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)[C@H](C)C1 ZINC000155160134 544997015 /nfs/dbraw/zinc/99/70/15/544997015.db2.gz PWGJNFNIZIAURV-NQIIRXRSSA-N 1 3 361.530 2.218 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)N(C)C)cc1 ZINC000155013122 544977453 /nfs/dbraw/zinc/97/74/53/544977453.db2.gz QOQMPJKGENZZMX-VQTJNVASSA-N 1 3 359.514 2.357 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)N(C)C)cc1 ZINC000155013122 544977457 /nfs/dbraw/zinc/97/74/57/544977457.db2.gz QOQMPJKGENZZMX-VQTJNVASSA-N 1 3 359.514 2.357 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)c1 ZINC000188215466 328073852 /nfs/dbraw/zinc/07/38/52/328073852.db2.gz JSRUDFFDMLFIFR-UHFFFAOYSA-N 1 3 374.529 2.410 20 0 FEADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1[nH]nc2c1CNCC2 ZINC000188697400 328105175 /nfs/dbraw/zinc/10/51/75/328105175.db2.gz WYVFGIZJBITOJY-UHFFFAOYSA-N 1 3 361.515 2.101 20 0 FEADHO CN(c1ccccc1C[N@H+](C)CC1(O)CCOCC1)C1CCN(C)CC1 ZINC000188834226 328113460 /nfs/dbraw/zinc/11/34/60/328113460.db2.gz AUGVJXPZTRDRBN-UHFFFAOYSA-N 1 3 361.530 2.190 20 0 FEADHO CN(c1ccccc1C[N@@H+](C)CC1(O)CCOCC1)C1CCN(C)CC1 ZINC000188834226 328113462 /nfs/dbraw/zinc/11/34/62/328113462.db2.gz AUGVJXPZTRDRBN-UHFFFAOYSA-N 1 3 361.530 2.190 20 0 FEADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000190842676 328235653 /nfs/dbraw/zinc/23/56/53/328235653.db2.gz LVXRALOEFUMZKS-PMACEKPBSA-N 1 3 374.529 2.013 20 0 FEADHO CCCCN(C)C(=O)C1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000192723792 328335305 /nfs/dbraw/zinc/33/53/05/328335305.db2.gz JZDBBORTDXCUNR-UHFFFAOYSA-N 1 3 366.594 2.373 20 0 FEADHO CCCC(=O)NC[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192730490 328336012 /nfs/dbraw/zinc/33/60/12/328336012.db2.gz ZRKMBYMIEHMVJD-LJQANCHMSA-N 1 3 352.567 2.031 20 0 FEADHO CCCC(=O)NC[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192730490 328336013 /nfs/dbraw/zinc/33/60/13/328336013.db2.gz ZRKMBYMIEHMVJD-LJQANCHMSA-N 1 3 352.567 2.031 20 0 FEADHO C[NH+](C)[C@@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC000077541211 324995094 /nfs/dbraw/zinc/99/50/94/324995094.db2.gz ZNNQMOOSBCKQFQ-FQEVSTJZSA-N 1 3 374.529 2.043 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@]3(C)CCCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000237402190 328515014 /nfs/dbraw/zinc/51/50/14/328515014.db2.gz KQCJBDQHCBEJGX-HLIPFELVSA-N 1 3 351.535 2.257 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000089461041 325317229 /nfs/dbraw/zinc/31/72/29/325317229.db2.gz RZMCVORSVFDLHG-FQEVSTJZSA-N 1 3 374.529 2.207 20 0 FEADHO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(OCCN(C)C)cc1 ZINC000090882584 325369210 /nfs/dbraw/zinc/36/92/10/325369210.db2.gz ZOBGNPLUCMIRJE-OAHLLOKOSA-N 1 3 354.516 2.102 20 0 FEADHO C[N@@H+]1CCC[C@H]2CN(C(=O)NCC3CCN(c4ccncc4)CC3)CC[C@@H]21 ZINC000091233382 325382128 /nfs/dbraw/zinc/38/21/28/325382128.db2.gz CQLGBNANZCAZPK-ICSRJNTNSA-N 1 3 371.529 2.424 20 0 FEADHO C[N@H+]1CCC[C@H]2CN(C(=O)NCC3CCN(c4ccncc4)CC3)CC[C@@H]21 ZINC000091233382 325382130 /nfs/dbraw/zinc/38/21/30/325382130.db2.gz CQLGBNANZCAZPK-ICSRJNTNSA-N 1 3 371.529 2.424 20 0 FEADHO [NH3+][C@@H]1CC[C@H](C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000237959504 328535816 /nfs/dbraw/zinc/53/58/16/328535816.db2.gz CREHKYSZWJOLDM-RBUKOAKNSA-N 1 3 359.514 2.301 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119091901 326126460 /nfs/dbraw/zinc/12/64/60/326126460.db2.gz UHZJIBPPTKTBSN-UHFFFAOYSA-N 1 3 361.534 2.275 20 0 FEADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCOCC2CC2)CC1 ZINC000120259962 326244727 /nfs/dbraw/zinc/24/47/27/326244727.db2.gz SVBNDXVOQLZPQR-UHFFFAOYSA-N 1 3 351.535 2.117 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1COc2ccc(C)cc21 ZINC000120976300 326303704 /nfs/dbraw/zinc/30/37/04/326303704.db2.gz HTOCEDDSCBVCFX-PKOBYXMFSA-N 1 3 374.529 2.486 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1COc2ccc(C)cc21 ZINC000120976300 326303705 /nfs/dbraw/zinc/30/37/05/326303705.db2.gz HTOCEDDSCBVCFX-PKOBYXMFSA-N 1 3 374.529 2.486 20 0 FEADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000121090919 326312703 /nfs/dbraw/zinc/31/27/03/326312703.db2.gz MOCTZZKCXBHMBJ-INIZCTEOSA-N 1 3 360.502 2.370 20 0 FEADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000121090919 326312704 /nfs/dbraw/zinc/31/27/04/326312704.db2.gz MOCTZZKCXBHMBJ-INIZCTEOSA-N 1 3 360.502 2.370 20 0 FEADHO O=c1n2ccccc2nn1CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121801515 326368313 /nfs/dbraw/zinc/36/83/13/326368313.db2.gz IXBCWLYGDLVVQR-UHFFFAOYSA-N 1 3 357.502 2.084 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000154281663 326755736 /nfs/dbraw/zinc/75/57/36/326755736.db2.gz VIHULBHSUDSNQU-SFHVURJKSA-N 1 3 358.530 2.492 20 0 FEADHO COc1cccc(CC(=O)N2CCC([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)c1 ZINC000166408724 327081737 /nfs/dbraw/zinc/08/17/37/327081737.db2.gz TUWGNCOIPMBJCX-VQTJNVASSA-N 1 3 371.525 2.445 20 0 FEADHO COc1cccc(CC(=O)N2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166408724 327081738 /nfs/dbraw/zinc/08/17/38/327081738.db2.gz TUWGNCOIPMBJCX-VQTJNVASSA-N 1 3 371.525 2.445 20 0 FEADHO COc1cccc(CC(=O)N2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166408724 327081739 /nfs/dbraw/zinc/08/17/39/327081739.db2.gz TUWGNCOIPMBJCX-VQTJNVASSA-N 1 3 371.525 2.445 20 0 FEADHO [NH3+]Cc1ccc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)cc1 ZINC000167416429 327084958 /nfs/dbraw/zinc/08/49/58/327084958.db2.gz VNLFVPJRPNTMAO-UHFFFAOYSA-N 1 3 353.466 2.032 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000171036560 327113746 /nfs/dbraw/zinc/11/37/46/327113746.db2.gz HLHJNUCKDXLQFC-GOSISDBHSA-N 1 3 360.502 2.007 20 0 FEADHO CN1CCC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000171191920 327123618 /nfs/dbraw/zinc/12/36/18/327123618.db2.gz PWGQESHPVMFNGA-MRXNPFEDSA-N 1 3 350.532 2.354 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000173298422 327248392 /nfs/dbraw/zinc/24/83/92/327248392.db2.gz MBUIOHZUJGROCF-FXAWDEMLSA-N 1 3 361.530 2.416 20 0 FEADHO C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)N1CCCCCC1 ZINC000173338947 327250704 /nfs/dbraw/zinc/25/07/04/327250704.db2.gz WIQNOSJPEOXJDT-SFHVURJKSA-N 1 3 351.535 2.402 20 0 FEADHO CCNC(=O)COc1ccc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)cc1OC ZINC000173364957 327252242 /nfs/dbraw/zinc/25/22/42/327252242.db2.gz NOXJQJCNZBRJAQ-RDJZCZTQSA-N 1 3 363.502 2.030 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(OCCN(C)C)cc2)CC[N@@H+]1C ZINC000173754081 327281726 /nfs/dbraw/zinc/28/17/26/327281726.db2.gz RVQNGHKHJBAENP-SJLPKXTDSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(OCCN(C)C)cc2)CC[N@H+]1C ZINC000173754081 327281728 /nfs/dbraw/zinc/28/17/28/327281728.db2.gz RVQNGHKHJBAENP-SJLPKXTDSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCN1C ZINC000173754081 327281729 /nfs/dbraw/zinc/28/17/29/327281729.db2.gz RVQNGHKHJBAENP-SJLPKXTDSA-N 1 3 362.518 2.251 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1COc2ccccc2C1 ZINC000174060022 327304192 /nfs/dbraw/zinc/30/41/92/327304192.db2.gz DIMPXSTWUADBDU-MOPGFXCFSA-N 1 3 374.529 2.048 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1COc2ccccc2C1 ZINC000174060022 327304194 /nfs/dbraw/zinc/30/41/94/327304194.db2.gz DIMPXSTWUADBDU-MOPGFXCFSA-N 1 3 374.529 2.048 20 0 FEADHO C[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174728055 327346445 /nfs/dbraw/zinc/34/64/45/327346445.db2.gz SAJXEWLOEYCBPI-OAHLLOKOSA-N 1 3 352.910 2.236 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000176044791 327430067 /nfs/dbraw/zinc/43/00/67/327430067.db2.gz RKVHHRUHLDTWNV-KRWDZBQOSA-N 1 3 362.518 2.088 20 0 FEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177122922 327498969 /nfs/dbraw/zinc/49/89/69/327498969.db2.gz NHJNHYAWTNCNLL-UHFFFAOYSA-N 1 3 372.513 2.250 20 0 FEADHO COCC1(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC[NH2+]CC1 ZINC000262428991 328865556 /nfs/dbraw/zinc/86/55/56/328865556.db2.gz WGSSWERJFBRPTQ-LJQANCHMSA-N 1 3 359.514 2.264 20 0 FEADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000263199817 328924506 /nfs/dbraw/zinc/92/45/06/328924506.db2.gz IXSAMSHWKSAGPK-NQIIRXRSSA-N 1 3 372.513 2.230 20 0 FEADHO COC[C@@H]1CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000265811343 329162893 /nfs/dbraw/zinc/16/28/93/329162893.db2.gz QBZYICVAROFRSB-IEBWSBKVSA-N 1 3 359.514 2.124 20 0 FEADHO c1c[nH]c(C2CCN(CCOCC[NH+]3CCC(c4ncc[nH]4)CC3)CC2)n1 ZINC000267420228 329325566 /nfs/dbraw/zinc/32/55/66/329325566.db2.gz KJSAXSIOSISNFO-UHFFFAOYSA-N 1 3 372.517 2.208 20 0 FEADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000269679128 329539666 /nfs/dbraw/zinc/53/96/66/329539666.db2.gz RXSQEFHKJKEAHL-KSSFIOAISA-N 1 3 351.466 2.159 20 0 FEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000273542630 329873255 /nfs/dbraw/zinc/87/32/55/329873255.db2.gz UGCHTJGATKRMEJ-KRWDZBQOSA-N 1 3 372.557 2.457 20 0 FEADHO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000274136083 329918891 /nfs/dbraw/zinc/91/88/91/329918891.db2.gz YWKPIVGRXPTZGD-ZIFCJYIRSA-N 1 3 359.514 2.170 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000275418260 330046446 /nfs/dbraw/zinc/04/64/46/330046446.db2.gz HEZOKIPSJZYBJS-MRXNPFEDSA-N 1 3 359.518 2.391 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000276437074 330151611 /nfs/dbraw/zinc/15/16/11/330151611.db2.gz UUWWAZRAEXZQJV-MRXNPFEDSA-N 1 3 372.513 2.234 20 0 FEADHO C[C@H](NC(=O)[C@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000367117373 330218681 /nfs/dbraw/zinc/21/86/81/330218681.db2.gz OLKYOVSIMYOXEO-BBTUJRGHSA-N 1 3 372.557 2.353 20 0 FEADHO COCCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000367158537 330224034 /nfs/dbraw/zinc/22/40/34/330224034.db2.gz SQUYVPVCPGHUSG-LJQANCHMSA-N 1 3 366.550 2.194 20 0 FEADHO COCCN1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000367158537 330224036 /nfs/dbraw/zinc/22/40/36/330224036.db2.gz SQUYVPVCPGHUSG-LJQANCHMSA-N 1 3 366.550 2.194 20 0 FEADHO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000367253031 330236498 /nfs/dbraw/zinc/23/64/98/330236498.db2.gz STJQJPHUFOLCBR-UXHICEINSA-N 1 3 364.578 2.268 20 0 FEADHO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000367253031 330236500 /nfs/dbraw/zinc/23/65/00/330236500.db2.gz STJQJPHUFOLCBR-UXHICEINSA-N 1 3 364.578 2.268 20 0 FEADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000132784024 517634436 /nfs/dbraw/zinc/63/44/36/517634436.db2.gz PIQQDLLJAVUMSN-QGZVFWFLSA-N 1 3 361.530 2.380 20 0 FEADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000156451857 545628463 /nfs/dbraw/zinc/62/84/63/545628463.db2.gz KQXFMMPSHXBSQQ-IBGZPJMESA-N 1 3 373.545 2.055 20 0 FEADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000156451857 545628466 /nfs/dbraw/zinc/62/84/66/545628466.db2.gz KQXFMMPSHXBSQQ-IBGZPJMESA-N 1 3 373.545 2.055 20 0 FEADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(Br)cc2)CC[N@@H+]1C ZINC000158236290 545837572 /nfs/dbraw/zinc/83/75/72/545837572.db2.gz ZGCBMPVHIDOQAW-YUELXQCFSA-N 1 3 357.292 2.261 20 0 FEADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(Br)cc2)CC[N@H+]1C ZINC000158236290 545837575 /nfs/dbraw/zinc/83/75/75/545837575.db2.gz ZGCBMPVHIDOQAW-YUELXQCFSA-N 1 3 357.292 2.261 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000478791476 561174973 /nfs/dbraw/zinc/17/49/73/561174973.db2.gz YMLYNPBQIRQWME-UXHICEINSA-N 1 3 374.529 2.395 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000478791476 561174974 /nfs/dbraw/zinc/17/49/74/561174974.db2.gz YMLYNPBQIRQWME-UXHICEINSA-N 1 3 374.529 2.395 20 0 FEADHO [NH3+]CCc1nc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cs1 ZINC000479228846 561185371 /nfs/dbraw/zinc/18/53/71/561185371.db2.gz XVTOYFISYUIHRV-UHFFFAOYSA-N 1 3 374.510 2.101 20 0 FEADHO CC(C)[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCS1 ZINC000176382582 546438798 /nfs/dbraw/zinc/43/87/98/546438798.db2.gz PZRSSVUNUYUSDJ-GOSISDBHSA-N 1 3 368.591 2.328 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc2)CC1 ZINC000177049632 546531846 /nfs/dbraw/zinc/53/18/46/546531846.db2.gz CUZWTXBIZDBGDT-FUHWJXTLSA-N 1 3 356.514 2.184 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)cc2)CC1 ZINC000177049632 546531848 /nfs/dbraw/zinc/53/18/48/546531848.db2.gz CUZWTXBIZDBGDT-FUHWJXTLSA-N 1 3 356.514 2.184 20 0 FEADHO CC[NH+](CC)CCNC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177337848 546596760 /nfs/dbraw/zinc/59/67/60/546596760.db2.gz NRGNORLXLJHVRU-HDICACEKSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@H]1C[NH+](CCC2CCN(Cc3cccc(C(N)=O)c3)CC2)C[C@H](C)O1 ZINC000177505071 546632298 /nfs/dbraw/zinc/63/22/98/546632298.db2.gz YBKPYLLFUMDVSC-IRXDYDNUSA-N 1 3 359.514 2.497 20 0 FEADHO Cc1cc(C)cc(OCCC[NH+]2CCC(C(=O)NCCN(C)C)CC2)c1 ZINC000177699111 546670588 /nfs/dbraw/zinc/67/05/88/546670588.db2.gz XCHMUXVYLGFERM-UHFFFAOYSA-N 1 3 361.530 2.462 20 0 FEADHO CCCN1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000177894844 546703457 /nfs/dbraw/zinc/70/34/57/546703457.db2.gz OPQMONMHSBWTTA-UHFFFAOYSA-N 1 3 365.543 2.435 20 0 FEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481291763 561229837 /nfs/dbraw/zinc/22/98/37/561229837.db2.gz MDARFZUTRQUGEO-HPFXQQBRSA-N 1 3 356.580 2.089 20 0 FEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481291763 561229838 /nfs/dbraw/zinc/22/98/38/561229838.db2.gz MDARFZUTRQUGEO-HPFXQQBRSA-N 1 3 356.580 2.089 20 0 FEADHO CN(c1ccccc1CN1CCC[C@H](OCCO)C1)C1CC[NH+](C)CC1 ZINC000179576587 546980740 /nfs/dbraw/zinc/98/07/40/546980740.db2.gz JNMRSLLIUIJPEE-FQEVSTJZSA-N 1 3 361.530 2.190 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCN1C(=O)NC2(CCCC2)C1=O ZINC000482151258 561249248 /nfs/dbraw/zinc/24/92/48/561249248.db2.gz OAMYWVJFTLZHEZ-IRXDYDNUSA-N 1 3 364.534 2.341 20 0 FEADHO COC(=O)c1ccc(Cl)c(CNCCN2CCC([NH+](C)C)CC2)c1 ZINC000482242770 561251093 /nfs/dbraw/zinc/25/10/93/561251093.db2.gz LQKNWEQOQDBEDM-UHFFFAOYSA-N 1 3 353.894 2.242 20 0 FEADHO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(OCCN(C)C)cc1 ZINC000179986495 547036700 /nfs/dbraw/zinc/03/67/00/547036700.db2.gz MOCBBUKFLOTBDA-APWZRJJASA-N 1 3 364.486 2.200 20 0 FEADHO C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000179986495 547036705 /nfs/dbraw/zinc/03/67/05/547036705.db2.gz MOCBBUKFLOTBDA-APWZRJJASA-N 1 3 364.486 2.200 20 0 FEADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000482864865 561261728 /nfs/dbraw/zinc/26/17/28/561261728.db2.gz BXKKOIMBDIIRIJ-KRWDZBQOSA-N 1 3 369.513 2.466 20 0 FEADHO C[C@H](CO)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CCC1 ZINC000483140783 561268686 /nfs/dbraw/zinc/26/86/86/561268686.db2.gz REUUQCFPERRPCX-GOSISDBHSA-N 1 3 373.541 2.382 20 0 FEADHO C[C@H](CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1)[NH+]1CCCCC1 ZINC000182675025 547531019 /nfs/dbraw/zinc/53/10/19/547531019.db2.gz CWCUVRMIGWJIMF-MSOLQXFVSA-N 1 3 354.539 2.003 20 0 FEADHO O=C(NCC1=CC[NH2+]CC1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000186394925 548129117 /nfs/dbraw/zinc/12/91/17/548129117.db2.gz YZNSTGSIGVLIGO-SFHVURJKSA-N 1 3 367.415 2.477 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000194972331 548558084 /nfs/dbraw/zinc/55/80/84/548558084.db2.gz MLLGVWXNTJBTLH-MRXNPFEDSA-N 1 3 353.532 2.464 20 0 FEADHO COc1cccc([C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195203651 548596438 /nfs/dbraw/zinc/59/64/38/548596438.db2.gz WBJVXPHMGNOUQB-INIZCTEOSA-N 1 3 359.514 2.474 20 0 FEADHO COc1cccc([C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195203660 548596486 /nfs/dbraw/zinc/59/64/86/548596486.db2.gz WBJVXPHMGNOUQB-MRXNPFEDSA-N 1 3 359.514 2.474 20 0 FEADHO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H](N)c2ccccc2)CC1 ZINC000236955068 548790400 /nfs/dbraw/zinc/79/04/00/548790400.db2.gz CQVUGPGXCFPKLL-NRFANRHFSA-N 1 3 366.509 2.140 20 0 FEADHO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000236980526 548793088 /nfs/dbraw/zinc/79/30/88/548793088.db2.gz PZLNBZOEVHZZJI-JLSDUUJJSA-N 1 3 360.502 2.165 20 0 FEADHO C[C@H](NC1(CNC(=O)CC2CC[NH2+]CC2)CCOCC1)c1ccccc1 ZINC000237524784 548832315 /nfs/dbraw/zinc/83/23/15/548832315.db2.gz QXKLWUOEQQIBRA-KRWDZBQOSA-N 1 3 359.514 2.392 20 0 FEADHO Cc1cc(NC(=O)CNC[C@H]2CCCO2)ccc1OCC[NH+]1CCCC1 ZINC000237708088 548846204 /nfs/dbraw/zinc/84/62/04/548846204.db2.gz WVQBMNBTWPLBPZ-GOSISDBHSA-N 1 3 361.486 2.177 20 0 FEADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000237807459 548854559 /nfs/dbraw/zinc/85/45/59/548854559.db2.gz RAPSGGPVWWGFBE-RTWAWAEBSA-N 1 3 351.494 2.237 20 0 FEADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000237807459 548854560 /nfs/dbraw/zinc/85/45/60/548854560.db2.gz RAPSGGPVWWGFBE-RTWAWAEBSA-N 1 3 351.494 2.237 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000246394949 549124067 /nfs/dbraw/zinc/12/40/67/549124067.db2.gz OYQXKBWDGDLEIH-MKXGPGLRSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000246394949 549124071 /nfs/dbraw/zinc/12/40/71/549124071.db2.gz OYQXKBWDGDLEIH-MKXGPGLRSA-N 1 3 366.550 2.002 20 0 FEADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246458477 549138075 /nfs/dbraw/zinc/13/80/75/549138075.db2.gz FXYKMCGELBGPTC-PZJWPPBQSA-N 1 3 372.557 2.183 20 0 FEADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246458477 549138080 /nfs/dbraw/zinc/13/80/80/549138080.db2.gz FXYKMCGELBGPTC-PZJWPPBQSA-N 1 3 372.557 2.183 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)C[C@@H](C)O1 ZINC000246561504 549162164 /nfs/dbraw/zinc/16/21/64/549162164.db2.gz ULPGEIUDWVVLQM-DBXWQHBBSA-N 1 3 373.541 2.467 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000246776446 549208984 /nfs/dbraw/zinc/20/89/84/549208984.db2.gz BVEOXNZIKDCGPQ-WMZOPIPTSA-N 1 3 353.551 2.406 20 0 FEADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000489070737 561402783 /nfs/dbraw/zinc/40/27/83/561402783.db2.gz LDBJHLVGNQQIEP-TZIWHRDSSA-N 1 3 356.514 2.388 20 0 FEADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000489070737 561402784 /nfs/dbraw/zinc/40/27/84/561402784.db2.gz LDBJHLVGNQQIEP-TZIWHRDSSA-N 1 3 356.514 2.388 20 0 FEADHO COc1cccc(COC[C@H](O)C[N@H+](C)CC[C@H]2CCCCN2C)c1 ZINC000247643864 549367963 /nfs/dbraw/zinc/36/79/63/549367963.db2.gz UBPWXJFOJJULPI-RTBURBONSA-N 1 3 350.503 2.379 20 0 FEADHO COc1cccc(COC[C@H](O)C[N@@H+](C)CC[C@H]2CCCCN2C)c1 ZINC000247643864 549367966 /nfs/dbraw/zinc/36/79/66/549367966.db2.gz UBPWXJFOJJULPI-RTBURBONSA-N 1 3 350.503 2.379 20 0 FEADHO CC(C)[C@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CCN1C ZINC000489318567 561407945 /nfs/dbraw/zinc/40/79/45/561407945.db2.gz IFWVUIMHMLFTGZ-OAQYLSRUSA-N 1 3 372.557 2.387 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000249465799 549594039 /nfs/dbraw/zinc/59/40/39/549594039.db2.gz SENWKWQJZIGIGG-GHTZIAJQSA-N 1 3 373.541 2.298 20 0 FEADHO COCCCN(C)CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000252538220 549674302 /nfs/dbraw/zinc/67/43/02/549674302.db2.gz GUQLKCPOYUXQJN-RTBURBONSA-N 1 3 368.566 2.251 20 0 FEADHO COCCCN(C)CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000252538220 549674304 /nfs/dbraw/zinc/67/43/04/549674304.db2.gz GUQLKCPOYUXQJN-RTBURBONSA-N 1 3 368.566 2.251 20 0 FEADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)C1CCOCC1 ZINC000261728972 549748663 /nfs/dbraw/zinc/74/86/63/549748663.db2.gz JUMJOJZXVUHZAR-AZUAARDMSA-N 1 3 359.514 2.111 20 0 FEADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)C1CCOCC1 ZINC000261728972 549748666 /nfs/dbraw/zinc/74/86/66/549748666.db2.gz JUMJOJZXVUHZAR-AZUAARDMSA-N 1 3 359.514 2.111 20 0 FEADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](N)C2CCOCC2)cc1 ZINC000261737301 549749652 /nfs/dbraw/zinc/74/96/52/549749652.db2.gz KGRLXAGICVWIQW-OXJNMPFZSA-N 1 3 359.514 2.431 20 0 FEADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](N)C2CCOCC2)cc1 ZINC000261737301 549749655 /nfs/dbraw/zinc/74/96/55/549749655.db2.gz KGRLXAGICVWIQW-OXJNMPFZSA-N 1 3 359.514 2.431 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cccc(OC(F)F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261829475 549760759 /nfs/dbraw/zinc/76/07/59/549760759.db2.gz KWWVNPOJCWNZGV-NVXWUHKLSA-N 1 3 367.440 2.368 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cccc(OC(F)F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261829484 549760892 /nfs/dbraw/zinc/76/08/92/549760892.db2.gz KWWVNPOJCWNZGV-WBVHZDCISA-N 1 3 367.440 2.368 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262375837 549815573 /nfs/dbraw/zinc/81/55/73/549815573.db2.gz MHOCDMYKOHVBCA-QGZVFWFLSA-N 1 3 373.476 2.151 20 0 FEADHO CO[C@H](C[NH3+])CC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000262992162 549868688 /nfs/dbraw/zinc/86/86/88/549868688.db2.gz ZZKTYOCLTSZGPS-IBGZPJMESA-N 1 3 359.514 2.398 20 0 FEADHO CCN(C(=O)[C@@H]1CN2CCN1CCC2)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000490548277 561435000 /nfs/dbraw/zinc/43/50/00/561435000.db2.gz VERRLMBEOWATRY-NRSPTQNISA-N 1 3 370.541 2.060 20 0 FEADHO CCN(C(=O)[C@@H]1CN2CCN1CCC2)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000490548277 561435001 /nfs/dbraw/zinc/43/50/01/561435001.db2.gz VERRLMBEOWATRY-NRSPTQNISA-N 1 3 370.541 2.060 20 0 FEADHO CCN1CCC(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000264033818 549970830 /nfs/dbraw/zinc/97/08/30/549970830.db2.gz IFSGFTPKVLUNQS-LJQANCHMSA-N 1 3 358.530 2.335 20 0 FEADHO CCN1CCC(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000264033818 549970831 /nfs/dbraw/zinc/97/08/31/549970831.db2.gz IFSGFTPKVLUNQS-LJQANCHMSA-N 1 3 358.530 2.335 20 0 FEADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1Cn1cccn1 ZINC000268849357 550123362 /nfs/dbraw/zinc/12/33/62/550123362.db2.gz PLVLEYQNKMHSLM-VQIMIIECSA-N 1 3 358.486 2.047 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C[C@@H]2CNCCO2)C1 ZINC000269230915 550170018 /nfs/dbraw/zinc/17/00/18/550170018.db2.gz IPPXFFLMDMCFST-MBOZVWFJSA-N 1 3 359.514 2.159 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)CCCCCC[NH3+])CC1 ZINC000269298814 550178119 /nfs/dbraw/zinc/17/81/19/550178119.db2.gz PNQADYGNORGTQP-UHFFFAOYSA-N 1 3 360.546 2.350 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc([C@@H]4CCOC4)c3)CC2)CC1 ZINC000270549668 550282808 /nfs/dbraw/zinc/28/28/08/550282808.db2.gz GQQDZKFBOLBVNG-LJQANCHMSA-N 1 3 371.525 2.479 20 0 FEADHO CC[NH+](CC)CCSCC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000271383393 550370510 /nfs/dbraw/zinc/37/05/10/550370510.db2.gz KBRDIFAEKLMOGG-UHFFFAOYSA-N 1 3 364.559 2.489 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271449667 550376273 /nfs/dbraw/zinc/37/62/73/550376273.db2.gz DQZDLGCDVLDQOE-DNVCBOLYSA-N 1 3 357.502 2.080 20 0 FEADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000271676764 550394611 /nfs/dbraw/zinc/39/46/11/550394611.db2.gz NTCVJLAFFGPJAY-DOTOQJQBSA-N 1 3 353.532 2.462 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1=CCN(C)CC1 ZINC000271900704 550409861 /nfs/dbraw/zinc/40/98/61/550409861.db2.gz OMZKXRIWKVONCQ-XLIONFOSSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1=CCN(C)CC1 ZINC000271900704 550409863 /nfs/dbraw/zinc/40/98/63/550409863.db2.gz OMZKXRIWKVONCQ-XLIONFOSSA-N 1 3 356.514 2.458 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)[C@H]2C1 ZINC000272503443 550454016 /nfs/dbraw/zinc/45/40/16/550454016.db2.gz WBIHOIDMDYCLQT-CTNGQTDRSA-N 1 3 370.541 2.429 20 0 FEADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000273076001 550483890 /nfs/dbraw/zinc/48/38/90/550483890.db2.gz GMRHFCHYZJFDAK-NHCUHLMSSA-N 1 3 371.525 2.276 20 0 FEADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000273076001 550483892 /nfs/dbraw/zinc/48/38/92/550483892.db2.gz GMRHFCHYZJFDAK-NHCUHLMSSA-N 1 3 371.525 2.276 20 0 FEADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000274463693 550539002 /nfs/dbraw/zinc/53/90/02/550539002.db2.gz KHNGKKKTHSDUES-GOSISDBHSA-N 1 3 360.546 2.284 20 0 FEADHO CC1(C)CN(C2(CNC(=O)CC[C@H]3CCC[NH2+]3)CCCCC2)CCO1 ZINC000494645005 561473268 /nfs/dbraw/zinc/47/32/68/561473268.db2.gz BLRXEIGIZPPCFH-QGZVFWFLSA-N 1 3 351.535 2.449 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)CC[C@@H]2CCC[NH2+]2)cc1)[C@@H]1CCCN(C)C1 ZINC000494653006 561473474 /nfs/dbraw/zinc/47/34/74/561473474.db2.gz JWUTZZQIHIXZLN-PKOBYXMFSA-N 1 3 372.513 2.324 20 0 FEADHO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000274926001 550565246 /nfs/dbraw/zinc/56/52/46/550565246.db2.gz YYQRKDAKCKLRCJ-KRWDZBQOSA-N 1 3 362.543 2.351 20 0 FEADHO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000274926001 550565247 /nfs/dbraw/zinc/56/52/47/550565247.db2.gz YYQRKDAKCKLRCJ-KRWDZBQOSA-N 1 3 362.543 2.351 20 0 FEADHO COCCN(C)c1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000276941939 550613386 /nfs/dbraw/zinc/61/33/86/550613386.db2.gz HDSPYCHNMQNRER-ROUUACIJSA-N 1 3 364.534 2.143 20 0 FEADHO C[NH+](C)[C@@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000277400745 550665891 /nfs/dbraw/zinc/66/58/91/550665891.db2.gz YLXAZYHOPPZINH-LJQANCHMSA-N 1 3 358.530 2.141 20 0 FEADHO COC[C@H](C)OC[C@@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000278434728 550785695 /nfs/dbraw/zinc/78/56/95/550785695.db2.gz VHKGKRJGABHCNR-PXNSSMCTSA-N 1 3 365.518 2.032 20 0 FEADHO COC[C@H](C)OC[C@@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000278434728 550785697 /nfs/dbraw/zinc/78/56/97/550785697.db2.gz VHKGKRJGABHCNR-PXNSSMCTSA-N 1 3 365.518 2.032 20 0 FEADHO C[C@@H](NC(C)(C)CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000278651477 550808239 /nfs/dbraw/zinc/80/82/39/550808239.db2.gz AMFULXIZAZRZNK-GDBMZVCRSA-N 1 3 355.486 2.346 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000279919206 550942945 /nfs/dbraw/zinc/94/29/45/550942945.db2.gz MXRGMXWAVQOZMB-PMACEKPBSA-N 1 3 372.557 2.402 20 0 FEADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)[C@H]1C ZINC000280899315 551044034 /nfs/dbraw/zinc/04/40/34/551044034.db2.gz OHUJCTZGLBCHCK-BJLQDIEVSA-N 1 3 374.529 2.161 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC000282046265 551173848 /nfs/dbraw/zinc/17/38/48/551173848.db2.gz LVPUTKKVXICXJH-FQEVSTJZSA-N 1 3 372.557 2.387 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC000282046265 551173850 /nfs/dbraw/zinc/17/38/50/551173850.db2.gz LVPUTKKVXICXJH-FQEVSTJZSA-N 1 3 372.557 2.387 20 0 FEADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000497506092 561502476 /nfs/dbraw/zinc/50/24/76/561502476.db2.gz PLSLFLMTMUYQPT-FQEVSTJZSA-N 1 3 361.530 2.426 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000497621833 561504910 /nfs/dbraw/zinc/50/49/10/561504910.db2.gz JOZFTJHPRCQDBI-WMZOPIPTSA-N 1 3 366.550 2.002 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000497621833 561504911 /nfs/dbraw/zinc/50/49/11/561504911.db2.gz JOZFTJHPRCQDBI-WMZOPIPTSA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000283199483 551327774 /nfs/dbraw/zinc/32/77/74/551327774.db2.gz GIZMMKRELASWTK-BXKMTCNYSA-N 1 3 351.560 2.491 20 0 FEADHO CCCC[C@H](N)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000498079585 561515626 /nfs/dbraw/zinc/51/56/26/561515626.db2.gz JHWIWAIVYCIPRH-KRWDZBQOSA-N 1 3 361.490 2.358 20 0 FEADHO C[C@H](N[C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000284076625 551479869 /nfs/dbraw/zinc/47/98/69/551479869.db2.gz AZFMJCRGNJZWJF-VDZJLULYSA-N 1 3 352.519 2.436 20 0 FEADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000498206805 561518569 /nfs/dbraw/zinc/51/85/69/561518569.db2.gz OANALLQCHVOAGU-IFMALSPDSA-N 1 3 372.557 2.218 20 0 FEADHO COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000285541732 551772046 /nfs/dbraw/zinc/77/20/46/551772046.db2.gz CEXAEBWZUXTMNI-TZIWHRDSSA-N 1 3 355.482 2.420 20 0 FEADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(-n2ccnn2)c1 ZINC000287699529 552035703 /nfs/dbraw/zinc/03/57/03/552035703.db2.gz NNUGMAFXFWSHTR-MRXNPFEDSA-N 1 3 366.469 2.454 20 0 FEADHO Cc1nn2c(C[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)c(C)nc2s1 ZINC000499676943 561555995 /nfs/dbraw/zinc/55/59/95/561555995.db2.gz FVGNZVDEFHDJBJ-BETUJISGSA-N 1 3 351.520 2.387 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)cc1)C1CC1 ZINC000499698433 561556551 /nfs/dbraw/zinc/55/65/51/561556551.db2.gz NVJUYJMZBRTXMY-PMACEKPBSA-N 1 3 359.514 2.462 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)cc1)C1CC1 ZINC000499698433 561556552 /nfs/dbraw/zinc/55/65/52/561556552.db2.gz NVJUYJMZBRTXMY-PMACEKPBSA-N 1 3 359.514 2.462 20 0 FEADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000289104809 552267185 /nfs/dbraw/zinc/26/71/85/552267185.db2.gz CITZLBDQWZRTBV-WGSAOQKQSA-N 1 3 358.530 2.080 20 0 FEADHO C[C@H](C(=O)Nc1ccccc1Cl)N(C)CCCN(C)CC[NH+](C)C ZINC000289536571 552337010 /nfs/dbraw/zinc/33/70/10/552337010.db2.gz WJWFXICCCFAGKC-OAHLLOKOSA-N 1 3 354.926 2.482 20 0 FEADHO COc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)c(OC)c1OC ZINC000289687966 552362043 /nfs/dbraw/zinc/36/20/43/552362043.db2.gz FIVDMYASDMVACV-UHFFFAOYSA-N 1 3 365.518 2.170 20 0 FEADHO CN1CC[C@]2(CC[N@H+](C[C@@H](O)COc3ccccc3C(F)(F)F)C2)C1 ZINC000292272392 552710929 /nfs/dbraw/zinc/71/09/29/552710929.db2.gz ZQQABXWJGROQQM-PBHICJAKSA-N 1 3 358.404 2.473 20 0 FEADHO CN1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccccc3C(F)(F)F)C2)C1 ZINC000292272392 552710930 /nfs/dbraw/zinc/71/09/30/552710930.db2.gz ZQQABXWJGROQQM-PBHICJAKSA-N 1 3 358.404 2.473 20 0 FEADHO CC(C)[N@@H+]1CCCN([C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000292584039 552740497 /nfs/dbraw/zinc/74/04/97/552740497.db2.gz UPNVSOGFFSTMTH-CTNGQTDRSA-N 1 3 372.557 2.182 20 0 FEADHO CC(C)[N@H+]1CCCN([C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000292584039 552740499 /nfs/dbraw/zinc/74/04/99/552740499.db2.gz UPNVSOGFFSTMTH-CTNGQTDRSA-N 1 3 372.557 2.182 20 0 FEADHO COCCc1ccc(OC[C@H](O)CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000293503082 552830366 /nfs/dbraw/zinc/83/03/66/552830366.db2.gz NTFJSPTZXJRTJK-HXUWFJFHSA-N 1 3 364.530 2.279 20 0 FEADHO CCN1CC[C@H]2OCCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)[C@H]2C1 ZINC000293910055 552866931 /nfs/dbraw/zinc/86/69/31/552866931.db2.gz NSSOGSYOGBGCIQ-VQTJNVASSA-N 1 3 357.498 2.218 20 0 FEADHO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000294221933 552889332 /nfs/dbraw/zinc/88/93/32/552889332.db2.gz NRSGCLOWVOPJOE-OAHLLOKOSA-N 1 3 374.510 2.309 20 0 FEADHO C[C@H](NC1CC1)C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000295794474 553059793 /nfs/dbraw/zinc/05/97/93/553059793.db2.gz SGJPLIAYQJMXTQ-OXJNMPFZSA-N 1 3 359.514 2.031 20 0 FEADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000502790830 561625714 /nfs/dbraw/zinc/62/57/14/561625714.db2.gz APWCEPXCYDLRLD-ICSRJNTNSA-N 1 3 358.530 2.287 20 0 FEADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000502790830 561625715 /nfs/dbraw/zinc/62/57/15/561625715.db2.gz APWCEPXCYDLRLD-ICSRJNTNSA-N 1 3 358.530 2.287 20 0 FEADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000502790831 561625723 /nfs/dbraw/zinc/62/57/23/561625723.db2.gz APWCEPXCYDLRLD-QUCCMNQESA-N 1 3 358.530 2.287 20 0 FEADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000502790831 561625724 /nfs/dbraw/zinc/62/57/24/561625724.db2.gz APWCEPXCYDLRLD-QUCCMNQESA-N 1 3 358.530 2.287 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@H]2CCO)CC1 ZINC000502854375 561627819 /nfs/dbraw/zinc/62/78/19/561627819.db2.gz FKLOEKCFKMARBZ-GHTZIAJQSA-N 1 3 373.541 2.216 20 0 FEADHO CCCN(CCN1CCCCC1)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000502901504 561629327 /nfs/dbraw/zinc/62/93/27/561629327.db2.gz HZORKNRZSPTHQH-LJQANCHMSA-N 1 3 368.566 2.395 20 0 FEADHO CCCN(CCN1CCCCC1)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000502901504 561629328 /nfs/dbraw/zinc/62/93/28/561629328.db2.gz HZORKNRZSPTHQH-LJQANCHMSA-N 1 3 368.566 2.395 20 0 FEADHO C[C@@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCN(C2CC2)C1 ZINC000297292906 553274279 /nfs/dbraw/zinc/27/42/79/553274279.db2.gz LWLSQRCUMTUJMR-KRWDZBQOSA-N 1 3 371.529 2.424 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000297385592 553285775 /nfs/dbraw/zinc/28/57/75/553285775.db2.gz WRFZGHLYSNRPSI-NRFANRHFSA-N 1 3 374.529 2.254 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000297385592 553285776 /nfs/dbraw/zinc/28/57/76/553285776.db2.gz WRFZGHLYSNRPSI-NRFANRHFSA-N 1 3 374.529 2.254 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000297600416 553314005 /nfs/dbraw/zinc/31/40/05/553314005.db2.gz ZRTLQNAYEHODPD-UHFFFAOYSA-N 1 3 370.501 2.362 20 0 FEADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)COc1ccccc1Br ZINC000297759924 553335305 /nfs/dbraw/zinc/33/53/05/553335305.db2.gz UXJKQVUIMKCFFQ-OAHLLOKOSA-N 1 3 369.303 2.405 20 0 FEADHO CC(C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)S(C)(=O)=O ZINC000298586320 553445053 /nfs/dbraw/zinc/44/50/53/553445053.db2.gz HGHWKFLBEBSWSS-OAGGEKHMSA-N 1 3 366.527 2.214 20 0 FEADHO C[C@H]1CCN(C)CCN1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000505365231 561669977 /nfs/dbraw/zinc/66/99/77/561669977.db2.gz AWCHOLNWJMDNIX-KRWDZBQOSA-N 1 3 374.529 2.395 20 0 FEADHO CC[NH+](CC)CC1CCN(Cc2c(C)nn(C)c2N2CCOCC2)CC1 ZINC000506909402 561711467 /nfs/dbraw/zinc/71/14/67/561711467.db2.gz PRIBTOIWLBQZJM-UHFFFAOYSA-N 1 3 363.550 2.119 20 0 FEADHO O=C1[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CCCN1c1cccnc1 ZINC000330133472 554070797 /nfs/dbraw/zinc/07/07/97/554070797.db2.gz RECYPCHNFJUQLM-LJQANCHMSA-N 1 3 351.454 2.231 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCCC[C@H]3CN)CC2)cc1 ZINC000333173421 554583489 /nfs/dbraw/zinc/58/34/89/554583489.db2.gz QHRXLCHRSRIWML-QFBILLFUSA-N 1 3 365.543 2.255 20 0 FEADHO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000333280274 554597937 /nfs/dbraw/zinc/59/79/37/554597937.db2.gz MHWYEQHYSZJNKB-KZNAEPCWSA-N 1 3 357.564 2.089 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333529113 554621396 /nfs/dbraw/zinc/62/13/96/554621396.db2.gz HRXQAXFCCSRJLE-FQEVSTJZSA-N 1 3 357.502 2.083 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000333753279 554639154 /nfs/dbraw/zinc/63/91/54/554639154.db2.gz ZIGSMENBGMRDRY-QRQLOZEOSA-N 1 3 359.518 2.076 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc3c(c2)oc(=O)n3C)[C@@H](C)C1 ZINC000510982309 561853226 /nfs/dbraw/zinc/85/32/26/561853226.db2.gz KUQBLJVUSBVBRW-RDJZCZTQSA-N 1 3 361.486 2.358 20 0 FEADHO CN(C)[C@H]1CCN(C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000360221284 554867536 /nfs/dbraw/zinc/86/75/36/554867536.db2.gz DMHHVVADCFOKOA-FQEVSTJZSA-N 1 3 358.530 2.287 20 0 FEADHO CC(C)OCCN1CCC([NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000361240132 554911875 /nfs/dbraw/zinc/91/18/75/554911875.db2.gz DSRRCADYWLOESG-CEWLAPEOSA-N 1 3 367.578 2.355 20 0 FEADHO COC[C@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(F)c1 ZINC000361997022 554942745 /nfs/dbraw/zinc/94/27/45/554942745.db2.gz MRFOLKJSPOGFRL-BEFAXECRSA-N 1 3 353.457 2.410 20 0 FEADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000362199420 554955439 /nfs/dbraw/zinc/95/54/39/554955439.db2.gz HZVZBOAVBRSDFZ-TZIWHRDSSA-N 1 3 371.525 2.268 20 0 FEADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000362199420 554955442 /nfs/dbraw/zinc/95/54/42/554955442.db2.gz HZVZBOAVBRSDFZ-TZIWHRDSSA-N 1 3 371.525 2.268 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)C2CCN(c3ccncc3)CC2)C1 ZINC000363465115 555112483 /nfs/dbraw/zinc/11/24/83/555112483.db2.gz XLXFKMOBGNNNRO-QGZVFWFLSA-N 1 3 359.518 2.424 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)N(C)C2CCN(c3ccncc3)CC2)C1 ZINC000363465115 555112484 /nfs/dbraw/zinc/11/24/84/555112484.db2.gz XLXFKMOBGNNNRO-QGZVFWFLSA-N 1 3 359.518 2.424 20 0 FEADHO COc1cc(CNC(=O)C[C@H]2CCC[NH2+]CC2)ccc1OCCN(C)C ZINC000363689574 555164605 /nfs/dbraw/zinc/16/46/05/555164605.db2.gz UEPUJXZXPFPDLQ-INIZCTEOSA-N 1 3 363.502 2.032 20 0 FEADHO C[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000363782383 555184955 /nfs/dbraw/zinc/18/49/55/555184955.db2.gz HEQTXQISQZZOSJ-WOUAJJJCSA-N 1 3 370.501 2.202 20 0 FEADHO C[C@H](N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000363782383 555184958 /nfs/dbraw/zinc/18/49/58/555184958.db2.gz HEQTXQISQZZOSJ-WOUAJJJCSA-N 1 3 370.501 2.202 20 0 FEADHO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(OCCN(C)C)cc1 ZINC000363784279 555185588 /nfs/dbraw/zinc/18/55/88/555185588.db2.gz MSEOWEZATMOKDA-AEFFLSMTSA-N 1 3 357.502 2.290 20 0 FEADHO CCN(CCC[NH+]1CCCC1)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000365030115 555469038 /nfs/dbraw/zinc/46/90/38/555469038.db2.gz VDGUERKRHZXRIT-UHFFFAOYSA-N 1 3 361.534 2.317 20 0 FEADHO CC(C)[NH+](CCCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)C(C)C ZINC000365936059 555705425 /nfs/dbraw/zinc/70/54/25/555705425.db2.gz JZXSFPHQBKDUDG-GOSISDBHSA-N 1 3 368.566 2.390 20 0 FEADHO C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@H](N)c1ccccc1 ZINC000366322037 555811816 /nfs/dbraw/zinc/81/18/16/555811816.db2.gz IEVISXUQXNGWJH-ICSRJNTNSA-N 1 3 372.557 2.389 20 0 FEADHO C[C@H](CC[NH+](C)C)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000366323686 555812148 /nfs/dbraw/zinc/81/21/48/555812148.db2.gz MBSSDIMNJSXJPF-LRVUVFPRSA-N 1 3 364.456 2.431 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000366326094 555813039 /nfs/dbraw/zinc/81/30/39/555813039.db2.gz QQBCPDHFKLJHNJ-YRPNKDGESA-N 1 3 356.514 2.331 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3nnc(C)s3)CC2)CC1 ZINC000514613925 561970036 /nfs/dbraw/zinc/97/00/36/561970036.db2.gz QQSCPOCLKCXOGG-CYBMUJFWSA-N 1 3 365.547 2.220 20 0 FEADHO C[C@H]1C[C@@H](CNC(=O)N2CCN3CCC2CC3)C[N@@H+]1Cc1ccccc1 ZINC000367409957 556040917 /nfs/dbraw/zinc/04/09/17/556040917.db2.gz KRHLKOJZSSIHKI-HKUYNNGSSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@H]1C[C@@H](CNC(=O)N2CCN3CCC2CC3)C[N@H+]1Cc1ccccc1 ZINC000367409957 556040918 /nfs/dbraw/zinc/04/09/18/556040918.db2.gz KRHLKOJZSSIHKI-HKUYNNGSSA-N 1 3 356.514 2.387 20 0 FEADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCCOc1ccc(Cl)cc1 ZINC000514938962 561987941 /nfs/dbraw/zinc/98/79/41/561987941.db2.gz VHNPKXZPDMUYSR-MRXNPFEDSA-N 1 3 353.894 2.428 20 0 FEADHO COCCOc1ccc(CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000368051196 556204345 /nfs/dbraw/zinc/20/43/45/556204345.db2.gz KTIQNEKHNASOJS-FQEVSTJZSA-N 1 3 361.530 2.171 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNCCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000515466989 562011609 /nfs/dbraw/zinc/01/16/09/562011609.db2.gz IXBVBIHDFVWJMC-QGZVFWFLSA-N 1 3 372.513 2.464 20 0 FEADHO CCC[N@H+]1CC[C@H](CNCCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000515466989 562011610 /nfs/dbraw/zinc/01/16/10/562011610.db2.gz IXBVBIHDFVWJMC-QGZVFWFLSA-N 1 3 372.513 2.464 20 0 FEADHO CCCN1CC[C@H](C[NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000515466989 562011611 /nfs/dbraw/zinc/01/16/11/562011611.db2.gz IXBVBIHDFVWJMC-QGZVFWFLSA-N 1 3 372.513 2.464 20 0 FEADHO C[C@@H](CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)C[NH+]1CCCC1 ZINC000369200173 556534165 /nfs/dbraw/zinc/53/41/65/556534165.db2.gz FWHKYPFUOYBOSC-ICSRJNTNSA-N 1 3 373.545 2.325 20 0 FEADHO O=C(N[C@@H]1CCCN(C2CCCCC2)C1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000369562822 556631929 /nfs/dbraw/zinc/63/19/29/556631929.db2.gz VRGCLFQDAKOHCM-AEFFLSMTSA-N 1 3 359.518 2.335 20 0 FEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000370051607 556767133 /nfs/dbraw/zinc/76/71/33/556767133.db2.gz XCXCAGLSCIPXNB-RCCFBDPRSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000370051607 556767138 /nfs/dbraw/zinc/76/71/38/556767138.db2.gz XCXCAGLSCIPXNB-RCCFBDPRSA-N 1 3 366.550 2.002 20 0 FEADHO C(CN1CCCO[C@@H]2CCC[C@H]21)OCC[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000370167067 556799522 /nfs/dbraw/zinc/79/95/22/556799522.db2.gz ISLUPJBWFMZVJK-FGYAAKKASA-N 1 3 352.519 2.290 20 0 FEADHO C(CN1CCCO[C@@H]2CCC[C@H]21)OCC[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000370167067 556799525 /nfs/dbraw/zinc/79/95/25/556799525.db2.gz ISLUPJBWFMZVJK-FGYAAKKASA-N 1 3 352.519 2.290 20 0 FEADHO C(CN1CCCO[C@H]2CCC[C@@H]21)OCC[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000370167067 556799529 /nfs/dbraw/zinc/79/95/29/556799529.db2.gz ISLUPJBWFMZVJK-FGYAAKKASA-N 1 3 352.519 2.290 20 0 FEADHO C(CN1CCCO[C@H]2CCC[C@@H]21)OCC[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000370167067 556799532 /nfs/dbraw/zinc/79/95/32/556799532.db2.gz ISLUPJBWFMZVJK-FGYAAKKASA-N 1 3 352.519 2.290 20 0 FEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000370369396 556852154 /nfs/dbraw/zinc/85/21/54/556852154.db2.gz FIIOUWOQQINXOR-SFHVURJKSA-N 1 3 361.534 2.077 20 0 FEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000370369396 556852156 /nfs/dbraw/zinc/85/21/56/556852156.db2.gz FIIOUWOQQINXOR-SFHVURJKSA-N 1 3 361.534 2.077 20 0 FEADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000370370967 556852949 /nfs/dbraw/zinc/85/29/49/556852949.db2.gz WXRMYQCKSRJAFR-YZGWKJHDSA-N 1 3 373.545 2.322 20 0 FEADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000370370967 556852953 /nfs/dbraw/zinc/85/29/53/556852953.db2.gz WXRMYQCKSRJAFR-YZGWKJHDSA-N 1 3 373.545 2.322 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)C[C@H](C)O1 ZINC000370653919 556931967 /nfs/dbraw/zinc/93/19/67/556931967.db2.gz VGRJQQMYNUOGOH-CRSSMBPESA-N 1 3 367.578 2.355 20 0 FEADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000370750730 556956872 /nfs/dbraw/zinc/95/68/72/556956872.db2.gz SBBAHHAXWQMAOB-IBGZPJMESA-N 1 3 351.535 2.353 20 0 FEADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000370750730 556956875 /nfs/dbraw/zinc/95/68/75/556956875.db2.gz SBBAHHAXWQMAOB-IBGZPJMESA-N 1 3 351.535 2.353 20 0 FEADHO C[N@@H+]1C[C@@H]2CN(C(=O)C3(N)Cc4ccccc4C3)C[C@H]2[C@H]1c1ccccc1 ZINC000370770929 556963181 /nfs/dbraw/zinc/96/31/81/556963181.db2.gz FOXFUKHYCLOOFK-NJDAHSKKSA-N 1 3 361.489 2.244 20 0 FEADHO C[N@H+]1C[C@@H]2CN(C(=O)C3(N)Cc4ccccc4C3)C[C@H]2[C@H]1c1ccccc1 ZINC000370770929 556963182 /nfs/dbraw/zinc/96/31/82/556963182.db2.gz FOXFUKHYCLOOFK-NJDAHSKKSA-N 1 3 361.489 2.244 20 0 FEADHO O=C(NC1CCN(CCc2ccncc2)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000370778242 556965767 /nfs/dbraw/zinc/96/57/67/556965767.db2.gz DSZYOEFTXWWXBH-HOJAQTOUSA-N 1 3 356.514 2.125 20 0 FEADHO [NH2+]=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1ccccc1OC(F)(F)F ZINC000370815628 556977307 /nfs/dbraw/zinc/97/73/07/556977307.db2.gz ZPJPLKGTSMKHBN-NWDGAFQWSA-N 1 3 358.364 2.385 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000517135445 562076932 /nfs/dbraw/zinc/07/69/32/562076932.db2.gz ZWMXIJQAMHSUEZ-FQEVSTJZSA-N 1 3 374.573 2.465 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000517418566 562089638 /nfs/dbraw/zinc/08/96/38/562089638.db2.gz CSSFBDPZRUPEAO-IRXDYDNUSA-N 1 3 368.566 2.295 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000517418566 562089639 /nfs/dbraw/zinc/08/96/39/562089639.db2.gz CSSFBDPZRUPEAO-IRXDYDNUSA-N 1 3 368.566 2.295 20 0 FEADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000371688027 557263822 /nfs/dbraw/zinc/26/38/22/557263822.db2.gz CGYLCUFFGIKMKU-HXUWFJFHSA-N 1 3 370.472 2.466 20 0 FEADHO O=C(NC[C@H]1CCCN1CCc1ccccc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000371858107 557312756 /nfs/dbraw/zinc/31/27/56/557312756.db2.gz GYOURFGNDZHSJZ-PZJWPPBQSA-N 1 3 370.541 2.477 20 0 FEADHO O=C(NC[C@H]1CCCN1CCc1ccccc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000371858107 557312759 /nfs/dbraw/zinc/31/27/59/557312759.db2.gz GYOURFGNDZHSJZ-PZJWPPBQSA-N 1 3 370.541 2.477 20 0 FEADHO COC1CC[NH+](C(C)(C)CNC(=O)Nc2cccc3c2CCNC3)CC1 ZINC000518935890 562121295 /nfs/dbraw/zinc/12/12/95/562121295.db2.gz DPQCIIBORFRPAK-UHFFFAOYSA-N 1 3 360.502 2.343 20 0 FEADHO CC(C)N1CCN([C@H]2CC[N@H+](CCN(C)Cc3ccc(F)cc3)C2)CC1 ZINC000372337603 557444061 /nfs/dbraw/zinc/44/40/61/557444061.db2.gz NQIWVQCWKGMIJT-NRFANRHFSA-N 1 3 362.537 2.358 20 0 FEADHO CC(C)N1CCN([C@H]2CC[N@@H+](CCN(C)Cc3ccc(F)cc3)C2)CC1 ZINC000372337603 557444065 /nfs/dbraw/zinc/44/40/65/557444065.db2.gz NQIWVQCWKGMIJT-NRFANRHFSA-N 1 3 362.537 2.358 20 0 FEADHO CSC1(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN(C)CC1 ZINC000519492545 562132746 /nfs/dbraw/zinc/13/27/46/562132746.db2.gz NEYCPMZCOOZRNS-MQVJKMGUSA-N 1 3 354.564 2.128 20 0 FEADHO CSC1(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN(C)CC1 ZINC000519492545 562132747 /nfs/dbraw/zinc/13/27/47/562132747.db2.gz NEYCPMZCOOZRNS-MQVJKMGUSA-N 1 3 354.564 2.128 20 0 FEADHO CN(C(=O)C[C@H]1CCCC[C@@H]1[NH3+])C1CCN(CCc2ccccn2)CC1 ZINC000519613835 562137136 /nfs/dbraw/zinc/13/71/36/562137136.db2.gz YSQUIRJNXKCMSA-XLIONFOSSA-N 1 3 358.530 2.455 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000372974611 557601080 /nfs/dbraw/zinc/60/10/80/557601080.db2.gz AXNKETJUAOTRTK-RBUKOAKNSA-N 1 3 366.550 2.147 20 0 FEADHO CSC1(CNC(=O)Nc2ccc3c(c2)CNCCO3)CC[NH+](C)CC1 ZINC000519589257 562135953 /nfs/dbraw/zinc/13/59/53/562135953.db2.gz OKFNKQQYYYBRQU-UHFFFAOYSA-N 1 3 364.515 2.118 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCCO1 ZINC000373008243 557608963 /nfs/dbraw/zinc/60/89/63/557608963.db2.gz MKIGSJWZYAARAZ-GOSISDBHSA-N 1 3 366.550 2.005 20 0 FEADHO C[C@H]1C[N@H+](CCCNC[C@H](O)COCc2ccc(Cl)cc2)CCCO1 ZINC000520219888 562150903 /nfs/dbraw/zinc/15/09/03/562150903.db2.gz MUDQMZMWYMPXOY-LPHOPBHVSA-N 1 3 370.921 2.308 20 0 FEADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)COCc2ccc(Cl)cc2)CCCO1 ZINC000520219888 562150904 /nfs/dbraw/zinc/15/09/04/562150904.db2.gz MUDQMZMWYMPXOY-LPHOPBHVSA-N 1 3 370.921 2.308 20 0 FEADHO Cc1cccc(CN2CCC(NC(=O)c3csc(CC[NH3+])n3)CC2)c1 ZINC000373558986 557717937 /nfs/dbraw/zinc/71/79/37/557717937.db2.gz FOQXZADATCPXLU-UHFFFAOYSA-N 1 3 358.511 2.347 20 0 FEADHO COc1ccc(CN(C)C(=O)CN2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000374075765 557819039 /nfs/dbraw/zinc/81/90/39/557819039.db2.gz WPRVZKDTRBBFCM-UHFFFAOYSA-N 1 3 359.514 2.461 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCCN(c3cncc(F)c3)CC2)CC1 ZINC000374302079 557861738 /nfs/dbraw/zinc/86/17/38/557861738.db2.gz LLUFLKRTVVEPOA-UHFFFAOYSA-N 1 3 363.525 2.149 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCCN(c3cncc(F)c3)CC2)CC1 ZINC000374302079 557861740 /nfs/dbraw/zinc/86/17/40/557861740.db2.gz LLUFLKRTVVEPOA-UHFFFAOYSA-N 1 3 363.525 2.149 20 0 FEADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CCCCN1C1CCCC1 ZINC000375427449 558024933 /nfs/dbraw/zinc/02/49/33/558024933.db2.gz TZVQJNIOOQITMT-PXNSSMCTSA-N 1 3 363.546 2.401 20 0 FEADHO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H](N)C3CCOCC3)CC2)cc1 ZINC000375710776 558071024 /nfs/dbraw/zinc/07/10/24/558071024.db2.gz IWCFXUNUKVHSKM-HXUWFJFHSA-N 1 3 359.514 2.077 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000375967073 558106911 /nfs/dbraw/zinc/10/69/11/558106911.db2.gz AESLBCQTQSULBV-OAHLLOKOSA-N 1 3 351.441 2.245 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@@H]3c3cc[nH]n3)CC2)CC1 ZINC000376698932 558210381 /nfs/dbraw/zinc/21/03/81/558210381.db2.gz GDUQJNKBPRZOFV-LJQANCHMSA-N 1 3 374.533 2.205 20 0 FEADHO C[C@@H](NC(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000376798981 558222940 /nfs/dbraw/zinc/22/29/40/558222940.db2.gz MBWFFNCHZWBDEG-WBVHZDCISA-N 1 3 364.559 2.026 20 0 FEADHO CCC[NH+]1CCC(N2CCN(C(=O)[C@@H](C)[C@@H](N)c3ccccc3)CC2)CC1 ZINC000378201491 558501540 /nfs/dbraw/zinc/50/15/40/558501540.db2.gz DJVXPCMCQMZOAL-GHTZIAJQSA-N 1 3 372.557 2.341 20 0 FEADHO CC(C)[C@H]1C[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000378387148 558545459 /nfs/dbraw/zinc/54/54/59/558545459.db2.gz XNAQXBHMKUDRJV-PKOBYXMFSA-N 1 3 366.550 2.048 20 0 FEADHO CC[NH+]1CCC(NC[C@H](O)COc2cccc(Br)c2)CC1 ZINC000387387717 558607597 /nfs/dbraw/zinc/60/75/97/558607597.db2.gz IUGCZZACTYWDKA-HNNXBMFYSA-N 1 3 357.292 2.263 20 0 FEADHO COC[C@@H](C)OC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390871828 558612512 /nfs/dbraw/zinc/61/25/12/558612512.db2.gz JYMNXJJCAWDXKC-FWZVCBSNSA-N 1 3 362.514 2.184 20 0 FEADHO COC[C@@H](C)OC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390871828 558612514 /nfs/dbraw/zinc/61/25/14/558612514.db2.gz JYMNXJJCAWDXKC-FWZVCBSNSA-N 1 3 362.514 2.184 20 0 FEADHO C[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](C)S1 ZINC000525254847 562244205 /nfs/dbraw/zinc/24/42/05/562244205.db2.gz XUJCBXSFEYMKHF-GJZGRUSLSA-N 1 3 354.564 2.080 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CCC3)CC2)ccc1CN(C)C ZINC000411588312 558924182 /nfs/dbraw/zinc/92/41/82/558924182.db2.gz LUWBQJKRVFAIRF-UHFFFAOYSA-N 1 3 372.513 2.128 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000411716035 558949437 /nfs/dbraw/zinc/94/94/37/558949437.db2.gz DCWIDEQNPXXTFM-WOJBJXKFSA-N 1 3 359.514 2.314 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1scnc1C ZINC000411826973 558971592 /nfs/dbraw/zinc/97/15/92/558971592.db2.gz VXHMMIVGPUYFJO-INIZCTEOSA-N 1 3 352.548 2.259 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1scnc1C ZINC000411826973 558971593 /nfs/dbraw/zinc/97/15/93/558971593.db2.gz VXHMMIVGPUYFJO-INIZCTEOSA-N 1 3 352.548 2.259 20 0 FEADHO O=C(NC[C@H]1CCCCN1C1CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412294417 559025469 /nfs/dbraw/zinc/02/54/69/559025469.db2.gz ROSFZISSBQPWSL-QZTJIDSGSA-N 1 3 351.560 2.337 20 0 FEADHO COC(=O)c1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(C)cc1C ZINC000526074626 562266093 /nfs/dbraw/zinc/26/60/93/562266093.db2.gz MYEMVBLAVGBEDN-UHFFFAOYSA-N 1 3 364.490 2.047 20 0 FEADHO C[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC000414195656 559152554 /nfs/dbraw/zinc/15/25/54/559152554.db2.gz OCDCBPQIOSDAKU-HNNXBMFYSA-N 1 3 352.910 2.182 20 0 FEADHO CN1CCC(C[NH2+][C@H]2CCCc3c(O)cccc32)(N2CCOCC2)CC1 ZINC000414197134 559152646 /nfs/dbraw/zinc/15/26/46/559152646.db2.gz PGRVDJPZJRCLEH-IBGZPJMESA-N 1 3 359.514 2.156 20 0 FEADHO COc1cc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)ccc1F ZINC000414207643 559153214 /nfs/dbraw/zinc/15/32/14/559153214.db2.gz ZNNIVIJZHZRBBX-MRXNPFEDSA-N 1 3 365.493 2.282 20 0 FEADHO CN1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000414307852 559155477 /nfs/dbraw/zinc/15/54/77/559155477.db2.gz PPHBPYNLOWPVGA-ACRUOGEOSA-N 1 3 357.542 2.476 20 0 FEADHO CN1CCC(C[NH2+]Cc2ccc3ncccc3c2)(N2CCOCC2)CC1 ZINC000414476868 559167403 /nfs/dbraw/zinc/16/74/03/559167403.db2.gz ABHWUWFSDODDSR-UHFFFAOYSA-N 1 3 354.498 2.121 20 0 FEADHO CN1CCC(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)(N2CCOCC2)CC1 ZINC000414481870 559167768 /nfs/dbraw/zinc/16/77/68/559167768.db2.gz KYEJJVLNHXHIDT-IRXDYDNUSA-N 1 3 355.592 2.293 20 0 FEADHO Cc1cc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc2cccnc12 ZINC000414485552 559168180 /nfs/dbraw/zinc/16/81/80/559168180.db2.gz PMTXRFCXJDAWTG-UHFFFAOYSA-N 1 3 368.525 2.429 20 0 FEADHO C[N@@H+](Cc1ccc(Br)s1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414679146 559179033 /nfs/dbraw/zinc/17/90/33/559179033.db2.gz LEPWYMRGWWZYIZ-LLVKDONJSA-N 1 3 360.321 2.140 20 0 FEADHO C[N@H+](Cc1ccc(Br)s1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414679146 559179034 /nfs/dbraw/zinc/17/90/34/559179034.db2.gz LEPWYMRGWWZYIZ-LLVKDONJSA-N 1 3 360.321 2.140 20 0 FEADHO CC1CCC([N@H+](C[C@H]2CCCO2)C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414693080 559180040 /nfs/dbraw/zinc/18/00/40/559180040.db2.gz DIZLQZJWPGYXMW-VLOYRQLPSA-N 1 3 351.535 2.243 20 0 FEADHO CC1CCC([N@@H+](C[C@H]2CCCO2)C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414693080 559180041 /nfs/dbraw/zinc/18/00/41/559180041.db2.gz DIZLQZJWPGYXMW-VLOYRQLPSA-N 1 3 351.535 2.243 20 0 FEADHO CC(C)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1Br ZINC000414715848 559181697 /nfs/dbraw/zinc/18/16/97/559181697.db2.gz XGTNTDIHPSKIQE-ZDUSSCGKSA-N 1 3 368.319 2.471 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2)cc1 ZINC000414739904 559183793 /nfs/dbraw/zinc/18/37/93/559183793.db2.gz ZZABGAGNMUWLRE-MRXNPFEDSA-N 1 3 368.481 2.235 20 0 FEADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)C(=O)Nc1ccccc1C ZINC000414745702 559184180 /nfs/dbraw/zinc/18/41/80/559184180.db2.gz PVGAUURFGIJYMF-MSOLQXFVSA-N 1 3 374.529 2.231 20 0 FEADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)C(=O)Nc1ccccc1C ZINC000414745702 559184181 /nfs/dbraw/zinc/18/41/81/559184181.db2.gz PVGAUURFGIJYMF-MSOLQXFVSA-N 1 3 374.529 2.231 20 0 FEADHO CN(Cc1cc(Br)ccc1F)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414752070 559184921 /nfs/dbraw/zinc/18/49/21/559184921.db2.gz TTZVLOFMYLLLDH-GFCCVEGCSA-N 1 3 372.282 2.217 20 0 FEADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000414769534 559186597 /nfs/dbraw/zinc/18/65/97/559186597.db2.gz KIYOZGAOABMTPG-AEFFLSMTSA-N 1 3 361.877 2.249 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000414844351 559190591 /nfs/dbraw/zinc/19/05/91/559190591.db2.gz CTBLDSNTNLHKML-HZPDHXFCSA-N 1 3 360.502 2.114 20 0 FEADHO Cc1ccccc1NC(=O)C[C@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414971380 559198060 /nfs/dbraw/zinc/19/80/60/559198060.db2.gz IHICZYGYYOHQJO-HOCLYGCPSA-N 1 3 372.435 2.138 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)Nc1ccc(CCN2CCSCC2)cc1)C(F)F ZINC000415065639 559203483 /nfs/dbraw/zinc/20/34/83/559203483.db2.gz GWURUSFPSAWBSR-OAHLLOKOSA-N 1 3 372.485 2.382 20 0 FEADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415069230 559203799 /nfs/dbraw/zinc/20/37/99/559203799.db2.gz OMMGNVLUVHDVEB-WBVHZDCISA-N 1 3 362.543 2.479 20 0 FEADHO Cc1cc(C)c(CN2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1C ZINC000415134023 559207344 /nfs/dbraw/zinc/20/73/44/559207344.db2.gz DGCLPDPMZXRFGD-VQTJNVASSA-N 1 3 356.514 2.332 20 0 FEADHO C[C@H](Cc1ccccc1)CN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415134761 559207621 /nfs/dbraw/zinc/20/76/21/559207621.db2.gz DYBFQIGWNQVDOG-NSISKUIASA-N 1 3 356.514 2.085 20 0 FEADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415203410 559214518 /nfs/dbraw/zinc/21/45/18/559214518.db2.gz RYSUZYDDJLYEOM-IBGZPJMESA-N 1 3 370.497 2.142 20 0 FEADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415203410 559214519 /nfs/dbraw/zinc/21/45/19/559214519.db2.gz RYSUZYDDJLYEOM-IBGZPJMESA-N 1 3 370.497 2.142 20 0 FEADHO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415493971 559243165 /nfs/dbraw/zinc/24/31/65/559243165.db2.gz VKTDZOLUWULCPA-UHFFFAOYSA-N 1 3 360.502 2.054 20 0 FEADHO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415977629 559286434 /nfs/dbraw/zinc/28/64/34/559286434.db2.gz SPKBQAVPNCVZRC-UHFFFAOYSA-N 1 3 358.442 2.357 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416829662 559334167 /nfs/dbraw/zinc/33/41/67/559334167.db2.gz FTZBFTCEDWFTTN-AABGKKOBSA-N 1 3 358.530 2.190 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NC[C@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000416840527 559334601 /nfs/dbraw/zinc/33/46/01/559334601.db2.gz FQYNJTIPINXMDG-QFBILLFUSA-N 1 3 360.502 2.131 20 0 FEADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000416843663 559334878 /nfs/dbraw/zinc/33/48/78/559334878.db2.gz PEUIDJXJADGWEM-XUVXKRRUSA-N 1 3 356.514 2.292 20 0 FEADHO CCCN(C(=O)NCc1ccc(OCCN(C)C)cc1)C1CC[NH2+]CC1 ZINC000416966643 559340763 /nfs/dbraw/zinc/34/07/63/559340763.db2.gz FTYSZLVUOGDVQS-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416974007 559341204 /nfs/dbraw/zinc/34/12/04/559341204.db2.gz KONOOVNRITVREF-UYAOXDASSA-N 1 3 356.514 2.087 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000416974802 559341349 /nfs/dbraw/zinc/34/13/49/559341349.db2.gz MVLHWMCJOBZBCZ-JWTNVVGKSA-N 1 3 360.502 2.051 20 0 FEADHO CC[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)N1CCc2ccccc2C1 ZINC000417005666 559343345 /nfs/dbraw/zinc/34/33/45/559343345.db2.gz DUYRQJVYVAUHQO-JKSUJKDBSA-N 1 3 354.445 2.105 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccsc1 ZINC000417011335 559343631 /nfs/dbraw/zinc/34/36/31/559343631.db2.gz RPRNAYAHSHQACH-BHYGNILZSA-N 1 3 350.532 2.382 20 0 FEADHO CC(C)(CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2ccccc2C1 ZINC000417089938 559347252 /nfs/dbraw/zinc/34/72/52/559347252.db2.gz SOVJCSVKSNKVJE-MJGOQNOKSA-N 1 3 356.514 2.074 20 0 FEADHO C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@@H](N)c1ccccc1 ZINC000417341762 559358419 /nfs/dbraw/zinc/35/84/19/559358419.db2.gz BSRUKZHPSUTEMN-GOSISDBHSA-N 1 3 356.470 2.126 20 0 FEADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417356996 559359059 /nfs/dbraw/zinc/35/90/59/559359059.db2.gz CTPWGTTVCMDHQK-CVEARBPZSA-N 1 3 350.532 2.354 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417361100 559359195 /nfs/dbraw/zinc/35/91/95/559359195.db2.gz IKSVHMWYIUFPEG-XYJFISCASA-N 1 3 362.543 2.354 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000417367068 559359521 /nfs/dbraw/zinc/35/95/21/559359521.db2.gz PHUAVQLNWYEORC-GOSISDBHSA-N 1 3 362.518 2.204 20 0 FEADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1ccc(OCCN2CCCC2)cc1 ZINC000417596057 559368809 /nfs/dbraw/zinc/36/88/09/559368809.db2.gz PEDBYJFTDLWLRE-IBGZPJMESA-N 1 3 374.529 2.493 20 0 FEADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CNCCC1(F)F)c1ccccc1 ZINC000417622058 559369393 /nfs/dbraw/zinc/36/93/93/559369393.db2.gz IAQHJPHMGXNKSA-UKRRQHHQSA-N 1 3 354.445 2.412 20 0 FEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CNCCC1(F)F)c1ccccc1 ZINC000417622056 559369406 /nfs/dbraw/zinc/36/94/06/559369406.db2.gz IAQHJPHMGXNKSA-DZGCQCFKSA-N 1 3 354.445 2.412 20 0 FEADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417626612 559369623 /nfs/dbraw/zinc/36/96/23/559369623.db2.gz OHCUBMGKHYTXDS-INIZCTEOSA-N 1 3 354.564 2.132 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000417798781 559376872 /nfs/dbraw/zinc/37/68/72/559376872.db2.gz AOTNVMGUFIEWEN-SFHVURJKSA-N 1 3 354.539 2.083 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000417844172 559378961 /nfs/dbraw/zinc/37/89/61/559378961.db2.gz RCIJYLZORXPYFN-VBSBHUPXSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417944758 559383016 /nfs/dbraw/zinc/38/30/16/559383016.db2.gz WSTMIHOKFKUJGS-GPMSIDNRSA-N 1 3 359.518 2.376 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCCN1C ZINC000417993278 559385578 /nfs/dbraw/zinc/38/55/78/559385578.db2.gz AIXPRZFNMGCBEA-HYEGPXJVSA-N 1 3 362.493 2.301 20 0 FEADHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@@H]1CNCCC1(F)F)C1CC1 ZINC000418143647 559391869 /nfs/dbraw/zinc/39/18/69/559391869.db2.gz MKDVNTRHODFABS-DLBZAZTESA-N 1 3 366.456 2.193 20 0 FEADHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@@H]1CNCCC1(F)F)C1CC1 ZINC000418143647 559391870 /nfs/dbraw/zinc/39/18/70/559391870.db2.gz MKDVNTRHODFABS-DLBZAZTESA-N 1 3 366.456 2.193 20 0 FEADHO C[C@H](NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)[C@H](c1ccccc1)N(C)C ZINC000418160152 559392508 /nfs/dbraw/zinc/39/25/08/559392508.db2.gz BAADIZYUBZHHAG-YTQUADARSA-N 1 3 374.529 2.075 20 0 FEADHO C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418166363 559392640 /nfs/dbraw/zinc/39/26/40/559392640.db2.gz JWLUHOIDBLWCGL-INIZCTEOSA-N 1 3 362.518 2.476 20 0 FEADHO CCCN(C)[C@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)cc1 ZINC000418190946 559393431 /nfs/dbraw/zinc/39/34/31/559393431.db2.gz WUHUESCQWAOMRA-TWMKSMIVSA-N 1 3 350.894 2.240 20 0 FEADHO CSC1(CNC(=O)N(CCC[NH3+])Cc2ccccc2)CCN(C)CC1 ZINC000418205067 559394007 /nfs/dbraw/zinc/39/40/07/559394007.db2.gz YRFYBGBUCABPIL-UHFFFAOYSA-N 1 3 364.559 2.374 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCN[C@@H](C)[C@@H]2C)N(C)C)cc1 ZINC000418214692 559394257 /nfs/dbraw/zinc/39/42/57/559394257.db2.gz XPVFSRVZNWKNHQ-BXWFABGCSA-N 1 3 362.518 2.468 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)N(C)C)cc1 ZINC000418214692 559394258 /nfs/dbraw/zinc/39/42/58/559394258.db2.gz XPVFSRVZNWKNHQ-BXWFABGCSA-N 1 3 362.518 2.468 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCN[C@@H](C)[C@@H]2C)[NH+](C)C)cc1 ZINC000418214692 559394259 /nfs/dbraw/zinc/39/42/59/559394259.db2.gz XPVFSRVZNWKNHQ-BXWFABGCSA-N 1 3 362.518 2.468 20 0 FEADHO CCc1ccc([C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)N(CC)CC)cc1 ZINC000418222617 559394510 /nfs/dbraw/zinc/39/45/10/559394510.db2.gz XLSYFHAVFBIROS-ZCNNSNEGSA-N 1 3 358.530 2.493 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CCNC(C)(C)C2)[NH+](C)C)cc1 ZINC000418225893 559394595 /nfs/dbraw/zinc/39/45/95/559394595.db2.gz ABSFCHVAUYHCSU-INIZCTEOSA-N 1 3 350.532 2.405 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[NH2+]C(C)(C)C2)N(C)C)cc1 ZINC000418225893 559394596 /nfs/dbraw/zinc/39/45/96/559394596.db2.gz ABSFCHVAUYHCSU-INIZCTEOSA-N 1 3 350.532 2.405 20 0 FEADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000418236816 559394982 /nfs/dbraw/zinc/39/49/82/559394982.db2.gz CAVIFNOWGVPQCZ-MOPGFXCFSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@@H]1CCC[NH2+]C1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418325936 559397513 /nfs/dbraw/zinc/39/75/13/559397513.db2.gz XGALBGBXOIHHHQ-AQNXPRMDSA-N 1 3 356.514 2.150 20 0 FEADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000418332681 559397856 /nfs/dbraw/zinc/39/78/56/559397856.db2.gz DLEABCUVLMLMTO-WBVHZDCISA-N 1 3 350.482 2.287 20 0 FEADHO O=C(NCC[C@H]1CCC[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418550679 559405786 /nfs/dbraw/zinc/40/57/86/559405786.db2.gz OKCJXRLJRPADBD-SLFFLAALSA-N 1 3 356.514 2.292 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418564959 559406420 /nfs/dbraw/zinc/40/64/20/559406420.db2.gz KKCNVUCRVPSRRY-CRAIPNDOSA-N 1 3 366.456 2.146 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CCCN(CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000418616734 559408017 /nfs/dbraw/zinc/40/80/17/559408017.db2.gz YWIKGKMURXBSPD-UYAOXDASSA-N 1 3 358.530 2.477 20 0 FEADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418647785 559409342 /nfs/dbraw/zinc/40/93/42/559409342.db2.gz YMFFPQKLXREQDE-FQEVSTJZSA-N 1 3 356.514 2.391 20 0 FEADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418691375 559411403 /nfs/dbraw/zinc/41/14/03/559411403.db2.gz DTLSKWCBAUAOKK-CHWSQXEVSA-N 1 3 371.323 2.258 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000418733625 559412961 /nfs/dbraw/zinc/41/29/61/559412961.db2.gz VFTFJTOYTKQGJM-WMZOPIPTSA-N 1 3 362.518 2.286 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)NCCC[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000418750613 559413950 /nfs/dbraw/zinc/41/39/50/559413950.db2.gz OQPJFPZLFXXWTI-SCTDSRPQSA-N 1 3 366.550 2.049 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418807021 559416903 /nfs/dbraw/zinc/41/69/03/559416903.db2.gz YTXDFSMJEHHJQK-BPQIPLTHSA-N 1 3 362.493 2.287 20 0 FEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1 ZINC000420309093 559479705 /nfs/dbraw/zinc/47/97/05/559479705.db2.gz DKORVPWQMOZFJJ-IEBWSBKVSA-N 1 3 357.502 2.358 20 0 FEADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1 ZINC000420309093 559479706 /nfs/dbraw/zinc/47/97/06/559479706.db2.gz DKORVPWQMOZFJJ-IEBWSBKVSA-N 1 3 357.502 2.358 20 0 FEADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1 ZINC000420309093 559479707 /nfs/dbraw/zinc/47/97/07/559479707.db2.gz DKORVPWQMOZFJJ-IEBWSBKVSA-N 1 3 357.502 2.358 20 0 FEADHO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420340469 559481814 /nfs/dbraw/zinc/48/18/14/559481814.db2.gz PKQVWLKTFFYJPD-ZACQAIPSSA-N 1 3 354.498 2.147 20 0 FEADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000420343745 559482010 /nfs/dbraw/zinc/48/20/10/559482010.db2.gz REAANSRWSUERMB-SJORKVTESA-N 1 3 358.486 2.273 20 0 FEADHO CC(C)Oc1ccc(CCNC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420345088 559482101 /nfs/dbraw/zinc/48/21/01/559482101.db2.gz VESIFJTWWGBBCW-KDURUIRLSA-N 1 3 359.514 2.064 20 0 FEADHO Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420345788 559482153 /nfs/dbraw/zinc/48/21/53/559482153.db2.gz WQVFVFLAMIOWNX-SJORKVTESA-N 1 3 358.486 2.273 20 0 FEADHO Cc1ccc(-c2noc(CCCN3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc1F ZINC000420348061 559482353 /nfs/dbraw/zinc/48/23/53/559482353.db2.gz JHUVDLIBNQKLKC-QGZVFWFLSA-N 1 3 373.476 2.096 20 0 FEADHO Cc1ccccc1CCCN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420401603 559485859 /nfs/dbraw/zinc/48/58/59/559485859.db2.gz LEDAQEPYOSXAPR-WOJBJXKFSA-N 1 3 356.514 2.148 20 0 FEADHO CCOC(=O)c1coc(CN2CCC[N@@H+](C3CCN(CC)CC3)CC2)c1 ZINC000421371321 559540568 /nfs/dbraw/zinc/54/05/68/559540568.db2.gz JOPHSFFHFKVPOQ-UHFFFAOYSA-N 1 3 363.502 2.448 20 0 FEADHO CCOC(=O)c1coc(CN2CCC[N@H+](C3CCN(CC)CC3)CC2)c1 ZINC000421371321 559540569 /nfs/dbraw/zinc/54/05/69/559540569.db2.gz JOPHSFFHFKVPOQ-UHFFFAOYSA-N 1 3 363.502 2.448 20 0 FEADHO NC[C@H]1CCC[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422856126 559608682 /nfs/dbraw/zinc/60/86/82/559608682.db2.gz DQIVTXGWPVWULN-UKRRQHHQSA-N 1 3 354.292 2.286 20 0 FEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000422707568 559603836 /nfs/dbraw/zinc/60/38/36/559603836.db2.gz HQEANGNBNXUFLT-AUSIDOKSSA-N 1 3 366.553 2.482 20 0 FEADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000422707568 559603837 /nfs/dbraw/zinc/60/38/37/559603837.db2.gz HQEANGNBNXUFLT-AUSIDOKSSA-N 1 3 366.553 2.482 20 0 FEADHO N[C@H]1C[C@@H]([NH2+]CCCCN2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000422719436 559604387 /nfs/dbraw/zinc/60/43/87/559604387.db2.gz REGRTHOBQGPTHS-VQTJNVASSA-N 1 3 366.513 2.113 20 0 FEADHO [NH3+][C@H]1C[C@@H](NCCCCN2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000422719436 559604388 /nfs/dbraw/zinc/60/43/88/559604388.db2.gz REGRTHOBQGPTHS-VQTJNVASSA-N 1 3 366.513 2.113 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422758170 559605698 /nfs/dbraw/zinc/60/56/98/559605698.db2.gz JCVGQFIRSABBJN-ZQDZILKHSA-N 1 3 355.429 2.209 20 0 FEADHO COc1ccc(CN2CCC(C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)CC2)cc1 ZINC000422786535 559606574 /nfs/dbraw/zinc/60/65/74/559606574.db2.gz SLEDDEFFCIBSIH-FCHUYYIVSA-N 1 3 373.541 2.264 20 0 FEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000422804780 559607136 /nfs/dbraw/zinc/60/71/36/559607136.db2.gz FQFCJKOZDDEYKB-IJERAIBMSA-N 1 3 361.530 2.138 20 0 FEADHO FC(F)(F)CN1CCC(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422816483 559607422 /nfs/dbraw/zinc/60/74/22/559607422.db2.gz FKJXYFJILJSDEB-GVDBMIGSSA-N 1 3 363.468 2.398 20 0 FEADHO COc1cc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000422835335 559607931 /nfs/dbraw/zinc/60/79/31/559607931.db2.gz YNIIWBQMTGGUSH-FPMFFAJLSA-N 1 3 362.392 2.478 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCN(Cc2ccccc2)CC1)c1cnccc1N ZINC000422834196 559607997 /nfs/dbraw/zinc/60/79/97/559607997.db2.gz NKTXTBHITZUIMK-GOSISDBHSA-N 1 3 353.514 2.353 20 0 FEADHO C(N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1(CN2CCOCC2)CCCCC1 ZINC000422846231 559608383 /nfs/dbraw/zinc/60/83/83/559608383.db2.gz FCEJUIIOYOXALN-SLFFLAALSA-N 1 3 365.562 2.016 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2ccc(OCC3CC3)nc2)CC[NH2+]CC1 ZINC000422974270 559613526 /nfs/dbraw/zinc/61/35/26/559613526.db2.gz QTAKOGMFNNDSCS-HNNXBMFYSA-N 1 3 361.486 2.281 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422992165 559614364 /nfs/dbraw/zinc/61/43/64/559614364.db2.gz QSRRVSRWVRVYJD-YVVXQTMVSA-N 1 3 360.420 2.198 20 0 FEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422992165 559614365 /nfs/dbraw/zinc/61/43/65/559614365.db2.gz QSRRVSRWVRVYJD-YVVXQTMVSA-N 1 3 360.420 2.198 20 0 FEADHO FC(F)(F)COc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000423055065 559616801 /nfs/dbraw/zinc/61/68/01/559616801.db2.gz VPSOGHLSXZRSHC-OWCLPIDISA-N 1 3 373.419 2.312 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423067275 559617259 /nfs/dbraw/zinc/61/72/59/559617259.db2.gz GTHQFVPFIDGQSC-JSGCOSHPSA-N 1 3 360.285 2.442 20 0 FEADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(Br)cc1 ZINC000423078566 559617769 /nfs/dbraw/zinc/61/77/69/559617769.db2.gz WFJRAQLIKDLKTQ-JTUUTPGSSA-N 1 3 353.304 2.473 20 0 FEADHO CCCOc1c(OC)cc(CCN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1OC ZINC000423158111 559621249 /nfs/dbraw/zinc/62/12/49/559621249.db2.gz WGUREWRYQVCEHH-USXIJHARSA-N 1 3 366.502 2.377 20 0 FEADHO CCCOc1c(OC)cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)cc1OC ZINC000423158111 559621250 /nfs/dbraw/zinc/62/12/50/559621250.db2.gz WGUREWRYQVCEHH-USXIJHARSA-N 1 3 366.502 2.377 20 0 FEADHO OC[C@H](CN[C@@H]1CCC[NH2+]CC1)Cc1cc(F)cc(Br)c1 ZINC000423173477 559621914 /nfs/dbraw/zinc/62/19/14/559621914.db2.gz YWACMXIIABDJKF-XJKSGUPXSA-N 1 3 359.283 2.471 20 0 FEADHO C[C@@H](NCc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423184839 559622306 /nfs/dbraw/zinc/62/23/06/559622306.db2.gz NLNBQPXOYQMBBB-UZLBHIALSA-N 1 3 358.530 2.004 20 0 FEADHO C[C@H]([NH2+][C@@H](CN)C1CCCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423262027 559624055 /nfs/dbraw/zinc/62/40/55/559624055.db2.gz LLRIMCXRDSSBME-KSSFIOAISA-N 1 3 353.532 2.495 20 0 FEADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cccc(N2CCCS2(=O)=O)c1 ZINC000423276194 559624357 /nfs/dbraw/zinc/62/43/57/559624357.db2.gz MPQKADKXRCBJGY-QILLFSRXSA-N 1 3 351.516 2.395 20 0 FEADHO C[NH2+]CCc1ccccc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000423789100 559639552 /nfs/dbraw/zinc/63/95/52/559639552.db2.gz SNZOTWYVDPOELX-UHFFFAOYSA-N 1 3 352.482 2.490 20 0 FEADHO O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000423848724 559642629 /nfs/dbraw/zinc/64/26/29/559642629.db2.gz NRUKABSEIDCONG-UYAOXDASSA-N 1 3 359.514 2.174 20 0 FEADHO NC(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C(F)(F)F ZINC000423913159 559645336 /nfs/dbraw/zinc/64/53/36/559645336.db2.gz WYIOKORRZHJQAQ-OWCLPIDISA-N 1 3 355.404 2.389 20 0 FEADHO NC(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C(F)(F)F ZINC000423913159 559645337 /nfs/dbraw/zinc/64/53/37/559645337.db2.gz WYIOKORRZHJQAQ-OWCLPIDISA-N 1 3 355.404 2.389 20 0 FEADHO [NH3+]C1(CNC(=O)c2ccc3cncn3c2)CCN(Cc2ccccc2)CC1 ZINC000424019133 559651264 /nfs/dbraw/zinc/65/12/64/559651264.db2.gz LEBCSENPZSXWIA-UHFFFAOYSA-N 1 3 363.465 2.058 20 0 FEADHO C[C@@H]1CC2(CN1CC(=O)N(C)CCOc1ccccc1F)CC[NH2+]CC2 ZINC000424295314 559660968 /nfs/dbraw/zinc/66/09/68/559660968.db2.gz RGCUBAZNLJVEQV-MRXNPFEDSA-N 1 3 363.477 2.127 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N[C@@H]3CCCC[C@H]3[NH3+])CC2)cc1 ZINC000424453845 559665705 /nfs/dbraw/zinc/66/57/05/559665705.db2.gz MIKPILAQGRZJBB-WOJBJXKFSA-N 1 3 374.529 2.476 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425747217 559717388 /nfs/dbraw/zinc/71/73/88/559717388.db2.gz VHOHOWHJUCENSC-BTHPGYMESA-N 1 3 356.514 2.243 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425747217 559717389 /nfs/dbraw/zinc/71/73/89/559717389.db2.gz VHOHOWHJUCENSC-BTHPGYMESA-N 1 3 356.514 2.243 20 0 FEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000426512121 559736329 /nfs/dbraw/zinc/73/63/29/559736329.db2.gz ATQBSSYWDPCXRU-IBGZPJMESA-N 1 3 360.546 2.435 20 0 FEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000426512121 559736330 /nfs/dbraw/zinc/73/63/30/559736330.db2.gz ATQBSSYWDPCXRU-IBGZPJMESA-N 1 3 360.546 2.435 20 0 FEADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)C[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427265836 559751807 /nfs/dbraw/zinc/75/18/07/559751807.db2.gz PEYJDLYWZWGWHS-WMZOPIPTSA-N 1 3 372.513 2.102 20 0 FEADHO CCN1CCN(c2ccccc2C[NH+]2CCC(Cn3cncn3)CC2)CC1 ZINC000428480783 559776381 /nfs/dbraw/zinc/77/63/81/559776381.db2.gz IXSGWIUYGHIYFT-UHFFFAOYSA-N 1 3 368.529 2.332 20 0 FEADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)C3(C[NH3+])CCCC3)cc2)CC1 ZINC000430775517 559827981 /nfs/dbraw/zinc/82/79/81/559827981.db2.gz HBBAIIYHLABIIU-UHFFFAOYSA-N 1 3 373.501 2.360 20 0 FEADHO CN(C)[C@H](CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000431785874 559845877 /nfs/dbraw/zinc/84/58/77/559845877.db2.gz QHSKKKQLUXKCII-FXAWDEMLSA-N 1 3 359.514 2.297 20 0 FEADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000432854228 559866236 /nfs/dbraw/zinc/86/62/36/559866236.db2.gz MVDBCIFWNAMALQ-YRPNKDGESA-N 1 3 371.529 2.343 20 0 FEADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000432854228 559866237 /nfs/dbraw/zinc/86/62/37/559866237.db2.gz MVDBCIFWNAMALQ-YRPNKDGESA-N 1 3 371.529 2.343 20 0 FEADHO C[C@H](c1cccc(NC(=O)CCCN2CCC([NH3+])CC2)c1)N1CCOCC1 ZINC000433123084 559872654 /nfs/dbraw/zinc/87/26/54/559872654.db2.gz XYIGEJJCGJOZDX-QGZVFWFLSA-N 1 3 374.529 2.222 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCCO1 ZINC000433398345 559880070 /nfs/dbraw/zinc/88/00/70/559880070.db2.gz FZCLPWKEGLQHFP-MJGOQNOKSA-N 1 3 366.550 2.051 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCCO1 ZINC000433398345 559880071 /nfs/dbraw/zinc/88/00/71/559880071.db2.gz FZCLPWKEGLQHFP-MJGOQNOKSA-N 1 3 366.550 2.051 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000436228798 559938114 /nfs/dbraw/zinc/93/81/14/559938114.db2.gz BUQXZQLPBCOAJM-VXKWHMMOSA-N 1 3 359.558 2.378 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnn(CC(C)C)c1 ZINC000438566179 559980737 /nfs/dbraw/zinc/98/07/37/559980737.db2.gz GIROMOVNZWETBS-SFHVURJKSA-N 1 3 364.538 2.419 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnn(CC(C)C)c1 ZINC000438566179 559980738 /nfs/dbraw/zinc/98/07/38/559980738.db2.gz GIROMOVNZWETBS-SFHVURJKSA-N 1 3 364.538 2.419 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000438869238 559984750 /nfs/dbraw/zinc/98/47/50/559984750.db2.gz RMGNEIQBZKNNGD-FUHWJXTLSA-N 1 3 356.580 2.233 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000438869238 559984751 /nfs/dbraw/zinc/98/47/51/559984751.db2.gz RMGNEIQBZKNNGD-FUHWJXTLSA-N 1 3 356.580 2.233 20 0 FEADHO COc1cc(NC(=O)CCN2C[C@@H](C[NH3+])C[C@H]2C)c(OC)cc1Cl ZINC000442763617 560056660 /nfs/dbraw/zinc/05/66/60/560056660.db2.gz BCLYBCFKHWBEQC-VXGBXAGGSA-N 1 3 355.866 2.355 20 0 FEADHO COCCc1nc(C)c([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)s1 ZINC000442892733 560061099 /nfs/dbraw/zinc/06/10/99/560061099.db2.gz VYDWOVSCDFFEGO-CQSZACIVSA-N 1 3 354.564 2.317 20 0 FEADHO CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443070339 560069303 /nfs/dbraw/zinc/06/93/03/560069303.db2.gz LASQYLKQBROVBP-AWEZNQCLSA-N 1 3 355.429 2.307 20 0 FEADHO OC(CN1CCC[C@H]1C1CCOCC1)C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000447310924 560160059 /nfs/dbraw/zinc/16/00/59/560160059.db2.gz CVZQCFRIELXDFJ-SFTDATJTSA-N 1 3 366.546 2.129 20 0 FEADHO OC(CN1CCC[C@H]1C1CCOCC1)C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000447310924 560160060 /nfs/dbraw/zinc/16/00/60/560160060.db2.gz CVZQCFRIELXDFJ-SFTDATJTSA-N 1 3 366.546 2.129 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)N2CCC(OC)CC2)[C@@H](C)C1 ZINC000448524659 560188940 /nfs/dbraw/zinc/18/89/40/560188940.db2.gz KEYXLEJRLHDKDI-WMZOPIPTSA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)N2CCC(OC)CC2)[C@@H](C)C1 ZINC000448524659 560188941 /nfs/dbraw/zinc/18/89/41/560188941.db2.gz KEYXLEJRLHDKDI-WMZOPIPTSA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@@H](C)C1 ZINC000448521824 560189033 /nfs/dbraw/zinc/18/90/33/560189033.db2.gz QKJSECYUQVDCOQ-PXNSSMCTSA-N 1 3 372.557 2.457 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@@H](C)C1 ZINC000448521824 560189035 /nfs/dbraw/zinc/18/90/35/560189035.db2.gz QKJSECYUQVDCOQ-PXNSSMCTSA-N 1 3 372.557 2.457 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCSCC2 ZINC000448851987 560202863 /nfs/dbraw/zinc/20/28/63/560202863.db2.gz GVCAXLYXUBVNAS-SJORKVTESA-N 1 3 353.576 2.394 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCSCC2 ZINC000448851987 560202864 /nfs/dbraw/zinc/20/28/64/560202864.db2.gz GVCAXLYXUBVNAS-SJORKVTESA-N 1 3 353.576 2.394 20 0 FEADHO CN(C)C1(CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)Cc2ccccc2C1 ZINC000449354104 560226439 /nfs/dbraw/zinc/22/64/39/560226439.db2.gz KEBMFNWUHFJHOZ-HSZRJFAPSA-N 1 3 363.505 2.133 20 0 FEADHO OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000449388510 560228408 /nfs/dbraw/zinc/22/84/08/560228408.db2.gz AEUXREKUZUGOMA-DXBBTUNJSA-N 1 3 357.542 2.333 20 0 FEADHO OCCN1CCCC[C@@H]1CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000449388510 560228409 /nfs/dbraw/zinc/22/84/09/560228409.db2.gz AEUXREKUZUGOMA-DXBBTUNJSA-N 1 3 357.542 2.333 20 0 FEADHO OCCN1CCCC[C@@H]1CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000449388510 560228410 /nfs/dbraw/zinc/22/84/10/560228410.db2.gz AEUXREKUZUGOMA-DXBBTUNJSA-N 1 3 357.542 2.333 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]CC3(C)C)cc2)CC1 ZINC000449701408 560237506 /nfs/dbraw/zinc/23/75/06/560237506.db2.gz CFFZTYLTKSRTNL-LJQANCHMSA-N 1 3 358.530 2.335 20 0 FEADHO CCC[C@@H](O)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000450467586 560263288 /nfs/dbraw/zinc/26/32/88/560263288.db2.gz JFLBLKHLGLANBW-HXUWFJFHSA-N 1 3 361.530 2.108 20 0 FEADHO CC[C@H](C)N1CCN([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000451843442 560331863 /nfs/dbraw/zinc/33/18/63/560331863.db2.gz NVWFYLLTQHGUAK-ZJOUEHCJSA-N 1 3 372.557 2.182 20 0 FEADHO CC[C@H](C)N1CCN([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000451843442 560331864 /nfs/dbraw/zinc/33/18/64/560331864.db2.gz NVWFYLLTQHGUAK-ZJOUEHCJSA-N 1 3 372.557 2.182 20 0 FEADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000453353305 560385823 /nfs/dbraw/zinc/38/58/23/560385823.db2.gz NRACSXADLZNWPA-HNSVSWJLSA-N 1 3 351.516 2.227 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC3CC(F)(F)C3)CC2)CC1 ZINC000454466752 560445482 /nfs/dbraw/zinc/44/54/82/560445482.db2.gz YKGYRCIGIVRZLV-UHFFFAOYSA-N 1 3 358.477 2.280 20 0 FEADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)C1 ZINC000457477267 560569253 /nfs/dbraw/zinc/56/92/53/560569253.db2.gz BJNOXBAVAOJRRM-TZIWHRDSSA-N 1 3 356.514 2.388 20 0 FEADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)C1 ZINC000457477267 560569255 /nfs/dbraw/zinc/56/92/55/560569255.db2.gz BJNOXBAVAOJRRM-TZIWHRDSSA-N 1 3 356.514 2.388 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)N(C)C)cc1 ZINC000458010370 560599091 /nfs/dbraw/zinc/59/90/91/560599091.db2.gz KKEBDQJQCDGNMY-RDJZCZTQSA-N 1 3 350.532 2.405 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)N(C)C)cc1 ZINC000458010370 560599092 /nfs/dbraw/zinc/59/90/92/560599092.db2.gz KKEBDQJQCDGNMY-RDJZCZTQSA-N 1 3 350.532 2.405 20 0 FEADHO C[C@@H](CNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)[NH+](C)C ZINC000458373796 560618246 /nfs/dbraw/zinc/61/82/46/560618246.db2.gz XYBXTVUCYQKBOH-INIZCTEOSA-N 1 3 354.539 2.049 20 0 FEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000458382291 560618893 /nfs/dbraw/zinc/61/88/93/560618893.db2.gz QZDWVHACQAVZCE-ROUUACIJSA-N 1 3 368.566 2.033 20 0 FEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000458382291 560618894 /nfs/dbraw/zinc/61/88/94/560618894.db2.gz QZDWVHACQAVZCE-ROUUACIJSA-N 1 3 368.566 2.033 20 0 FEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000458427910 560622542 /nfs/dbraw/zinc/62/25/42/560622542.db2.gz MPUVCTZPBJOSPH-LJQANCHMSA-N 1 3 358.530 2.210 20 0 FEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000458427910 560622543 /nfs/dbraw/zinc/62/25/43/560622543.db2.gz MPUVCTZPBJOSPH-LJQANCHMSA-N 1 3 358.530 2.210 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1scnc1C ZINC000458966898 560659192 /nfs/dbraw/zinc/65/91/92/560659192.db2.gz VJPQZAXQRCAFPV-INIZCTEOSA-N 1 3 367.563 2.052 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1scnc1C ZINC000458966898 560659193 /nfs/dbraw/zinc/65/91/93/560659193.db2.gz VJPQZAXQRCAFPV-INIZCTEOSA-N 1 3 367.563 2.052 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cnc(C2CC2)o1 ZINC000459091187 560666497 /nfs/dbraw/zinc/66/64/97/560666497.db2.gz ZYSIWXLKPBQNKF-INIZCTEOSA-N 1 3 363.506 2.110 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cnc(C2CC2)o1 ZINC000459091187 560666498 /nfs/dbraw/zinc/66/64/98/560666498.db2.gz ZYSIWXLKPBQNKF-INIZCTEOSA-N 1 3 363.506 2.110 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC1CC(F)(F)C1 ZINC000459127334 560668635 /nfs/dbraw/zinc/66/86/35/560668635.db2.gz AXNVXUSBKWNXMK-INIZCTEOSA-N 1 3 360.493 2.479 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC1CC(F)(F)C1 ZINC000459127334 560668637 /nfs/dbraw/zinc/66/86/37/560668637.db2.gz AXNVXUSBKWNXMK-INIZCTEOSA-N 1 3 360.493 2.479 20 0 FEADHO O=C(Cc1cccc(F)c1)NCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459362526 560682275 /nfs/dbraw/zinc/68/22/75/560682275.db2.gz PZXFFBRCIMJXDC-UHFFFAOYSA-N 1 3 356.445 2.138 20 0 FEADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CCCC2)[C@H]1Sc1ccccc1 ZINC000459471929 560688301 /nfs/dbraw/zinc/68/83/01/560688301.db2.gz OBJGAFHCEHVNSH-NXWXRZEISA-N 1 3 350.528 2.371 20 0 FEADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C[C@@H](O)C(F)(F)F ZINC000461384772 560769140 /nfs/dbraw/zinc/76/91/40/560769140.db2.gz HPYARTIHFLRFDJ-MRXNPFEDSA-N 1 3 351.457 2.038 20 0 FEADHO CC[NH+]1CCC(N(C)C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000461994892 560791248 /nfs/dbraw/zinc/79/12/48/560791248.db2.gz PBCMJNLINFOTEP-UHFFFAOYSA-N 1 3 358.530 2.141 20 0 FEADHO C[NH+](C)C[C@@H]1CCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000464919500 560855003 /nfs/dbraw/zinc/85/50/03/560855003.db2.gz AESSCWMQOXUKTP-FQEVSTJZSA-N 1 3 358.530 2.141 20 0 FEADHO CN(C)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000465433886 560865215 /nfs/dbraw/zinc/86/52/15/560865215.db2.gz OIOFPBPNCMSHMT-RAFMOHDBSA-N 1 3 358.530 2.474 20 0 FEADHO CN(C)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000465433886 560865216 /nfs/dbraw/zinc/86/52/16/560865216.db2.gz OIOFPBPNCMSHMT-RAFMOHDBSA-N 1 3 358.530 2.474 20 0 FEADHO CC1CC[NH+](CCCCNC(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000465600175 560869474 /nfs/dbraw/zinc/86/94/74/560869474.db2.gz NDEVEHGLOHZALS-LJQANCHMSA-N 1 3 368.566 2.251 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000466033639 560878502 /nfs/dbraw/zinc/87/85/02/560878502.db2.gz CTPSEBQTQBYZHN-YJBOKZPZSA-N 1 3 350.482 2.382 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000466033639 560878503 /nfs/dbraw/zinc/87/85/03/560878503.db2.gz CTPSEBQTQBYZHN-YJBOKZPZSA-N 1 3 350.482 2.382 20 0 FEADHO Cc1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1Oc1cccnc1 ZINC000469993907 560971177 /nfs/dbraw/zinc/97/11/77/560971177.db2.gz VNQOVTHPAMLFFZ-GOSISDBHSA-N 1 3 368.481 2.469 20 0 FEADHO C[C@H]1[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCCN1C ZINC000472160884 561019882 /nfs/dbraw/zinc/01/98/82/561019882.db2.gz LCTGNSAHEKBUJY-FFGOWVMKSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@H]1[C@@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCCN1C ZINC000472160884 561019883 /nfs/dbraw/zinc/01/98/83/561019883.db2.gz LCTGNSAHEKBUJY-FFGOWVMKSA-N 1 3 356.514 2.243 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000472182465 561020510 /nfs/dbraw/zinc/02/05/10/561020510.db2.gz NJZJJOMGIIGHDO-RBUKOAKNSA-N 1 3 353.551 2.456 20 0 FEADHO CN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000472321755 561024161 /nfs/dbraw/zinc/02/41/61/561024161.db2.gz QXHQLVCWUMLJLZ-UYAOXDASSA-N 1 3 356.514 2.387 20 0 FEADHO CN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000472321755 561024162 /nfs/dbraw/zinc/02/41/62/561024162.db2.gz QXHQLVCWUMLJLZ-UYAOXDASSA-N 1 3 356.514 2.387 20 0 FEADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1C1CCOCC1)c1ccccc1 ZINC000475147717 561091545 /nfs/dbraw/zinc/09/15/45/561091545.db2.gz HISMMQVGYRJEQI-PMACEKPBSA-N 1 3 359.514 2.297 20 0 FEADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1C1CCOCC1)c1ccccc1 ZINC000475147717 561091546 /nfs/dbraw/zinc/09/15/46/561091546.db2.gz HISMMQVGYRJEQI-PMACEKPBSA-N 1 3 359.514 2.297 20 0 FEADHO C[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC000476956577 561132891 /nfs/dbraw/zinc/13/28/91/561132891.db2.gz XAQXXYACROZTGW-GFCCVEGCSA-N 1 3 350.429 2.043 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N2CCNC[C@H]2C(C)C)[NH+]2CCCC2)cc1 ZINC000529285639 562367294 /nfs/dbraw/zinc/36/72/94/562367294.db2.gz XRWASTMMUXEDDO-VQTJNVASSA-N 1 3 374.529 2.472 20 0 FEADHO CC(C)(CNC(=O)CC1(N2CCOCC2)CCCC1)[NH+]1CCCCC1 ZINC000530565683 562416137 /nfs/dbraw/zinc/41/61/37/562416137.db2.gz YSQRGPRTTPEDJF-UHFFFAOYSA-N 1 3 351.535 2.402 20 0 FEADHO Cc1c(C(=O)N(CCN(C)C)CC[NH+](C)C)cnn1-c1ccc(C)cc1 ZINC000530641823 562418808 /nfs/dbraw/zinc/41/88/08/562418808.db2.gz SCRQOLGSXSORDP-UHFFFAOYSA-N 1 3 357.502 2.055 20 0 FEADHO Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n(C2CCN(C)CC2)n1 ZINC000531713462 562454573 /nfs/dbraw/zinc/45/45/73/562454573.db2.gz LLPVMBIXGHMKTR-AEFFLSMTSA-N 1 3 374.533 2.406 20 0 FEADHO Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n(C2CCN(C)CC2)n1 ZINC000531713462 562454574 /nfs/dbraw/zinc/45/45/74/562454574.db2.gz LLPVMBIXGHMKTR-AEFFLSMTSA-N 1 3 374.533 2.406 20 0 FEADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1(O)CCN(C)CC1 ZINC000532235555 562471386 /nfs/dbraw/zinc/47/13/86/562471386.db2.gz YUWHRHWZPPJPDC-CYBMUJFWSA-N 1 3 373.419 2.469 20 0 FEADHO Cc1ncc2c(n1)CCN(CCCCCN1CCc3nc(C)ncc3C1)C2 ZINC000533240157 562502570 /nfs/dbraw/zinc/50/25/70/562502570.db2.gz QNFKTEZHQMXLDW-UHFFFAOYSA-N 1 3 366.513 2.470 20 0 FEADHO Cc1ncc2c(n1)CCN(CCCCC[N@@H+]1CCc3nc(C)ncc3C1)C2 ZINC000533240157 562502571 /nfs/dbraw/zinc/50/25/71/562502571.db2.gz QNFKTEZHQMXLDW-UHFFFAOYSA-N 1 3 366.513 2.470 20 0 FEADHO Cc1ncc2c(n1)CCN(CCCCC[N@H+]1CCc3nc(C)ncc3C1)C2 ZINC000533240157 562502572 /nfs/dbraw/zinc/50/25/72/562502572.db2.gz QNFKTEZHQMXLDW-UHFFFAOYSA-N 1 3 366.513 2.470 20 0 FEADHO O=C(NCCNc1ccncc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000533812307 562518961 /nfs/dbraw/zinc/51/89/61/562518961.db2.gz RKXOGSHEPKWCNT-UHFFFAOYSA-N 1 3 353.470 2.011 20 0 FEADHO O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CN2CCN1CCC2 ZINC000536537921 562578230 /nfs/dbraw/zinc/57/82/30/562578230.db2.gz HSMUEAPRXOTGLN-HXUWFJFHSA-N 1 3 356.514 2.391 20 0 FEADHO Cc1cc(N(C)CC[NH+]2CCCC2)nc([C@@H](C)N(C)CCN2CCCC2)n1 ZINC000541174851 562605108 /nfs/dbraw/zinc/60/51/08/562605108.db2.gz KBVWWPDBKICKEN-LJQANCHMSA-N 1 3 374.577 2.406 20 0 FEADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000541820950 562620490 /nfs/dbraw/zinc/62/04/90/562620490.db2.gz GXZGHXPRLOPHQW-QGZVFWFLSA-N 1 3 366.550 2.003 20 0 FEADHO Cc1cc(NC(=O)N[C@H](C)C2=CCN(C)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000541906206 562622996 /nfs/dbraw/zinc/62/29/96/562622996.db2.gz DTKGHSSUHBSORK-OAHLLOKOSA-N 1 3 360.506 2.230 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C)c(C(=O)OC)[nH]2)[C@@H](C)C1 ZINC000602546929 567990202 /nfs/dbraw/zinc/99/02/02/567990202.db2.gz VBRPHVKARXKAFV-RDJZCZTQSA-N 1 3 351.491 2.336 20 0 FEADHO CN(C)CCOC1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000604156060 568217762 /nfs/dbraw/zinc/21/77/62/568217762.db2.gz AJVOKZVPVKCKOT-UHFFFAOYSA-N 1 3 354.539 2.048 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000604205224 568228272 /nfs/dbraw/zinc/22/82/72/568228272.db2.gz JAXXSJMBBNTORX-LJQANCHMSA-N 1 3 356.514 2.449 20 0 FEADHO Cc1ccccc1C[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000604205224 568228273 /nfs/dbraw/zinc/22/82/73/568228273.db2.gz JAXXSJMBBNTORX-LJQANCHMSA-N 1 3 356.514 2.449 20 0 FEADHO Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000604205224 568228274 /nfs/dbraw/zinc/22/82/74/568228274.db2.gz JAXXSJMBBNTORX-LJQANCHMSA-N 1 3 356.514 2.449 20 0 FEADHO CC[NH+](CC)CC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2OC)CC1 ZINC000825412473 608354234 /nfs/dbraw/zinc/35/42/34/608354234.db2.gz PTFXLWNZZOAMJK-UHFFFAOYSA-N 1 3 358.490 2.429 20 0 FEADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000560515455 674596896 /nfs/dbraw/zinc/59/68/96/674596896.db2.gz SNBBDYOBOULXMU-YESZJQIVSA-N 1 3 371.934 2.081 20 0 FEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](O)COc1ccccc1Br ZINC000562960250 674827747 /nfs/dbraw/zinc/82/77/47/674827747.db2.gz MHUPXNWJSIIQPO-IPYPFGDCSA-N 1 3 357.292 2.167 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC[C@@]3(C)CC)CC2)CC1 ZINC000563388373 674881226 /nfs/dbraw/zinc/88/12/26/674881226.db2.gz JJKYNUJAFQINJB-HXUWFJFHSA-N 1 3 351.535 2.210 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)C(F)(F)c3ccccc3)CC2)CC1 ZINC000050797906 670288950 /nfs/dbraw/zinc/28/89/50/670288950.db2.gz QFIPJRFQYLJPBF-UHFFFAOYSA-N 1 3 351.441 2.453 20 0 FEADHO CCCCN(CCOC)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000565181288 675100151 /nfs/dbraw/zinc/10/01/51/675100151.db2.gz MTXIXNKJZZGXAD-UHFFFAOYSA-N 1 3 353.551 2.458 20 0 FEADHO CCN1CCN(CCCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000570447507 670715779 /nfs/dbraw/zinc/71/57/79/670715779.db2.gz WHBYWQDFCLZDLA-IBGZPJMESA-N 1 3 352.567 2.208 20 0 FEADHO CS(=O)(=O)[C@@H]1CCC[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000579225575 671720712 /nfs/dbraw/zinc/72/07/12/671720712.db2.gz SDAKQOAJFJNYIQ-JHDROBOHSA-N 1 3 364.511 2.188 20 0 FEADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCCOc1cccc(Cl)c1 ZINC000580952046 671850068 /nfs/dbraw/zinc/85/00/68/671850068.db2.gz CVDSUCWIAGTMGA-HOTGVXAUSA-N 1 3 365.905 2.157 20 0 FEADHO Clc1cc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000581878612 671944773 /nfs/dbraw/zinc/94/47/73/671944773.db2.gz SMSGNZFLZZMNAW-DJIMGWMZSA-N 1 3 366.889 2.400 20 0 FEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000582519604 672008959 /nfs/dbraw/zinc/00/89/59/672008959.db2.gz PXBNYEQBJDRGOF-IAGOWNOFSA-N 1 3 354.539 2.002 20 0 FEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000582519604 672008962 /nfs/dbraw/zinc/00/89/62/672008962.db2.gz PXBNYEQBJDRGOF-IAGOWNOFSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@H]1C[N@H+](CCCNC[C@H](O)COc2ccc(Cl)cc2)CCCO1 ZINC000582900450 672044784 /nfs/dbraw/zinc/04/47/84/672044784.db2.gz OGJJKQZURKVDOF-RDJZCZTQSA-N 1 3 356.894 2.170 20 0 FEADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)COc2ccc(Cl)cc2)CCCO1 ZINC000582900450 672044786 /nfs/dbraw/zinc/04/47/86/672044786.db2.gz OGJJKQZURKVDOF-RDJZCZTQSA-N 1 3 356.894 2.170 20 0 FEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000583236935 672076072 /nfs/dbraw/zinc/07/60/72/672076072.db2.gz PXBNYEQBJDRGOF-IRXDYDNUSA-N 1 3 354.539 2.002 20 0 FEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000583236935 672076075 /nfs/dbraw/zinc/07/60/75/672076075.db2.gz PXBNYEQBJDRGOF-IRXDYDNUSA-N 1 3 354.539 2.002 20 0 FEADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000612990430 676105679 /nfs/dbraw/zinc/10/56/79/676105679.db2.gz QYDKQJMONPALOZ-JKSUJKDBSA-N 1 3 350.894 2.384 20 0 FEADHO COC(=O)CCCN1CCC(N(CCC[NH3+])c2ccccc2F)CC1 ZINC000463239948 673303466 /nfs/dbraw/zinc/30/34/66/673303466.db2.gz FLMHYYFZYQCJFW-UHFFFAOYSA-N 1 3 351.466 2.399 20 0 FEADHO CC[NH+](CC)CCSCC(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000598535835 673580112 /nfs/dbraw/zinc/58/01/12/673580112.db2.gz JEKKOQIBGSZDHB-QGZVFWFLSA-N 1 3 371.591 2.163 20 0 FEADHO C[C@@H](NC[C@H]1CCCCS1(=O)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000543430269 673646735 /nfs/dbraw/zinc/64/67/35/673646735.db2.gz XKMJZGFTRMHRPX-CRAIPNDOSA-N 1 3 354.516 2.245 20 0 FEADHO COC(=O)CCCN1CCC([NH2+][C@@H](C)CN2C[C@H](C)C[C@H](C)C2)CC1 ZINC000545205158 673751417 /nfs/dbraw/zinc/75/14/17/673751417.db2.gz IVMOSQHXNHXLIW-KSZLIROESA-N 1 3 353.551 2.360 20 0 FEADHO CS[C@@H]1CC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000743590421 673764563 /nfs/dbraw/zinc/76/45/63/673764563.db2.gz SHJVETHHAAICSL-DOTOQJQBSA-N 1 3 354.564 2.128 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@H]3COC)CC2)CC1 ZINC000566467198 675217084 /nfs/dbraw/zinc/21/70/84/675217084.db2.gz ULOCPIMKYYRHRG-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000819134612 675263565 /nfs/dbraw/zinc/26/35/65/675263565.db2.gz JPXLYXDKNCPCGO-QGZVFWFLSA-N 1 3 355.523 2.259 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccnc(Br)c1 ZINC000823577917 675561278 /nfs/dbraw/zinc/56/12/78/675561278.db2.gz NXMYNSKILKIWHK-LBPRGKRZSA-N 1 3 372.311 2.238 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccnc(Br)c1 ZINC000823577917 675561280 /nfs/dbraw/zinc/56/12/80/675561280.db2.gz NXMYNSKILKIWHK-LBPRGKRZSA-N 1 3 372.311 2.238 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000824826922 675623643 /nfs/dbraw/zinc/62/36/43/675623643.db2.gz UDTUUMRPEQWLCG-SOUVJXGZSA-N 1 3 367.456 2.265 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000824826922 675623644 /nfs/dbraw/zinc/62/36/44/675623644.db2.gz UDTUUMRPEQWLCG-SOUVJXGZSA-N 1 3 367.456 2.265 20 0 FEADHO C[NH+]1CCC(CNC(=O)C2CC3(CC3(F)F)C2)(N2CCCCC2)CC1 ZINC000828835333 675847598 /nfs/dbraw/zinc/84/75/98/675847598.db2.gz ZJXILPGKZSMCFB-UHFFFAOYSA-N 1 3 355.473 2.488 20 0 FEADHO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000619720185 676392161 /nfs/dbraw/zinc/39/21/61/676392161.db2.gz MJFVERVMCINLKH-GOSISDBHSA-N 1 3 353.551 2.314 20 0 FEADHO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000619720185 676392163 /nfs/dbraw/zinc/39/21/63/676392163.db2.gz MJFVERVMCINLKH-GOSISDBHSA-N 1 3 353.551 2.314 20 0 FEADHO Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCN(C)C(C)(C)C2)c(C)s1 ZINC000623467706 676536593 /nfs/dbraw/zinc/53/65/93/676536593.db2.gz UNLFGJTUYUEKQI-AWEZNQCLSA-N 1 3 359.561 2.106 20 0 FEADHO O[C@@H](C[NH2+][C@@H]1C[C@H]1c1ccc(Br)c(F)c1)CN1CCCC1 ZINC000629578167 676860690 /nfs/dbraw/zinc/86/06/90/676860690.db2.gz HIGGDGUYNRHKGC-HEHGZKQESA-N 1 3 357.267 2.490 20 0 FEADHO CN(C)CCCS(=O)(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000631683216 676951697 /nfs/dbraw/zinc/95/16/97/676951697.db2.gz RPSBSHFOCZXBOF-UHFFFAOYSA-N 1 3 353.532 2.044 20 0 FEADHO COC[C@@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCCCN1 ZINC000638086280 677139560 /nfs/dbraw/zinc/13/95/60/677139560.db2.gz XQEUUSQNXUKCKF-VQIMIIECSA-N 1 3 365.543 2.235 20 0 FEADHO COC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCCCN1 ZINC000638086280 677139561 /nfs/dbraw/zinc/13/95/61/677139561.db2.gz XQEUUSQNXUKCKF-VQIMIIECSA-N 1 3 365.543 2.235 20 0 FEADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@H](C)C1 ZINC000638114204 677140250 /nfs/dbraw/zinc/14/02/50/677140250.db2.gz SUFYEKASUIFZIY-DOMZBBRYSA-N 1 3 359.923 2.150 20 0 FEADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@H](C)C1 ZINC000638114204 677140251 /nfs/dbraw/zinc/14/02/51/677140251.db2.gz SUFYEKASUIFZIY-DOMZBBRYSA-N 1 3 359.923 2.150 20 0 FEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](N)CCC(C)C)cc1F ZINC000638414611 677144658 /nfs/dbraw/zinc/14/46/58/677144658.db2.gz RWMBRUDPYPLPGL-UAGQMJEPSA-N 1 3 351.466 2.160 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCCC1CC[NH2+]CC1 ZINC000652310534 677478894 /nfs/dbraw/zinc/47/88/94/677478894.db2.gz KKZUXHLDXSUZIC-UHFFFAOYSA-N 1 3 350.482 2.289 20 0 FEADHO CCN(C(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000652345719 677480344 /nfs/dbraw/zinc/48/03/44/677480344.db2.gz KFVTWNNZLNRHLD-LNLFQRSKSA-N 1 3 351.535 2.386 20 0 FEADHO CC(C)CN(CC(C)C)C(=O)CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346082 677480390 /nfs/dbraw/zinc/48/03/90/677480390.db2.gz SWOBZEDQWDXXIU-OTWHNJEPSA-N 1 3 353.551 2.345 20 0 FEADHO CC[C@@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)[C@@H](C)CO1 ZINC000655161995 677626616 /nfs/dbraw/zinc/62/66/16/677626616.db2.gz ATCVSDXSCIKIJU-QFBILLFUSA-N 1 3 351.535 2.209 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+]Cc2cncc(Br)c2C)CC1 ZINC000657311463 677994109 /nfs/dbraw/zinc/99/41/09/677994109.db2.gz ZMQDTSLYZWXCAZ-CYBMUJFWSA-N 1 3 355.324 2.268 20 0 FEADHO [NH3+][C@@H](CCC(=O)NC1CCN([C@H]2CCOC2)CC1)CC1CCCCC1 ZINC000662707433 678653105 /nfs/dbraw/zinc/65/31/05/678653105.db2.gz DYWQBUTXTIPHLS-HKUYNNGSSA-N 1 3 351.535 2.434 20 0 FEADHO COc1cc(Cl)ccc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664037616 678824863 /nfs/dbraw/zinc/82/48/63/678824863.db2.gz RMUSTUWIRHAHOZ-AWEZNQCLSA-N 1 3 370.925 2.420 20 0 FEADHO COc1cc(Cl)ccc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664037616 678824864 /nfs/dbraw/zinc/82/48/64/678824864.db2.gz RMUSTUWIRHAHOZ-AWEZNQCLSA-N 1 3 370.925 2.420 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(F)(F)c1ccccc1 ZINC000664734546 678920840 /nfs/dbraw/zinc/92/08/40/678920840.db2.gz UQCHWOAYSGBLOV-HNNXBMFYSA-N 1 3 356.461 2.350 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(F)(F)c1ccccc1 ZINC000664734546 678920844 /nfs/dbraw/zinc/92/08/44/678920844.db2.gz UQCHWOAYSGBLOV-HNNXBMFYSA-N 1 3 356.461 2.350 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC000665272257 678949489 /nfs/dbraw/zinc/94/94/89/678949489.db2.gz ATDNYSZWMWWQMP-IRXDYDNUSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC000665272257 678949492 /nfs/dbraw/zinc/94/94/92/678949492.db2.gz ATDNYSZWMWWQMP-IRXDYDNUSA-N 1 3 354.539 2.049 20 0 FEADHO C[NH+](C)CCCOC1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000665364278 678955169 /nfs/dbraw/zinc/95/51/69/678955169.db2.gz NDIWDPJRHMUNGE-MRXNPFEDSA-N 1 3 354.539 2.002 20 0 FEADHO CO[C@]1(C)C[C@@H](N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000665759496 678981751 /nfs/dbraw/zinc/98/17/51/678981751.db2.gz IVYRSYIESDEAMS-FRQCXROJSA-N 1 3 356.555 2.103 20 0 FEADHO CO[C@]1(C)C[C@@H](N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000665759496 678981752 /nfs/dbraw/zinc/98/17/52/678981752.db2.gz IVYRSYIESDEAMS-FRQCXROJSA-N 1 3 356.555 2.103 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(c2ccccc2F)C1 ZINC000665762300 678982235 /nfs/dbraw/zinc/98/22/35/678982235.db2.gz AAADKYDDYZQYTB-HNNXBMFYSA-N 1 3 350.482 2.207 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(c2ccccc2F)C1 ZINC000665762300 678982236 /nfs/dbraw/zinc/98/22/36/678982236.db2.gz AAADKYDDYZQYTB-HNNXBMFYSA-N 1 3 350.482 2.207 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2cccc(F)c2C1 ZINC000665760302 678982295 /nfs/dbraw/zinc/98/22/95/678982295.db2.gz FSDIEHGHZQNXNA-HNNXBMFYSA-N 1 3 350.482 2.165 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2cccc(F)c2C1 ZINC000665760302 678982296 /nfs/dbraw/zinc/98/22/96/678982296.db2.gz FSDIEHGHZQNXNA-HNNXBMFYSA-N 1 3 350.482 2.165 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(C)(CC(F)(F)F)C1 ZINC000665763445 678982762 /nfs/dbraw/zinc/98/27/62/678982762.db2.gz AWFVDDJCNDODDN-ZDUSSCGKSA-N 1 3 352.445 2.242 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(C)(CC(F)(F)F)C1 ZINC000665763445 678982763 /nfs/dbraw/zinc/98/27/63/678982763.db2.gz AWFVDDJCNDODDN-ZDUSSCGKSA-N 1 3 352.445 2.242 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1nc(C(C)(C)C)ns1 ZINC000665969301 678994916 /nfs/dbraw/zinc/99/49/16/678994916.db2.gz LIGFBVKHWHOXKG-LBPRGKRZSA-N 1 3 356.540 2.229 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1nc(C(C)(C)C)ns1 ZINC000665969301 678994917 /nfs/dbraw/zinc/99/49/17/678994917.db2.gz LIGFBVKHWHOXKG-LBPRGKRZSA-N 1 3 356.540 2.229 20 0 FEADHO CN(CCOC(C)(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000676148591 679612008 /nfs/dbraw/zinc/61/20/08/679612008.db2.gz XXNVWLBQZYMKFA-UHFFFAOYSA-N 1 3 354.539 2.002 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000747990468 679919251 /nfs/dbraw/zinc/91/92/51/679919251.db2.gz MWRQYNSFMFOUNA-GFCCVEGCSA-N 1 3 363.333 2.038 20 0 FEADHO Cc1ncsc1CN1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001016631904 680059878 /nfs/dbraw/zinc/05/98/78/680059878.db2.gz GEKCABOTAFOTPF-INMHGKMJSA-N 1 3 362.543 2.262 20 0 FEADHO Cc1ncsc1CN1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001016631904 680059884 /nfs/dbraw/zinc/05/98/84/680059884.db2.gz GEKCABOTAFOTPF-INMHGKMJSA-N 1 3 362.543 2.262 20 0 FEADHO COc1cccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1Cl ZINC001022104234 680196303 /nfs/dbraw/zinc/19/63/03/680196303.db2.gz ZLBGIDXEACHMSY-DMRZNYOFSA-N 1 3 365.905 2.426 20 0 FEADHO COc1cccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1Cl ZINC001022104234 680196305 /nfs/dbraw/zinc/19/63/05/680196305.db2.gz ZLBGIDXEACHMSY-DMRZNYOFSA-N 1 3 365.905 2.426 20 0 FEADHO Cc1nsc(C)c1CN1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001420347 680461381 /nfs/dbraw/zinc/46/13/81/680461381.db2.gz IHKROLXAUNLKBZ-RHSMWYFYSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1nsc(C)c1CN1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001001420347 680461385 /nfs/dbraw/zinc/46/13/85/680461385.db2.gz IHKROLXAUNLKBZ-RHSMWYFYSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc(Cl)n1 ZINC000843490203 681006807 /nfs/dbraw/zinc/00/68/07/681006807.db2.gz GCHXXGNTMWXMDJ-NUEKZKHPSA-N 1 3 350.894 2.376 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc(Cl)n1 ZINC000843490203 681006808 /nfs/dbraw/zinc/00/68/08/681006808.db2.gz GCHXXGNTMWXMDJ-NUEKZKHPSA-N 1 3 350.894 2.376 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnn(C)c3Cl)CC2)CC1 ZINC000912619463 685408377 /nfs/dbraw/zinc/40/83/77/685408377.db2.gz JGTQBWDTDCVNAM-UHFFFAOYSA-N 1 3 353.898 2.208 20 0 FEADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846806341 681292244 /nfs/dbraw/zinc/29/22/44/681292244.db2.gz MWYIONWGAHCIBY-VQIMIIECSA-N 1 3 355.523 2.165 20 0 FEADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846806341 681292247 /nfs/dbraw/zinc/29/22/47/681292247.db2.gz MWYIONWGAHCIBY-VQIMIIECSA-N 1 3 355.523 2.165 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000849072778 681649814 /nfs/dbraw/zinc/64/98/14/681649814.db2.gz GJBROEZJQXRALV-GDBMZVCRSA-N 1 3 358.408 2.035 20 0 FEADHO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000849091307 681651839 /nfs/dbraw/zinc/65/18/39/681651839.db2.gz UERPDYOECGIBOP-LSDHHAIUSA-N 1 3 356.392 2.183 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCc2cncs2)CC[N@@H+]1C ZINC000960007288 682020255 /nfs/dbraw/zinc/02/02/55/682020255.db2.gz CMYABPCFKAIESH-BHYGNILZSA-N 1 3 350.532 2.344 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CNCc2cncs2)CC[N@H+]1C ZINC000960007288 682020259 /nfs/dbraw/zinc/02/02/59/682020259.db2.gz CMYABPCFKAIESH-BHYGNILZSA-N 1 3 350.532 2.344 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCS1 ZINC000915500160 685515693 /nfs/dbraw/zinc/51/56/93/685515693.db2.gz CZGSNMUMFVWQHY-GOEBONIOSA-N 1 3 354.564 2.128 20 0 FEADHO COc1ccc([C@H](CNC(=S)NCC[NH+](C)C)N2CCCCC2)cc1 ZINC000916126170 685521738 /nfs/dbraw/zinc/52/17/38/685521738.db2.gz CWIYHVNFPZIOSI-SFHVURJKSA-N 1 3 364.559 2.248 20 0 FEADHO CN(CCOCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC000858502146 682974307 /nfs/dbraw/zinc/97/43/07/682974307.db2.gz YCPCMSZIJPAZAZ-ZACQAIPSSA-N 1 3 355.523 2.332 20 0 FEADHO CN1CC[C@H]([NH2+]CCOCCCNC(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000858532948 682977564 /nfs/dbraw/zinc/97/75/64/682977564.db2.gz OUHKVIZKKBWLAD-ULQDDVLXSA-N 1 3 355.523 2.380 20 0 FEADHO CCCCCCN(C)CC(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926175609 683089058 /nfs/dbraw/zinc/08/90/58/683089058.db2.gz ZGUCTDVFVWHCDJ-HNBVOPMISA-N 1 3 353.551 2.094 20 0 FEADHO CCCCCCN(C)CC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926175609 683089061 /nfs/dbraw/zinc/08/90/61/683089061.db2.gz ZGUCTDVFVWHCDJ-HNBVOPMISA-N 1 3 353.551 2.094 20 0 FEADHO CC(C)[NH+]1CCC(NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000926990998 683194955 /nfs/dbraw/zinc/19/49/55/683194955.db2.gz QGTMABYOMIBLLV-IBGZPJMESA-N 1 3 355.523 2.475 20 0 FEADHO CN(C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000923305898 684259647 /nfs/dbraw/zinc/25/96/47/684259647.db2.gz LEGGGDXFHLBMFM-UVBJJODRSA-N 1 3 357.281 2.262 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@H]3CCSC3)CC2)CC1 ZINC000869597145 684634148 /nfs/dbraw/zinc/63/41/48/684634148.db2.gz COAUETZHJHXIHZ-MRXNPFEDSA-N 1 3 353.576 2.442 20 0 FEADHO COC[C@@]1(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCCCN1 ZINC000876735723 686256642 /nfs/dbraw/zinc/25/66/42/686256642.db2.gz COKFASBPMYWCDC-HXUWFJFHSA-N 1 3 351.535 2.306 20 0 FEADHO CCC1([NH+]2CCCCC2)CCN(C(=O)NCCN(C)CCOC)CC1 ZINC000883299068 687602417 /nfs/dbraw/zinc/60/24/17/687602417.db2.gz KJZMXMGZTCVCOI-UHFFFAOYSA-N 1 3 354.539 2.005 20 0 FEADHO Nc1ccnc(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000891461464 689064827 /nfs/dbraw/zinc/06/48/27/689064827.db2.gz MOTCTBDONOEZTI-CQSZACIVSA-N 1 3 359.499 2.437 20 0 FEADHO Nc1ccnc(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000891461464 689064830 /nfs/dbraw/zinc/06/48/30/689064830.db2.gz MOTCTBDONOEZTI-CQSZACIVSA-N 1 3 359.499 2.437 20 0 FEADHO Nc1ccnc(CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000891544816 689076380 /nfs/dbraw/zinc/07/63/80/689076380.db2.gz FDOHVUGVYAFDSS-UHFFFAOYSA-N 1 3 363.531 2.215 20 0 FEADHO CCN(C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000891922119 689127323 /nfs/dbraw/zinc/12/73/23/689127323.db2.gz FVZLCOCQHVIDMZ-NVXWUHKLSA-N 1 3 350.532 2.405 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892448137 689198093 /nfs/dbraw/zinc/19/80/93/689198093.db2.gz DNIHZIGAPJVSRD-RZDIXWSQSA-N 1 3 350.482 2.416 20 0 FEADHO O=S1CCC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000892615384 689218807 /nfs/dbraw/zinc/21/88/07/689218807.db2.gz CBFAICNLCJJFPB-UHFFFAOYSA-N 1 3 363.571 2.085 20 0 FEADHO COC(=O)c1cc(C[NH2+]CCCCN2CCN(C)CC2)[nH]c1C(C)C ZINC000894172605 689480368 /nfs/dbraw/zinc/48/03/68/689480368.db2.gz CCYCBSYQHOWGTO-UHFFFAOYSA-N 1 3 350.507 2.042 20 0 FEADHO CCO/C=C/[C@@](O)(C[NH2+]Cc1ccnn1-c1ccncc1)C(F)(F)F ZINC000895715439 689760484 /nfs/dbraw/zinc/76/04/84/689760484.db2.gz CEFRNSXXQAHSQC-WCLQSUPFSA-N 1 3 356.348 2.201 20 0 FEADHO CC(C)[NH+]1CCN(CCCC(=O)NC[C@H](c2cccs2)N(C)C)CC1 ZINC000899958991 690450667 /nfs/dbraw/zinc/45/06/67/690450667.db2.gz RRSQOMXIZFKQSV-QGZVFWFLSA-N 1 3 366.575 2.273 20 0 FEADHO OC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCC2(CC1)OCCO2 ZINC000903375866 690888391 /nfs/dbraw/zinc/88/83/91/690888391.db2.gz ZBXDUKCAVAZHIR-UHFFFAOYSA-N 1 3 352.519 2.421 20 0 FEADHO OC1(CNC2CC[NH+](C3CCCCC3)CC2)CCC2(CC1)OCCO2 ZINC000903375866 690888395 /nfs/dbraw/zinc/88/83/95/690888395.db2.gz ZBXDUKCAVAZHIR-UHFFFAOYSA-N 1 3 352.519 2.421 20 0 FEADHO FC(F)(F)c1ccn([C@@H]2CCCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903756906 690970174 /nfs/dbraw/zinc/97/01/74/690970174.db2.gz XCNVGZWMNCCLKX-IIAWOOMASA-N 1 3 358.408 2.307 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)C1 ZINC000903988792 690992575 /nfs/dbraw/zinc/99/25/75/690992575.db2.gz XIZFTGIADYFFMC-GJZGRUSLSA-N 1 3 362.543 2.009 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)C1 ZINC000903988792 690992577 /nfs/dbraw/zinc/99/25/77/690992577.db2.gz XIZFTGIADYFFMC-GJZGRUSLSA-N 1 3 362.543 2.009 20 0 FEADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1nc2c(s1)CNCC2 ZINC000904474502 691030378 /nfs/dbraw/zinc/03/03/78/691030378.db2.gz UVRGNYDRXLVTKT-KXBFYZLASA-N 1 3 356.495 2.134 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NN3[C@H](C)CCC[C@H]3C)CC2)CC1 ZINC000907988280 691593809 /nfs/dbraw/zinc/59/38/09/691593809.db2.gz QBKVDILYZIFECI-IAGOWNOFSA-N 1 3 350.551 2.477 20 0 FEADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncccc2CN2CCCC2)C1 ZINC001164736201 720533377 /nfs/dbraw/zinc/53/33/77/720533377.db2.gz VWPZAQURTGHHFV-KRWDZBQOSA-N 1 3 354.502 2.072 20 0 FEADHO CN(C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474598608 887247873 /nfs/dbraw/zinc/24/78/73/887247873.db2.gz XPKQTZPROWLJSF-SFHVURJKSA-N 1 3 370.501 2.183 20 0 FEADHO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000048669283 540369424 /nfs/dbraw/zinc/36/94/24/540369424.db2.gz NIHVOWFHICISMT-UHFFFAOYSA-N 1 3 374.529 2.459 20 0 FEADHO CN(CCc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761564 540443671 /nfs/dbraw/zinc/44/36/71/540443671.db2.gz KJRQMPWHIPRMGA-UHFFFAOYSA-N 1 3 358.530 2.429 20 0 FEADHO CC(C)C[C@H](CN(C)C)NC(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000066185465 541287472 /nfs/dbraw/zinc/28/74/72/541287472.db2.gz LYMSHQKVNVZWKR-QGZVFWFLSA-N 1 3 368.566 2.248 20 0 FEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)C1CCOCC1 ZINC000072521004 541825914 /nfs/dbraw/zinc/82/59/14/541825914.db2.gz NNGVFEMUZGFXRI-OALUTQOASA-N 1 3 368.566 2.249 20 0 FEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)C1CCOCC1 ZINC000072521004 541825917 /nfs/dbraw/zinc/82/59/17/541825917.db2.gz NNGVFEMUZGFXRI-OALUTQOASA-N 1 3 368.566 2.249 20 0 FEADHO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCCCN1CCc3ccccc3C1)C2 ZINC000073662261 541983328 /nfs/dbraw/zinc/98/33/28/541983328.db2.gz RCWWDCXIMIWFLL-VQTJNVASSA-N 1 3 356.514 2.313 20 0 FEADHO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCCCN1CCc3ccccc3C1)C2 ZINC000073662261 541983331 /nfs/dbraw/zinc/98/33/31/541983331.db2.gz RCWWDCXIMIWFLL-VQTJNVASSA-N 1 3 356.514 2.313 20 0 FEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000077644674 542404853 /nfs/dbraw/zinc/40/48/53/542404853.db2.gz DXDNEOYNURWOCS-LJQANCHMSA-N 1 3 361.534 2.419 20 0 FEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000077644674 542404857 /nfs/dbraw/zinc/40/48/57/542404857.db2.gz DXDNEOYNURWOCS-LJQANCHMSA-N 1 3 361.534 2.419 20 0 FEADHO CC[NH+](CC)CCNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000077826511 542425234 /nfs/dbraw/zinc/42/52/34/542425234.db2.gz ULLRNIBYAJEMAO-LJQANCHMSA-N 1 3 362.518 2.473 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000081365868 542651303 /nfs/dbraw/zinc/65/13/03/542651303.db2.gz FESSYDVCYSZPEW-OAQYLSRUSA-N 1 3 370.541 2.286 20 0 FEADHO CC[NH+]1CCC(CCNC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000081458076 542658741 /nfs/dbraw/zinc/65/87/41/542658741.db2.gz BIQZRBXPKPTETK-UHFFFAOYSA-N 1 3 351.535 2.260 20 0 FEADHO Cc1cnc(N(C)C[C@@H]2CCCN(C)C2)nc1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000085687072 542730587 /nfs/dbraw/zinc/73/05/87/542730587.db2.gz ORUGUAHWQIIKBQ-RBUKOAKNSA-N 1 3 374.577 2.341 20 0 FEADHO Cc1cnc(N(C)C[C@@H]2CCCN(C)C2)nc1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000085687072 542730589 /nfs/dbraw/zinc/73/05/89/542730589.db2.gz ORUGUAHWQIIKBQ-RBUKOAKNSA-N 1 3 374.577 2.341 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000097177076 543006713 /nfs/dbraw/zinc/00/67/13/543006713.db2.gz KGMZIXHRERUYOY-KRWDZBQOSA-N 1 3 368.591 2.379 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000097177076 543006716 /nfs/dbraw/zinc/00/67/16/543006716.db2.gz KGMZIXHRERUYOY-KRWDZBQOSA-N 1 3 368.591 2.379 20 0 FEADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000103080265 543090883 /nfs/dbraw/zinc/09/08/83/543090883.db2.gz HRFJDRDEKZSGDF-PKOBYXMFSA-N 1 3 372.513 2.197 20 0 FEADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000103080265 543090889 /nfs/dbraw/zinc/09/08/89/543090889.db2.gz HRFJDRDEKZSGDF-PKOBYXMFSA-N 1 3 372.513 2.197 20 0 FEADHO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103212982 543097505 /nfs/dbraw/zinc/09/75/05/543097505.db2.gz IIGAIGAMEBNYCY-GOSISDBHSA-N 1 3 361.530 2.457 20 0 FEADHO CN1CCC[C@H](CNC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000108573896 543295293 /nfs/dbraw/zinc/29/52/93/543295293.db2.gz VXKPSTMQQSNBPR-GOSISDBHSA-N 1 3 362.518 2.158 20 0 FEADHO CN1CCC[C@@H](CNC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000108573898 543295458 /nfs/dbraw/zinc/29/54/58/543295458.db2.gz VXKPSTMQQSNBPR-SFHVURJKSA-N 1 3 362.518 2.158 20 0 FEADHO COCCN1CCC(NC(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000109396555 543324174 /nfs/dbraw/zinc/32/41/74/543324174.db2.gz JDGOASNEBYSPST-SFHVURJKSA-N 1 3 366.550 2.194 20 0 FEADHO COCCN1CCC(NC(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)CC1 ZINC000109396555 543324176 /nfs/dbraw/zinc/32/41/76/543324176.db2.gz JDGOASNEBYSPST-SFHVURJKSA-N 1 3 366.550 2.194 20 0 FEADHO CC(C)[N@H+](C)CCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000112215167 543434872 /nfs/dbraw/zinc/43/48/72/543434872.db2.gz IHYGDWSSGBZJLC-UHFFFAOYSA-N 1 3 356.580 2.378 20 0 FEADHO CC(C)[N@@H+](C)CCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000112215167 543434873 /nfs/dbraw/zinc/43/48/73/543434873.db2.gz IHYGDWSSGBZJLC-UHFFFAOYSA-N 1 3 356.580 2.378 20 0 FEADHO CCN(CC)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124539131 543828418 /nfs/dbraw/zinc/82/84/18/543828418.db2.gz ADKKZSGPWJQOMJ-MOPGFXCFSA-N 1 3 352.567 2.124 20 0 FEADHO CCN(CC)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124539131 543828419 /nfs/dbraw/zinc/82/84/19/543828419.db2.gz ADKKZSGPWJQOMJ-MOPGFXCFSA-N 1 3 352.567 2.124 20 0 FEADHO C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)N1[C@H](C)CC[C@@H]1C ZINC000126958254 543965057 /nfs/dbraw/zinc/96/50/57/543965057.db2.gz WPFAJBIFWCJLQH-KSZLIROESA-N 1 3 351.535 2.399 20 0 FEADHO C[C@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000130727698 544162437 /nfs/dbraw/zinc/16/24/37/544162437.db2.gz MLMDSMKAZLEDLS-UJMXGEILSA-N 1 3 364.578 2.265 20 0 FEADHO C[C@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000130727698 544162439 /nfs/dbraw/zinc/16/24/39/544162439.db2.gz MLMDSMKAZLEDLS-UJMXGEILSA-N 1 3 364.578 2.265 20 0 FEADHO CCOc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1OC ZINC000131237158 544181318 /nfs/dbraw/zinc/18/13/18/544181318.db2.gz ZXDMLUUBKWEIIS-UHFFFAOYSA-N 1 3 352.479 2.051 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCNC(=O)c1ccccc1F ZINC000130935560 544171401 /nfs/dbraw/zinc/17/14/01/544171401.db2.gz UKBIEPFTBLLBLK-GJYPPUQNSA-N 1 3 363.477 2.035 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCNC(=O)c1ccccc1F ZINC000130935560 544171402 /nfs/dbraw/zinc/17/14/02/544171402.db2.gz UKBIEPFTBLLBLK-GJYPPUQNSA-N 1 3 363.477 2.035 20 0 FEADHO CN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000152458845 544656740 /nfs/dbraw/zinc/65/67/40/544656740.db2.gz QAJPBZIHOMXRBC-KRWDZBQOSA-N 1 3 372.513 2.416 20 0 FEADHO CN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152458845 544656745 /nfs/dbraw/zinc/65/67/45/544656745.db2.gz QAJPBZIHOMXRBC-KRWDZBQOSA-N 1 3 372.513 2.416 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCC(C)(C)CO)CC2)CC1 ZINC000553177320 674243526 /nfs/dbraw/zinc/24/35/26/674243526.db2.gz WHVHMVJMOGEATB-UHFFFAOYSA-N 1 3 353.551 2.098 20 0 FEADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000182807742 327789796 /nfs/dbraw/zinc/78/97/96/327789796.db2.gz FWQNCVYYIKFZMS-RBUKOAKNSA-N 1 3 368.543 2.463 20 0 FEADHO CN1C(=O)CCc2cc(C[NH2+]C3CCN([C@@H]4CCCC[C@H]4O)CC3)ccc21 ZINC000187306993 328015073 /nfs/dbraw/zinc/01/50/73/328015073.db2.gz MDRGYRHVPDXSEX-NHCUHLMSSA-N 1 3 371.525 2.453 20 0 FEADHO CCCCNC(=O)NC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189955348 328178527 /nfs/dbraw/zinc/17/85/27/328178527.db2.gz BVHASNRIAVRZKL-IRXDYDNUSA-N 1 3 374.529 2.359 20 0 FEADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000237416072 328515414 /nfs/dbraw/zinc/51/54/14/328515414.db2.gz OLXLZZAJRJTENV-ICSRJNTNSA-N 1 3 358.530 2.317 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000089666174 325326223 /nfs/dbraw/zinc/32/62/23/325326223.db2.gz ZLVRNVZDAVICJK-XJKCOSOUSA-N 1 3 368.319 2.497 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000089666174 325326221 /nfs/dbraw/zinc/32/62/21/325326221.db2.gz ZLVRNVZDAVICJK-XJKCOSOUSA-N 1 3 368.319 2.497 20 0 FEADHO C[NH+]1CCC(CCNCc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000116339074 326008572 /nfs/dbraw/zinc/00/85/72/326008572.db2.gz SJCXZFBCVICRKE-UHFFFAOYSA-N 1 3 359.514 2.413 20 0 FEADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000118118533 326082644 /nfs/dbraw/zinc/08/26/44/326082644.db2.gz QBLXDMWNUFDULR-KRWDZBQOSA-N 1 3 374.529 2.458 20 0 FEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000118118533 326082649 /nfs/dbraw/zinc/08/26/49/326082649.db2.gz QBLXDMWNUFDULR-KRWDZBQOSA-N 1 3 374.529 2.458 20 0 FEADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000120768820 326286870 /nfs/dbraw/zinc/28/68/70/326286870.db2.gz SHDFOLFXJZHCKP-RTWAWAEBSA-N 1 3 373.541 2.494 20 0 FEADHO C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccc(OCCN(C)C)cc1 ZINC000120798658 326289035 /nfs/dbraw/zinc/28/90/35/326289035.db2.gz GCKZRAJBMOWWTH-RBUKOAKNSA-N 1 3 362.562 2.161 20 0 FEADHO CC(C)[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCCCC1 ZINC000122039084 326381852 /nfs/dbraw/zinc/38/18/52/326381852.db2.gz GAZNKGUCEFBPEO-HSALFYBXSA-N 1 3 365.562 2.381 20 0 FEADHO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000129326091 326538447 /nfs/dbraw/zinc/53/84/47/326538447.db2.gz YQZDWUNUPONHNI-CVEARBPZSA-N 1 3 350.532 2.478 20 0 FEADHO CC[NH+]1CCC(N(C)C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC1 ZINC000162968065 327039210 /nfs/dbraw/zinc/03/92/10/327039210.db2.gz HTDVQJIHPPPOOV-UHFFFAOYSA-N 1 3 373.541 2.447 20 0 FEADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)CNC[C@H]3CCCO3)cc2)CC1 ZINC000169206647 327088084 /nfs/dbraw/zinc/08/80/84/327088084.db2.gz JZFNCYOXCRDKDI-HXUWFJFHSA-N 1 3 374.529 2.172 20 0 FEADHO c1ccc(N2CCN(C[C@@H]3CCCN(CCC[NH+]4CCCC4)C3)CC2)nc1 ZINC000170794212 327099694 /nfs/dbraw/zinc/09/96/94/327099694.db2.gz PFNAUELCZFUTKE-OAQYLSRUSA-N 1 3 371.573 2.402 20 0 FEADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000173539838 327264931 /nfs/dbraw/zinc/26/49/31/327264931.db2.gz INQDEEXPGBANRH-FQEVSTJZSA-N 1 3 354.498 2.438 20 0 FEADHO CN1[C@@H]2CC[C@H]1CCN(C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)C2 ZINC000174705073 327344655 /nfs/dbraw/zinc/34/46/55/327344655.db2.gz RRBKAOFZRQZSNT-RBUKOAKNSA-N 1 3 374.529 2.395 20 0 FEADHO Cc1ccc(NC(=O)[C@H](C)N(C)CCC[NH+]2CCN(C)CC2)cc1F ZINC000174711814 327344888 /nfs/dbraw/zinc/34/48/88/327344888.db2.gz WJKQNLLJPQSNIP-INIZCTEOSA-N 1 3 350.482 2.030 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174840557 327354398 /nfs/dbraw/zinc/35/43/98/327354398.db2.gz PIRSJLKLYGRTDW-GOSISDBHSA-N 1 3 366.550 2.147 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176411502 327454140 /nfs/dbraw/zinc/45/41/40/327454140.db2.gz NFUSIUJAXJIXAE-ZWKOTPCHSA-N 1 3 354.539 2.048 20 0 FEADHO N[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C1CCOCC1 ZINC000261838035 328823355 /nfs/dbraw/zinc/82/33/55/328823355.db2.gz QJJFCXZFWYLMOR-HXUWFJFHSA-N 1 3 359.514 2.433 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N(C)CCN(C)C ZINC000267185064 329300477 /nfs/dbraw/zinc/30/04/77/329300477.db2.gz QJLJEACQYYBLBZ-UHFFFAOYSA-N 1 3 350.507 2.110 20 0 FEADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000269638697 329536515 /nfs/dbraw/zinc/53/65/15/329536515.db2.gz CNFYXBWWGXYQTN-KXBFYZLASA-N 1 3 365.518 2.405 20 0 FEADHO C[C@]1(NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO[C@@H]1C1CC1 ZINC000273051570 329833018 /nfs/dbraw/zinc/83/30/18/329833018.db2.gz KLRUWDVKPHVGSH-YADHBBJMSA-N 1 3 371.525 2.446 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)COc2ccccc2F)[C@@H](C)C1 ZINC000276154394 330124415 /nfs/dbraw/zinc/12/44/15/330124415.db2.gz CLBYTSBLQQLMQC-LNLFQRSKSA-N 1 3 368.493 2.292 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)COc2ccccc2F)[C@@H](C)C1 ZINC000276154394 330124416 /nfs/dbraw/zinc/12/44/16/330124416.db2.gz CLBYTSBLQQLMQC-LNLFQRSKSA-N 1 3 368.493 2.292 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC2(N(C)C)CCC2)cc1 ZINC000276475952 330156094 /nfs/dbraw/zinc/15/60/94/330156094.db2.gz ZHAPGYQXKVVUJM-UHFFFAOYSA-N 1 3 360.502 2.067 20 0 FEADHO C(CN1CCCO[C@@H]2CCC[C@H]21)OCC[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000367163132 330224495 /nfs/dbraw/zinc/22/44/95/330224495.db2.gz ISLUPJBWFMZVJK-UAFMIMERSA-N 1 3 352.519 2.290 20 0 FEADHO C(CN1CCCO[C@@H]2CCC[C@H]21)OCC[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000367163132 330224496 /nfs/dbraw/zinc/22/44/96/330224496.db2.gz ISLUPJBWFMZVJK-UAFMIMERSA-N 1 3 352.519 2.290 20 0 FEADHO CCC[N@@H+]1CCCN(C(=O)c2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC000155990763 545589818 /nfs/dbraw/zinc/58/98/18/545589818.db2.gz SJZWXUHWVYQNPM-UHFFFAOYSA-N 1 3 358.530 2.386 20 0 FEADHO CCC[N@H+]1CCCN(C(=O)c2ccc(N3CCN(CC)CC3)cc2)CC1 ZINC000155990763 545589821 /nfs/dbraw/zinc/58/98/21/545589821.db2.gz SJZWXUHWVYQNPM-UHFFFAOYSA-N 1 3 358.530 2.386 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCCS(=O)(=O)N(C)C)CC1 ZINC000158952826 545908469 /nfs/dbraw/zinc/90/84/69/545908469.db2.gz ZLRDJXDWORJWHK-KRWDZBQOSA-N 1 3 359.580 2.244 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCCS(=O)(=O)N(C)C)CC1 ZINC000158952826 545908473 /nfs/dbraw/zinc/90/84/73/545908473.db2.gz ZLRDJXDWORJWHK-KRWDZBQOSA-N 1 3 359.580 2.244 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000479792271 561197119 /nfs/dbraw/zinc/19/71/19/561197119.db2.gz YUPVSLOINKZUJC-APWZRJJASA-N 1 3 362.518 2.472 20 0 FEADHO CN(CCCOc1ccc(S(C)(=O)=O)cc1)CCC1CC[NH2+]CC1 ZINC000479696974 561195227 /nfs/dbraw/zinc/19/52/27/561195227.db2.gz YAIQHCJIVCHZBP-UHFFFAOYSA-N 1 3 354.516 2.181 20 0 FEADHO CN(CCCOc1cccc(S(C)(=O)=O)c1)CCC1CC[NH2+]CC1 ZINC000479696854 561195240 /nfs/dbraw/zinc/19/52/40/561195240.db2.gz XRQCUWXZPCKUMQ-UHFFFAOYSA-N 1 3 354.516 2.181 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176035481 546393339 /nfs/dbraw/zinc/39/33/39/546393339.db2.gz PETAKTUQNFTGEA-QZTJIDSGSA-N 1 3 362.518 2.299 20 0 FEADHO CC[NH+]1CCC(CCNC(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000176414177 546442729 /nfs/dbraw/zinc/44/27/29/546442729.db2.gz DSKMWJYCGDYVAK-UHFFFAOYSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177375002 546603075 /nfs/dbraw/zinc/60/30/75/546603075.db2.gz GECGGJRHDQFJFS-LMMKCTJWSA-N 1 3 352.567 2.028 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCOCc3ccccc3)CC2)CC1 ZINC000177478939 546628033 /nfs/dbraw/zinc/62/80/33/546628033.db2.gz XOWMJHGMOPIARG-UHFFFAOYSA-N 1 3 374.529 2.061 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177529289 546637899 /nfs/dbraw/zinc/63/78/99/546637899.db2.gz XBQSQBOUVHVYRX-IBGZPJMESA-N 1 3 366.550 2.194 20 0 FEADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000177541550 546640781 /nfs/dbraw/zinc/64/07/81/546640781.db2.gz BHEYVWHWHWYTMT-ICSRJNTNSA-N 1 3 358.530 2.188 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000480911195 561220089 /nfs/dbraw/zinc/22/00/89/561220089.db2.gz OWLWKGOZWJNGHN-SWLSCSKDSA-N 1 3 354.292 2.109 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000480911195 561220090 /nfs/dbraw/zinc/22/00/90/561220090.db2.gz OWLWKGOZWJNGHN-SWLSCSKDSA-N 1 3 354.292 2.109 20 0 FEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481291762 561229833 /nfs/dbraw/zinc/22/98/33/561229833.db2.gz MDARFZUTRQUGEO-DFGXFYAUSA-N 1 3 356.580 2.089 20 0 FEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481291762 561229834 /nfs/dbraw/zinc/22/98/34/561229834.db2.gz MDARFZUTRQUGEO-DFGXFYAUSA-N 1 3 356.580 2.089 20 0 FEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481694946 561238812 /nfs/dbraw/zinc/23/88/12/561238812.db2.gz TUUNXCLXMBVPGT-FUHWJXTLSA-N 1 3 356.580 2.378 20 0 FEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481694946 561238813 /nfs/dbraw/zinc/23/88/13/561238813.db2.gz TUUNXCLXMBVPGT-FUHWJXTLSA-N 1 3 356.580 2.378 20 0 FEADHO C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N1CCN(C)CC1 ZINC000180137712 547057476 /nfs/dbraw/zinc/05/74/76/547057476.db2.gz GIGYEQBIPMUAPZ-VEEZFSHISA-N 1 3 356.558 2.408 20 0 FEADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCN(C)CC1 ZINC000180137712 547057482 /nfs/dbraw/zinc/05/74/82/547057482.db2.gz GIGYEQBIPMUAPZ-VEEZFSHISA-N 1 3 356.558 2.408 20 0 FEADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCN(C)CC1 ZINC000180137712 547057485 /nfs/dbraw/zinc/05/74/85/547057485.db2.gz GIGYEQBIPMUAPZ-VEEZFSHISA-N 1 3 356.558 2.408 20 0 FEADHO C[C@@H](C(=O)N(C)C1CCCCC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180957796 547219723 /nfs/dbraw/zinc/21/97/23/547219723.db2.gz BULKLYVQZXWFRJ-KRWDZBQOSA-N 1 3 352.567 2.124 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000181669812 547356889 /nfs/dbraw/zinc/35/68/89/547356889.db2.gz QHUROSIKMXMCSZ-FHWLQOOXSA-N 1 3 359.514 2.271 20 0 FEADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000182487996 547502666 /nfs/dbraw/zinc/50/26/66/547502666.db2.gz OAPHKFPMSPZDGW-ROUUACIJSA-N 1 3 354.516 2.072 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)C1 ZINC000183350363 547643058 /nfs/dbraw/zinc/64/30/58/547643058.db2.gz FCYVYUGVOBWQGS-QYZOEREBSA-N 1 3 350.551 2.480 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)C1 ZINC000183350363 547643060 /nfs/dbraw/zinc/64/30/60/547643060.db2.gz FCYVYUGVOBWQGS-QYZOEREBSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)c2csc(CC[NH3+])n2)CCN1Cc1ccccc1 ZINC000194834296 548539288 /nfs/dbraw/zinc/53/92/88/548539288.db2.gz HSNVLQGSTGMRIS-HOCLYGCPSA-N 1 3 358.511 2.427 20 0 FEADHO COc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CCSC)N2CCCC2)cc1 ZINC000195128012 548580728 /nfs/dbraw/zinc/58/07/28/548580728.db2.gz BAVMVQJZDZWYIS-IRXDYDNUSA-N 1 3 351.516 2.029 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)C[C@@H]2CSCCN2)cc1 ZINC000236882057 548785432 /nfs/dbraw/zinc/78/54/32/548785432.db2.gz IENVYAFQBQKWCZ-QGZVFWFLSA-N 1 3 365.543 2.119 20 0 FEADHO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H](N)c3ccccc3)cc2)CC1 ZINC000236959720 548791715 /nfs/dbraw/zinc/79/17/15/548791715.db2.gz KKRWGSWOAHAICW-NRFANRHFSA-N 1 3 366.509 2.140 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)[C@@]2(C)CCCC[NH2+]2)cc1)[C@H]1CCCN(C)C1 ZINC000237187381 548806701 /nfs/dbraw/zinc/80/67/01/548806701.db2.gz GJWITAYBSWJLHG-GHTZIAJQSA-N 1 3 372.513 2.324 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000238024880 548872716 /nfs/dbraw/zinc/87/27/16/548872716.db2.gz KAEXJYABMRAMJB-UHFFFAOYSA-N 1 3 370.541 2.189 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000246338152 549109374 /nfs/dbraw/zinc/10/93/74/549109374.db2.gz ORLHUPBPXOEZHY-LEWJYISDSA-N 1 3 368.525 2.207 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000246338152 549109378 /nfs/dbraw/zinc/10/93/78/549109378.db2.gz ORLHUPBPXOEZHY-LEWJYISDSA-N 1 3 368.525 2.207 20 0 FEADHO COCCN1CC[C@H](NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000488946473 561400101 /nfs/dbraw/zinc/40/01/01/561400101.db2.gz FQFRKEQGUPOINX-PZJWPPBQSA-N 1 3 374.529 2.061 20 0 FEADHO COCCN1CC[C@H](NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000488946473 561400102 /nfs/dbraw/zinc/40/01/02/561400102.db2.gz FQFRKEQGUPOINX-PZJWPPBQSA-N 1 3 374.529 2.061 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000247028800 549268811 /nfs/dbraw/zinc/26/88/11/549268811.db2.gz NJLVVUIUBMVALN-FRQCXROJSA-N 1 3 367.559 2.333 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCCN2CC)[C@@H](C)C1 ZINC000247295712 549313571 /nfs/dbraw/zinc/31/35/71/549313571.db2.gz ULUDAFAPFLNBSI-FHWLQOOXSA-N 1 3 368.566 2.297 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCCN2CC)[C@@H](C)C1 ZINC000247295712 549313574 /nfs/dbraw/zinc/31/35/74/549313574.db2.gz ULUDAFAPFLNBSI-FHWLQOOXSA-N 1 3 368.566 2.297 20 0 FEADHO [NH3+]C[C@@H]1CN(C(=O)CC2(N3CCOCC3)CCCC2)C[C@H]1c1ccccc1 ZINC000261645355 549737978 /nfs/dbraw/zinc/73/79/78/549737978.db2.gz FXTIBGYXDKZBHC-UXHICEINSA-N 1 3 371.525 2.222 20 0 FEADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H](N)C3CCOCC3)cc2)CC1 ZINC000261919200 549769459 /nfs/dbraw/zinc/76/94/59/549769459.db2.gz YKQWBFBZLPWCBC-HXUWFJFHSA-N 1 3 359.514 2.289 20 0 FEADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H](N)C3CCOCC3)cc2)C1 ZINC000262077063 549787093 /nfs/dbraw/zinc/78/70/93/549787093.db2.gz SWGAXOYLTAPWMN-BEFAXECRSA-N 1 3 361.486 2.100 20 0 FEADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H](N)C3CCOCC3)cc2)C1 ZINC000262077063 549787096 /nfs/dbraw/zinc/78/70/96/549787096.db2.gz SWGAXOYLTAPWMN-BEFAXECRSA-N 1 3 361.486 2.100 20 0 FEADHO [NH3+][C@H]1CCC[C@H](C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000262274722 549805069 /nfs/dbraw/zinc/80/50/69/549805069.db2.gz JDNFKALAILMUER-OALUTQOASA-N 1 3 358.530 2.223 20 0 FEADHO C[C@@H]1CCC[C@](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)([NH+](C)C)C1 ZINC000262286401 549806334 /nfs/dbraw/zinc/80/63/34/549806334.db2.gz VJOAEAAEOMYTJT-BUSATUKNSA-N 1 3 351.535 2.146 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CN1Cc1ccccc1 ZINC000262871908 549857761 /nfs/dbraw/zinc/85/77/61/549857761.db2.gz XVPMXZCCYMQBKO-NZSAHSFTSA-N 1 3 367.497 2.200 20 0 FEADHO C[C@@H](C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)CN(C)C ZINC000491588452 561446826 /nfs/dbraw/zinc/44/68/26/561446826.db2.gz INKXFGONJRZJKW-INIZCTEOSA-N 1 3 369.937 2.338 20 0 FEADHO CN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268558660 550087027 /nfs/dbraw/zinc/08/70/27/550087027.db2.gz XZPPBMFOVSKAPD-UYAOXDASSA-N 1 3 356.514 2.387 20 0 FEADHO CN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268558660 550087030 /nfs/dbraw/zinc/08/70/30/550087030.db2.gz XZPPBMFOVSKAPD-UYAOXDASSA-N 1 3 356.514 2.387 20 0 FEADHO CN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268558655 550087374 /nfs/dbraw/zinc/08/73/74/550087374.db2.gz XZPPBMFOVSKAPD-QUCCMNQESA-N 1 3 356.514 2.387 20 0 FEADHO CN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268558655 550087376 /nfs/dbraw/zinc/08/73/76/550087376.db2.gz XZPPBMFOVSKAPD-QUCCMNQESA-N 1 3 356.514 2.387 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000269277943 550175419 /nfs/dbraw/zinc/17/54/19/550175419.db2.gz YONFKONXSQQTQO-SXLOBPIMSA-N 1 3 359.514 2.206 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000493833107 561458323 /nfs/dbraw/zinc/45/83/23/561458323.db2.gz BRUIIUZMBVBUGZ-LJQANCHMSA-N 1 3 362.518 2.472 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000493833107 561458324 /nfs/dbraw/zinc/45/83/24/561458324.db2.gz BRUIIUZMBVBUGZ-LJQANCHMSA-N 1 3 362.518 2.472 20 0 FEADHO CC[C@@H](C)[C@H]1CN(CCn2ccnc2C)CC[N@@H+]1CCn1ccnc1C ZINC000270848972 550313735 /nfs/dbraw/zinc/31/37/35/550313735.db2.gz HNKUIDAVILGJDF-YLJYHZDGSA-N 1 3 358.534 2.429 20 0 FEADHO CC[C@@H](C)[C@H]1CN(CCn2ccnc2C)CC[N@H+]1CCn1ccnc1C ZINC000270848972 550313738 /nfs/dbraw/zinc/31/37/38/550313738.db2.gz HNKUIDAVILGJDF-YLJYHZDGSA-N 1 3 358.534 2.429 20 0 FEADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000270899652 550319010 /nfs/dbraw/zinc/31/90/10/550319010.db2.gz RZEIVKKFUAAZGE-LEWJYISDSA-N 1 3 371.525 2.248 20 0 FEADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000270899652 550319013 /nfs/dbraw/zinc/31/90/13/550319013.db2.gz RZEIVKKFUAAZGE-LEWJYISDSA-N 1 3 371.525 2.248 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272682451 550464774 /nfs/dbraw/zinc/46/47/74/550464774.db2.gz SSIQVKBENQAFKM-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO C[C@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)C1=CCN(C)CC1 ZINC000272895153 550475748 /nfs/dbraw/zinc/47/57/48/550475748.db2.gz ZZUPVJSJOIATEI-INIZCTEOSA-N 1 3 360.502 2.077 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000274507620 550541303 /nfs/dbraw/zinc/54/13/03/550541303.db2.gz JSHPIXIAZTVXNN-UHFFFAOYSA-N 1 3 362.518 2.253 20 0 FEADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000274514188 550541693 /nfs/dbraw/zinc/54/16/93/550541693.db2.gz YJMJPKFRLZWGOE-SFHVURJKSA-N 1 3 358.530 2.038 20 0 FEADHO C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000274514186 550541779 /nfs/dbraw/zinc/54/17/79/550541779.db2.gz YJMJPKFRLZWGOE-GOSISDBHSA-N 1 3 358.530 2.038 20 0 FEADHO CCN1CCC(n2nccc2NC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000276694136 550586107 /nfs/dbraw/zinc/58/61/07/550586107.db2.gz UXYWGHICKOPQRA-UHFFFAOYSA-N 1 3 367.497 2.480 20 0 FEADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 ZINC000277355729 550660373 /nfs/dbraw/zinc/66/03/73/550660373.db2.gz WWWPRCNYFQIPBP-KRWDZBQOSA-N 1 3 372.513 2.324 20 0 FEADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 ZINC000277355729 550660374 /nfs/dbraw/zinc/66/03/74/550660374.db2.gz WWWPRCNYFQIPBP-KRWDZBQOSA-N 1 3 372.513 2.324 20 0 FEADHO CS[C@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@H]1[NH+](C)C ZINC000495731328 561490776 /nfs/dbraw/zinc/49/07/76/561490776.db2.gz ZVKHSQUGBDRFQC-MSOLQXFVSA-N 1 3 356.495 2.365 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000281161585 551069591 /nfs/dbraw/zinc/06/95/91/551069591.db2.gz KPGWLPJKPDRXEN-UHFFFAOYSA-N 1 3 362.518 2.254 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000281547360 551111770 /nfs/dbraw/zinc/11/17/70/551111770.db2.gz VFDBIPJKGANFAO-UHFFFAOYSA-N 1 3 374.529 2.411 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H](CC[NH3+])C3)cc2)CC1 ZINC000282007970 551169027 /nfs/dbraw/zinc/16/90/27/551169027.db2.gz RATVVTAEGVVUQD-SFHVURJKSA-N 1 3 358.530 2.418 20 0 FEADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H](N)C3CCOCC3)cc2)CC1 ZINC000282451960 551230978 /nfs/dbraw/zinc/23/09/78/551230978.db2.gz HMUGAPRTARQKSC-FQEVSTJZSA-N 1 3 374.529 2.157 20 0 FEADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000498142140 561516844 /nfs/dbraw/zinc/51/68/44/561516844.db2.gz QNOYDWFQBDATNJ-YLJYHZDGSA-N 1 3 370.541 2.354 20 0 FEADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)c3ccc(=O)[nH]n3)CC2)c1 ZINC000285687739 551795570 /nfs/dbraw/zinc/79/55/70/551795570.db2.gz OHRTTWGWHKIMJW-SFHVURJKSA-N 1 3 369.513 2.331 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(Cl)ccn3)CC2)CC1 ZINC000286838208 551931954 /nfs/dbraw/zinc/93/19/54/551931954.db2.gz UGVDUEFYUSTQRH-UHFFFAOYSA-N 1 3 351.882 2.415 20 0 FEADHO CCN1CCCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000287822596 552051647 /nfs/dbraw/zinc/05/16/47/552051647.db2.gz MMOLBPNZOBHRPW-UHFFFAOYSA-N 1 3 374.529 2.397 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000288218825 552112954 /nfs/dbraw/zinc/11/29/54/552112954.db2.gz PFNPZTIYSBGQDZ-HNAYVOBHSA-N 1 3 360.502 2.248 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000288218825 552112957 /nfs/dbraw/zinc/11/29/57/552112957.db2.gz PFNPZTIYSBGQDZ-HNAYVOBHSA-N 1 3 360.502 2.248 20 0 FEADHO Cc1nc2ccccn2c(=O)c1CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000289293716 552296540 /nfs/dbraw/zinc/29/65/40/552296540.db2.gz BMHMTOSZVCKZEJ-PXNSSMCTSA-N 1 3 366.509 2.494 20 0 FEADHO Cc1nc2ccccn2c(=O)c1CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000289293716 552296542 /nfs/dbraw/zinc/29/65/42/552296542.db2.gz BMHMTOSZVCKZEJ-PXNSSMCTSA-N 1 3 366.509 2.494 20 0 FEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000289463946 552325701 /nfs/dbraw/zinc/32/57/01/552325701.db2.gz AEEHXZNPZHVPNZ-PMACEKPBSA-N 1 3 359.514 2.412 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn(C)nc1-c1cccnc1 ZINC000289545423 552338159 /nfs/dbraw/zinc/33/81/59/552338159.db2.gz XBTNGCDSLYIYEQ-HXUWFJFHSA-N 1 3 370.545 2.330 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn(C)nc1-c1cccnc1 ZINC000289545423 552338162 /nfs/dbraw/zinc/33/81/62/552338162.db2.gz XBTNGCDSLYIYEQ-HXUWFJFHSA-N 1 3 370.545 2.330 20 0 FEADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000289692421 552363009 /nfs/dbraw/zinc/36/30/09/552363009.db2.gz DZBMXBVKSCLMDB-JQHSSLGASA-N 1 3 363.502 2.149 20 0 FEADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H](N)CCC(=O)OC)c1 ZINC000289828146 552384908 /nfs/dbraw/zinc/38/49/08/552384908.db2.gz JRGUPDCVDBTJBX-SFHVURJKSA-N 1 3 363.502 2.205 20 0 FEADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H](N)CCC(=O)OC)c1 ZINC000289828146 552384910 /nfs/dbraw/zinc/38/49/10/552384910.db2.gz JRGUPDCVDBTJBX-SFHVURJKSA-N 1 3 363.502 2.205 20 0 FEADHO CCN1CCN(CCCC[NH2+]Cc2ccc(COCCOC)cc2)CC1 ZINC000289911878 552398495 /nfs/dbraw/zinc/39/84/95/552398495.db2.gz YZLVPNKFEZSIFI-UHFFFAOYSA-N 1 3 363.546 2.357 20 0 FEADHO CCC(CC)(CNC(=O)[C@@H](N)CCC(=O)OC)[NH2+][C@H](C)c1ccccc1 ZINC000290097498 552426971 /nfs/dbraw/zinc/42/69/71/552426971.db2.gz XLWQXDZFPDUDTC-WBVHZDCISA-N 1 3 363.502 2.293 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CCN1Cc1ccccc1 ZINC000291755026 552658623 /nfs/dbraw/zinc/65/86/23/552658623.db2.gz KTLQBFTUNXEMCM-JRGCBEDISA-N 1 3 371.525 2.409 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CCN1Cc1ccccc1 ZINC000291755026 552658625 /nfs/dbraw/zinc/65/86/25/552658625.db2.gz KTLQBFTUNXEMCM-JRGCBEDISA-N 1 3 371.525 2.409 20 0 FEADHO COCCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000292865320 552766467 /nfs/dbraw/zinc/76/64/67/552766467.db2.gz RYCVVXJBMIQDIE-SBHAEUEKSA-N 1 3 362.514 2.031 20 0 FEADHO COCCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000292865320 552766468 /nfs/dbraw/zinc/76/64/68/552766468.db2.gz RYCVVXJBMIQDIE-SBHAEUEKSA-N 1 3 362.514 2.031 20 0 FEADHO C[C@H]1CCC[N@H+](CCNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000501556475 561600613 /nfs/dbraw/zinc/60/06/13/561600613.db2.gz YJAJJMMZRFVDQE-SFHVURJKSA-N 1 3 358.530 2.466 20 0 FEADHO C[C@H]1CCC[N@@H+](CCNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000501556475 561600614 /nfs/dbraw/zinc/60/06/14/561600614.db2.gz YJAJJMMZRFVDQE-SFHVURJKSA-N 1 3 358.530 2.466 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](O)CC1 ZINC000293121341 552790766 /nfs/dbraw/zinc/79/07/66/552790766.db2.gz MHIQONKNGYCRHN-YLJYHZDGSA-N 1 3 359.514 2.003 20 0 FEADHO COc1cc(C)c(C[C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1OC ZINC000502250157 561614972 /nfs/dbraw/zinc/61/49/72/561614972.db2.gz DNSVWSPYHWHHPA-SJLPKXTDSA-N 1 3 350.503 2.380 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000296900816 553227366 /nfs/dbraw/zinc/22/73/66/553227366.db2.gz DLYYQOAZXUKCCL-YQQQUEKLSA-N 1 3 374.529 2.094 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000296900816 553227367 /nfs/dbraw/zinc/22/73/67/553227367.db2.gz DLYYQOAZXUKCCL-YQQQUEKLSA-N 1 3 374.529 2.094 20 0 FEADHO C[C@@H]1CN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CCN(C2CC2)C1 ZINC000298261903 553405048 /nfs/dbraw/zinc/40/50/48/553405048.db2.gz LNOOLOFXLRIAGG-KRWDZBQOSA-N 1 3 358.530 2.416 20 0 FEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000504549195 561659645 /nfs/dbraw/zinc/65/96/45/561659645.db2.gz ZRFMSQANWYSBJH-JFRXWTBNSA-N 1 3 371.591 2.337 20 0 FEADHO C[N@H+](CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000506819304 561709267 /nfs/dbraw/zinc/70/92/67/561709267.db2.gz LADRRBUACMGMPN-QGZVFWFLSA-N 1 3 351.441 2.354 20 0 FEADHO C[N@@H+](CCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000506819304 561709268 /nfs/dbraw/zinc/70/92/68/561709268.db2.gz LADRRBUACMGMPN-QGZVFWFLSA-N 1 3 351.441 2.354 20 0 FEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000507388227 561727740 /nfs/dbraw/zinc/72/77/40/561727740.db2.gz DZFZLBNONGLFGN-KRWDZBQOSA-N 1 3 358.530 2.117 20 0 FEADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000507388227 561727741 /nfs/dbraw/zinc/72/77/41/561727741.db2.gz DZFZLBNONGLFGN-KRWDZBQOSA-N 1 3 358.530 2.117 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000509411961 561798358 /nfs/dbraw/zinc/79/83/58/561798358.db2.gz YEZHLDZCHDVNEC-AZUAARDMSA-N 1 3 356.514 2.072 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)Cc1ccccc1 ZINC000510350936 561832202 /nfs/dbraw/zinc/83/22/02/561832202.db2.gz LPYITJWWTLWQAH-IBGZPJMESA-N 1 3 358.530 2.429 20 0 FEADHO Cc1oc2ccccc2c1CN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000333183158 554584720 /nfs/dbraw/zinc/58/47/20/554584720.db2.gz SIESSIAKYGCBBO-RTBURBONSA-N 1 3 368.481 2.461 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000333580541 554625196 /nfs/dbraw/zinc/62/51/96/554625196.db2.gz NQVRSUDTROYPMI-XZEJUNMKSA-N 1 3 356.514 2.276 20 0 FEADHO Cc1ccc(NC(=O)NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)c1 ZINC000333599565 554626724 /nfs/dbraw/zinc/62/67/24/554626724.db2.gz QEYPRPIDAFGYNI-INIZCTEOSA-N 1 3 358.486 2.416 20 0 FEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333827502 554647328 /nfs/dbraw/zinc/64/73/28/554647328.db2.gz ITKBDNOXWFYUPJ-HHXXYDBFSA-N 1 3 351.535 2.384 20 0 FEADHO C[C@H](NC(=O)NCC1(N2CCSCC2)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000333948021 554660017 /nfs/dbraw/zinc/66/00/17/554660017.db2.gz VZNLDRRPGBMFFO-JKSUJKDBSA-N 1 3 354.564 2.035 20 0 FEADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000360963157 554897624 /nfs/dbraw/zinc/89/76/24/554897624.db2.gz VSLIEVXNBJURCH-HXUWFJFHSA-N 1 3 358.530 2.468 20 0 FEADHO C[C@@H]1CN(C(=O)C2CC[NH+](CCCN3CCCCC3)CC2)C[C@H](C)O1 ZINC000363006526 555008244 /nfs/dbraw/zinc/00/82/44/555008244.db2.gz LTNDDKVYSCYRSB-HDICACEKSA-N 1 3 351.535 2.210 20 0 FEADHO CC[NH+](CC)CCNC(=O)N(C)C1CCN(CCc2ccncc2)CC1 ZINC000363641495 555152879 /nfs/dbraw/zinc/15/28/79/555152879.db2.gz OLWLZDGJPHENDX-UHFFFAOYSA-N 1 3 361.534 2.072 20 0 FEADHO COc1ccc(NC(=O)CCN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000363651832 555155395 /nfs/dbraw/zinc/15/53/95/555155395.db2.gz NBWTUUPZXWRLQK-LJQANCHMSA-N 1 3 374.529 2.124 20 0 FEADHO COc1ccc(NC(=O)CCN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000363651832 555155398 /nfs/dbraw/zinc/15/53/98/555155398.db2.gz NBWTUUPZXWRLQK-LJQANCHMSA-N 1 3 374.529 2.124 20 0 FEADHO COc1c(CNCCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)nn1C ZINC000363663183 555158665 /nfs/dbraw/zinc/15/86/65/555158665.db2.gz RRYWLLFDKCSOMW-UHFFFAOYSA-N 1 3 363.550 2.023 20 0 FEADHO CN1CCC([NH+]2CCC(CCNCc3cc(C(N)=O)cs3)CC2)CC1 ZINC000363732448 555174184 /nfs/dbraw/zinc/17/41/84/555174184.db2.gz GXTWSJSCRYWPPW-UHFFFAOYSA-N 1 3 364.559 2.133 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@]4(CCC[C@@H]4[NH3+])C3)cc2)CC1 ZINC000364201480 555268888 /nfs/dbraw/zinc/26/88/88/555268888.db2.gz XGMYGNYZGWESJB-FPOVZHCZSA-N 1 3 356.514 2.172 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000364722158 555385349 /nfs/dbraw/zinc/38/53/49/555385349.db2.gz DCHKMHZBJBCLLM-TWGXZMITSA-N 1 3 351.535 2.003 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000364722158 555385352 /nfs/dbraw/zinc/38/53/52/555385352.db2.gz DCHKMHZBJBCLLM-TWGXZMITSA-N 1 3 351.535 2.003 20 0 FEADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(N)Cc2ccccc2C1 ZINC000364851115 555415562 /nfs/dbraw/zinc/41/55/62/555415562.db2.gz OGCBSEDRYYWFKE-LJQANCHMSA-N 1 3 363.505 2.463 20 0 FEADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N)Cc2ccccc2C1 ZINC000364851115 555415564 /nfs/dbraw/zinc/41/55/64/555415564.db2.gz OGCBSEDRYYWFKE-LJQANCHMSA-N 1 3 363.505 2.463 20 0 FEADHO CN1CCC(N2CC[C@H]([N@H+](C)CC3CCC4(CC3)OCCO4)C2)CC1 ZINC000365190586 555505923 /nfs/dbraw/zinc/50/59/23/555505923.db2.gz BSQHJSPNFGSWSX-IBGZPJMESA-N 1 3 351.535 2.020 20 0 FEADHO CN1CCC(N2CC[C@H]([N@@H+](C)CC3CCC4(CC3)OCCO4)C2)CC1 ZINC000365190586 555505926 /nfs/dbraw/zinc/50/59/26/555505926.db2.gz BSQHJSPNFGSWSX-IBGZPJMESA-N 1 3 351.535 2.020 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)c1 ZINC000365488487 555589044 /nfs/dbraw/zinc/58/90/44/555589044.db2.gz ZIGBHJNVHVJIOQ-UHFFFAOYSA-N 1 3 360.502 2.467 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC[N@H+](C3CCOCC3)CC2)c1 ZINC000365488487 555589047 /nfs/dbraw/zinc/58/90/47/555589047.db2.gz ZIGBHJNVHVJIOQ-UHFFFAOYSA-N 1 3 360.502 2.467 20 0 FEADHO C[NH+]1CCC(CC(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)CC1 ZINC000365874973 555689654 /nfs/dbraw/zinc/68/96/54/555689654.db2.gz APWVBNLFZZRSRM-UHFFFAOYSA-N 1 3 359.514 2.486 20 0 FEADHO O=C1c2ccccc2C(=O)N1CCNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000366266391 555796711 /nfs/dbraw/zinc/79/67/11/555796711.db2.gz HXGHBLLBBTVBPV-SFHVURJKSA-N 1 3 363.461 2.394 20 0 FEADHO O=C1c2ccccc2C(=O)N1CCNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366266391 555796714 /nfs/dbraw/zinc/79/67/14/555796714.db2.gz HXGHBLLBBTVBPV-SFHVURJKSA-N 1 3 363.461 2.394 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000366326092 555813016 /nfs/dbraw/zinc/81/30/16/555813016.db2.gz QQBCPDHFKLJHNJ-NMLBUPMWSA-N 1 3 356.514 2.331 20 0 FEADHO CCN1CCN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cn2)CC1 ZINC000514099756 561960419 /nfs/dbraw/zinc/96/04/19/561960419.db2.gz QLYCNUXNDOLZHY-VAMGGRTRSA-N 1 3 357.546 2.186 20 0 FEADHO CCN1CCN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cn2)CC1 ZINC000514099756 561960421 /nfs/dbraw/zinc/96/04/21/561960421.db2.gz QLYCNUXNDOLZHY-VAMGGRTRSA-N 1 3 357.546 2.186 20 0 FEADHO CN1CCN(CC2(C)CC[NH+](CCCO[C@@H]3CCCCO3)CC2)CC1 ZINC000366974583 555986411 /nfs/dbraw/zinc/98/64/11/555986411.db2.gz GQPMXTDIHFSDDN-LJQANCHMSA-N 1 3 353.551 2.269 20 0 FEADHO C[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000367021023 555999443 /nfs/dbraw/zinc/99/94/43/555999443.db2.gz PESQNKCZPFGPAJ-GHTZIAJQSA-N 1 3 353.514 2.330 20 0 FEADHO C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000367021023 555999445 /nfs/dbraw/zinc/99/94/45/555999445.db2.gz PESQNKCZPFGPAJ-GHTZIAJQSA-N 1 3 353.514 2.330 20 0 FEADHO C[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367021023 555999448 /nfs/dbraw/zinc/99/94/48/555999448.db2.gz PESQNKCZPFGPAJ-GHTZIAJQSA-N 1 3 353.514 2.330 20 0 FEADHO C[C@H]1C[N@H+](CCCNC[C@H](O)COCc2ccccc2Cl)CCCO1 ZINC000514669053 561972936 /nfs/dbraw/zinc/97/29/36/561972936.db2.gz VXSZFSVWBYXGKV-WMZOPIPTSA-N 1 3 370.921 2.308 20 0 FEADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)COCc2ccccc2Cl)CCCO1 ZINC000514669053 561972937 /nfs/dbraw/zinc/97/29/37/561972937.db2.gz VXSZFSVWBYXGKV-WMZOPIPTSA-N 1 3 370.921 2.308 20 0 FEADHO O[C@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)Cc1ccc(F)cc1 ZINC000515165773 561998677 /nfs/dbraw/zinc/99/86/77/561998677.db2.gz GIINSAPWYMJZSE-QFIPXVFZSA-N 1 3 372.484 2.476 20 0 FEADHO COc1ccc([C@H](CNC(=O)N2CC[NH+]3CCC2CC3)N2CCCC2)cc1 ZINC000368496724 556326695 /nfs/dbraw/zinc/32/66/95/556326695.db2.gz RJHNRUQDMGZHNJ-FQEVSTJZSA-N 1 3 372.513 2.322 20 0 FEADHO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369199992 556533981 /nfs/dbraw/zinc/53/39/81/556533981.db2.gz CCEPVPBGUUHIML-PKOBYXMFSA-N 1 3 361.534 2.323 20 0 FEADHO O=C(CCCN1CCN(c2ccccc2)CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000516058797 562029249 /nfs/dbraw/zinc/02/92/49/562029249.db2.gz OWDMHMJEYWUAQE-UHFFFAOYSA-N 1 3 370.541 2.191 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@@H](C(C)(C)C)C3)CC2)CC1 ZINC000516084430 562030112 /nfs/dbraw/zinc/03/01/12/562030112.db2.gz BKLGFQFLRVIKRG-LJQANCHMSA-N 1 3 365.562 2.456 20 0 FEADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369307620 556570422 /nfs/dbraw/zinc/57/04/22/556570422.db2.gz OIZMMURIXIHZTP-HOJAQTOUSA-N 1 3 371.529 2.172 20 0 FEADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369307620 556570425 /nfs/dbraw/zinc/57/04/25/556570425.db2.gz OIZMMURIXIHZTP-HOJAQTOUSA-N 1 3 371.529 2.172 20 0 FEADHO COCCCN1CCCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000369654503 556659318 /nfs/dbraw/zinc/65/93/18/556659318.db2.gz DJLPGDPGKKZFIJ-KRWDZBQOSA-N 1 3 356.555 2.107 20 0 FEADHO CN(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000369856970 556713563 /nfs/dbraw/zinc/71/35/63/556713563.db2.gz DVXYEBGKOCZLFN-LCLWPZTBSA-N 1 3 356.514 2.482 20 0 FEADHO CN(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000369856970 556713565 /nfs/dbraw/zinc/71/35/65/556713565.db2.gz DVXYEBGKOCZLFN-LCLWPZTBSA-N 1 3 356.514 2.482 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000370051601 556767748 /nfs/dbraw/zinc/76/77/48/556767748.db2.gz XCXCAGLSCIPXNB-BZSNNMDCSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000370051601 556767750 /nfs/dbraw/zinc/76/77/50/556767750.db2.gz XCXCAGLSCIPXNB-BZSNNMDCSA-N 1 3 366.550 2.002 20 0 FEADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000370090748 556777939 /nfs/dbraw/zinc/77/79/39/556777939.db2.gz SIBOCUCQUNQAED-RBUKOAKNSA-N 1 3 364.578 2.031 20 0 FEADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000370090748 556777941 /nfs/dbraw/zinc/77/79/41/556777941.db2.gz SIBOCUCQUNQAED-RBUKOAKNSA-N 1 3 364.578 2.031 20 0 FEADHO CC(C)CC(=O)N1CCC(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000370177306 556803799 /nfs/dbraw/zinc/80/37/99/556803799.db2.gz YBZXQYHRAINKOZ-HSALFYBXSA-N 1 3 365.562 2.455 20 0 FEADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000516633887 562051907 /nfs/dbraw/zinc/05/19/07/562051907.db2.gz FFLLCWNQEHYDGF-PMPSAXMXSA-N 1 3 350.532 2.387 20 0 FEADHO C[NH+](C)CC1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000370295226 556832458 /nfs/dbraw/zinc/83/24/58/556832458.db2.gz VEKODICMYMMOEZ-UHFFFAOYSA-N 1 3 354.498 2.326 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000370461111 556879621 /nfs/dbraw/zinc/87/96/21/556879621.db2.gz CUMWXDGIIOCCBX-DNVCBOLYSA-N 1 3 357.502 2.175 20 0 FEADHO Cc1cccc(C(=O)NCCN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000370676646 556937387 /nfs/dbraw/zinc/93/73/87/556937387.db2.gz MTMZBVOWHRYXJC-YSIASYRMSA-N 1 3 359.514 2.204 20 0 FEADHO Cc1cccc(C(=O)NCCN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000370676646 556937388 /nfs/dbraw/zinc/93/73/88/556937388.db2.gz MTMZBVOWHRYXJC-YSIASYRMSA-N 1 3 359.514 2.204 20 0 FEADHO COC1(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]CC1 ZINC000370763201 556961243 /nfs/dbraw/zinc/96/12/43/556961243.db2.gz GSXQUBBYHWFNQX-NRFANRHFSA-N 1 3 371.525 2.270 20 0 FEADHO O=C1[C@@H](N2CCC(CCC[NH+]3CCCC3)CC2)CCN1C1CCOCC1 ZINC000370951310 557025865 /nfs/dbraw/zinc/02/58/65/557025865.db2.gz WGLQPCFACFVVQJ-FQEVSTJZSA-N 1 3 363.546 2.354 20 0 FEADHO CCC[NH+]1CCC(N2CCN(C(=O)C[C@H](N)c3ccccc3)CC2)CC1 ZINC000371281657 557129590 /nfs/dbraw/zinc/12/95/90/557129590.db2.gz WNUHSSTWGSQMCM-FQEVSTJZSA-N 1 3 358.530 2.095 20 0 FEADHO CC(C)N1CCN(C2CCN(C(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000371349086 557155686 /nfs/dbraw/zinc/15/56/86/557155686.db2.gz FPHBDRGOUZCDMK-OTWHNJEPSA-N 1 3 364.578 2.265 20 0 FEADHO CC(C)N1CCN(C2CCN(C(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000371349086 557155689 /nfs/dbraw/zinc/15/56/89/557155689.db2.gz FPHBDRGOUZCDMK-OTWHNJEPSA-N 1 3 364.578 2.265 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000371599263 557235433 /nfs/dbraw/zinc/23/54/33/557235433.db2.gz MSHMQLQBRQVLHN-LJQANCHMSA-N 1 3 366.550 2.051 20 0 FEADHO CCN(CC)[C@@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000517883291 562099864 /nfs/dbraw/zinc/09/98/64/562099864.db2.gz LHCUYGQALDDYJZ-HXUWFJFHSA-N 1 3 360.546 2.213 20 0 FEADHO CN1CCC[C@H](CNC(=O)COC2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000517932885 562101066 /nfs/dbraw/zinc/10/10/66/562101066.db2.gz TUTBZYTYNSBTOE-RDTXWAMCSA-N 1 3 351.516 2.016 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000371792967 557294733 /nfs/dbraw/zinc/29/47/33/557294733.db2.gz QSZJRDPGXQOKGN-RBUKOAKNSA-N 1 3 351.535 2.257 20 0 FEADHO CCc1nc(C)c([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)s1 ZINC000518360049 562109486 /nfs/dbraw/zinc/10/94/86/562109486.db2.gz GPGDYLKAOPCAPZ-KHIZAZIESA-N 1 3 350.532 2.311 20 0 FEADHO C[C@H]1CN(Cc2cc3ccccc3[nH]c2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372329657 557440968 /nfs/dbraw/zinc/44/09/68/557440968.db2.gz COYKQRGQXYFMCA-JXFKEZNVSA-N 1 3 354.498 2.398 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC[NH2+]1 ZINC000519695144 562140382 /nfs/dbraw/zinc/14/03/82/562140382.db2.gz FWTJLZAAJKNZNK-PMPSAXMXSA-N 1 3 350.532 2.400 20 0 FEADHO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C1CCN(Cc2cccnc2)CC1 ZINC000373130430 557634852 /nfs/dbraw/zinc/63/48/52/557634852.db2.gz LMIYOUXRUPJUGH-FQEVSTJZSA-N 1 3 356.514 2.427 20 0 FEADHO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C1CCN(Cc2cccnc2)CC1 ZINC000373130430 557634854 /nfs/dbraw/zinc/63/48/54/557634854.db2.gz LMIYOUXRUPJUGH-FQEVSTJZSA-N 1 3 356.514 2.427 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373931700 557790061 /nfs/dbraw/zinc/79/00/61/557790061.db2.gz CULAXAUXDUPTQE-IRXDYDNUSA-N 1 3 366.575 2.274 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373931700 557790064 /nfs/dbraw/zinc/79/00/64/557790064.db2.gz CULAXAUXDUPTQE-IRXDYDNUSA-N 1 3 366.575 2.274 20 0 FEADHO O=C(CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCOCC1 ZINC000374051938 557814535 /nfs/dbraw/zinc/81/45/35/557814535.db2.gz ASARTOZIHOOFOF-QFIPXVFZSA-N 1 3 371.525 2.223 20 0 FEADHO O=C(CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCOCC1 ZINC000374051938 557814537 /nfs/dbraw/zinc/81/45/37/557814537.db2.gz ASARTOZIHOOFOF-QFIPXVFZSA-N 1 3 371.525 2.223 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)NC[C@H](C)N(C)C3CC3)CCCC2)CC1 ZINC000520788159 562163618 /nfs/dbraw/zinc/16/36/18/562163618.db2.gz UHQQQDQXHZIORJ-INIZCTEOSA-N 1 3 366.550 2.192 20 0 FEADHO CC(=O)N1CC[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2ccccc2C1 ZINC000374227000 557846887 /nfs/dbraw/zinc/84/68/87/557846887.db2.gz CURDVIYBYNWGDW-HXUWFJFHSA-N 1 3 358.530 2.096 20 0 FEADHO CC(C)[C@H](C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)N1CCCCC1 ZINC000374402103 557879465 /nfs/dbraw/zinc/87/94/65/557879465.db2.gz SELRVWMQKLJYEZ-FCGDIQPGSA-N 1 3 351.535 2.207 20 0 FEADHO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000521253304 562173070 /nfs/dbraw/zinc/17/30/70/562173070.db2.gz XPKRUMVVOHKSLD-GHTZIAJQSA-N 1 3 370.541 2.188 20 0 FEADHO C[NH+]1CCC2(CCCN(Cc3cnc(N4CCOCC4)s3)C2)CC1 ZINC000375999067 558111834 /nfs/dbraw/zinc/11/18/34/558111834.db2.gz IWNKJGCEXIXCTR-UHFFFAOYSA-N 1 3 350.532 2.288 20 0 FEADHO C[N@H+](CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000376239213 558146345 /nfs/dbraw/zinc/14/63/45/558146345.db2.gz JJANAPHZISKMAD-ABSDTBQOSA-N 1 3 351.535 2.290 20 0 FEADHO C[N@@H+](CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000376239213 558146347 /nfs/dbraw/zinc/14/63/47/558146347.db2.gz JJANAPHZISKMAD-ABSDTBQOSA-N 1 3 351.535 2.290 20 0 FEADHO CN(CCCN(C)CC(=O)N1CCC[C@@H]1c1cccs1)CC[NH+](C)C ZINC000377522720 558356901 /nfs/dbraw/zinc/35/69/01/558356901.db2.gz GICKDPGTZFZAJA-QGZVFWFLSA-N 1 3 366.575 2.227 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(-c2cccnc2)n[nH]1 ZINC000377621289 558378928 /nfs/dbraw/zinc/37/89/28/558378928.db2.gz GAEJDRNZDXSLGO-LJQANCHMSA-N 1 3 356.518 2.320 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(-c2cccnc2)n[nH]1 ZINC000377621289 558378931 /nfs/dbraw/zinc/37/89/31/558378931.db2.gz GAEJDRNZDXSLGO-LJQANCHMSA-N 1 3 356.518 2.320 20 0 FEADHO C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CCN(C2CCOCC2)CC1 ZINC000378352439 558536802 /nfs/dbraw/zinc/53/68/02/558536802.db2.gz UQKOICBECVUDTP-UHFFFAOYSA-N 1 3 355.486 2.343 20 0 FEADHO C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CCN(C2CCOCC2)CC1 ZINC000378352439 558536805 /nfs/dbraw/zinc/53/68/05/558536805.db2.gz UQKOICBECVUDTP-UHFFFAOYSA-N 1 3 355.486 2.343 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390753238 558612053 /nfs/dbraw/zinc/61/20/53/558612053.db2.gz UFAXKAABXZFSSS-VQQMMKBISA-N 1 3 371.525 2.300 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390753238 558612055 /nfs/dbraw/zinc/61/20/55/558612055.db2.gz UFAXKAABXZFSSS-VQQMMKBISA-N 1 3 371.525 2.300 20 0 FEADHO C[C@H](CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]C1 ZINC000391031016 558613087 /nfs/dbraw/zinc/61/30/87/558613087.db2.gz WCCXIPHNUZYVER-HLAWJBBLSA-N 1 3 373.541 2.420 20 0 FEADHO CCOc1cccc([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000525445597 562248288 /nfs/dbraw/zinc/24/82/88/562248288.db2.gz YQLBQQZGAQWASC-INIZCTEOSA-N 1 3 350.507 2.281 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)ccc1C[NH+](C)C ZINC000411194318 558851441 /nfs/dbraw/zinc/85/14/41/558851441.db2.gz PXRBDOCRMSFDRU-QGZVFWFLSA-N 1 3 374.529 2.232 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)ccc1C[NH+](C)C ZINC000411221890 558855782 /nfs/dbraw/zinc/85/57/82/558855782.db2.gz FQSLXHFOGODSBI-IRXDYDNUSA-N 1 3 374.529 2.374 20 0 FEADHO CCN1CCC(NC(=O)CN[C@@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000411556076 558916770 /nfs/dbraw/zinc/91/67/70/558916770.db2.gz XHRLGFUOZATEQN-PKOBYXMFSA-N 1 3 352.567 2.077 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@]2(CO)Cc2ccccc2)CC1 ZINC000411625379 558931464 /nfs/dbraw/zinc/93/14/64/558931464.db2.gz WAZFVWURNGGELL-JOCHJYFZSA-N 1 3 373.541 2.045 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000525883896 562258398 /nfs/dbraw/zinc/25/83/98/562258398.db2.gz HRCNFDDXQGZGFT-UHFFFAOYSA-N 1 3 358.433 2.288 20 0 FEADHO COC(=O)[C@H]1CN(C)CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411918729 558987850 /nfs/dbraw/zinc/98/78/50/558987850.db2.gz PIUKSSCGNVGMOF-FQEVSTJZSA-N 1 3 359.514 2.209 20 0 FEADHO CC(C)C[C@@H](C)n1nccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525890552 562258797 /nfs/dbraw/zinc/25/87/97/562258797.db2.gz BUBKPUZRUCDTKL-MRXNPFEDSA-N 1 3 352.527 2.447 20 0 FEADHO COc1ccc2[nH+]c3c(c(NC[C@H]4CN(C)CCN4C)c2c1)CCCC3 ZINC000413148239 559082675 /nfs/dbraw/zinc/08/26/75/559082675.db2.gz SDSGGVXXDGPRCK-HNNXBMFYSA-N 1 3 354.498 2.202 20 0 FEADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000414184483 559152037 /nfs/dbraw/zinc/15/20/37/559152037.db2.gz NYCGJBUKRPSPJV-JKSUJKDBSA-N 1 3 353.532 2.333 20 0 FEADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000414184483 559152038 /nfs/dbraw/zinc/15/20/38/559152038.db2.gz NYCGJBUKRPSPJV-JKSUJKDBSA-N 1 3 353.532 2.333 20 0 FEADHO COc1cc([C@@H](C)NCC[C@@H]2CCC[N@H+](C)C2)ccc1S(C)(=O)=O ZINC000414189152 559152178 /nfs/dbraw/zinc/15/21/78/559152178.db2.gz RCYPRKFNRZXFTR-CABCVRRESA-N 1 3 354.516 2.481 20 0 FEADHO COc1cc([C@@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)ccc1S(C)(=O)=O ZINC000414189152 559152179 /nfs/dbraw/zinc/15/21/79/559152179.db2.gz RCYPRKFNRZXFTR-CABCVRRESA-N 1 3 354.516 2.481 20 0 FEADHO COc1cc([C@H](C)NCC[C@H]2CCC[N@H+](C)C2)ccc1S(C)(=O)=O ZINC000414189163 559152234 /nfs/dbraw/zinc/15/22/34/559152234.db2.gz RCYPRKFNRZXFTR-LSDHHAIUSA-N 1 3 354.516 2.481 20 0 FEADHO COc1cc([C@H](C)NCC[C@H]2CCC[N@@H+](C)C2)ccc1S(C)(=O)=O ZINC000414189163 559152235 /nfs/dbraw/zinc/15/22/35/559152235.db2.gz RCYPRKFNRZXFTR-LSDHHAIUSA-N 1 3 354.516 2.481 20 0 FEADHO CN1CCC(C[NH2+]Cc2ccc(F)c3cccnc23)(N2CCOCC2)CC1 ZINC000414478690 559167942 /nfs/dbraw/zinc/16/79/42/559167942.db2.gz FUAHIIBBQFOVFJ-UHFFFAOYSA-N 1 3 372.488 2.260 20 0 FEADHO COc1ccccc1/C=C\C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414488506 559168135 /nfs/dbraw/zinc/16/81/35/559168135.db2.gz UKRIHDXHEGVEGP-ALCCZGGFSA-N 1 3 359.514 2.095 20 0 FEADHO C[NH+](C)Cc1ccc(NC2CCN(CCN3CCOCC3)CC2)c(F)c1 ZINC000414495474 559168322 /nfs/dbraw/zinc/16/83/22/559168322.db2.gz HEZMXJZOFFOQBU-UHFFFAOYSA-N 1 3 364.509 2.096 20 0 FEADHO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000414493240 559168493 /nfs/dbraw/zinc/16/84/93/559168493.db2.gz BSEIRLLTNUPTAF-GOSISDBHSA-N 1 3 358.530 2.127 20 0 FEADHO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000414493240 559168494 /nfs/dbraw/zinc/16/84/94/559168494.db2.gz BSEIRLLTNUPTAF-GOSISDBHSA-N 1 3 358.530 2.127 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)c1 ZINC000414660420 559177917 /nfs/dbraw/zinc/17/79/17/559177917.db2.gz OCAWKIZDQBDMNW-UHFFFAOYSA-N 1 3 360.502 2.115 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCc2ccc(CN(C)C)cc2)cc1 ZINC000414662983 559178185 /nfs/dbraw/zinc/17/81/85/559178185.db2.gz QXCPISUEIORSIM-AWEZNQCLSA-N 1 3 354.454 2.023 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCC2)CC(C)C ZINC000414681588 559179264 /nfs/dbraw/zinc/17/92/64/559179264.db2.gz PMXVEDWISHMYIX-IBGZPJMESA-N 1 3 374.529 2.144 20 0 FEADHO C[N@@H+](Cc1ccc(Br)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414684582 559179615 /nfs/dbraw/zinc/17/96/15/559179615.db2.gz WBEQCHPOBKISSK-CQSZACIVSA-N 1 3 354.292 2.078 20 0 FEADHO C[N@H+](Cc1ccc(Br)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414684582 559179616 /nfs/dbraw/zinc/17/96/16/559179616.db2.gz WBEQCHPOBKISSK-CQSZACIVSA-N 1 3 354.292 2.078 20 0 FEADHO CC[NH+](CC)CCN(Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414687418 559179765 /nfs/dbraw/zinc/17/97/65/559179765.db2.gz HIYATSXSYFMZKZ-HXUWFJFHSA-N 1 3 360.546 2.028 20 0 FEADHO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNC2)[NH+]1CCC(C)CC1 ZINC000414695904 559180278 /nfs/dbraw/zinc/18/02/78/559180278.db2.gz GBKQKZMLSUEZNU-IBGZPJMESA-N 1 3 372.513 2.101 20 0 FEADHO Cc1cc(Br)ccc1C[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414749484 559184733 /nfs/dbraw/zinc/18/47/33/559184733.db2.gz WEKVIAROOVHAST-CQSZACIVSA-N 1 3 368.319 2.387 20 0 FEADHO Cc1cc(Br)ccc1C[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414749484 559184734 /nfs/dbraw/zinc/18/47/34/559184734.db2.gz WEKVIAROOVHAST-CQSZACIVSA-N 1 3 368.319 2.387 20 0 FEADHO C[C@@H]1C[C@@H](CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)CC[NH2+]1 ZINC000414750425 559184694 /nfs/dbraw/zinc/18/46/94/559184694.db2.gz QVEXNSGJYFXFCM-CVEARBPZSA-N 1 3 354.516 2.179 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]([C@H](C)[NH3+])C3)c(C)c2)CC1 ZINC000414754310 559185287 /nfs/dbraw/zinc/18/52/87/559185287.db2.gz RTUDZGFEUICSQE-IRXDYDNUSA-N 1 3 359.518 2.338 20 0 FEADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414826640 559189739 /nfs/dbraw/zinc/18/97/39/559189739.db2.gz WEBYLGDLCUPGNE-OAHLLOKOSA-N 1 3 360.502 2.101 20 0 FEADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000414877713 559192370 /nfs/dbraw/zinc/19/23/70/559192370.db2.gz MRYNZLIHMRACIH-GOSISDBHSA-N 1 3 360.502 2.115 20 0 FEADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000414888913 559193362 /nfs/dbraw/zinc/19/33/62/559193362.db2.gz YIEUMGBRNZUVMV-SFHVURJKSA-N 1 3 360.502 2.115 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414960878 559197357 /nfs/dbraw/zinc/19/73/57/559197357.db2.gz YNEWFAJXPRCCBN-HBUWYVDXSA-N 1 3 358.486 2.482 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414960878 559197358 /nfs/dbraw/zinc/19/73/58/559197358.db2.gz YNEWFAJXPRCCBN-HBUWYVDXSA-N 1 3 358.486 2.482 20 0 FEADHO FC(F)(F)[C@@H](CNCc1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000414971388 559197934 /nfs/dbraw/zinc/19/79/34/559197934.db2.gz IIWMGXYHBAPURM-CYBMUJFWSA-N 1 3 366.225 2.375 20 0 FEADHO FC(F)(F)[C@@H](CNCc1c[nH]nc1-c1ccccc1)N1CC[NH2+]CC1 ZINC000414985548 559198807 /nfs/dbraw/zinc/19/88/07/559198807.db2.gz MZLBDTCESABUFV-OAHLLOKOSA-N 1 3 353.392 2.002 20 0 FEADHO CN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000415069588 559203711 /nfs/dbraw/zinc/20/37/11/559203711.db2.gz PDWFIRZVGHRECS-SFHVURJKSA-N 1 3 362.543 2.479 20 0 FEADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415094385 559204751 /nfs/dbraw/zinc/20/47/51/559204751.db2.gz XAOGUEGVCKWRJT-DEYYWGMASA-N 1 3 353.894 2.203 20 0 FEADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1CNC ZINC000415164312 559210802 /nfs/dbraw/zinc/21/08/02/559210802.db2.gz KYMBUATXPYUGJI-MJGOQNOKSA-N 1 3 374.529 2.361 20 0 FEADHO Cc1ccc(NC(=O)NC[C@H]2NC(C)(C)O[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000415198587 559214096 /nfs/dbraw/zinc/21/40/96/559214096.db2.gz COPDBBRDTGQQFC-GOEBONIOSA-N 1 3 364.490 2.170 20 0 FEADHO CCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415228169 559216571 /nfs/dbraw/zinc/21/65/71/559216571.db2.gz XXWBXKMHHRHSDX-MRXNPFEDSA-N 1 3 360.502 2.369 20 0 FEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415240919 559217459 /nfs/dbraw/zinc/21/74/59/559217459.db2.gz ASWNERYROZXLSR-QAPCUYQASA-N 1 3 360.502 2.272 20 0 FEADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000415444215 559237603 /nfs/dbraw/zinc/23/76/03/559237603.db2.gz OGROILXKQGZVRB-AEFFLSMTSA-N 1 3 372.513 2.197 20 0 FEADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000415913952 559282421 /nfs/dbraw/zinc/28/24/21/559282421.db2.gz SQDRZLAERPSVGZ-OAQYLSRUSA-N 1 3 368.481 2.165 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000415958716 559284815 /nfs/dbraw/zinc/28/48/15/559284815.db2.gz RGBZUGDXOLABOX-QGZVFWFLSA-N 1 3 361.534 2.191 20 0 FEADHO COCCN1CC[C@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415972003 559286376 /nfs/dbraw/zinc/28/63/76/559286376.db2.gz OHAOTTRJDUIUBL-ZDUSSCGKSA-N 1 3 360.380 2.006 20 0 FEADHO [NH3+]CC[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000415990998 559287493 /nfs/dbraw/zinc/28/74/93/559287493.db2.gz FAOBTIHBEYLUAN-HNNXBMFYSA-N 1 3 358.408 2.230 20 0 FEADHO CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000416008085 559288831 /nfs/dbraw/zinc/28/88/31/559288831.db2.gz NKSFMXDETAQRIL-LSDHHAIUSA-N 1 3 358.408 2.182 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416029583 559289891 /nfs/dbraw/zinc/28/98/91/559289891.db2.gz LLWHAHFHAKEQBB-SNPRPXQTSA-N 1 3 358.408 2.086 20 0 FEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc2c(s1)CCC2 ZINC000416146284 559294422 /nfs/dbraw/zinc/29/44/22/559294422.db2.gz OKLSLMVVQGTCSM-AWEZNQCLSA-N 1 3 350.532 2.120 20 0 FEADHO [NH3+]CCCOC1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000416783935 559332780 /nfs/dbraw/zinc/33/27/80/559332780.db2.gz IJRVVPKYDUBEHM-HXUWFJFHSA-N 1 3 374.529 2.363 20 0 FEADHO COc1ccc([C@H](CNC(=O)NC2CCC([NH3+])CC2)N2CCCC2)cc1 ZINC000416811151 559333419 /nfs/dbraw/zinc/33/34/19/559333419.db2.gz COAKUNIFXLAZMA-TVPLGVNVSA-N 1 3 360.502 2.401 20 0 FEADHO COc1cccc([C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)N2CCCC2)c1 ZINC000416842787 559334801 /nfs/dbraw/zinc/33/48/01/559334801.db2.gz JZUDEBFONIRLRI-CVEARBPZSA-N 1 3 370.444 2.114 20 0 FEADHO CN(C)Cc1ccc(CNC(=O)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000416883309 559336366 /nfs/dbraw/zinc/33/63/66/559336366.db2.gz JPIILBYSDGTRJD-UHFFFAOYSA-N 1 3 355.486 2.122 20 0 FEADHO COC[C@@]1(CNC(=O)NCc2ccccc2CN2CCCCC2)CCC[NH2+]1 ZINC000416907215 559337645 /nfs/dbraw/zinc/33/76/45/559337645.db2.gz UGWMCWNHEOXIHB-NRFANRHFSA-N 1 3 374.529 2.240 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]1C[NH2+]C)c1cccc(OC)c1 ZINC000416927956 559338887 /nfs/dbraw/zinc/33/88/87/559338887.db2.gz UADZCVXPQRJEBK-PKOBYXMFSA-N 1 3 362.518 2.472 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000416972092 559341034 /nfs/dbraw/zinc/34/10/34/559341034.db2.gz RBXHRSIIJIGAGK-IBGZPJMESA-N 1 3 362.518 2.334 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000416976508 559341478 /nfs/dbraw/zinc/34/14/78/559341478.db2.gz RDMCUFVGVKMMDP-HXUWFJFHSA-N 1 3 374.529 2.301 20 0 FEADHO COC[C@]1(CNC(=O)NC2CCN(Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000416983542 559342038 /nfs/dbraw/zinc/34/20/38/559342038.db2.gz XEFCGVXRRKNVIB-OAQYLSRUSA-N 1 3 374.529 2.027 20 0 FEADHO [NH3+]CC[C@@H]1CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000416985669 559342157 /nfs/dbraw/zinc/34/21/57/559342157.db2.gz YXEDBPAEORADOZ-IBGZPJMESA-N 1 3 358.530 2.464 20 0 FEADHO CC[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000417003766 559343214 /nfs/dbraw/zinc/34/32/14/559343214.db2.gz BWHBLIZERMTQDX-AABGKKOBSA-N 1 3 356.514 2.359 20 0 FEADHO CC[C@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000417007065 559343486 /nfs/dbraw/zinc/34/34/86/559343486.db2.gz GNPIDINTEXARMC-UYAOXDASSA-N 1 3 356.514 2.359 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccsc1 ZINC000417011336 559343591 /nfs/dbraw/zinc/34/35/91/559343591.db2.gz RPRNAYAHSHQACH-DJIMGWMZSA-N 1 3 350.532 2.382 20 0 FEADHO C[NH2+]C[C@@H]1CCCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000417088151 559347157 /nfs/dbraw/zinc/34/71/57/559347157.db2.gz JJTZVLBQFKRAAB-KRWDZBQOSA-N 1 3 358.530 2.464 20 0 FEADHO CC(C)(CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000417086819 559347336 /nfs/dbraw/zinc/34/73/36/559347336.db2.gz GGJAMYCPYBHFCW-OAQYLSRUSA-N 1 3 356.514 2.218 20 0 FEADHO CC(C)(CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000417086818 559347342 /nfs/dbraw/zinc/34/73/42/559347342.db2.gz GGJAMYCPYBHFCW-NRFANRHFSA-N 1 3 356.514 2.218 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417203206 559352842 /nfs/dbraw/zinc/35/28/42/559352842.db2.gz YMNWOFCSRHZBIF-LJQANCHMSA-N 1 3 358.530 2.335 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000417328672 559357736 /nfs/dbraw/zinc/35/77/36/559357736.db2.gz IRGSZSATFRLXBF-RTBURBONSA-N 1 3 374.529 2.334 20 0 FEADHO CC[NH2+][C@H](C)CNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000417331141 559357870 /nfs/dbraw/zinc/35/78/70/559357870.db2.gz LWYRNXYIYMAQCF-MRXNPFEDSA-N 1 3 362.518 2.204 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000417520365 559365913 /nfs/dbraw/zinc/36/59/13/559365913.db2.gz XEJGAJWXTSRTBC-WDSOQIARSA-N 1 3 362.518 2.136 20 0 FEADHO C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@@H](N)c2ccccc2)cc1 ZINC000417527498 559365980 /nfs/dbraw/zinc/36/59/80/559365980.db2.gz OAOHOYCFKMPBOU-HXUWFJFHSA-N 1 3 370.497 2.169 20 0 FEADHO C[NH2+][C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000417604570 559369163 /nfs/dbraw/zinc/36/91/63/559369163.db2.gz CBZOWDIAZYNKOL-INIZCTEOSA-N 1 3 354.564 2.132 20 0 FEADHO CC(C)C[C@H](C[NH3+])NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417632810 559369643 /nfs/dbraw/zinc/36/96/43/559369643.db2.gz XHCINKWDSUJUPL-MRXNPFEDSA-N 1 3 356.580 2.411 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)Cc2ccccc2C1 ZINC000417736988 559374675 /nfs/dbraw/zinc/37/46/75/559374675.db2.gz NHCNGBQRXCZSFF-FQEVSTJZSA-N 1 3 370.541 2.259 20 0 FEADHO CN1CCC[C@@H](CNC(=O)NCC[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000417749879 559375236 /nfs/dbraw/zinc/37/52/36/559375236.db2.gz VUHMUWLCDIMLQM-DZGCQCFKSA-N 1 3 358.408 2.346 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000417829812 559378138 /nfs/dbraw/zinc/37/81/38/559378138.db2.gz GJEQIOFDFOFUEF-LMNJBCLMSA-N 1 3 356.514 2.435 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417833166 559378350 /nfs/dbraw/zinc/37/83/50/559378350.db2.gz UGYRZEFBHBQVDZ-GTAWCEEGSA-N 1 3 356.514 2.148 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417831990 559378411 /nfs/dbraw/zinc/37/84/11/559378411.db2.gz SRKHRQODIYMBOI-MDNKFWRPSA-N 1 3 356.514 2.148 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)CCN1Cc1ccccc1 ZINC000417833508 559378484 /nfs/dbraw/zinc/37/84/84/559378484.db2.gz JLFMRDCHIXHRNL-VNQPRFMTSA-N 1 3 354.445 2.321 20 0 FEADHO CCn1nncc1C[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000417849054 559379126 /nfs/dbraw/zinc/37/91/26/559379126.db2.gz CCFXLTNMVYVSMQ-UHFFFAOYSA-N 1 3 356.518 2.298 20 0 FEADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418111040 559390408 /nfs/dbraw/zinc/39/04/08/559390408.db2.gz XCPOHMGDGRZXAI-PZJWPPBQSA-N 1 3 356.514 2.294 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000418143314 559391774 /nfs/dbraw/zinc/39/17/74/559391774.db2.gz LWKCQEVTYFHTTD-CTNGQTDRSA-N 1 3 356.514 2.292 20 0 FEADHO CO[C@@H]1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)[C@H](C[NH3+])C1 ZINC000418155793 559392231 /nfs/dbraw/zinc/39/22/31/559392231.db2.gz AAGLXQHQQJUFAO-ZWKOTPCHSA-N 1 3 366.550 2.180 20 0 FEADHO CC(C)Cc1ccc([C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000418190863 559393519 /nfs/dbraw/zinc/39/35/19/559393519.db2.gz JWSDESBFXGBQHG-ZCNNSNEGSA-N 1 3 358.530 2.349 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)N(C)C)cc1 ZINC000418210246 559394021 /nfs/dbraw/zinc/39/40/21/559394021.db2.gz SMTUDLQYSOCDML-LZQZEXGQSA-N 1 3 362.518 2.374 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCC[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418216114 559394218 /nfs/dbraw/zinc/39/42/18/559394218.db2.gz YYONNNCOXUOIAT-QFBILLFUSA-N 1 3 362.518 2.375 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2CC[C@](C)(C[NH3+])C2)N(C)C)cc1 ZINC000418229943 559394663 /nfs/dbraw/zinc/39/46/63/559394663.db2.gz ILLXJRBLDPTGOB-SJLPKXTDSA-N 1 3 350.532 2.392 20 0 FEADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000418236820 559395020 /nfs/dbraw/zinc/39/50/20/559395020.db2.gz CAVIFNOWGVPQCZ-OALUTQOASA-N 1 3 356.514 2.435 20 0 FEADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000418240159 559395141 /nfs/dbraw/zinc/39/51/41/559395141.db2.gz IHHPJHRXJALCGV-RTBURBONSA-N 1 3 356.514 2.292 20 0 FEADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCCC[NH2+]C1CC1 ZINC000418300922 559396793 /nfs/dbraw/zinc/39/67/93/559396793.db2.gz OAZXXCATCWUGGD-UHFFFAOYSA-N 1 3 359.518 2.472 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418331057 559397686 /nfs/dbraw/zinc/39/76/86/559397686.db2.gz CIGWBFRDALMUSH-YZGWKJHDSA-N 1 3 373.545 2.466 20 0 FEADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000418335509 559398056 /nfs/dbraw/zinc/39/80/56/559398056.db2.gz HJYTUSVTBLMXJD-RDJZCZTQSA-N 1 3 350.482 2.287 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418350310 559398643 /nfs/dbraw/zinc/39/86/43/559398643.db2.gz QWMXYSLTDHIPBM-HNNXBMFYSA-N 1 3 368.472 2.428 20 0 FEADHO CN(C(=O)NCC[C@H]1CCC[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000418352972 559398702 /nfs/dbraw/zinc/39/87/02/559398702.db2.gz UOCKXLVZWWVMKU-GOSISDBHSA-N 1 3 373.545 2.120 20 0 FEADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000418349900 559398738 /nfs/dbraw/zinc/39/87/38/559398738.db2.gz SLPJIELKYSPMNK-ZBFHGGJFSA-N 1 3 368.472 2.426 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418404392 559400336 /nfs/dbraw/zinc/40/03/36/559400336.db2.gz JHRAFULMFKOZTA-FUHWJXTLSA-N 1 3 350.482 2.416 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418415224 559400839 /nfs/dbraw/zinc/40/08/39/559400839.db2.gz SKWSHODYWPUNOS-CRAIPNDOSA-N 1 3 350.482 2.416 20 0 FEADHO C[C@@H](CCC[NH3+])NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418681396 559411112 /nfs/dbraw/zinc/41/11/12/559411112.db2.gz DEYKATVIRTXTDP-YESZJQIVSA-N 1 3 354.539 2.035 20 0 FEADHO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335965 559481568 /nfs/dbraw/zinc/48/15/68/559481568.db2.gz IHAIPHVXVBEUSO-OAGGEKHMSA-N 1 3 359.470 2.106 20 0 FEADHO COc1ccc([C@H](C[NH3+])CN2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000420366221 559483281 /nfs/dbraw/zinc/48/32/81/559483281.db2.gz FUYACFUYRSHQNZ-MBOZVWFJSA-N 1 3 357.498 2.213 20 0 FEADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000420366221 559483282 /nfs/dbraw/zinc/48/32/82/559483282.db2.gz FUYACFUYRSHQNZ-MBOZVWFJSA-N 1 3 357.498 2.213 20 0 FEADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000420366221 559483283 /nfs/dbraw/zinc/48/32/83/559483283.db2.gz FUYACFUYRSHQNZ-MBOZVWFJSA-N 1 3 357.498 2.213 20 0 FEADHO CC(=O)c1ccc(NC(=O)CCN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000420377040 559483883 /nfs/dbraw/zinc/48/38/83/559483883.db2.gz KNGJFYDHBUCGMJ-PZJWPPBQSA-N 1 3 373.497 2.436 20 0 FEADHO O=C1N[C@@H]2CN([C@H]3CCCc4ccccc43)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420399582 559485567 /nfs/dbraw/zinc/48/55/67/559485567.db2.gz HXYLTHHFBQJFCU-AABGKKOBSA-N 1 3 354.498 2.284 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3cn(C)nc3C(F)F)CC2)CC1 ZINC000420974739 559515710 /nfs/dbraw/zinc/51/57/10/559515710.db2.gz DYODNFSZQZBNKI-UHFFFAOYSA-N 1 3 355.477 2.350 20 0 FEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422952393 559612836 /nfs/dbraw/zinc/61/28/36/559612836.db2.gz AXSWXUSDKZCATL-UKRRQHHQSA-N 1 3 354.292 2.286 20 0 FEADHO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N2CCOCC2)o1 ZINC000422799648 559606913 /nfs/dbraw/zinc/60/69/13/559606913.db2.gz XURDTPXGPNBOEU-KXBFYZLASA-N 1 3 358.486 2.474 20 0 FEADHO C[C@@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000422804781 559607077 /nfs/dbraw/zinc/60/70/77/559607077.db2.gz FQFCJKOZDDEYKB-JDYRRTIPSA-N 1 3 361.530 2.138 20 0 FEADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422912021 559611009 /nfs/dbraw/zinc/61/10/09/559611009.db2.gz MDGBIBLOQYLBRG-UYAOXDASSA-N 1 3 358.530 2.093 20 0 FEADHO CN(C)CCNC(=O)c1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422910383 559611055 /nfs/dbraw/zinc/61/10/55/559611055.db2.gz HZCTZNSLFSLRCL-PCCBWWKXSA-N 1 3 372.557 2.378 20 0 FEADHO [NH3+]C[C@H]1CCCC[C@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000422952393 559612835 /nfs/dbraw/zinc/61/28/35/559612835.db2.gz AXSWXUSDKZCATL-UKRRQHHQSA-N 1 3 354.292 2.286 20 0 FEADHO COc1cc(-c2noc(CCCCC[NH2+][C@H](C)C3CNC3)n2)ccc1O ZINC000422986202 559614008 /nfs/dbraw/zinc/61/40/08/559614008.db2.gz GRPDDLHUQRRRSM-CYBMUJFWSA-N 1 3 360.458 2.361 20 0 FEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1cnc(SC2CCCC2)nc1 ZINC000423136336 559620477 /nfs/dbraw/zinc/62/04/77/559620477.db2.gz PCXYSDMVTVARJV-IAOVAPTHSA-N 1 3 350.532 2.396 20 0 FEADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423136336 559620478 /nfs/dbraw/zinc/62/04/78/559620478.db2.gz PCXYSDMVTVARJV-IAOVAPTHSA-N 1 3 350.532 2.396 20 0 FEADHO COc1ccc(C[C@H](CO)CN[C@@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000423162777 559621483 /nfs/dbraw/zinc/62/14/83/559621483.db2.gz QBSACRDHHOIYTB-DYEKYZERSA-N 1 3 359.308 2.324 20 0 FEADHO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)C[C@@H](C)N)cc1Br ZINC000423162777 559621484 /nfs/dbraw/zinc/62/14/84/559621484.db2.gz QBSACRDHHOIYTB-DYEKYZERSA-N 1 3 359.308 2.324 20 0 FEADHO [NH3+]CCCCn1cc(C(=O)Nc2cccc(CN3CCCCC3)c2)nn1 ZINC000423332138 559625841 /nfs/dbraw/zinc/62/58/41/559625841.db2.gz OZQJSAYSADPCOZ-UHFFFAOYSA-N 1 3 356.474 2.255 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000423838467 559642021 /nfs/dbraw/zinc/64/20/21/559642021.db2.gz CGDBLZVHBCJEAW-UZLBHIALSA-N 1 3 352.482 2.466 20 0 FEADHO CC[C@@H](C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1)N(CC)CC ZINC000424007649 559650663 /nfs/dbraw/zinc/65/06/63/559650663.db2.gz VPYOYVYXDZQMQD-SFHVURJKSA-N 1 3 362.518 2.030 20 0 FEADHO C[C@H]1CC2(CN1CCCOc1ccc(S(C)(=O)=O)cc1)CC[NH2+]CC2 ZINC000424286674 559660590 /nfs/dbraw/zinc/66/05/90/559660590.db2.gz HRKNSNRNSRVWJT-INIZCTEOSA-N 1 3 366.527 2.323 20 0 FEADHO COCCOc1cc2c(cc1CN1CC3(C[C@@H]1C)CC[NH2+]CC3)OCO2 ZINC000424388992 559662588 /nfs/dbraw/zinc/66/25/88/559662588.db2.gz ZTDHTEGDXFEVGH-HNNXBMFYSA-N 1 3 362.470 2.405 20 0 FEADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424443057 559665176 /nfs/dbraw/zinc/66/51/76/559665176.db2.gz BCATURMLQPWEON-GOSISDBHSA-N 1 3 360.502 2.163 20 0 FEADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCN3CCN(c4ccccc4)CC3)[C@@H]2C1 ZINC000425057197 559685493 /nfs/dbraw/zinc/68/54/93/559685493.db2.gz MGYHSPABXYEAEO-PZJWPPBQSA-N 1 3 370.541 2.141 20 0 FEADHO C[N@H+]1C[C@@H]2CCCN(C(=O)CCCN3CCN(c4ccccc4)CC3)[C@@H]2C1 ZINC000425057197 559685494 /nfs/dbraw/zinc/68/54/94/559685494.db2.gz MGYHSPABXYEAEO-PZJWPPBQSA-N 1 3 370.541 2.141 20 0 FEADHO COC(=O)[C@H](CC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000425413846 559701045 /nfs/dbraw/zinc/70/10/45/559701045.db2.gz CAIRLBQDZFKSFC-NRSPTQNISA-N 1 3 373.541 2.291 20 0 FEADHO COC(=O)[C@H](CC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000425413846 559701046 /nfs/dbraw/zinc/70/10/46/559701046.db2.gz CAIRLBQDZFKSFC-NRSPTQNISA-N 1 3 373.541 2.291 20 0 FEADHO COC(=O)[C@H](CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000425413846 559701047 /nfs/dbraw/zinc/70/10/47/559701047.db2.gz CAIRLBQDZFKSFC-NRSPTQNISA-N 1 3 373.541 2.291 20 0 FEADHO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)[C@H]2CCCN2C2CC2)[C@@H]1c1cnn(C)c1 ZINC000427490093 559756529 /nfs/dbraw/zinc/75/65/29/559756529.db2.gz GXBHMMOHEYPIDQ-PWIZWCRZSA-N 1 3 373.545 2.278 20 0 FEADHO CC[N@H+]1CCC[C@@H](CN(C)C(=O)[C@H]2CCCN2C2CC2)[C@@H]1c1cnn(C)c1 ZINC000427490093 559756530 /nfs/dbraw/zinc/75/65/30/559756530.db2.gz GXBHMMOHEYPIDQ-PWIZWCRZSA-N 1 3 373.545 2.278 20 0 FEADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000428119438 559770077 /nfs/dbraw/zinc/77/00/77/559770077.db2.gz OLXLZZAJRJTENV-UYAOXDASSA-N 1 3 358.530 2.317 20 0 FEADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000430930740 559830526 /nfs/dbraw/zinc/83/05/26/559830526.db2.gz YIDHGMMRWZOZPK-AWEZNQCLSA-N 1 3 351.466 2.113 20 0 FEADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000430941080 559831016 /nfs/dbraw/zinc/83/10/16/559831016.db2.gz UAVPUUUQPAJTQM-QAPCUYQASA-N 1 3 373.497 2.181 20 0 FEADHO CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431015795 559832469 /nfs/dbraw/zinc/83/24/69/559832469.db2.gz XBBVKCMUUXIGEY-UHFFFAOYSA-N 1 3 367.440 2.322 20 0 FEADHO CN(C)CCn1ncc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1-c1ccccc1 ZINC000431796776 559846164 /nfs/dbraw/zinc/84/61/64/559846164.db2.gz LVCAAKRUFSYIJP-KRWDZBQOSA-N 1 3 369.513 2.135 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433269454 559875248 /nfs/dbraw/zinc/87/52/48/559875248.db2.gz BLECLWGUVVSPTR-CEXWTWQISA-N 1 3 368.566 2.155 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433269454 559875249 /nfs/dbraw/zinc/87/52/49/559875249.db2.gz BLECLWGUVVSPTR-CEXWTWQISA-N 1 3 368.566 2.155 20 0 FEADHO CCN1CCN(CCCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000433350754 559877965 /nfs/dbraw/zinc/87/79/65/559877965.db2.gz COBUTMXUVRBJDV-HXUWFJFHSA-N 1 3 360.546 2.213 20 0 FEADHO C[C@@H](CCNC(=O)NCCCN1CCCO[C@H](C)C1)[NH+]1CCCCC1 ZINC000433409422 559880483 /nfs/dbraw/zinc/88/04/83/559880483.db2.gz HHLZFBWVTALVMU-ZWKOTPCHSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N2CCC(CCC[NH+](C)C)CC2)CCCO1 ZINC000433454655 559881687 /nfs/dbraw/zinc/88/16/87/559881687.db2.gz GIRHVTLSXAZAMU-SFHVURJKSA-N 1 3 368.566 2.251 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC000433451646 559881753 /nfs/dbraw/zinc/88/17/53/559881753.db2.gz RLAMYJJKQAIHOB-QZTJIDSGSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCCO1 ZINC000433451646 559881754 /nfs/dbraw/zinc/88/17/54/559881754.db2.gz RLAMYJJKQAIHOB-QZTJIDSGSA-N 1 3 354.539 2.003 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCN2CCCO[C@H](C)C2)C[C@@H]1C ZINC000433463033 559882126 /nfs/dbraw/zinc/88/21/26/559882126.db2.gz NLQCWLURYZVTEY-KSZLIROESA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCCN2CCCO[C@H](C)C2)C[C@@H]1C ZINC000433463033 559882127 /nfs/dbraw/zinc/88/21/27/559882127.db2.gz NLQCWLURYZVTEY-KSZLIROESA-N 1 3 354.539 2.002 20 0 FEADHO CCC[NH+]1CCC(CNCc2c(C)nn(CC(=O)OCC)c2C)CC1 ZINC000438221226 559975850 /nfs/dbraw/zinc/97/58/50/559975850.db2.gz WMQFWKJXHVOWCJ-UHFFFAOYSA-N 1 3 350.507 2.275 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CN1C1CC1 ZINC000441078803 560023035 /nfs/dbraw/zinc/02/30/35/560023035.db2.gz XIQDFQQYCAJNGZ-QAPCUYQASA-N 1 3 356.514 2.010 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC[C@@H]1OC ZINC000442838170 560059160 /nfs/dbraw/zinc/05/91/60/560059160.db2.gz RVYOAZXAPSFGAS-BZSNNMDCSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC[C@@H]1OC ZINC000442838170 560059161 /nfs/dbraw/zinc/05/91/61/560059161.db2.gz RVYOAZXAPSFGAS-BZSNNMDCSA-N 1 3 354.539 2.002 20 0 FEADHO COc1cc(C)c([C@H](C)NC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000443074383 560069435 /nfs/dbraw/zinc/06/94/35/560069435.db2.gz QRLFBFOZGGRYQG-JKSUJKDBSA-N 1 3 363.502 2.250 20 0 FEADHO C[N@@H+]1CCCN(CCCNCc2ncc(Br)cc2F)CC1 ZINC000527652556 562298860 /nfs/dbraw/zinc/29/88/60/562298860.db2.gz FNVDICLXNVEHEV-UHFFFAOYSA-N 1 3 359.287 2.100 20 0 FEADHO C[N@H+]1CCCN(CCCNCc2ncc(Br)cc2F)CC1 ZINC000527652556 562298861 /nfs/dbraw/zinc/29/88/61/562298861.db2.gz FNVDICLXNVEHEV-UHFFFAOYSA-N 1 3 359.287 2.100 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2CCN(C)C)C[C@H]1C ZINC000446049506 560138521 /nfs/dbraw/zinc/13/85/21/560138521.db2.gz AYFUHJWDFFROFA-AEFFLSMTSA-N 1 3 374.529 2.060 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2CCN(C)C)C[C@H]1C ZINC000446049506 560138522 /nfs/dbraw/zinc/13/85/22/560138522.db2.gz AYFUHJWDFFROFA-AEFFLSMTSA-N 1 3 374.529 2.060 20 0 FEADHO C[NH+](C)CCOc1cccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000446264754 560142922 /nfs/dbraw/zinc/14/29/22/560142922.db2.gz LQNKPKWIJYGOKI-MBOZVWFJSA-N 1 3 361.486 2.098 20 0 FEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000448255160 560181778 /nfs/dbraw/zinc/18/17/78/560181778.db2.gz IDIIYIMUGZYVPD-MSOLQXFVSA-N 1 3 350.551 2.480 20 0 FEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000448255160 560181779 /nfs/dbraw/zinc/18/17/79/560181779.db2.gz IDIIYIMUGZYVPD-MSOLQXFVSA-N 1 3 350.551 2.480 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnn(-c3ccc(OC)cc3)c2)CC1 ZINC000449130689 560217116 /nfs/dbraw/zinc/21/71/16/560217116.db2.gz HHNSYKNSZCKGPI-SFHVURJKSA-N 1 3 371.529 2.244 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCCN2CCCO)CC1 ZINC000449389742 560228139 /nfs/dbraw/zinc/22/81/39/560228139.db2.gz TXQYUPRZFPOWNS-OAQYLSRUSA-N 1 3 374.573 2.155 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(F)(F)F ZINC000449724085 560238329 /nfs/dbraw/zinc/23/83/29/560238329.db2.gz GPAAMMLOTYBYHU-UKRRQHHQSA-N 1 3 361.383 2.434 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCc1ncc(C)o1 ZINC000449823792 560241430 /nfs/dbraw/zinc/24/14/30/560241430.db2.gz KBLNLCUPYMZRAF-QGZVFWFLSA-N 1 3 350.507 2.180 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCc1ncc(C)o1 ZINC000449823792 560241431 /nfs/dbraw/zinc/24/14/31/560241431.db2.gz KBLNLCUPYMZRAF-QGZVFWFLSA-N 1 3 350.507 2.180 20 0 FEADHO CC(C)N1CCCC[C@H]1C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000450550994 560265979 /nfs/dbraw/zinc/26/59/79/560265979.db2.gz CNIWTMURBLCISB-FQEVSTJZSA-N 1 3 364.578 2.125 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000451805469 560329770 /nfs/dbraw/zinc/32/97/70/560329770.db2.gz BGOTZORYIHAKDN-LJQANCHMSA-N 1 3 359.514 2.044 20 0 FEADHO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000453071055 560382708 /nfs/dbraw/zinc/38/27/08/560382708.db2.gz QFGHPYIVTCXEJF-NRFANRHFSA-N 1 3 355.530 2.445 20 0 FEADHO CC1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000453598805 560390378 /nfs/dbraw/zinc/39/03/78/560390378.db2.gz MKOKNRXWCGASQB-LJQANCHMSA-N 1 3 372.513 2.022 20 0 FEADHO CN(C)CCn1ccc(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)n1 ZINC000455873386 560498578 /nfs/dbraw/zinc/49/85/78/560498578.db2.gz ZPGZDKOWLMOEFD-KRWDZBQOSA-N 1 3 356.474 2.638 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000457125324 560551094 /nfs/dbraw/zinc/55/10/94/560551094.db2.gz QMDSJBOAKAPBQP-HXUWFJFHSA-N 1 3 358.530 2.383 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)cc2)CC1 ZINC000457125324 560551096 /nfs/dbraw/zinc/55/10/96/560551096.db2.gz QMDSJBOAKAPBQP-HXUWFJFHSA-N 1 3 358.530 2.383 20 0 FEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000457789248 560587937 /nfs/dbraw/zinc/58/79/37/560587937.db2.gz DGTWNLAAEPFXPY-KRWDZBQOSA-N 1 3 368.591 2.472 20 0 FEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000457789248 560587938 /nfs/dbraw/zinc/58/79/38/560587938.db2.gz DGTWNLAAEPFXPY-KRWDZBQOSA-N 1 3 368.591 2.472 20 0 FEADHO CCOC[C@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000458107452 560603424 /nfs/dbraw/zinc/60/34/24/560603424.db2.gz DGLAJXLASANJJT-LJQANCHMSA-N 1 3 366.550 2.146 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000458562008 560632714 /nfs/dbraw/zinc/63/27/14/560632714.db2.gz CTCNQQTUEUGFMO-QZTJIDSGSA-N 1 3 350.551 2.480 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000458562008 560632715 /nfs/dbraw/zinc/63/27/15/560632715.db2.gz CTCNQQTUEUGFMO-QZTJIDSGSA-N 1 3 350.551 2.480 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000459152941 560670749 /nfs/dbraw/zinc/67/07/49/560670749.db2.gz JHEOZIMQVZBDGZ-IBGZPJMESA-N 1 3 373.545 2.419 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000459152941 560670750 /nfs/dbraw/zinc/67/07/50/560670750.db2.gz JHEOZIMQVZBDGZ-IBGZPJMESA-N 1 3 373.545 2.419 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000459285662 560677687 /nfs/dbraw/zinc/67/76/87/560677687.db2.gz FDHQQNHJWHYWEO-QUCCMNQESA-N 1 3 373.545 2.277 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459285662 560677688 /nfs/dbraw/zinc/67/76/88/560677688.db2.gz FDHQQNHJWHYWEO-QUCCMNQESA-N 1 3 373.545 2.277 20 0 FEADHO CC[N@H+](CCC1CCN(CCN2C(=O)N[C@@H](C)C2=O)CC1)CC(C)C ZINC000459472945 560688308 /nfs/dbraw/zinc/68/83/08/560688308.db2.gz OYMRFHDEPYJGRG-INIZCTEOSA-N 1 3 352.523 2.007 20 0 FEADHO CC[N@@H+](CCC1CCN(CCN2C(=O)N[C@@H](C)C2=O)CC1)CC(C)C ZINC000459472945 560688309 /nfs/dbraw/zinc/68/83/09/560688309.db2.gz OYMRFHDEPYJGRG-INIZCTEOSA-N 1 3 352.523 2.007 20 0 FEADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C(=O)NCCc1ccccc1 ZINC000459562442 560694450 /nfs/dbraw/zinc/69/44/50/560694450.db2.gz CPCCTJCAWICWLR-KRWDZBQOSA-N 1 3 352.482 2.387 20 0 FEADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CCCN1CCOC ZINC000460273917 560740253 /nfs/dbraw/zinc/74/02/53/560740253.db2.gz FSOCWOBBHRJBGL-LJQANCHMSA-N 1 3 368.566 2.395 20 0 FEADHO C[C@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000461883477 560786212 /nfs/dbraw/zinc/78/62/12/560786212.db2.gz JKDBKFKZVATNRW-HXUWFJFHSA-N 1 3 372.557 2.437 20 0 FEADHO CCC[NH+]1CCC(NC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000462049453 560794142 /nfs/dbraw/zinc/79/41/42/560794142.db2.gz OACWUKIGSCXFJZ-UHFFFAOYSA-N 1 3 358.530 2.189 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H]3C[NH+](C)C)CC2)c1 ZINC000464918688 560854998 /nfs/dbraw/zinc/85/49/98/560854998.db2.gz GPXCPVRJJWDIGD-FQEVSTJZSA-N 1 3 358.530 2.060 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)CC1 ZINC000465005180 560856731 /nfs/dbraw/zinc/85/67/31/560856731.db2.gz DIRIIQPTLATXMA-MJGOQNOKSA-N 1 3 368.566 2.248 20 0 FEADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000465751062 560872131 /nfs/dbraw/zinc/87/21/31/560872131.db2.gz IRHMJLFJOYGZJI-HOJAQTOUSA-N 1 3 354.498 2.478 20 0 FEADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000465751062 560872133 /nfs/dbraw/zinc/87/21/33/560872133.db2.gz IRHMJLFJOYGZJI-HOJAQTOUSA-N 1 3 354.498 2.478 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)Cc2ccccc2C1 ZINC000466003121 560877793 /nfs/dbraw/zinc/87/77/93/560877793.db2.gz DJGRFMLFIXYTJI-HXUWFJFHSA-N 1 3 370.541 2.355 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000466033311 560878475 /nfs/dbraw/zinc/87/84/75/560878475.db2.gz BWSTYUAIYXWYNQ-IAGOWNOFSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000466795093 560896022 /nfs/dbraw/zinc/89/60/22/560896022.db2.gz IOLIJHAVTFANMD-PXNSSMCTSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000466795093 560896023 /nfs/dbraw/zinc/89/60/23/560896023.db2.gz IOLIJHAVTFANMD-PXNSSMCTSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000467708307 560915266 /nfs/dbraw/zinc/91/52/66/560915266.db2.gz DBCQSBNIWMPZSH-RXVVDRJESA-N 1 3 370.541 2.188 20 0 FEADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000467708307 560915267 /nfs/dbraw/zinc/91/52/67/560915267.db2.gz DBCQSBNIWMPZSH-RXVVDRJESA-N 1 3 370.541 2.188 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470230729 560977103 /nfs/dbraw/zinc/97/71/03/560977103.db2.gz OATYKYWKOVIMIQ-SFHVURJKSA-N 1 3 359.514 2.431 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470230729 560977104 /nfs/dbraw/zinc/97/71/04/560977104.db2.gz OATYKYWKOVIMIQ-SFHVURJKSA-N 1 3 359.514 2.431 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000470738120 560988324 /nfs/dbraw/zinc/98/83/24/560988324.db2.gz SVSWHLKKXFXTDU-VQTJNVASSA-N 1 3 358.530 2.287 20 0 FEADHO COCCN1CC[C@H](NC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470890538 560992889 /nfs/dbraw/zinc/99/28/89/560992889.db2.gz CMARESFBBNEPKM-VQTJNVASSA-N 1 3 374.529 2.013 20 0 FEADHO COCCN1CC[C@H](NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470890538 560992890 /nfs/dbraw/zinc/99/28/90/560992890.db2.gz CMARESFBBNEPKM-VQTJNVASSA-N 1 3 374.529 2.013 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000472987838 561039536 /nfs/dbraw/zinc/03/95/36/561039536.db2.gz GFJKDXWGKIVNAE-MSOLQXFVSA-N 1 3 354.539 2.003 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000474306854 561070730 /nfs/dbraw/zinc/07/07/30/561070730.db2.gz FELGNECHLGUHKB-UHFFFAOYSA-N 1 3 367.493 2.245 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(=O)OC)[C@@H](C)C2)CC1 ZINC000475362847 561095693 /nfs/dbraw/zinc/09/56/93/561095693.db2.gz PCHTXSAIFVKZOI-HKUYNNGSSA-N 1 3 359.514 2.460 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C(=O)OC)[C@@H](C)C2)CC1 ZINC000475362847 561095694 /nfs/dbraw/zinc/09/56/94/561095694.db2.gz PCHTXSAIFVKZOI-HKUYNNGSSA-N 1 3 359.514 2.460 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCCN(C(C)=O)C2)CC1 ZINC000475438460 561097149 /nfs/dbraw/zinc/09/71/49/561097149.db2.gz ODAHIKOHZDRYSD-LJQANCHMSA-N 1 3 358.530 2.177 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cnnc2ccccc21 ZINC000528338034 562323499 /nfs/dbraw/zinc/32/34/99/562323499.db2.gz UIYZIWXMNZXVNV-INIZCTEOSA-N 1 3 355.486 2.118 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cnnc2ccccc21 ZINC000528338034 562323500 /nfs/dbraw/zinc/32/35/00/562323500.db2.gz UIYZIWXMNZXVNV-INIZCTEOSA-N 1 3 355.486 2.118 20 0 FEADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529306121 562368321 /nfs/dbraw/zinc/36/83/21/562368321.db2.gz ARFYDQUAVHZCAY-OALUTQOASA-N 1 3 366.550 2.051 20 0 FEADHO CC(C)[C@@H]1CNCCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000529318321 562369005 /nfs/dbraw/zinc/36/90/05/562369005.db2.gz SIKAXUJZXCOKMU-LPHOPBHVSA-N 1 3 359.518 2.246 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCN(CCOC)C2)CC1 ZINC000532294646 562473082 /nfs/dbraw/zinc/47/30/82/562473082.db2.gz JZZOGZRYXLTBRT-FQEVSTJZSA-N 1 3 360.546 2.029 20 0 FEADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000533047857 562496745 /nfs/dbraw/zinc/49/67/45/562496745.db2.gz RXKNSMJQETVIHL-VQTJNVASSA-N 1 3 362.562 2.020 20 0 FEADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000533047857 562496746 /nfs/dbraw/zinc/49/67/46/562496746.db2.gz RXKNSMJQETVIHL-VQTJNVASSA-N 1 3 362.562 2.020 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)[C@@H](C)C1 ZINC000536854541 562581483 /nfs/dbraw/zinc/58/14/83/562581483.db2.gz XRDCRBBRRLLRND-WJMWBRGCSA-N 1 3 367.578 2.091 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C)CC[S@](C)=O)CC1 ZINC000537324259 562589511 /nfs/dbraw/zinc/58/95/11/562589511.db2.gz UTPYXRIRTUIGLP-OSPHWJPCSA-N 1 3 351.560 2.465 20 0 FEADHO CCC(CC)[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000540922372 562597003 /nfs/dbraw/zinc/59/70/03/562597003.db2.gz WSZWIXFIYIDVJA-ZWKOTPCHSA-N 1 3 356.555 2.105 20 0 FEADHO CN1CCN(CC2(C)CC[NH+](C[C@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000549930124 562641204 /nfs/dbraw/zinc/64/12/04/562641204.db2.gz LNHNIECCTFXPDA-HXUWFJFHSA-N 1 3 363.521 2.079 20 0 FEADHO CN(C)C[C@@H](NC(=S)NCC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000806594772 674382459 /nfs/dbraw/zinc/38/24/59/674382459.db2.gz QNOKQZOOTOIZRM-QGZVFWFLSA-N 1 3 352.523 2.234 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000806595451 674382490 /nfs/dbraw/zinc/38/24/90/674382490.db2.gz ULFDXPGTDQKZQO-SJORKVTESA-N 1 3 352.523 2.377 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000806595451 674382491 /nfs/dbraw/zinc/38/24/91/674382491.db2.gz ULFDXPGTDQKZQO-SJORKVTESA-N 1 3 352.523 2.377 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000806595310 674382543 /nfs/dbraw/zinc/38/25/43/674382543.db2.gz ULFDXPGTDQKZQO-IAGOWNOFSA-N 1 3 352.523 2.377 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000806595310 674382544 /nfs/dbraw/zinc/38/25/44/674382544.db2.gz ULFDXPGTDQKZQO-IAGOWNOFSA-N 1 3 352.523 2.377 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=S)NCCC[NH+](C)C)N(C)C)cc1 ZINC000806599430 674382960 /nfs/dbraw/zinc/38/29/60/674382960.db2.gz RWWIZLIMEJGMRS-SFHVURJKSA-N 1 3 366.575 2.492 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000563091525 568092376 /nfs/dbraw/zinc/09/23/76/568092376.db2.gz CEXWRAXRWSRCQX-HXUWFJFHSA-N 1 3 374.529 2.144 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000604172912 568221375 /nfs/dbraw/zinc/22/13/75/568221375.db2.gz ZAGDQSJDIMJAPJ-GOSISDBHSA-N 1 3 368.566 2.251 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000604172912 568221376 /nfs/dbraw/zinc/22/13/76/568221376.db2.gz ZAGDQSJDIMJAPJ-GOSISDBHSA-N 1 3 368.566 2.251 20 0 FEADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000604185676 568222675 /nfs/dbraw/zinc/22/26/75/568222675.db2.gz SXTSMRWKOUGSLV-HZPDHXFCSA-N 1 3 362.543 2.496 20 0 FEADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000604185676 568222676 /nfs/dbraw/zinc/22/26/76/568222676.db2.gz SXTSMRWKOUGSLV-HZPDHXFCSA-N 1 3 362.543 2.496 20 0 FEADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000604604992 568323733 /nfs/dbraw/zinc/32/37/33/568323733.db2.gz KGWFGNNEIGYHOO-HXUWFJFHSA-N 1 3 372.557 2.389 20 0 FEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000604604992 568323734 /nfs/dbraw/zinc/32/37/34/568323734.db2.gz KGWFGNNEIGYHOO-HXUWFJFHSA-N 1 3 372.557 2.389 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3nc(C)cs3)CC2)CC1 ZINC000561089019 674635931 /nfs/dbraw/zinc/63/59/31/674635931.db2.gz HZZZMTXNBBPBSI-UHFFFAOYSA-N 1 3 350.532 2.264 20 0 FEADHO CCC[C@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCO1 ZINC000561309387 674655218 /nfs/dbraw/zinc/65/52/18/674655218.db2.gz HMDLTNFZXXNCQZ-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(C)CCOCC3)CC2)CC1 ZINC000570651620 670746564 /nfs/dbraw/zinc/74/65/64/670746564.db2.gz PORUTXUUWBXTTA-UHFFFAOYSA-N 1 3 351.535 2.116 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@@H](OC)C3(C)C)CC2)CC1 ZINC000574290166 671223404 /nfs/dbraw/zinc/22/34/04/671223404.db2.gz NVUVOMUUXACZIJ-ZWKOTPCHSA-N 1 3 351.535 2.112 20 0 FEADHO [NH3+]C[C@H]1CCCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000577363525 671590801 /nfs/dbraw/zinc/59/08/01/671590801.db2.gz OQBBUFHSSDRKPT-QGZVFWFLSA-N 1 3 362.543 2.481 20 0 FEADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCC1(F)F ZINC000582393358 671997330 /nfs/dbraw/zinc/99/73/30/671997330.db2.gz ZMCLEEBAUUFTRY-CQSZACIVSA-N 1 3 358.477 2.232 20 0 FEADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCOc1ccc(Cl)cc1 ZINC000583203716 672073364 /nfs/dbraw/zinc/07/33/64/672073364.db2.gz HIEKEZOILNWREO-CVEARBPZSA-N 1 3 365.905 2.157 20 0 FEADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000583921352 672139171 /nfs/dbraw/zinc/13/91/71/672139171.db2.gz QYVSZBWGUZQXJW-WSYDAFBYSA-N 1 3 362.440 2.218 20 0 FEADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000591727357 672705156 /nfs/dbraw/zinc/70/51/56/672705156.db2.gz CAMAKHWNCULSBV-HNNXBMFYSA-N 1 3 368.319 2.291 20 0 FEADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591727357 672705158 /nfs/dbraw/zinc/70/51/58/672705158.db2.gz CAMAKHWNCULSBV-HNNXBMFYSA-N 1 3 368.319 2.291 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CN1Cc1ccccc1 ZINC000397980571 673164251 /nfs/dbraw/zinc/16/42/51/673164251.db2.gz MGNYITOEAGTPQN-FRFSOERESA-N 1 3 355.404 2.308 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418578406 673191922 /nfs/dbraw/zinc/19/19/22/673191922.db2.gz IZQCFAIXQGAZIA-HUUCEWRRSA-N 1 3 354.445 2.308 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(S(C)(=O)=O)c2)C[C@@H](C)O1 ZINC000449104999 673231023 /nfs/dbraw/zinc/23/10/23/673231023.db2.gz XRDATBUQPVBMDB-HZPDHXFCSA-N 1 3 354.516 2.069 20 0 FEADHO COC(=O)c1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)n(C)c1C ZINC000462785450 673282965 /nfs/dbraw/zinc/28/29/65/673282965.db2.gz MWAWSXZJAYBYQW-GJZGRUSLSA-N 1 3 351.491 2.099 20 0 FEADHO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000547487361 673856166 /nfs/dbraw/zinc/85/61/66/673856166.db2.gz OMOBMMHAMQTYJL-UHFFFAOYSA-N 1 3 365.952 2.048 20 0 FEADHO C[N@H+](CCC(=O)N1CCN(CC2CCOCC2)CC1)C1CCCCC1 ZINC000548717045 673989765 /nfs/dbraw/zinc/98/97/65/673989765.db2.gz HERJCSQTCNWMJN-UHFFFAOYSA-N 1 3 351.535 2.212 20 0 FEADHO C[N@@H+](CCC(=O)N1CCN(CC2CCOCC2)CC1)C1CCCCC1 ZINC000548717045 673989766 /nfs/dbraw/zinc/98/97/66/673989766.db2.gz HERJCSQTCNWMJN-UHFFFAOYSA-N 1 3 351.535 2.212 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCO[C@@H](C)C3)CC2)CC1 ZINC000566450478 675215221 /nfs/dbraw/zinc/21/52/21/675215221.db2.gz GXUBBBQNYRRFTN-DLBZAZTESA-N 1 3 351.535 2.114 20 0 FEADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819043676 675255251 /nfs/dbraw/zinc/25/52/51/675255251.db2.gz TZPYWNIGWRHGQJ-QGZVFWFLSA-N 1 3 371.884 2.045 20 0 FEADHO COCCN1[C@H](C)CN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C[C@@H]1C ZINC000825714076 675665197 /nfs/dbraw/zinc/66/51/97/675665197.db2.gz DPBOBLVJEUZGHV-HLLBOEOZSA-N 1 3 368.547 2.101 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(C(=O)[C@@H](OC)C3CCCC3)CC2)CC1 ZINC000616381470 676248267 /nfs/dbraw/zinc/24/82/67/676248267.db2.gz RJVSKIYRONRDIA-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO CCN1CCC([N@H+]2CCCN(C(=O)[C@@H](OC)C3CCCC3)CC2)CC1 ZINC000616381470 676248269 /nfs/dbraw/zinc/24/82/69/676248269.db2.gz RJVSKIYRONRDIA-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000622186112 676495833 /nfs/dbraw/zinc/49/58/33/676495833.db2.gz ZLYOFXAJDACARA-ZWKOTPCHSA-N 1 3 351.535 2.353 20 0 FEADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000622186112 676495836 /nfs/dbraw/zinc/49/58/36/676495836.db2.gz ZLYOFXAJDACARA-ZWKOTPCHSA-N 1 3 351.535 2.353 20 0 FEADHO CN(CCCN(C)C(=O)NC[C@@H]1CCCC[N@H+](C)C1)Cc1ccco1 ZINC000624610890 676587333 /nfs/dbraw/zinc/58/73/33/676587333.db2.gz CZJUWSARLQUJGQ-KRWDZBQOSA-N 1 3 350.507 2.475 20 0 FEADHO CN(CCCN(C)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)Cc1ccco1 ZINC000624610890 676587334 /nfs/dbraw/zinc/58/73/34/676587334.db2.gz CZJUWSARLQUJGQ-KRWDZBQOSA-N 1 3 350.507 2.475 20 0 FEADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000627168890 676742096 /nfs/dbraw/zinc/74/20/96/676742096.db2.gz KPTVGZZOTBJYDM-DLBZAZTESA-N 1 3 354.445 2.179 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000629419180 676854214 /nfs/dbraw/zinc/85/42/14/676854214.db2.gz JHMHBPLBASSJLA-SFHVURJKSA-N 1 3 351.535 2.354 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc(Cl)n1 ZINC000830239956 677031631 /nfs/dbraw/zinc/03/16/31/677031631.db2.gz CQTRRNLSDAVHSA-GOEBONIOSA-N 1 3 350.894 2.378 20 0 FEADHO COCC[N@H+](C)CCCC1CCN([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639554160 677161442 /nfs/dbraw/zinc/16/14/42/677161442.db2.gz JLYRSTAANKGVKH-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639554160 677161443 /nfs/dbraw/zinc/16/14/43/677161443.db2.gz JLYRSTAANKGVKH-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO COc1cc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc(OC)c1O ZINC000650725306 677387369 /nfs/dbraw/zinc/38/73/69/677387369.db2.gz XSZQBRHTAZQWKQ-BZUAXINKSA-N 1 3 350.459 2.270 20 0 FEADHO [NH3+]CCCN(Cc1ccc(S(=O)(=O)NC2CC2)cc1)CC1CCCC1 ZINC000652340971 677480203 /nfs/dbraw/zinc/48/02/03/677480203.db2.gz RDGRYYIYEWCWBA-UHFFFAOYSA-N 1 3 365.543 2.468 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)N2CCCC2)cc1 ZINC000655913821 677672250 /nfs/dbraw/zinc/67/22/50/677672250.db2.gz JUKOVRUDYQIPKU-HUUCEWRRSA-N 1 3 358.408 2.321 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655931922 677693572 /nfs/dbraw/zinc/69/35/72/677693572.db2.gz QMDZDBVDVXYZGD-UKRRQHHQSA-N 1 3 358.408 2.040 20 0 FEADHO N[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC[C@H]1F ZINC000659444953 678178217 /nfs/dbraw/zinc/17/82/17/678178217.db2.gz JWEVPHVSPTUNEH-NUEKZKHPSA-N 1 3 354.495 2.041 20 0 FEADHO N[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC[C@H]1F ZINC000659444953 678178220 /nfs/dbraw/zinc/17/82/20/678178220.db2.gz JWEVPHVSPTUNEH-NUEKZKHPSA-N 1 3 354.495 2.041 20 0 FEADHO [NH3+]C[C@@H]1CN(CCc2ccc3c(c2)OC(F)(F)O3)CC12CCOCC2 ZINC000662272320 678599439 /nfs/dbraw/zinc/59/94/39/678599439.db2.gz DTXPFPHDVNYKSL-CQSZACIVSA-N 1 3 354.397 2.238 20 0 FEADHO CC(C)c1csc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000664454020 678880343 /nfs/dbraw/zinc/88/03/43/678880343.db2.gz LNPISCHTNRNUAA-AWEZNQCLSA-N 1 3 355.552 2.338 20 0 FEADHO CC(C)c1csc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000664454020 678880345 /nfs/dbraw/zinc/88/03/45/678880345.db2.gz LNPISCHTNRNUAA-AWEZNQCLSA-N 1 3 355.552 2.338 20 0 FEADHO COc1ccc(CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000665636801 678974104 /nfs/dbraw/zinc/97/41/04/678974104.db2.gz KDMODUAUKWAHBK-INIZCTEOSA-N 1 3 350.507 2.109 20 0 FEADHO COc1ccc(CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000665636801 678974106 /nfs/dbraw/zinc/97/41/06/678974106.db2.gz KDMODUAUKWAHBK-INIZCTEOSA-N 1 3 350.507 2.109 20 0 FEADHO CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000665759690 678981845 /nfs/dbraw/zinc/98/18/45/678981845.db2.gz MNWHLLQSJKRGCS-YESZJQIVSA-N 1 3 356.555 2.103 20 0 FEADHO CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000665759690 678981846 /nfs/dbraw/zinc/98/18/46/678981846.db2.gz MNWHLLQSJKRGCS-YESZJQIVSA-N 1 3 356.555 2.103 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000665763837 678982688 /nfs/dbraw/zinc/98/26/88/678982688.db2.gz NADWDHUBIYYEFN-VDZJLULYSA-N 1 3 350.482 2.195 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000665763837 678982689 /nfs/dbraw/zinc/98/26/89/678982689.db2.gz NADWDHUBIYYEFN-VDZJLULYSA-N 1 3 350.482 2.195 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000669592740 679244403 /nfs/dbraw/zinc/24/44/03/679244403.db2.gz PUFZYJPJOWZYOZ-RDJZCZTQSA-N 1 3 350.532 2.453 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc(Cl)n1 ZINC000831880374 680056396 /nfs/dbraw/zinc/05/63/96/680056396.db2.gz CTUHLDKSPBORCL-CVEARBPZSA-N 1 3 368.909 2.003 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cnc(Cl)s3)C2)CC[N@@H+]1C ZINC001022106446 680196612 /nfs/dbraw/zinc/19/66/12/680196612.db2.gz IDXIIAGAGQTZLZ-UZGDPCLZSA-N 1 3 356.923 2.264 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cnc(Cl)s3)C2)CC[N@H+]1C ZINC001022106446 680196615 /nfs/dbraw/zinc/19/66/15/680196615.db2.gz IDXIIAGAGQTZLZ-UZGDPCLZSA-N 1 3 356.923 2.264 20 0 FEADHO Cc1ncsc1CN1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023378515 680258429 /nfs/dbraw/zinc/25/84/29/680258429.db2.gz AZEMKRCYYARXNO-OWCLPIDISA-N 1 3 350.532 2.120 20 0 FEADHO Cc1ncsc1CN1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023378515 680258432 /nfs/dbraw/zinc/25/84/32/680258432.db2.gz AZEMKRCYYARXNO-OWCLPIDISA-N 1 3 350.532 2.120 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3cc(O)ccc3Cl)C2)CC[N@@H+]1C ZINC000983709368 680323139 /nfs/dbraw/zinc/32/31/39/680323139.db2.gz UYGCNKSDHCZNCU-GKLJAUDBSA-N 1 3 365.905 2.370 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3cc(O)ccc3Cl)C2)CC[N@H+]1C ZINC000983709368 680323142 /nfs/dbraw/zinc/32/31/42/680323142.db2.gz UYGCNKSDHCZNCU-GKLJAUDBSA-N 1 3 365.905 2.370 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3cc(F)cc(F)c3)C2)CC[N@@H+]1C ZINC000999190442 680398134 /nfs/dbraw/zinc/39/81/34/680398134.db2.gz RDFOASYSUIEIHE-FSPWUOQZSA-N 1 3 351.441 2.386 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3cc(F)cc(F)c3)C2)CC[N@H+]1C ZINC000999190442 680398138 /nfs/dbraw/zinc/39/81/38/680398138.db2.gz RDFOASYSUIEIHE-FSPWUOQZSA-N 1 3 351.441 2.386 20 0 FEADHO Cc1nc(CCN2CCC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC001001420804 680461798 /nfs/dbraw/zinc/46/17/98/680461798.db2.gz PYCGJCZCNNZYHO-RDTXWAMCSA-N 1 3 364.559 2.162 20 0 FEADHO Cc1nc(CCN2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC001001420804 680461799 /nfs/dbraw/zinc/46/17/99/680461799.db2.gz PYCGJCZCNNZYHO-RDTXWAMCSA-N 1 3 364.559 2.162 20 0 FEADHO COc1cc(NC(=S)NC2CCN(C)CC2)ccc1OCC[NH+](C)C ZINC000841484253 680886377 /nfs/dbraw/zinc/88/63/77/680886377.db2.gz CYBCNVRCRUOQJK-UHFFFAOYSA-N 1 3 366.531 2.016 20 0 FEADHO CN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841692307 680907406 /nfs/dbraw/zinc/90/74/06/680907406.db2.gz QZLPQPITKOKSIY-HUUCEWRRSA-N 1 3 350.507 2.107 20 0 FEADHO COc1ccccc1[C@H](N)CNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841846703 680914646 /nfs/dbraw/zinc/91/46/46/680914646.db2.gz SPONOHQKFBLPHG-LSDHHAIUSA-N 1 3 362.861 2.258 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc(Cl)n1 ZINC000841851337 680914678 /nfs/dbraw/zinc/91/46/78/680914678.db2.gz OSQRVPJBKVTKGM-QWRGUYRKSA-N 1 3 365.890 2.345 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CC2(Br)CC2)CC1 ZINC000846808186 681292202 /nfs/dbraw/zinc/29/22/02/681292202.db2.gz WZJGUBISFPPWNU-UHFFFAOYSA-N 1 3 374.367 2.330 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932711011 681293785 /nfs/dbraw/zinc/29/37/85/681293785.db2.gz OTNIXWHEUBKJCO-IXDOHACOSA-N 1 3 357.539 2.170 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932711011 681293789 /nfs/dbraw/zinc/29/37/89/681293789.db2.gz OTNIXWHEUBKJCO-IXDOHACOSA-N 1 3 357.539 2.170 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000849106490 681654248 /nfs/dbraw/zinc/65/42/48/681654248.db2.gz RRFVYDSHCPMDQY-NFAWXSAZSA-N 1 3 350.429 2.068 20 0 FEADHO CN(C)C[C@@H]1CC[N@H+](C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 ZINC000851771998 682128851 /nfs/dbraw/zinc/12/88/51/682128851.db2.gz UJFFAUDJALMCHH-JKSUJKDBSA-N 1 3 353.507 2.038 20 0 FEADHO CN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 ZINC000851771998 682128857 /nfs/dbraw/zinc/12/88/57/682128857.db2.gz UJFFAUDJALMCHH-JKSUJKDBSA-N 1 3 353.507 2.038 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000789396402 682600905 /nfs/dbraw/zinc/60/09/05/682600905.db2.gz VBBAEISBUMHEHK-FUHWJXTLSA-N 1 3 364.559 2.246 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000789396402 682600908 /nfs/dbraw/zinc/60/09/08/682600908.db2.gz VBBAEISBUMHEHK-FUHWJXTLSA-N 1 3 364.559 2.246 20 0 FEADHO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000858526141 682976781 /nfs/dbraw/zinc/97/67/81/682976781.db2.gz UCPLFUGPEYCSMR-KRWDZBQOSA-N 1 3 353.507 2.086 20 0 FEADHO C[N@@H+]1CC[C@H](NC[C@@H]2COCCN2C(=O)OC(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000858526768 682977234 /nfs/dbraw/zinc/97/72/34/682977234.db2.gz JJRLGCGBHXAIPS-LTIDMASMSA-N 1 3 353.507 2.085 20 0 FEADHO C[N@H+]1CC[C@H](NC[C@@H]2COCCN2C(=O)OC(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000858526768 682977239 /nfs/dbraw/zinc/97/72/39/682977239.db2.gz JJRLGCGBHXAIPS-LTIDMASMSA-N 1 3 353.507 2.085 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(C)CCCN(C)Cc1ccco1 ZINC000795166639 683025642 /nfs/dbraw/zinc/02/56/42/683025642.db2.gz XBQLBRMXSPXSFT-MRXNPFEDSA-N 1 3 352.548 2.392 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N(C)CCCN(C)Cc1ccco1 ZINC000795166639 683025645 /nfs/dbraw/zinc/02/56/45/683025645.db2.gz XBQLBRMXSPXSFT-MRXNPFEDSA-N 1 3 352.548 2.392 20 0 FEADHO CN1CCC(NC(=S)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000798371592 683340261 /nfs/dbraw/zinc/34/02/61/683340261.db2.gz CMLDXEVPCAKPNO-FQEVSTJZSA-N 1 3 360.571 2.457 20 0 FEADHO CN1CCC(NC(=S)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000798371592 683340267 /nfs/dbraw/zinc/34/02/67/683340267.db2.gz CMLDXEVPCAKPNO-FQEVSTJZSA-N 1 3 360.571 2.457 20 0 FEADHO CN1CCC(CNCc2nc(Br)c[nH]2)([NH+]2CCCCC2)CC1 ZINC000921790513 683575084 /nfs/dbraw/zinc/57/50/84/683575084.db2.gz AWDWZMFMVUMNIK-UHFFFAOYSA-N 1 3 370.339 2.212 20 0 FEADHO C[NH+]1CCC(CNCc2nc(Br)c[nH]2)(N2CCCCC2)CC1 ZINC000921790513 683575090 /nfs/dbraw/zinc/57/50/90/683575090.db2.gz AWDWZMFMVUMNIK-UHFFFAOYSA-N 1 3 370.339 2.212 20 0 FEADHO Cc1cc(NNC(=S)NC2CCN(Cc3ccccc3)CC2)cc[nH+]1 ZINC000863206345 683684838 /nfs/dbraw/zinc/68/48/38/683684838.db2.gz XHBMJNPDPRJPIX-UHFFFAOYSA-N 1 3 355.511 2.268 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(C[C@@](O)(CC)C(F)(F)F)CC2)CC1 ZINC000930752034 683780380 /nfs/dbraw/zinc/78/03/80/683780380.db2.gz RBXPFEDWVQYBRX-INIZCTEOSA-N 1 3 351.457 2.182 20 0 FEADHO CCN1CCC([N@H+]2CCCN(C[C@@](O)(CC)C(F)(F)F)CC2)CC1 ZINC000930752034 683780384 /nfs/dbraw/zinc/78/03/84/683780384.db2.gz RBXPFEDWVQYBRX-INIZCTEOSA-N 1 3 351.457 2.182 20 0 FEADHO C[NH+]1CCC(CNC(=O)C2CC3(CSC3)C2)(N2CCCCC2)CC1 ZINC000866115482 684073774 /nfs/dbraw/zinc/07/37/74/684073774.db2.gz SSHOYEAOWWBRMC-UHFFFAOYSA-N 1 3 351.560 2.196 20 0 FEADHO NC1(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CCC1 ZINC000923330740 684264113 /nfs/dbraw/zinc/26/41/13/684264113.db2.gz HTBYEWBPUFZJOZ-LLVKDONJSA-N 1 3 363.683 2.313 20 0 FEADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923380698 684271697 /nfs/dbraw/zinc/27/16/97/684271697.db2.gz BYHHGOWQHRYYSW-NWANDNLSSA-N 1 3 361.255 2.187 20 0 FEADHO O[C@@H](CN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)CC(F)(F)F ZINC000923397305 684275064 /nfs/dbraw/zinc/27/50/64/684275064.db2.gz KXJWUOVQIKPQDW-CQSZACIVSA-N 1 3 360.424 2.369 20 0 FEADHO O[C@@H](CN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)CC(F)(F)F ZINC000923397305 684275067 /nfs/dbraw/zinc/27/50/67/684275067.db2.gz KXJWUOVQIKPQDW-CQSZACIVSA-N 1 3 360.424 2.369 20 0 FEADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1ccc(Cl)cc1-n1cncn1)CC2 ZINC000923450117 684282734 /nfs/dbraw/zinc/28/27/34/684282734.db2.gz DWYDSYLEUOBWBY-INIZCTEOSA-N 1 3 361.877 2.251 20 0 FEADHO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)COc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC000931437664 684283551 /nfs/dbraw/zinc/28/35/51/684283551.db2.gz UHJLYBJWQCNINV-ILXRZTDVSA-N 1 3 358.404 2.329 20 0 FEADHO C[N@H+]1CC[C@@H]2CN(C[C@H](O)COc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC000931437664 684283554 /nfs/dbraw/zinc/28/35/54/684283554.db2.gz UHJLYBJWQCNINV-ILXRZTDVSA-N 1 3 358.404 2.329 20 0 FEADHO [NH3+]CCC[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccccc1 ZINC000925650457 684576191 /nfs/dbraw/zinc/57/61/91/684576191.db2.gz OPUTVZYIIYETKE-IBGZPJMESA-N 1 3 362.495 2.022 20 0 FEADHO [NH3+][C@H]1C[C@@H](CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000877242655 686343218 /nfs/dbraw/zinc/34/32/18/686343218.db2.gz HUCVFLMLGCWOJA-HLLBOEOZSA-N 1 3 355.404 2.295 20 0 FEADHO CN1CC[C@]2(CC[N@H+](C[C@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)C1 ZINC000877546304 686406066 /nfs/dbraw/zinc/40/60/66/686406066.db2.gz QGQNPHPZQWRLOF-KXBFYZLASA-N 1 3 353.507 2.386 20 0 FEADHO CN1CC[C@]2(CC[N@@H+](C[C@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)C1 ZINC000877546304 686406068 /nfs/dbraw/zinc/40/60/68/686406068.db2.gz QGQNPHPZQWRLOF-KXBFYZLASA-N 1 3 353.507 2.386 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccsc1 ZINC000891349492 689052548 /nfs/dbraw/zinc/05/25/48/689052548.db2.gz VRTAVSPJJQEXKW-XYJFISCASA-N 1 3 350.532 2.382 20 0 FEADHO COC(=O)c1ccc(Cl)c(CNCCC[N@@H+]2CCCN(C)CC2)c1 ZINC000894377940 689521684 /nfs/dbraw/zinc/52/16/84/689521684.db2.gz IMBDLGKPEGVUPV-UHFFFAOYSA-N 1 3 353.894 2.244 20 0 FEADHO COC(=O)c1ccc(Cl)c(CNCCC[N@H+]2CCCN(C)CC2)c1 ZINC000894377940 689521688 /nfs/dbraw/zinc/52/16/88/689521688.db2.gz IMBDLGKPEGVUPV-UHFFFAOYSA-N 1 3 353.894 2.244 20 0 FEADHO CCN1CCN(CCC[NH2+]Cc2cc(C(=O)OC)c(C(C)C)[nH]2)CC1 ZINC000894384918 689522717 /nfs/dbraw/zinc/52/27/17/689522717.db2.gz MVCBQWCIVSOADA-UHFFFAOYSA-N 1 3 350.507 2.042 20 0 FEADHO CCN(CC)[C@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccsc1 ZINC000900193088 690482053 /nfs/dbraw/zinc/48/20/53/690482053.db2.gz ZFBWUMSBCBQHES-AEFFLSMTSA-N 1 3 353.532 2.094 20 0 FEADHO CCN(CC)[C@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccsc1 ZINC000900193088 690482056 /nfs/dbraw/zinc/48/20/56/690482056.db2.gz ZFBWUMSBCBQHES-AEFFLSMTSA-N 1 3 353.532 2.094 20 0 FEADHO CN1CCN([C@@H](CN[C@H]2CC[NH2+]CC(C)(C)C2)c2cccs2)CC1 ZINC000902317654 690757225 /nfs/dbraw/zinc/75/72/25/690757225.db2.gz DYYUQWPYYCGKSS-IRXDYDNUSA-N 1 3 350.576 2.404 20 0 FEADHO O=S(=O)(CCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1 ZINC000903749875 690969769 /nfs/dbraw/zinc/96/97/69/690969769.db2.gz RDESIGVVOJKLHF-DLBZAZTESA-N 1 3 351.516 2.140 20 0 FEADHO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1coc2ccccc21 ZINC000907134070 691403992 /nfs/dbraw/zinc/40/39/92/691403992.db2.gz FPOVADCAZNXXGS-UHFFFAOYSA-N 1 3 365.499 2.079 20 0 FEADHO CN(C)C[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000908068453 691608851 /nfs/dbraw/zinc/60/88/51/691608851.db2.gz JWPXWTAVZFCRPL-MRXNPFEDSA-N 1 3 363.893 2.131 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCCCC(C)=O)CC2)CC1 ZINC000909107492 691779463 /nfs/dbraw/zinc/77/94/63/691779463.db2.gz BQNUBNIOZKBMMH-UHFFFAOYSA-N 1 3 351.535 2.448 20 0 FEADHO Cc1cccc(OCCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000051236016 540428047 /nfs/dbraw/zinc/42/80/47/540428047.db2.gz MSNRIDZWQXSMAN-UHFFFAOYSA-N 1 3 374.529 2.232 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@@H]2CCCN(C)C2)cc1 ZINC000057821393 540817146 /nfs/dbraw/zinc/81/71/46/540817146.db2.gz ZBUQRBYIKBBMPY-GOSISDBHSA-N 1 3 362.518 2.301 20 0 FEADHO CN1CCC[C@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000064244457 541196621 /nfs/dbraw/zinc/19/66/21/541196621.db2.gz HIRTTYHDNDJRSL-INIZCTEOSA-N 1 3 350.532 2.354 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000066223457 541292891 /nfs/dbraw/zinc/29/28/91/541292891.db2.gz GTPCKUQVIVXVAI-LJQANCHMSA-N 1 3 372.513 2.164 20 0 FEADHO C[C@@H]1CCC[C@@](CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)([NH+](C)C)C1 ZINC000073811516 542003092 /nfs/dbraw/zinc/00/30/92/542003092.db2.gz YDVUMPRYRXKIFX-WSTZPKSXSA-N 1 3 368.566 2.249 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000074157526 542044502 /nfs/dbraw/zinc/04/45/02/542044502.db2.gz GIIVTGZOWJXLGV-FQEVSTJZSA-N 1 3 372.557 2.389 20 0 FEADHO CC1CC[NH+](CCCNC(=O)c2cnn(CCN3CCCCC3)c2)CC1 ZINC000074187083 542050617 /nfs/dbraw/zinc/05/06/17/542050617.db2.gz ZPSPXIBCJYBLEC-UHFFFAOYSA-N 1 3 361.534 2.221 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000079807309 542543364 /nfs/dbraw/zinc/54/33/64/542543364.db2.gz XWOJIOQEUXYPMS-UHFFFAOYSA-N 1 3 364.538 2.324 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cc(F)ccc1F ZINC000079886150 542547478 /nfs/dbraw/zinc/54/74/78/542547478.db2.gz DHBMTXHERFJSCL-KRWDZBQOSA-N 1 3 353.457 2.382 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cc(F)ccc1F ZINC000079886150 542547482 /nfs/dbraw/zinc/54/74/82/542547482.db2.gz DHBMTXHERFJSCL-KRWDZBQOSA-N 1 3 353.457 2.382 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000081481183 542660192 /nfs/dbraw/zinc/66/01/92/542660192.db2.gz GLYYGVLUJQAEDS-SFHVURJKSA-N 1 3 351.535 2.212 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(F)c(F)c1 ZINC000087237321 542743864 /nfs/dbraw/zinc/74/38/64/542743864.db2.gz NPRNFBDORKXPKF-INIZCTEOSA-N 1 3 353.457 2.382 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(F)c(F)c1 ZINC000087237321 542743861 /nfs/dbraw/zinc/74/38/61/542743861.db2.gz NPRNFBDORKXPKF-INIZCTEOSA-N 1 3 353.457 2.382 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000089666083 542768150 /nfs/dbraw/zinc/76/81/50/542768150.db2.gz DFBMDFYDDRTFMU-WFASDCNBSA-N 1 3 354.292 2.109 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000089666083 542768155 /nfs/dbraw/zinc/76/81/55/542768155.db2.gz DFBMDFYDDRTFMU-WFASDCNBSA-N 1 3 354.292 2.109 20 0 FEADHO CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090391818 542784263 /nfs/dbraw/zinc/78/42/63/542784263.db2.gz BUOCMSHFQCTZKV-YJBOKZPZSA-N 1 3 357.564 2.091 20 0 FEADHO CCCc1cc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)n(C)n1 ZINC000091094594 542794621 /nfs/dbraw/zinc/79/46/21/542794621.db2.gz PPFJEJHSEPWYCG-KRWDZBQOSA-N 1 3 364.538 2.252 20 0 FEADHO CCCc1cc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)n(C)n1 ZINC000091094594 542794622 /nfs/dbraw/zinc/79/46/22/542794622.db2.gz PPFJEJHSEPWYCG-KRWDZBQOSA-N 1 3 364.538 2.252 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CN1C1CC1 ZINC000093135961 542910992 /nfs/dbraw/zinc/91/09/92/542910992.db2.gz JYASSTDJEJTOGB-DOTOQJQBSA-N 1 3 357.502 2.222 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000093405168 542929949 /nfs/dbraw/zinc/92/99/49/542929949.db2.gz YQAJNECDSPBFPV-RDJZCZTQSA-N 1 3 358.534 2.270 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc(-c2cccs2)n1 ZINC000103211137 543097022 /nfs/dbraw/zinc/09/70/22/543097022.db2.gz ULCRHFOJFYOCEA-UHFFFAOYSA-N 1 3 352.529 2.437 20 0 FEADHO C[C@@H](CNC(=O)N(C)C1CCN(CCc2ccncc2)CC1)[N@H+](C)C1CC1 ZINC000105269648 543167576 /nfs/dbraw/zinc/16/75/76/543167576.db2.gz VKUOKQQCUDDQRL-KRWDZBQOSA-N 1 3 373.545 2.213 20 0 FEADHO C[C@@H](CNC(=O)N(C)C1CCN(CCc2ccncc2)CC1)[N@@H+](C)C1CC1 ZINC000105269648 543167578 /nfs/dbraw/zinc/16/75/78/543167578.db2.gz VKUOKQQCUDDQRL-KRWDZBQOSA-N 1 3 373.545 2.213 20 0 FEADHO COc1cccc([C@@H]2C[C@@H]2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000106759619 543245487 /nfs/dbraw/zinc/24/54/87/543245487.db2.gz MVJBDAUPXISNHY-SFTDATJTSA-N 1 3 371.525 2.474 20 0 FEADHO CCC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2ccccn2)CC1 ZINC000107390575 543269866 /nfs/dbraw/zinc/26/98/66/543269866.db2.gz XXICIAPUALVTKO-UHFFFAOYSA-N 1 3 361.534 2.277 20 0 FEADHO COCCN1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCCCC3)C2)CC1 ZINC000107840123 543279231 /nfs/dbraw/zinc/27/92/31/543279231.db2.gz QAQNKJGLQWZIMY-IBGZPJMESA-N 1 3 366.550 2.147 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3c3ccc[nH]3)CC2)CC1 ZINC000114949611 543547425 /nfs/dbraw/zinc/54/74/25/543547425.db2.gz KYDMLTWSHLDOQN-IBGZPJMESA-N 1 3 359.518 2.420 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(-c4cccs4)n[nH]3)CC2)CC1 ZINC000124361021 543816417 /nfs/dbraw/zinc/81/64/17/543816417.db2.gz XBBZMQRRQSOAEB-UHFFFAOYSA-N 1 3 373.526 2.427 20 0 FEADHO CC[C@@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)N1CCc2ccccc2C1 ZINC000129507496 544116143 /nfs/dbraw/zinc/11/61/43/544116143.db2.gz CUDCQJLRNCWEDO-PXNSSMCTSA-N 1 3 358.530 2.416 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NCCNC(=O)c2ccccc2F)[C@H](C)C1 ZINC000130910128 544170208 /nfs/dbraw/zinc/17/02/08/544170208.db2.gz YMWKBBTTXNTWTL-VQIMIIECSA-N 1 3 365.493 2.282 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NCCNC(=O)c2ccccc2F)[C@H](C)C1 ZINC000130910128 544170210 /nfs/dbraw/zinc/17/02/10/544170210.db2.gz YMWKBBTTXNTWTL-VQIMIIECSA-N 1 3 365.493 2.282 20 0 FEADHO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cccc(CN2CCCC2)c1 ZINC000131702997 544202871 /nfs/dbraw/zinc/20/28/71/544202871.db2.gz NDDASDNRWSCJEQ-FQEVSTJZSA-N 1 3 359.514 2.249 20 0 FEADHO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cccc(CN2CCCC2)c1 ZINC000131702997 544202872 /nfs/dbraw/zinc/20/28/72/544202872.db2.gz NDDASDNRWSCJEQ-FQEVSTJZSA-N 1 3 359.514 2.249 20 0 FEADHO CCC[C@H](C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)N(C)C ZINC000133780727 544283386 /nfs/dbraw/zinc/28/33/86/544283386.db2.gz RPOSPVKGAUZDGR-ZIFCJYIRSA-N 1 3 353.551 2.455 20 0 FEADHO CCC[C@H](C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)N(C)C ZINC000133780727 544283387 /nfs/dbraw/zinc/28/33/87/544283387.db2.gz RPOSPVKGAUZDGR-ZIFCJYIRSA-N 1 3 353.551 2.455 20 0 FEADHO CCCN1CCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000135554223 544352419 /nfs/dbraw/zinc/35/24/19/544352419.db2.gz JZAZLGUYXABZTG-WOJBJXKFSA-N 1 3 359.514 2.134 20 0 FEADHO CCCN1CCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000135554223 544352420 /nfs/dbraw/zinc/35/24/20/544352420.db2.gz JZAZLGUYXABZTG-WOJBJXKFSA-N 1 3 359.514 2.134 20 0 FEADHO CN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152458936 544656539 /nfs/dbraw/zinc/65/65/39/544656539.db2.gz QAJPBZIHOMXRBC-QGZVFWFLSA-N 1 3 372.513 2.416 20 0 FEADHO CN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152458936 544656540 /nfs/dbraw/zinc/65/65/40/544656540.db2.gz QAJPBZIHOMXRBC-QGZVFWFLSA-N 1 3 372.513 2.416 20 0 FEADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccc2c(c1)OCO2 ZINC000153308414 544758795 /nfs/dbraw/zinc/75/87/95/544758795.db2.gz XCILMMLALFVQRS-QGZVFWFLSA-N 1 3 362.470 2.152 20 0 FEADHO CCCN1CCC([NH2+]Cc2ccc(CS(=O)(=O)NC(C)C)cc2)CC1 ZINC000153865288 544833956 /nfs/dbraw/zinc/83/39/56/544833956.db2.gz VIOFCHXQGBXQNM-UHFFFAOYSA-N 1 3 367.559 2.478 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H](C[NH+](C)C)C3)c2)CC1 ZINC000187787810 328045896 /nfs/dbraw/zinc/04/58/96/328045896.db2.gz VRERXYQAGBSVNU-QGZVFWFLSA-N 1 3 359.518 2.244 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1NC(=O)c1n[nH]c2c1CNCC2 ZINC000188707812 328105747 /nfs/dbraw/zinc/10/57/47/328105747.db2.gz HAOASXYDXJGTHW-UHFFFAOYSA-N 1 3 357.458 2.028 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189041943 328125383 /nfs/dbraw/zinc/12/53/83/328125383.db2.gz VGRSGJAJSRJRAG-KRWDZBQOSA-N 1 3 359.493 2.186 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCCN2CCCC[C@@H]2C)cc1 ZINC000189416852 328146779 /nfs/dbraw/zinc/14/67/79/328146779.db2.gz ZMQZEGSEPNYPGM-KRWDZBQOSA-N 1 3 374.529 2.458 20 0 FEADHO CC(C)N1CCN(CCC[NH+]2CCC(OC[C@H]3CCCCO3)CC2)CC1 ZINC000191536173 328270246 /nfs/dbraw/zinc/27/02/46/328270246.db2.gz CIJTUXFJUBYBFR-OAQYLSRUSA-N 1 3 367.578 2.453 20 0 FEADHO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000237072140 328503724 /nfs/dbraw/zinc/50/37/24/328503724.db2.gz NTTHBPPSCKCDRB-GOSISDBHSA-N 1 3 358.530 2.289 20 0 FEADHO C[C@@H](CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)[C@H]1CCC[NH2+]C1 ZINC000237382677 328514507 /nfs/dbraw/zinc/51/45/07/328514507.db2.gz MYZNYJOSQNXXIH-GJZGRUSLSA-N 1 3 374.485 2.120 20 0 FEADHO C[NH+](C)[C@H](CNC(=O)N1CCN(C2CCCC2)CC1)Cc1ccccc1 ZINC000079221038 325082957 /nfs/dbraw/zinc/08/29/57/325082957.db2.gz PVCVZVAFLVUWIM-FQEVSTJZSA-N 1 3 358.530 2.429 20 0 FEADHO C[C@@H](CC(=O)NCC1(N2CCSCC2)CCCC1)C1CC[NH2+]CC1 ZINC000237412011 328515231 /nfs/dbraw/zinc/51/52/31/328515231.db2.gz JMVUZXVCMFHQGN-INIZCTEOSA-N 1 3 353.576 2.490 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccco1)[NH+]1CCC(C)CC1 ZINC000088536971 325296506 /nfs/dbraw/zinc/29/65/06/325296506.db2.gz RETDVTDMJOYRRB-QGZVFWFLSA-N 1 3 350.507 2.473 20 0 FEADHO C[C@@H](NCC1(CS(C)(=O)=O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000090183217 325356269 /nfs/dbraw/zinc/35/62/69/325356269.db2.gz QLSMKJGKOCYJHU-OAHLLOKOSA-N 1 3 354.516 2.102 20 0 FEADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000118097060 326080302 /nfs/dbraw/zinc/08/03/02/326080302.db2.gz SWTCASRSZDVWPD-GOSISDBHSA-N 1 3 360.502 2.067 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000119080866 326124663 /nfs/dbraw/zinc/12/46/63/326124663.db2.gz YNWUNXNQCDFCFH-UTKZUKDTSA-N 1 3 373.541 2.446 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC[N@H+]1C ZINC000119080866 326124667 /nfs/dbraw/zinc/12/46/67/326124667.db2.gz YNWUNXNQCDFCFH-UTKZUKDTSA-N 1 3 373.541 2.446 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000119889489 326209402 /nfs/dbraw/zinc/20/94/02/326209402.db2.gz UUNLZMPIHIPFPJ-MJGOQNOKSA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000119889489 326209404 /nfs/dbraw/zinc/20/94/04/326209404.db2.gz UUNLZMPIHIPFPJ-MJGOQNOKSA-N 1 3 366.550 2.002 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1ccccc1 ZINC000128543935 326525562 /nfs/dbraw/zinc/52/55/62/326525562.db2.gz LBFCWDNEFZKJDP-SLFFLAALSA-N 1 3 369.513 2.376 20 0 FEADHO COc1ccc2nc(NC(=O)N(CCN(C)C)CC[NH+](C)C)sc2c1 ZINC000131132851 326569145 /nfs/dbraw/zinc/56/91/45/326569145.db2.gz IPUPPEKDGSZTAZ-UHFFFAOYSA-N 1 3 365.503 2.262 20 0 FEADHO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000132784230 326597974 /nfs/dbraw/zinc/59/79/74/326597974.db2.gz PIQQDLLJAVUMSN-KRWDZBQOSA-N 1 3 361.530 2.380 20 0 FEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000162490207 327027209 /nfs/dbraw/zinc/02/72/09/327027209.db2.gz ITBSPDKWVZOJJG-VQTJNVASSA-N 1 3 360.546 2.436 20 0 FEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000162490207 327027210 /nfs/dbraw/zinc/02/72/10/327027210.db2.gz ITBSPDKWVZOJJG-VQTJNVASSA-N 1 3 360.546 2.436 20 0 FEADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc(F)ccc1F ZINC000168907792 327087891 /nfs/dbraw/zinc/08/78/91/327087891.db2.gz WCZLJLFLUQDINV-LJQANCHMSA-N 1 3 355.473 2.396 20 0 FEADHO Cc1cccc(C)c1OCCC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000171827075 327164213 /nfs/dbraw/zinc/16/42/13/327164213.db2.gz SCXIVLBMNZRBTH-UHFFFAOYSA-N 1 3 361.530 2.462 20 0 FEADHO C[C@H]1CCCN(CCNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000173846855 327288544 /nfs/dbraw/zinc/28/85/44/327288544.db2.gz WZEJXWHTYNZJNI-SFHVURJKSA-N 1 3 366.550 2.005 20 0 FEADHO Cc1ccccc1OC[C@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173947679 327296737 /nfs/dbraw/zinc/29/67/37/327296737.db2.gz SXYZLHXQBXLLDH-LJQANCHMSA-N 1 3 362.514 2.312 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)[C@H](C)C1 ZINC000175002085 327366952 /nfs/dbraw/zinc/36/69/52/327366952.db2.gz GBDAROBZIYVRJF-MKXGPGLRSA-N 1 3 368.566 2.248 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)[C@H](C)C1 ZINC000175002085 327366953 /nfs/dbraw/zinc/36/69/53/327366953.db2.gz GBDAROBZIYVRJF-MKXGPGLRSA-N 1 3 368.566 2.248 20 0 FEADHO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000262050241 328838135 /nfs/dbraw/zinc/83/81/35/328838135.db2.gz ZLOHCKYEBLCVKC-GOSISDBHSA-N 1 3 365.905 2.171 20 0 FEADHO COCC[N@H+](C)CCCNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000265745751 329156172 /nfs/dbraw/zinc/15/61/72/329156172.db2.gz WQGJGSGPWTYNKT-UHFFFAOYSA-N 1 3 366.506 2.025 20 0 FEADHO COCC[N@@H+](C)CCCNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000265745751 329156173 /nfs/dbraw/zinc/15/61/73/329156173.db2.gz WQGJGSGPWTYNKT-UHFFFAOYSA-N 1 3 366.506 2.025 20 0 FEADHO COCCN1CC[C@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000265786606 329160014 /nfs/dbraw/zinc/16/00/14/329160014.db2.gz WHYDELOEMAZVOH-WMZOPIPTSA-N 1 3 362.518 2.136 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000266729520 329253668 /nfs/dbraw/zinc/25/36/68/329253668.db2.gz BCSCJFXZSHXUEE-APWZRJJASA-N 1 3 358.530 2.210 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[N@H+]1C ZINC000266729520 329253669 /nfs/dbraw/zinc/25/36/69/329253669.db2.gz BCSCJFXZSHXUEE-APWZRJJASA-N 1 3 358.530 2.210 20 0 FEADHO CN(C)[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000267252035 329307323 /nfs/dbraw/zinc/30/73/23/329307323.db2.gz ZWWCQIBWRKMUIQ-SJLPKXTDSA-N 1 3 350.532 2.026 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000268097655 329384790 /nfs/dbraw/zinc/38/47/90/329384790.db2.gz DDUPRAVJKBLYPL-JXFKEZNVSA-N 1 3 374.529 2.299 20 0 FEADHO CC(C)[C@@H](CCO)[NH2+][C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000274139713 329919333 /nfs/dbraw/zinc/91/93/33/329919333.db2.gz ZHKAVQVFZBLJCC-YLJYHZDGSA-N 1 3 361.530 2.152 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000275676627 330077049 /nfs/dbraw/zinc/07/70/49/330077049.db2.gz PPDHSTHCQVLTMI-KRWDZBQOSA-N 1 3 374.529 2.413 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000275702830 330079382 /nfs/dbraw/zinc/07/93/82/330079382.db2.gz SUKXORVCKRLOJM-WOJBJXKFSA-N 1 3 374.529 2.290 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000279072354 330172569 /nfs/dbraw/zinc/17/25/69/330172569.db2.gz UDRBKDWMRYTAPG-INIZCTEOSA-N 1 3 367.497 2.189 20 0 FEADHO C[C@H]1CN(CCc2nc3ccccc3n2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367029667 330208796 /nfs/dbraw/zinc/20/87/96/330208796.db2.gz MYFSYKBEPVLRPH-HKUYNNGSSA-N 1 3 355.530 2.074 20 0 FEADHO C[NH+](C)CC1(NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)CCC1 ZINC000367094801 330216140 /nfs/dbraw/zinc/21/61/40/330216140.db2.gz RIPSSOLGZOEWKW-SFHVURJKSA-N 1 3 359.518 2.077 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000479054853 561180405 /nfs/dbraw/zinc/18/04/05/561180405.db2.gz MGYOSPSYUNLNRO-UHFFFAOYSA-N 1 3 361.534 2.277 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000176166401 546415678 /nfs/dbraw/zinc/41/56/78/546415678.db2.gz XITIVJIBGFPWCA-SFHVURJKSA-N 1 3 368.566 2.440 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000176166401 546415681 /nfs/dbraw/zinc/41/56/81/546415681.db2.gz XITIVJIBGFPWCA-SFHVURJKSA-N 1 3 368.566 2.440 20 0 FEADHO COCCN1CCC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000176273420 546426282 /nfs/dbraw/zinc/42/62/82/546426282.db2.gz MGEQVCCYQAUHIP-UHFFFAOYSA-N 1 3 366.550 2.194 20 0 FEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000176622417 546468202 /nfs/dbraw/zinc/46/82/02/546468202.db2.gz PJSBFUFAWVJVOV-GOSISDBHSA-N 1 3 368.566 2.249 20 0 FEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000176622417 546468206 /nfs/dbraw/zinc/46/82/06/546468206.db2.gz PJSBFUFAWVJVOV-GOSISDBHSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000480501670 561210520 /nfs/dbraw/zinc/21/05/20/561210520.db2.gz WARUXEAORMXYEW-PXNSSMCTSA-N 1 3 356.514 2.389 20 0 FEADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000480501670 561210521 /nfs/dbraw/zinc/21/05/21/561210521.db2.gz WARUXEAORMXYEW-PXNSSMCTSA-N 1 3 356.514 2.389 20 0 FEADHO CN(C)[C@@]1(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCSC1 ZINC000481037471 561223680 /nfs/dbraw/zinc/22/36/80/561223680.db2.gz NGZAUEFOJAEGGN-SJLPKXTDSA-N 1 3 356.580 2.233 20 0 FEADHO C[C@@H]1CCC[C@](CNC(=O)NC[C@]2(N(C)C)CCSC2)([NH+](C)C)C1 ZINC000481285894 561229600 /nfs/dbraw/zinc/22/96/00/561229600.db2.gz BMQLEISMEKQACC-BPQIPLTHSA-N 1 3 356.580 2.233 20 0 FEADHO CN(C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000179102830 546899414 /nfs/dbraw/zinc/89/94/14/546899414.db2.gz PILBGSNMQHJJAL-NVXWUHKLSA-N 1 3 355.404 2.261 20 0 FEADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(-n2cncn2)cc1 ZINC000179509994 546968318 /nfs/dbraw/zinc/96/83/18/546968318.db2.gz RTLSRZWSWHVDLA-INIZCTEOSA-N 1 3 366.469 2.454 20 0 FEADHO CNC(=O)C1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000179824393 547017956 /nfs/dbraw/zinc/01/79/56/547017956.db2.gz NXBWQGNILUMWEX-UHFFFAOYSA-N 1 3 358.530 2.175 20 0 FEADHO Cn1cc([C@H](NCCCN2CCC[N@H+](C)CC2)c2cccc(F)c2)cn1 ZINC000180466974 547111480 /nfs/dbraw/zinc/11/14/80/547111480.db2.gz LYPURTVTOCEFRH-HXUWFJFHSA-N 1 3 359.493 2.266 20 0 FEADHO Cn1cc([C@H](NCCCN2CCC[N@@H+](C)CC2)c2cccc(F)c2)cn1 ZINC000180466974 547111484 /nfs/dbraw/zinc/11/14/84/547111484.db2.gz LYPURTVTOCEFRH-HXUWFJFHSA-N 1 3 359.493 2.266 20 0 FEADHO CN(CCC(=O)Nc1ccc(F)cc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000180933290 547212413 /nfs/dbraw/zinc/21/24/13/547212413.db2.gz HFVUTSAKRXJCHY-UHFFFAOYSA-N 1 3 350.482 2.112 20 0 FEADHO CN(CCC(=O)Nc1ccc(F)cc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180933290 547212417 /nfs/dbraw/zinc/21/24/17/547212417.db2.gz HFVUTSAKRXJCHY-UHFFFAOYSA-N 1 3 350.482 2.112 20 0 FEADHO CN(C)CCNC(=O)c1ccc(CNC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000180998841 547227054 /nfs/dbraw/zinc/22/70/54/547227054.db2.gz ICJGQIHBFAKNBP-UHFFFAOYSA-N 1 3 360.546 2.331 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)C1 ZINC000182336309 547475377 /nfs/dbraw/zinc/47/53/77/547475377.db2.gz VVVNFBATSVEFJT-RDGPPVDQSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)C1 ZINC000182336309 547475380 /nfs/dbraw/zinc/47/53/80/547475380.db2.gz VVVNFBATSVEFJT-RDGPPVDQSA-N 1 3 350.551 2.480 20 0 FEADHO CC[NH+](CC)CCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000483784423 561283989 /nfs/dbraw/zinc/28/39/89/561283989.db2.gz MJXIVXSBOKNSBY-UHFFFAOYSA-N 1 3 356.580 2.379 20 0 FEADHO C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182956256 547578444 /nfs/dbraw/zinc/57/84/44/547578444.db2.gz IAPNDMLQXBGVQB-OALUTQOASA-N 1 3 372.557 2.312 20 0 FEADHO C[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183497128 547671703 /nfs/dbraw/zinc/67/17/03/547671703.db2.gz AJDYQHBRRPQGKQ-HOTGVXAUSA-N 1 3 362.522 2.219 20 0 FEADHO C[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183497128 547671706 /nfs/dbraw/zinc/67/17/06/547671706.db2.gz AJDYQHBRRPQGKQ-HOTGVXAUSA-N 1 3 362.522 2.219 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000184585202 547850533 /nfs/dbraw/zinc/85/05/33/547850533.db2.gz OEIBPJFKQYPKMD-NRFANRHFSA-N 1 3 372.557 2.356 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000184585202 547850536 /nfs/dbraw/zinc/85/05/36/547850536.db2.gz OEIBPJFKQYPKMD-NRFANRHFSA-N 1 3 372.557 2.356 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000185403988 547979566 /nfs/dbraw/zinc/97/95/66/547979566.db2.gz RFUQMMYNQSOMBO-GOSISDBHSA-N 1 3 368.566 2.441 20 0 FEADHO CN(CCC[NH+](C)C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000186180440 548095778 /nfs/dbraw/zinc/09/57/78/548095778.db2.gz SMMULDZDPWUHSY-UHFFFAOYSA-N 1 3 356.580 2.331 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@]2(N)C[C@H](OCC)C2(C)C)CC1 ZINC000186723905 548180725 /nfs/dbraw/zinc/18/07/25/548180725.db2.gz QQMVNCIJTXZDGJ-PXNSSMCTSA-N 1 3 353.551 2.489 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@]2(N)C[C@H](OCC)C2(C)C)CC1 ZINC000186723905 548180728 /nfs/dbraw/zinc/18/07/28/548180728.db2.gz QQMVNCIJTXZDGJ-PXNSSMCTSA-N 1 3 353.551 2.489 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)c1nccs1 ZINC000187044768 548246422 /nfs/dbraw/zinc/24/64/22/548246422.db2.gz SGWVHMGAFUGVRV-HZPDHXFCSA-N 1 3 367.563 2.304 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)c1nccs1 ZINC000187044768 548246426 /nfs/dbraw/zinc/24/64/26/548246426.db2.gz SGWVHMGAFUGVRV-HZPDHXFCSA-N 1 3 367.563 2.304 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000486812580 561357259 /nfs/dbraw/zinc/35/72/59/561357259.db2.gz WTFOBKFRHXKQLX-POAQFYNOSA-N 1 3 359.514 2.403 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000486812580 561357260 /nfs/dbraw/zinc/35/72/60/561357260.db2.gz WTFOBKFRHXKQLX-POAQFYNOSA-N 1 3 359.514 2.403 20 0 FEADHO CC[C@H]1CN(CC[NH2+]Cc2ccccc2N2CCN(CC)CC2)CCO1 ZINC000487207445 561366035 /nfs/dbraw/zinc/36/60/35/561366035.db2.gz SDDJKWHAEUTREE-FQEVSTJZSA-N 1 3 360.546 2.029 20 0 FEADHO CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000236737909 548777466 /nfs/dbraw/zinc/77/74/66/548777466.db2.gz JRCUGWUNWWMVKH-MSOLQXFVSA-N 1 3 360.502 2.165 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)CC2CC[NH2+]CC2)cc1)[C@@H]1CCCN(C)C1 ZINC000237180796 548806071 /nfs/dbraw/zinc/80/60/71/548806071.db2.gz IDPNZUAXLYVAIV-LJQANCHMSA-N 1 3 372.513 2.181 20 0 FEADHO CN1CCN(CCCNC(=O)c2ccc(C[NH3+])cc2)[C@@H](c2ccccc2)C1 ZINC000237203317 548807820 /nfs/dbraw/zinc/80/78/20/548807820.db2.gz HWVCUMIKORVZJD-OAQYLSRUSA-N 1 3 366.509 2.254 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000237520289 548831252 /nfs/dbraw/zinc/83/12/52/548831252.db2.gz FLCZIRJASVGBJM-FQEVSTJZSA-N 1 3 371.525 2.413 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)[C@H](C)C1 ZINC000245677003 548972507 /nfs/dbraw/zinc/97/25/07/548972507.db2.gz GBDAROBZIYVRJF-HCXYKTFWSA-N 1 3 368.566 2.248 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)[C@H](C)C1 ZINC000245677003 548972513 /nfs/dbraw/zinc/97/25/13/548972513.db2.gz GBDAROBZIYVRJF-HCXYKTFWSA-N 1 3 368.566 2.248 20 0 FEADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000245936590 549023269 /nfs/dbraw/zinc/02/32/69/549023269.db2.gz ACOHTGQYCXWOFE-GOSISDBHSA-N 1 3 369.937 2.038 20 0 FEADHO CN1[C@@H]2CC[C@H]1CN(C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC000246404876 549126014 /nfs/dbraw/zinc/12/60/14/549126014.db2.gz RRBKAOFZRQZSNT-MOPGFXCFSA-N 1 3 374.529 2.395 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000246533050 549154994 /nfs/dbraw/zinc/15/49/94/549154994.db2.gz UZMANMNLKFKYPP-QRQLOZEOSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000246533050 549154996 /nfs/dbraw/zinc/15/49/96/549154996.db2.gz UZMANMNLKFKYPP-QRQLOZEOSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)C[C@H](C)O1 ZINC000246571126 549163909 /nfs/dbraw/zinc/16/39/09/549163909.db2.gz VAEBPQPAYBACIV-FUHIMQAGSA-N 1 3 359.514 2.077 20 0 FEADHO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000247227682 549301865 /nfs/dbraw/zinc/30/18/65/549301865.db2.gz RVDGPSLUFZCXDP-RMJJICAUSA-N 1 3 366.594 2.274 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248406987 549430123 /nfs/dbraw/zinc/43/01/23/549430123.db2.gz TVBFIGGYDSOKHU-YQVWRLOYSA-N 1 3 366.550 2.049 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248406987 549430127 /nfs/dbraw/zinc/43/01/27/549430127.db2.gz TVBFIGGYDSOKHU-YQVWRLOYSA-N 1 3 366.550 2.049 20 0 FEADHO C(N1CC[C@@H]2OCCC[C@@H]2C1)C1(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)COC1 ZINC000248423801 549434128 /nfs/dbraw/zinc/43/41/28/549434128.db2.gz NEQZIEAUCPQTQV-JVSBHGNQSA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CC[C@@H]2OCCC[C@@H]2C1)C1(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)COC1 ZINC000248423801 549434131 /nfs/dbraw/zinc/43/41/31/549434131.db2.gz NEQZIEAUCPQTQV-JVSBHGNQSA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CC[C@H]2OCCC[C@H]2C1)C1(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)COC1 ZINC000248423801 549434134 /nfs/dbraw/zinc/43/41/34/549434134.db2.gz NEQZIEAUCPQTQV-JVSBHGNQSA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CC[C@H]2OCCC[C@H]2C1)C1(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)COC1 ZINC000248423801 549434136 /nfs/dbraw/zinc/43/41/36/549434136.db2.gz NEQZIEAUCPQTQV-JVSBHGNQSA-N 1 3 364.530 2.005 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)C12CCOCC2 ZINC000248997494 549538496 /nfs/dbraw/zinc/53/84/96/549538496.db2.gz MKEAJNUPRMAJLA-AKHDSKFASA-N 1 3 354.535 2.440 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)[C@@H](C)C1 ZINC000249190174 549566686 /nfs/dbraw/zinc/56/66/86/549566686.db2.gz PCGHAFIOZQZXIT-QFBILLFUSA-N 1 3 374.529 2.184 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)[C@@H](C)C1 ZINC000249190174 549566690 /nfs/dbraw/zinc/56/66/90/549566690.db2.gz PCGHAFIOZQZXIT-QFBILLFUSA-N 1 3 374.529 2.184 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)[C@@H](C)C1 ZINC000249190173 549567359 /nfs/dbraw/zinc/56/73/59/549567359.db2.gz PCGHAFIOZQZXIT-LPHOPBHVSA-N 1 3 374.529 2.184 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)[C@@H](C)C1 ZINC000249190173 549567361 /nfs/dbraw/zinc/56/73/61/549567361.db2.gz PCGHAFIOZQZXIT-LPHOPBHVSA-N 1 3 374.529 2.184 20 0 FEADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@@H](C)C1 ZINC000489757685 561418476 /nfs/dbraw/zinc/41/84/76/561418476.db2.gz UKTCJSJWCDXZDO-ZWCSJYCISA-N 1 3 350.551 2.479 20 0 FEADHO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000261620980 549735610 /nfs/dbraw/zinc/73/56/10/549735610.db2.gz GDPROUIDGLHQPN-KZNAEPCWSA-N 1 3 357.564 2.091 20 0 FEADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)C3CCOCC3)cc2)C1 ZINC000261714024 549746943 /nfs/dbraw/zinc/74/69/43/549746943.db2.gz IXLVLPJEOPYKNO-JXFKEZNVSA-N 1 3 359.514 2.289 20 0 FEADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)C3CCOCC3)cc2)C1 ZINC000261714024 549746945 /nfs/dbraw/zinc/74/69/45/549746945.db2.gz IXLVLPJEOPYKNO-JXFKEZNVSA-N 1 3 359.514 2.289 20 0 FEADHO Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262136887 549791754 /nfs/dbraw/zinc/79/17/54/549791754.db2.gz OWFLASPFYWIVLF-LJQANCHMSA-N 1 3 359.905 2.314 20 0 FEADHO O=C(NC[C@H]1CCCN(CCOc2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000262241876 549801751 /nfs/dbraw/zinc/80/17/51/549801751.db2.gz PDOOAZWKCTXNRO-QAPCUYQASA-N 1 3 365.905 2.299 20 0 FEADHO CN(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268558651 550087308 /nfs/dbraw/zinc/08/73/08/550087308.db2.gz XZPPBMFOVSKAPD-ICSRJNTNSA-N 1 3 356.514 2.387 20 0 FEADHO CN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268558651 550087309 /nfs/dbraw/zinc/08/73/09/550087309.db2.gz XZPPBMFOVSKAPD-ICSRJNTNSA-N 1 3 356.514 2.387 20 0 FEADHO CN1CCC(O)(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000268994972 550142016 /nfs/dbraw/zinc/14/20/16/550142016.db2.gz NJVYVUISQKTXKZ-UHFFFAOYSA-N 1 3 369.912 2.490 20 0 FEADHO C[C@@]1(CO)CCC[C@@H]1NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000493391771 561455874 /nfs/dbraw/zinc/45/58/74/561455874.db2.gz WTONWNJMHHFXGK-FPOVZHCZSA-N 1 3 359.514 2.039 20 0 FEADHO C[N@@H+]1CCCC[C@H]1CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271456498 550377012 /nfs/dbraw/zinc/37/70/12/550377012.db2.gz WFINBXZUFQUJSH-FCHUYYIVSA-N 1 3 356.558 2.363 20 0 FEADHO C[N@H+]1CCCC[C@H]1CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271456498 550377013 /nfs/dbraw/zinc/37/70/13/550377013.db2.gz WFINBXZUFQUJSH-FCHUYYIVSA-N 1 3 356.558 2.363 20 0 FEADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc([S@](C)=O)cc1 ZINC000271500744 550380651 /nfs/dbraw/zinc/38/06/51/550380651.db2.gz LWYUYJIHTKDRSO-XIUXGDNYSA-N 1 3 350.528 2.452 20 0 FEADHO CN1CCN(CCCNC(=O)CC2CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC000273219280 550490172 /nfs/dbraw/zinc/49/01/72/550490172.db2.gz OUNYCNZXXJISEV-NRFANRHFSA-N 1 3 372.557 2.213 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)CC[C@@H]2CCC[NH2+]2)cc1)[C@H]1CCCN(C)C1 ZINC000494652995 561473423 /nfs/dbraw/zinc/47/34/23/561473423.db2.gz JWUTZZQIHIXZLN-HKUYNNGSSA-N 1 3 372.513 2.324 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)CC[C@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000494656559 561473686 /nfs/dbraw/zinc/47/36/86/561473686.db2.gz VVOSOWGMZAHNII-ZHALLVOQSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1(F)F ZINC000494835898 561477456 /nfs/dbraw/zinc/47/74/56/561477456.db2.gz KXCSRIZXVUQAJP-CQSZACIVSA-N 1 3 358.477 2.232 20 0 FEADHO CCC[NH+](CCC)CCCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000494875782 561478385 /nfs/dbraw/zinc/47/83/85/561478385.db2.gz CMTPPAHPNXUDAR-SFHVURJKSA-N 1 3 368.566 2.393 20 0 FEADHO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000494923802 561479405 /nfs/dbraw/zinc/47/94/05/561479405.db2.gz OEFUGZWESNILMN-FQEVSTJZSA-N 1 3 372.557 2.231 20 0 FEADHO C[C@H](NC(C)(C)CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000278651489 550808257 /nfs/dbraw/zinc/80/82/57/550808257.db2.gz AMFULXIZAZRZNK-HOCLYGCPSA-N 1 3 355.486 2.346 20 0 FEADHO O=C(NC1CCN(C2CC2)CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280055845 550956735 /nfs/dbraw/zinc/95/67/35/550956735.db2.gz UBPHLQVTXWLWMO-KDURUIRLSA-N 1 3 368.525 2.387 20 0 FEADHO O=C(NC1CCN(C2CC2)CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280055845 550956736 /nfs/dbraw/zinc/95/67/36/550956736.db2.gz UBPHLQVTXWLWMO-KDURUIRLSA-N 1 3 368.525 2.387 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CO[C@H]1CCCC[C@@H]1C ZINC000498167661 561517574 /nfs/dbraw/zinc/51/75/74/561517574.db2.gz VPLHATYOCDLBMO-OTWHNJEPSA-N 1 3 353.551 2.456 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CO[C@H]1CCCC[C@@H]1C ZINC000498167661 561517575 /nfs/dbraw/zinc/51/75/75/561517575.db2.gz VPLHATYOCDLBMO-OTWHNJEPSA-N 1 3 353.551 2.456 20 0 FEADHO C[NH+](C)CCOC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000498326965 561522153 /nfs/dbraw/zinc/52/21/53/561522153.db2.gz VGPCXMXIYHJECY-UHFFFAOYSA-N 1 3 359.514 2.465 20 0 FEADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccccc1-n1ccnn1 ZINC000285961652 551832194 /nfs/dbraw/zinc/83/21/94/551832194.db2.gz FNGKMYNMUOTNBF-MRXNPFEDSA-N 1 3 366.469 2.454 20 0 FEADHO CC[NH+](CC)CCOc1cc(NC(=O)N[C@@H](C)CN(C)C)ccc1OC ZINC000286879269 551936079 /nfs/dbraw/zinc/93/60/79/551936079.db2.gz DEWKYDRMWIQNMU-HNNXBMFYSA-N 1 3 366.506 2.487 20 0 FEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000290063370 552422100 /nfs/dbraw/zinc/42/21/00/552422100.db2.gz HUVBLRLAZCCBGI-NJYVYQBISA-N 1 3 373.541 2.182 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000292654431 552746625 /nfs/dbraw/zinc/74/66/25/552746625.db2.gz QJNCAOMPSRVGED-UWJYYQICSA-N 1 3 371.529 2.344 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000292654431 552746626 /nfs/dbraw/zinc/74/66/26/552746626.db2.gz QJNCAOMPSRVGED-UWJYYQICSA-N 1 3 371.529 2.344 20 0 FEADHO COc1cc(CN2CC[C@H](C)[C@@H]2CO)cc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c1 ZINC000292975424 552776647 /nfs/dbraw/zinc/77/66/47/552776647.db2.gz QLGVZCZDLSLZFN-LRGYGIHKSA-N 1 3 362.514 2.101 20 0 FEADHO COc1cc(CN2CC[C@H](C)[C@@H]2CO)cc(C[N@H+]2CC[C@H](C)[C@@H]2CO)c1 ZINC000292975424 552776648 /nfs/dbraw/zinc/77/66/48/552776648.db2.gz QLGVZCZDLSLZFN-LRGYGIHKSA-N 1 3 362.514 2.101 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](CO)CC1 ZINC000293001274 552778956 /nfs/dbraw/zinc/77/89/56/552778956.db2.gz CVNVOYCAVPCRQS-UYAOXDASSA-N 1 3 373.541 2.250 20 0 FEADHO CC[N@@H+]1CC[C@H]2OCCN(C[C@H]3CN(Cc4ccccc4)CCCO3)[C@H]2C1 ZINC000293187412 552797210 /nfs/dbraw/zinc/79/72/10/552797210.db2.gz HRJVCOQGRAHUDP-BHIFYINESA-N 1 3 373.541 2.073 20 0 FEADHO CC[N@H+]1CC[C@H]2OCCN(C[C@H]3CN(Cc4ccccc4)CCCO3)[C@H]2C1 ZINC000293187412 552797211 /nfs/dbraw/zinc/79/72/11/552797211.db2.gz HRJVCOQGRAHUDP-BHIFYINESA-N 1 3 373.541 2.073 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)cc2)CC1 ZINC000293974260 552872255 /nfs/dbraw/zinc/87/22/55/552872255.db2.gz UYYBOUDROIGUBA-QFIPXVFZSA-N 1 3 370.541 2.385 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)cc2)CC1 ZINC000293974260 552872256 /nfs/dbraw/zinc/87/22/56/552872256.db2.gz UYYBOUDROIGUBA-QFIPXVFZSA-N 1 3 370.541 2.385 20 0 FEADHO C[C@@H](O)[C@H]1CCN(Cc2cc(C[N@H+]3CC[C@@H]([C@H](C)O)C3)ccc2F)C1 ZINC000295065855 552955429 /nfs/dbraw/zinc/95/54/29/552955429.db2.gz VVSYKHLAYQSXAV-IDCNUPLLSA-N 1 3 350.478 2.231 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296478655 553166758 /nfs/dbraw/zinc/16/67/58/553166758.db2.gz XGYMBBCOHYJISQ-UHFFFAOYSA-N 1 3 374.529 2.443 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000296926922 553230838 /nfs/dbraw/zinc/23/08/38/553230838.db2.gz GDKPNGOHBYHJNS-AYHJJNSGSA-N 1 3 360.502 2.051 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000296926922 553230840 /nfs/dbraw/zinc/23/08/40/553230840.db2.gz GDKPNGOHBYHJNS-AYHJJNSGSA-N 1 3 360.502 2.051 20 0 FEADHO C[C@@H]1CN(c2ccccc2C[NH2+]CCN2CCN(C)C(C)(C)C2)CCO1 ZINC000298204422 553397998 /nfs/dbraw/zinc/39/79/98/553397998.db2.gz YHGFTVHQUWDOCI-GOSISDBHSA-N 1 3 360.546 2.027 20 0 FEADHO COc1cccc(C(=O)NCC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298246671 553403113 /nfs/dbraw/zinc/40/31/13/553403113.db2.gz CZQGHLQLMVRAND-UHFFFAOYSA-N 1 3 354.454 2.079 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1noc2ccccc21 ZINC000299729231 553608561 /nfs/dbraw/zinc/60/85/61/553608561.db2.gz VSIRYUYMTIVGPP-INIZCTEOSA-N 1 3 358.486 2.245 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1noc2ccccc21 ZINC000299729231 553608563 /nfs/dbraw/zinc/60/85/63/553608563.db2.gz VSIRYUYMTIVGPP-INIZCTEOSA-N 1 3 358.486 2.245 20 0 FEADHO CN1CCN(CC2(C)CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000504765303 561661963 /nfs/dbraw/zinc/66/19/63/561661963.db2.gz NSVOXSZGPRUDCS-LJQANCHMSA-N 1 3 364.578 2.127 20 0 FEADHO CN1CCN(CC2(C)CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000504765303 561661964 /nfs/dbraw/zinc/66/19/64/561661964.db2.gz NSVOXSZGPRUDCS-LJQANCHMSA-N 1 3 364.578 2.127 20 0 FEADHO CCC[C@@H]1C[C@@H](C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)CCO1 ZINC000506176853 561692423 /nfs/dbraw/zinc/69/24/23/561692423.db2.gz YTGZLDGILYLUTP-IPMKNSEASA-N 1 3 353.551 2.456 20 0 FEADHO CCC[C@@H]1C[C@@H](C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)CCO1 ZINC000506176853 561692424 /nfs/dbraw/zinc/69/24/24/561692424.db2.gz YTGZLDGILYLUTP-IPMKNSEASA-N 1 3 353.551 2.456 20 0 FEADHO C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331195681 554228719 /nfs/dbraw/zinc/22/87/19/554228719.db2.gz NKJVVRIRYVYZCJ-CVEARBPZSA-N 1 3 353.532 2.147 20 0 FEADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCNc1cc[nH+]cc1)N(C)C ZINC000508849287 561775198 /nfs/dbraw/zinc/77/51/98/561775198.db2.gz QNCOZZJPULDFME-VQIMIIECSA-N 1 3 355.486 2.214 20 0 FEADHO [NH3+]C1CCN(CCCC(=O)N2CCNC[C@H]2c2cccc(Cl)c2)CC1 ZINC000510374649 561832936 /nfs/dbraw/zinc/83/29/36/561832936.db2.gz ONPFRPICNKYQFU-SFHVURJKSA-N 1 3 364.921 2.016 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)c(C)c2)CC1 ZINC000333189127 554586012 /nfs/dbraw/zinc/58/60/12/554586012.db2.gz UMXWLYMXLLGMHZ-ZWKOTPCHSA-N 1 3 371.529 2.210 20 0 FEADHO C[C@H]1CN(C(=O)NCC2(N3CCSCC3)CCCCC2)CC[C@@H]1[NH3+] ZINC000333401748 554609657 /nfs/dbraw/zinc/60/96/57/554609657.db2.gz QASRZLZEIHHXTG-HOTGVXAUSA-N 1 3 354.564 2.117 20 0 FEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333760291 554640156 /nfs/dbraw/zinc/64/01/56/554640156.db2.gz CMYKKDFLMUOANW-LZQZEXGQSA-N 1 3 351.535 2.384 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](N(C)Cc3ccccn3)CC2)CC[NH2+]1 ZINC000333772938 554641923 /nfs/dbraw/zinc/64/19/23/554641923.db2.gz CITPCULAJPRQQQ-ZHALLVOQSA-N 1 3 359.518 2.218 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000333819740 554646369 /nfs/dbraw/zinc/64/63/69/554646369.db2.gz KSJVSUADJASTNP-NZSAHSFTSA-N 1 3 359.518 2.076 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000361501930 554922238 /nfs/dbraw/zinc/92/22/38/554922238.db2.gz BPBZEUXVQIACEX-WDSOQIARSA-N 1 3 357.498 2.183 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000361501930 554922240 /nfs/dbraw/zinc/92/22/40/554922240.db2.gz BPBZEUXVQIACEX-WDSOQIARSA-N 1 3 357.498 2.183 20 0 FEADHO COCC[N@H+](C)CCCNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000363250276 555063430 /nfs/dbraw/zinc/06/34/30/555063430.db2.gz LPOMCVRNUSXTRS-RDJZCZTQSA-N 1 3 368.547 2.008 20 0 FEADHO COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000363250276 555063432 /nfs/dbraw/zinc/06/34/32/555063432.db2.gz LPOMCVRNUSXTRS-RDJZCZTQSA-N 1 3 368.547 2.008 20 0 FEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000511924192 561885822 /nfs/dbraw/zinc/88/58/22/561885822.db2.gz TZJZLPUKPQDNEB-HKUYNNGSSA-N 1 3 362.518 2.472 20 0 FEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000511924192 561885824 /nfs/dbraw/zinc/88/58/24/561885824.db2.gz TZJZLPUKPQDNEB-HKUYNNGSSA-N 1 3 362.518 2.472 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000512512046 561908121 /nfs/dbraw/zinc/90/81/21/561908121.db2.gz PRBYCDBZTLIZFY-RTBURBONSA-N 1 3 374.529 2.096 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000512512046 561908122 /nfs/dbraw/zinc/90/81/22/561908122.db2.gz PRBYCDBZTLIZFY-RTBURBONSA-N 1 3 374.529 2.096 20 0 FEADHO CN(C)Cc1ccccc1CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365684462 555640412 /nfs/dbraw/zinc/64/04/12/555640412.db2.gz RVPKBCKUVJYSQI-UHFFFAOYSA-N 1 3 369.513 2.361 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CC(C(F)(F)F)C1 ZINC000513363014 561935401 /nfs/dbraw/zinc/93/54/01/561935401.db2.gz GLMKPPHTODAKEM-NRXISQOPSA-N 1 3 364.456 2.385 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CC(C(F)(F)F)C1 ZINC000513363014 561935403 /nfs/dbraw/zinc/93/54/03/561935403.db2.gz GLMKPPHTODAKEM-NRXISQOPSA-N 1 3 364.456 2.385 20 0 FEADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)[C@H]1C ZINC000366304599 555807450 /nfs/dbraw/zinc/80/74/50/555807450.db2.gz HZIQUAZTRIXAKK-BXWFABGCSA-N 1 3 351.535 2.112 20 0 FEADHO COC1(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000366329358 555813677 /nfs/dbraw/zinc/81/36/77/555813677.db2.gz NWVRVFGCHCTEQL-RDJZCZTQSA-N 1 3 365.905 2.218 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000367021024 555999126 /nfs/dbraw/zinc/99/91/26/555999126.db2.gz PESQNKCZPFGPAJ-NQIIRXRSSA-N 1 3 353.514 2.330 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000367021024 555999128 /nfs/dbraw/zinc/99/91/28/555999128.db2.gz PESQNKCZPFGPAJ-NQIIRXRSSA-N 1 3 353.514 2.330 20 0 FEADHO C[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367021024 555999129 /nfs/dbraw/zinc/99/91/29/555999129.db2.gz PESQNKCZPFGPAJ-NQIIRXRSSA-N 1 3 353.514 2.330 20 0 FEADHO COCC[NH2+]C1CCN(Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000514729517 561976555 /nfs/dbraw/zinc/97/65/55/561976555.db2.gz JWMIDKRUVRJSER-UHFFFAOYSA-N 1 3 374.573 2.417 20 0 FEADHO CN(C[C@@H](O)Cc1cccc(Cl)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367849748 556154258 /nfs/dbraw/zinc/15/42/58/556154258.db2.gz QEVNXKVFESKNEN-UXHICEINSA-N 1 3 365.949 2.344 20 0 FEADHO CN(C[C@@H](O)Cc1cccc(Cl)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367849748 556154261 /nfs/dbraw/zinc/15/42/61/556154261.db2.gz QEVNXKVFESKNEN-UXHICEINSA-N 1 3 365.949 2.344 20 0 FEADHO CC[N@@H+]1CC[C@H](NC[C@@H](c2cccs2)N2CCN(C)CC2)[C@@H](C)C1 ZINC000531932272 562461901 /nfs/dbraw/zinc/46/19/01/562461901.db2.gz AZQADVCYCHRERA-BZSNNMDCSA-N 1 3 350.576 2.357 20 0 FEADHO CC[N@H+]1CC[C@H](NC[C@@H](c2cccs2)N2CCN(C)CC2)[C@@H](C)C1 ZINC000531932272 562461902 /nfs/dbraw/zinc/46/19/02/562461902.db2.gz AZQADVCYCHRERA-BZSNNMDCSA-N 1 3 350.576 2.357 20 0 FEADHO CCN1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)[C@@H](C)C1 ZINC000531932272 562461903 /nfs/dbraw/zinc/46/19/03/562461903.db2.gz AZQADVCYCHRERA-BZSNNMDCSA-N 1 3 350.576 2.357 20 0 FEADHO CN1CCN(CCC[NH2+][C@@H]2C[C@@H](C3CC3)N(Cc3ccccc3)C2)CC1 ZINC000367894198 556166829 /nfs/dbraw/zinc/16/68/29/556166829.db2.gz BNQWIKVGYICGEU-YADHBBJMSA-N 1 3 356.558 2.267 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000515047674 561993646 /nfs/dbraw/zinc/99/36/46/561993646.db2.gz HQSUPLMARIFNAC-MSOLQXFVSA-N 1 3 372.513 2.196 20 0 FEADHO CC(C)N(C(=O)[C@@H](C)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C(C)C ZINC000368334794 556280734 /nfs/dbraw/zinc/28/07/34/556280734.db2.gz WSOQOAUAFXIDHW-LJQANCHMSA-N 1 3 366.594 2.370 20 0 FEADHO CCC[NH+]1CCN(C2CCN(C(=O)[C@H](c3ccccc3)N(C)C)CC2)CC1 ZINC000369156785 556520333 /nfs/dbraw/zinc/52/03/33/556520333.db2.gz IYGFRQJKYRKNMZ-NRFANRHFSA-N 1 3 372.557 2.308 20 0 FEADHO C[C@H](CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)C[NH+]1CCCC1 ZINC000369200174 556533931 /nfs/dbraw/zinc/53/39/31/556533931.db2.gz FWHKYPFUOYBOSC-QUCCMNQESA-N 1 3 373.545 2.325 20 0 FEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369393059 556588509 /nfs/dbraw/zinc/58/85/09/556588509.db2.gz CADPVUPLRDAJTR-AKHDSKFASA-N 1 3 366.550 2.049 20 0 FEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369393059 556588511 /nfs/dbraw/zinc/58/85/11/556588511.db2.gz CADPVUPLRDAJTR-AKHDSKFASA-N 1 3 366.550 2.049 20 0 FEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369393078 556588871 /nfs/dbraw/zinc/58/88/71/556588871.db2.gz CADPVUPLRDAJTR-NCXUSEDFSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369393078 556588873 /nfs/dbraw/zinc/58/88/73/556588873.db2.gz CADPVUPLRDAJTR-NCXUSEDFSA-N 1 3 366.550 2.049 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000369581969 556638369 /nfs/dbraw/zinc/63/83/69/556638369.db2.gz JSPWDWAMSJHALO-FQEVSTJZSA-N 1 3 356.514 2.315 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000369581969 556638371 /nfs/dbraw/zinc/63/83/71/556638371.db2.gz JSPWDWAMSJHALO-FQEVSTJZSA-N 1 3 356.514 2.315 20 0 FEADHO CO[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000516261650 562037984 /nfs/dbraw/zinc/03/79/84/562037984.db2.gz XJXUWMYUTPLMOA-SLFFLAALSA-N 1 3 374.529 2.189 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000369782317 556693396 /nfs/dbraw/zinc/69/33/96/556693396.db2.gz CSWSLUGXNRJTOP-MRXNPFEDSA-N 1 3 360.502 2.465 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1(C)C ZINC000369814532 556703109 /nfs/dbraw/zinc/70/31/09/556703109.db2.gz QUZLBBBBEOMTNQ-WAOWUJCRSA-N 1 3 359.514 2.252 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1(C)C ZINC000369814532 556703110 /nfs/dbraw/zinc/70/31/10/556703110.db2.gz QUZLBBBBEOMTNQ-WAOWUJCRSA-N 1 3 359.514 2.252 20 0 FEADHO CN(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000369856972 556713633 /nfs/dbraw/zinc/71/36/33/556713633.db2.gz DVXYEBGKOCZLFN-UMGGQSCQSA-N 1 3 356.514 2.482 20 0 FEADHO CN(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000369856972 556713634 /nfs/dbraw/zinc/71/36/34/556713634.db2.gz DVXYEBGKOCZLFN-UMGGQSCQSA-N 1 3 356.514 2.482 20 0 FEADHO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000370120783 556786387 /nfs/dbraw/zinc/78/63/87/556786387.db2.gz KBEGXHXPGLEATP-ROUUACIJSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@H]1CCC[N@H+]1C1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000370120783 556786388 /nfs/dbraw/zinc/78/63/88/556786388.db2.gz KBEGXHXPGLEATP-ROUUACIJSA-N 1 3 366.550 2.146 20 0 FEADHO CC(C)CC(=O)N1CCC(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000370177307 556803872 /nfs/dbraw/zinc/80/38/72/556803872.db2.gz YBZXQYHRAINKOZ-SLFFLAALSA-N 1 3 365.562 2.455 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000370303796 556835218 /nfs/dbraw/zinc/83/52/18/556835218.db2.gz VBBQDUQGISECEO-HOJAQTOUSA-N 1 3 373.545 2.275 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000370303796 556835222 /nfs/dbraw/zinc/83/52/22/556835222.db2.gz VBBQDUQGISECEO-HOJAQTOUSA-N 1 3 373.545 2.275 20 0 FEADHO CCN1CCc2c(cccc2NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)C1 ZINC000370710242 556946176 /nfs/dbraw/zinc/94/61/76/556946176.db2.gz VZPVUVIDSARBAH-KRWDZBQOSA-N 1 3 374.529 2.096 20 0 FEADHO C[C@@H]1C[C@H](CNC(=O)N2CCN3CCC[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000371000653 557041529 /nfs/dbraw/zinc/04/15/29/557041529.db2.gz XFEMMHDPOYNHEJ-RLLQIKCJSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1C[C@H](CNC(=O)N2CCN3CCC[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000371000653 557041531 /nfs/dbraw/zinc/04/15/31/557041531.db2.gz XFEMMHDPOYNHEJ-RLLQIKCJSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000371336476 557150778 /nfs/dbraw/zinc/15/07/78/557150778.db2.gz PKSUWWILONGOMI-MNEFBYGVSA-N 1 3 351.922 2.331 20 0 FEADHO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000371336476 557150776 /nfs/dbraw/zinc/15/07/76/557150776.db2.gz PKSUWWILONGOMI-MNEFBYGVSA-N 1 3 351.922 2.331 20 0 FEADHO CS[C@@H]1CN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)C[C@H]1N(C)C ZINC000371353904 557157845 /nfs/dbraw/zinc/15/78/45/557157845.db2.gz KEOSISMPBMBNAQ-QZTJIDSGSA-N 1 3 362.543 2.110 20 0 FEADHO C[C@@H]1CN(Cc2cc3ccccc3[nH]c2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372329660 557441224 /nfs/dbraw/zinc/44/12/24/557441224.db2.gz COYKQRGQXYFMCA-UZLBHIALSA-N 1 3 354.498 2.398 20 0 FEADHO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372369209 557451946 /nfs/dbraw/zinc/45/19/46/557451946.db2.gz LUJNVFWXOKUGFA-JYBIWHBTSA-N 1 3 364.578 2.170 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372369212 557452075 /nfs/dbraw/zinc/45/20/75/557452075.db2.gz LUJNVFWXOKUGFA-UMGGQSCQSA-N 1 3 364.578 2.170 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000372387031 557456867 /nfs/dbraw/zinc/45/68/67/557456867.db2.gz NONFNXUNCVCDIM-NEWSRXKRSA-N 1 3 359.518 2.106 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000372387031 557456868 /nfs/dbraw/zinc/45/68/68/557456868.db2.gz NONFNXUNCVCDIM-NEWSRXKRSA-N 1 3 359.518 2.106 20 0 FEADHO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cccc(OCCN(C)C)c1 ZINC000372781263 557561181 /nfs/dbraw/zinc/56/11/81/557561181.db2.gz MTEKQBWYTKRSBT-AEFFLSMTSA-N 1 3 357.502 2.290 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)CC1 ZINC000373191471 557647377 /nfs/dbraw/zinc/64/73/77/557647377.db2.gz QNIDZWQKOIIYMW-RTBURBONSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H](CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000373264314 557661510 /nfs/dbraw/zinc/66/15/10/557661510.db2.gz OYEXNIWQEUTKOC-ZWKOTPCHSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373438541 557693548 /nfs/dbraw/zinc/69/35/48/557693548.db2.gz FSSZXKDLNYIIHU-YVWKXTFCSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373438541 557693549 /nfs/dbraw/zinc/69/35/49/557693549.db2.gz FSSZXKDLNYIIHU-YVWKXTFCSA-N 1 3 356.514 2.290 20 0 FEADHO CN1CCN(CC[NH2+]C2CCN(Cc3cccs3)CC2)CC1(C)C ZINC000374230616 557847474 /nfs/dbraw/zinc/84/74/74/557847474.db2.gz OPAVQHZKISRMTM-UHFFFAOYSA-N 1 3 350.576 2.328 20 0 FEADHO CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374298479 557860876 /nfs/dbraw/zinc/86/08/76/557860876.db2.gz VQTMJPMEAFCWNL-JKSUJKDBSA-N 1 3 364.534 2.053 20 0 FEADHO CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374298479 557860879 /nfs/dbraw/zinc/86/08/79/557860879.db2.gz VQTMJPMEAFCWNL-JKSUJKDBSA-N 1 3 364.534 2.053 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)cc2)CC1 ZINC000374434930 557883721 /nfs/dbraw/zinc/88/37/21/557883721.db2.gz HRONSIAJIJYHIM-OAQYLSRUSA-N 1 3 370.541 2.433 20 0 FEADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1cc(C(N)=O)ccc1CN(C)C ZINC000375718166 558072049 /nfs/dbraw/zinc/07/20/49/558072049.db2.gz JPBJVSJACOKWKW-LZQZEXGQSA-N 1 3 374.529 2.148 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1cc(C(N)=O)ccc1CN(C)C ZINC000375718166 558072050 /nfs/dbraw/zinc/07/20/50/558072050.db2.gz JPBJVSJACOKWKW-LZQZEXGQSA-N 1 3 374.529 2.148 20 0 FEADHO CC(C)[C@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)N1CCCCC1 ZINC000521491136 562177541 /nfs/dbraw/zinc/17/75/41/562177541.db2.gz JYPFWYLUOYKICB-GOSISDBHSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000376094143 558126328 /nfs/dbraw/zinc/12/63/28/558126328.db2.gz JLTGBNREIGKGFO-MSOLQXFVSA-N 1 3 366.550 2.003 20 0 FEADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000521665492 562181712 /nfs/dbraw/zinc/18/17/12/562181712.db2.gz DWMDVNSXAGSWER-XUVXKRRUSA-N 1 3 358.530 2.462 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000522077544 562191115 /nfs/dbraw/zinc/19/11/15/562191115.db2.gz MFDULDFVVSEQNK-RTBURBONSA-N 1 3 368.566 2.153 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000522317554 562196925 /nfs/dbraw/zinc/19/69/25/562196925.db2.gz SXKMUUAPXRJMCL-SFHVURJKSA-N 1 3 368.566 2.393 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000522317554 562196926 /nfs/dbraw/zinc/19/69/26/562196926.db2.gz SXKMUUAPXRJMCL-SFHVURJKSA-N 1 3 368.566 2.393 20 0 FEADHO NS(=O)(=O)c1ccc2c(c1)[C@@H](NCCCC[NH+]1CCCC1)CCC2 ZINC000377803254 558422781 /nfs/dbraw/zinc/42/27/81/558422781.db2.gz UHBRINKCOYUYBK-SFHVURJKSA-N 1 3 351.516 2.177 20 0 FEADHO CN1CCN(C2(CNC(=O)c3ccc(C[NH3+])cc3)CCCCCC2)CC1 ZINC000378204383 558502337 /nfs/dbraw/zinc/50/23/37/558502337.db2.gz UOSYECVJNUTSNP-UHFFFAOYSA-N 1 3 358.530 2.216 20 0 FEADHO CCOc1ccc(OCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000378316563 558528177 /nfs/dbraw/zinc/52/81/77/558528177.db2.gz KEAVNHQSSZJJRC-RXVVDRJESA-N 1 3 361.530 2.422 20 0 FEADHO CCOc1ccc(OCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000378316563 558528180 /nfs/dbraw/zinc/52/81/80/558528180.db2.gz KEAVNHQSSZJJRC-RXVVDRJESA-N 1 3 361.530 2.422 20 0 FEADHO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000391012661 558613017 /nfs/dbraw/zinc/61/30/17/558613017.db2.gz WZMGJXDLQYWYOP-MOPGFXCFSA-N 1 3 359.514 2.172 20 0 FEADHO C[C@H](CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000391031019 558613352 /nfs/dbraw/zinc/61/33/52/558613352.db2.gz WCCXIPHNUZYVER-HMXCVIKNSA-N 1 3 373.541 2.420 20 0 FEADHO CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)[C@H]3CN4CCC3CC4)cc2)CC1 ZINC000524694341 562232276 /nfs/dbraw/zinc/23/22/76/562232276.db2.gz JLXRTRGVKSDODZ-NRFANRHFSA-N 1 3 370.541 2.383 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@@H](CC(C)C)N(C)C)ccc1C[NH+](C)C ZINC000411144049 558844601 /nfs/dbraw/zinc/84/46/01/558844601.db2.gz RSPHTHOQXOIDAV-GOSISDBHSA-N 1 3 362.518 2.088 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)C[C@H]1C ZINC000411296665 558871203 /nfs/dbraw/zinc/87/12/03/558871203.db2.gz KWJHNTIFKRJDJJ-APWZRJJASA-N 1 3 374.529 2.326 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)C[C@H]1C ZINC000411296665 558871204 /nfs/dbraw/zinc/87/12/04/558871204.db2.gz KWJHNTIFKRJDJJ-APWZRJJASA-N 1 3 374.529 2.326 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)ccc1CN(C)C ZINC000411556239 558916473 /nfs/dbraw/zinc/91/64/73/558916473.db2.gz AMZQNSLELPMZJP-UHFFFAOYSA-N 1 3 374.529 2.377 20 0 FEADHO COc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1F ZINC000414189335 559152305 /nfs/dbraw/zinc/15/23/05/559152305.db2.gz JOHPBAVIEWUANS-INIZCTEOSA-N 1 3 365.493 2.282 20 0 FEADHO CCC[NH+]1CCN(c2ccccc2CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)CC1 ZINC000527053990 562274848 /nfs/dbraw/zinc/27/48/48/562274848.db2.gz XYORBDLPFWXUBB-DSKINZAPSA-N 1 3 370.541 2.304 20 0 FEADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414686132 559179445 /nfs/dbraw/zinc/17/94/45/559179445.db2.gz FKWRVVNMUHIBAB-HOTGVXAUSA-N 1 3 372.513 2.103 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414686137 559179490 /nfs/dbraw/zinc/17/94/90/559179490.db2.gz FKWRVVNMUHIBAB-IYBDPMFKSA-N 1 3 372.513 2.103 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414686137 559179491 /nfs/dbraw/zinc/17/94/91/559179491.db2.gz FKWRVVNMUHIBAB-IYBDPMFKSA-N 1 3 372.513 2.103 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000414693551 559180432 /nfs/dbraw/zinc/18/04/32/559180432.db2.gz CEENJPFUSCHBOF-CVEARBPZSA-N 1 3 360.502 2.114 20 0 FEADHO C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)CCN1Cc1ccccc1 ZINC000414696460 559180482 /nfs/dbraw/zinc/18/04/82/559180482.db2.gz PJJBJUAWBLSROE-HMXCVIKNSA-N 1 3 372.557 2.169 20 0 FEADHO C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)CCN1Cc1ccccc1 ZINC000414696460 559180483 /nfs/dbraw/zinc/18/04/83/559180483.db2.gz PJJBJUAWBLSROE-HMXCVIKNSA-N 1 3 372.557 2.169 20 0 FEADHO C[C@H]1C[C@@H](CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414740993 559183821 /nfs/dbraw/zinc/18/38/21/559183821.db2.gz ROOQFDBMWHBAOO-HOTGVXAUSA-N 1 3 364.921 2.284 20 0 FEADHO C[C@@H]1C[C@@H](CN2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)CC[NH2+]1 ZINC000414742639 559183991 /nfs/dbraw/zinc/18/39/91/559183991.db2.gz IISOKGXSSDOMSO-CVEARBPZSA-N 1 3 361.921 2.493 20 0 FEADHO Cc1ccc(-n2cc(CNCCN3CC[NH2+]CC3)c(C(C)(C)C)n2)cc1 ZINC000414871818 559192157 /nfs/dbraw/zinc/19/21/57/559192157.db2.gz VPKZOHNDWNKHJH-UHFFFAOYSA-N 1 3 355.530 2.473 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000415031141 559201397 /nfs/dbraw/zinc/20/13/97/559201397.db2.gz GNHHRHOOCRVVNZ-RDJZCZTQSA-N 1 3 372.513 2.114 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000415031141 559201398 /nfs/dbraw/zinc/20/13/98/559201398.db2.gz GNHHRHOOCRVVNZ-RDJZCZTQSA-N 1 3 372.513 2.114 20 0 FEADHO C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415065667 559203411 /nfs/dbraw/zinc/20/34/11/559203411.db2.gz HECOSVRNPJIRLJ-GOSISDBHSA-N 1 3 362.543 2.494 20 0 FEADHO COc1ccccc1SC[C@@H](C)C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415074661 559204194 /nfs/dbraw/zinc/20/41/94/559204194.db2.gz DBMBLVKWCAAGEY-JKSUJKDBSA-N 1 3 365.543 2.210 20 0 FEADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415085464 559204559 /nfs/dbraw/zinc/20/45/59/559204559.db2.gz SMRRTOOJJSFNKW-UKRRQHHQSA-N 1 3 357.420 2.423 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)C1 ZINC000415116088 559206040 /nfs/dbraw/zinc/20/60/40/559206040.db2.gz YYDMTUMOYMLPNR-YLJYHZDGSA-N 1 3 359.514 2.067 20 0 FEADHO C[C@H](CCN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000415146985 559209096 /nfs/dbraw/zinc/20/90/96/559209096.db2.gz ZYHYTNUHCIWOIM-NSISKUIASA-N 1 3 356.514 2.400 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H](N)c2ccccc2)cc1 ZINC000415399035 559231355 /nfs/dbraw/zinc/23/13/55/559231355.db2.gz XUWYLTRRRFCVJC-LJQANCHMSA-N 1 3 368.481 2.283 20 0 FEADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000415444218 559237507 /nfs/dbraw/zinc/23/75/07/559237507.db2.gz OGROILXKQGZVRB-FUHWJXTLSA-N 1 3 372.513 2.197 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(N)ccc1F ZINC000415908704 559282078 /nfs/dbraw/zinc/28/20/78/559282078.db2.gz VILMBHTWZIRSQY-HNNXBMFYSA-N 1 3 351.470 2.288 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(N)ccc1F ZINC000415908704 559282079 /nfs/dbraw/zinc/28/20/79/559282079.db2.gz VILMBHTWZIRSQY-HNNXBMFYSA-N 1 3 351.470 2.288 20 0 FEADHO CN(C)[C@@H](CNC(=O)Nc1ccc(OCC[NH3+])cc1)Cc1ccccc1 ZINC000415960138 559285122 /nfs/dbraw/zinc/28/51/22/559285122.db2.gz NQYRHRCBJUVISW-GOSISDBHSA-N 1 3 356.470 2.319 20 0 FEADHO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC000415995787 559287952 /nfs/dbraw/zinc/28/79/52/559287952.db2.gz LQARMCOHVCARON-GOSISDBHSA-N 1 3 370.453 2.235 20 0 FEADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000416005739 559288827 /nfs/dbraw/zinc/28/88/27/559288827.db2.gz KDIJUTBIWITRBI-OAHLLOKOSA-N 1 3 360.424 2.348 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NCC2=CC[NH2+]CC2)N2CCCC2)cc1 ZINC000416813399 559333474 /nfs/dbraw/zinc/33/34/74/559333474.db2.gz FFVCNKKKQRUDFH-LJQANCHMSA-N 1 3 358.486 2.051 20 0 FEADHO CN(C)[C@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)Cc1ccccc1 ZINC000416833174 559334352 /nfs/dbraw/zinc/33/43/52/559334352.db2.gz JETROTBBXQNDKE-NRFANRHFSA-N 1 3 368.525 2.372 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416974004 559341271 /nfs/dbraw/zinc/34/12/71/559341271.db2.gz KONOOVNRITVREF-AZUAARDMSA-N 1 3 356.514 2.087 20 0 FEADHO CCCN(C(=O)NC1CCN(CCc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000416975869 559341342 /nfs/dbraw/zinc/34/13/42/559341342.db2.gz NGUMKIJBMRBTOJ-HXUWFJFHSA-N 1 3 358.530 2.477 20 0 FEADHO CO[C@H]1CCN(C(=O)NC2CCN(Cc3ccccc3C)CC2)[C@@H](C[NH3+])C1 ZINC000416980400 559341858 /nfs/dbraw/zinc/34/18/58/559341858.db2.gz UBFJGHOOHBILKF-UXHICEINSA-N 1 3 374.529 2.107 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000416984195 559342046 /nfs/dbraw/zinc/34/20/46/559342046.db2.gz XWIJDKDWJURHQB-FQEVSTJZSA-N 1 3 356.514 2.495 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N2C[C@H](C)NC[C@@H]2C)cc1 ZINC000416989326 559342357 /nfs/dbraw/zinc/34/23/57/559342357.db2.gz MEQRJNIOIUMEGF-IRXDYDNUSA-N 1 3 362.518 2.299 20 0 FEADHO COCC1(CNC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC[NH2+]CC1 ZINC000417216332 559353479 /nfs/dbraw/zinc/35/34/79/559353479.db2.gz BAXDTZKXPDOCEH-IEBWSBKVSA-N 1 3 374.529 2.137 20 0 FEADHO C[NH2+]C[C@H]1CCCN1C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000417330405 559357844 /nfs/dbraw/zinc/35/78/44/559357844.db2.gz KXDHVKHXSHLURZ-LJQANCHMSA-N 1 3 374.529 2.301 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N[C@@H](C)CCC[NH3+])CC2)cc1 ZINC000417329810 559357899 /nfs/dbraw/zinc/35/78/99/559357899.db2.gz JYFYIKGWDSZBTL-INIZCTEOSA-N 1 3 362.518 2.334 20 0 FEADHO C[NH2+][C@H]1CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000417375113 559359763 /nfs/dbraw/zinc/35/97/63/559359763.db2.gz BKQFWLGEKHPWHH-INIZCTEOSA-N 1 3 350.532 2.354 20 0 FEADHO CCN(CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000417430300 559361929 /nfs/dbraw/zinc/36/19/29/559361929.db2.gz PDMOTNXCNCMVQJ-QAPCUYQASA-N 1 3 366.456 2.194 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000417519404 559365672 /nfs/dbraw/zinc/36/56/72/559365672.db2.gz VDPMJWIRIWSYEZ-NEWSRXKRSA-N 1 3 362.518 2.136 20 0 FEADHO [NH3+]C1CCC(NC(=O)NCc2ccc(OCCN3CCCC3)cc2)CC1 ZINC000417583831 559367922 /nfs/dbraw/zinc/36/79/22/559367922.db2.gz AONUKEJIVSFEBE-UHFFFAOYSA-N 1 3 360.502 2.230 20 0 FEADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000417679079 559371976 /nfs/dbraw/zinc/37/19/76/559371976.db2.gz GYLZZDLUZACTME-QFBILLFUSA-N 1 3 358.530 2.450 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)Cc2ccccc2C1 ZINC000417743422 559374895 /nfs/dbraw/zinc/37/48/95/559374895.db2.gz XAZNYTCAALPJGN-UHFFFAOYSA-N 1 3 370.541 2.261 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417833163 559378462 /nfs/dbraw/zinc/37/84/62/559378462.db2.gz UGYRZEFBHBQVDZ-AFYVEPGGSA-N 1 3 356.514 2.148 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417838312 559378679 /nfs/dbraw/zinc/37/86/79/559378679.db2.gz YCFNMKWVUPUAKK-RNQOJCNYSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1Cc1ccccc1 ZINC000417873526 559380274 /nfs/dbraw/zinc/38/02/74/559380274.db2.gz LVAOWLZUPQFTOB-FFGOWVMKSA-N 1 3 356.514 2.290 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCCNCc2cccnc2)C1 ZINC000417907507 559381609 /nfs/dbraw/zinc/38/16/09/559381609.db2.gz FLAADKKZZPWXBX-IBGZPJMESA-N 1 3 361.534 2.229 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCCNCc2cccnc2)C1 ZINC000417907507 559381610 /nfs/dbraw/zinc/38/16/10/559381610.db2.gz FLAADKKZZPWXBX-IBGZPJMESA-N 1 3 361.534 2.229 20 0 FEADHO CN1CC[C@H](NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)[C@H]1c1ccccc1 ZINC000417938314 559382750 /nfs/dbraw/zinc/38/27/50/559382750.db2.gz JKANWUMZLMERBZ-SLFFLAALSA-N 1 3 356.514 2.463 20 0 FEADHO CN(C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418098062 559390063 /nfs/dbraw/zinc/39/00/63/559390063.db2.gz APRJNCKJVXZUIA-GURQWTFNSA-N 1 3 356.514 2.433 20 0 FEADHO CCC[NH2+]CCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418103285 559390170 /nfs/dbraw/zinc/39/01/70/559390170.db2.gz IRGINXICFJYVFJ-UHFFFAOYSA-N 1 3 350.429 2.091 20 0 FEADHO CCc1ccccc1[C@@H](N)CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000418115451 559390720 /nfs/dbraw/zinc/39/07/20/559390720.db2.gz OQOWKGCISMSKMZ-LPHOPBHVSA-N 1 3 362.518 2.049 20 0 FEADHO CCc1ccccc1[C@@H](N)CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000418115451 559390721 /nfs/dbraw/zinc/39/07/21/559390721.db2.gz OQOWKGCISMSKMZ-LPHOPBHVSA-N 1 3 362.518 2.049 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CCN(CC(F)F)C2)CC1 ZINC000418129601 559391331 /nfs/dbraw/zinc/39/13/31/559391331.db2.gz DQWDEZMITQZMFK-KRWDZBQOSA-N 1 3 352.473 2.258 20 0 FEADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418158391 559392308 /nfs/dbraw/zinc/39/23/08/559392308.db2.gz PRPMOWCIWKWPMH-OTWHNJEPSA-N 1 3 356.514 2.148 20 0 FEADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000418190862 559393546 /nfs/dbraw/zinc/39/35/46/559393546.db2.gz JWSDESBFXGBQHG-HSALFYBXSA-N 1 3 358.530 2.349 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000418194639 559393569 /nfs/dbraw/zinc/39/35/69/559393569.db2.gz PDUKUKWNAHZWPD-MJGOQNOKSA-N 1 3 356.514 2.435 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)N(C)C)cc1 ZINC000418195320 559393658 /nfs/dbraw/zinc/39/36/58/559393658.db2.gz GVHKWVDMQCRQRX-SNRMKQJTSA-N 1 3 362.518 2.374 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)N(C)C)cc1 ZINC000418216771 559394336 /nfs/dbraw/zinc/39/43/36/559394336.db2.gz ZULDYGYMPJZLKK-WDYCEAGBSA-N 1 3 362.518 2.455 20 0 FEADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000418231873 559394936 /nfs/dbraw/zinc/39/49/36/559394936.db2.gz LWXRDXUOOVDRJF-DOTOQJQBSA-N 1 3 350.532 2.405 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)N(C)C)cc1 ZINC000418232124 559394956 /nfs/dbraw/zinc/39/49/56/559394956.db2.gz MANLFHSCMLBMTE-LXZKKBNFSA-N 1 3 350.532 2.451 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCCC[NH2+]C1CC1 ZINC000418298782 559396738 /nfs/dbraw/zinc/39/67/38/559396738.db2.gz JMEQJRWLHCYQON-UHFFFAOYSA-N 1 3 354.445 2.180 20 0 FEADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000418342769 559398175 /nfs/dbraw/zinc/39/81/75/559398175.db2.gz NFAITWJFUJFSEW-JKSUJKDBSA-N 1 3 350.482 2.287 20 0 FEADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418346158 559398570 /nfs/dbraw/zinc/39/85/70/559398570.db2.gz CCPFUQIJEDQHHE-OAHLLOKOSA-N 1 3 358.408 2.141 20 0 FEADHO CCCC[C@H](C[NH3+])NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418458162 559402503 /nfs/dbraw/zinc/40/25/03/559402503.db2.gz FHNVMKYXENTFLT-ZHALLVOQSA-N 1 3 368.566 2.425 20 0 FEADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418462305 559402643 /nfs/dbraw/zinc/40/26/43/559402643.db2.gz KCDFNIBJRVPFGZ-JZXOWHBKSA-N 1 3 354.539 2.035 20 0 FEADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCCCC[NH3+] ZINC000418510704 559404354 /nfs/dbraw/zinc/40/43/54/559404354.db2.gz OKWNUFNPKRFJCE-UHFFFAOYSA-N 1 3 371.323 2.261 20 0 FEADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N(CCN(C)C)C(C)C)cc1 ZINC000418538697 559405381 /nfs/dbraw/zinc/40/53/81/559405381.db2.gz DZPSAKCYDOHJMM-RBUKOAKNSA-N 1 3 362.518 2.122 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418596930 559407339 /nfs/dbraw/zinc/40/73/39/559407339.db2.gz CTHYEKDNCBZFBK-UHFFFAOYSA-N 1 3 366.456 2.348 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC[NH2+]1 ZINC000418612756 559407889 /nfs/dbraw/zinc/40/78/89/559407889.db2.gz VYGUJUSWSQTCOO-BBRMVZONSA-N 1 3 354.445 2.179 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NCCC2=CC[NH2+]CC2)c1 ZINC000418630940 559408594 /nfs/dbraw/zinc/40/85/94/559408594.db2.gz ANEXNPVNOJWDBS-UHFFFAOYSA-N 1 3 360.502 2.078 20 0 FEADHO C[C@@H]1CN(C(=O)NC[C@H]2NCCc3ccccc32)CC[N@@H+](C2CCC2)C1 ZINC000418630619 559408597 /nfs/dbraw/zinc/40/85/97/559408597.db2.gz FPWGXJJFSATKNL-OXJNMPFZSA-N 1 3 356.514 2.389 20 0 FEADHO C[C@@H]1CN(C(=O)NC[C@H]2NCCc3ccccc32)CC[N@H+](C2CCC2)C1 ZINC000418630619 559408598 /nfs/dbraw/zinc/40/85/98/559408598.db2.gz FPWGXJJFSATKNL-OXJNMPFZSA-N 1 3 356.514 2.389 20 0 FEADHO C[C@H](CCCC[NH3+])NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418670425 559410564 /nfs/dbraw/zinc/41/05/64/559410564.db2.gz JJXKZZMYWROKIJ-SQNIBIBYSA-N 1 3 368.566 2.425 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418677408 559410783 /nfs/dbraw/zinc/41/07/83/559410783.db2.gz ROAFBVUKPOKUQZ-RBUKOAKNSA-N 1 3 362.518 2.219 20 0 FEADHO O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000418733470 559412980 /nfs/dbraw/zinc/41/29/80/559412980.db2.gz RMHYHHTVWHGLKO-HOJAQTOUSA-N 1 3 372.488 2.175 20 0 FEADHO CC[C@@H](C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)OC ZINC000419217176 559432983 /nfs/dbraw/zinc/43/29/83/559432983.db2.gz PIDKQFGRTAWLNH-FQEVSTJZSA-N 1 3 361.530 2.372 20 0 FEADHO Cc1cccc(NC(=O)CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)c1C ZINC000420300797 559479284 /nfs/dbraw/zinc/47/92/84/559479284.db2.gz KQAINBFTDCKZND-IBGZPJMESA-N 1 3 358.530 2.249 20 0 FEADHO COc1ccc(CCC(=O)N2CCCN(CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420312366 559479849 /nfs/dbraw/zinc/47/98/49/559479849.db2.gz WVCDWAOUKLQPIH-LJQANCHMSA-N 1 3 359.514 2.162 20 0 FEADHO CCOCc1ccc(CNC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420321570 559480411 /nfs/dbraw/zinc/48/04/11/559480411.db2.gz CVTXBVNKKQQTPI-VQTJNVASSA-N 1 3 359.514 2.161 20 0 FEADHO COc1ccc([C@H](CN)C[NH+]2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000420324358 559480619 /nfs/dbraw/zinc/48/06/19/559480619.db2.gz VBMIIQLKXGYGGC-LJQANCHMSA-N 1 3 359.514 2.462 20 0 FEADHO [NH3+]C[C@H]1CN(CCCc2nc(-c3cccs3)no2)CC12CCOCC2 ZINC000420336751 559481753 /nfs/dbraw/zinc/48/17/53/559481753.db2.gz WGGPJEPHSRSFIY-AWEZNQCLSA-N 1 3 362.499 2.418 20 0 FEADHO Cc1cccc(OCCNC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420341923 559481864 /nfs/dbraw/zinc/48/18/64/559481864.db2.gz OWRYUCQTPKJZBX-GBESFXJTSA-N 1 3 359.514 2.200 20 0 FEADHO COC(=O)c1ccccc1OCCN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420383254 559484274 /nfs/dbraw/zinc/48/42/74/559484274.db2.gz FJYMBBBQLIAFOD-LPHOPBHVSA-N 1 3 362.470 2.070 20 0 FEADHO [NH3+]CC1(O)CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000420403113 559485726 /nfs/dbraw/zinc/48/57/26/559485726.db2.gz KOLJGSDECMVJEA-UHFFFAOYSA-N 1 3 367.493 2.068 20 0 FEADHO CN(C[C@H]1CCC[N@@H+]1C)c1ncc(Cl)c(N(C)C[C@H]2CCCN2C)n1 ZINC000420635981 559494605 /nfs/dbraw/zinc/49/46/05/559494605.db2.gz MYPFGIKNETXNJV-HUUCEWRRSA-N 1 3 366.941 2.191 20 0 FEADHO CN(C[C@H]1CCC[N@H+]1C)c1ncc(Cl)c(N(C)C[C@H]2CCCN2C)n1 ZINC000420635981 559494606 /nfs/dbraw/zinc/49/46/06/559494606.db2.gz MYPFGIKNETXNJV-HUUCEWRRSA-N 1 3 366.941 2.191 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000420797972 559505050 /nfs/dbraw/zinc/50/50/50/559505050.db2.gz WTSRSHRBJJFQCB-UHFFFAOYSA-N 1 3 354.539 2.048 20 0 FEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@H](C)C[C@@H](CO)C1 ZINC000420950865 559513452 /nfs/dbraw/zinc/51/34/52/559513452.db2.gz WTCZJCRGNJCBCF-WSTZPKSXSA-N 1 3 373.541 2.106 20 0 FEADHO CCCN1C[C@@H](C[NH2+]Cc2ccccc2N2CCN(CC)CC2)CC1=O ZINC000421345287 559539778 /nfs/dbraw/zinc/53/97/78/559539778.db2.gz AINKCHKDKHOCRP-GOSISDBHSA-N 1 3 358.530 2.177 20 0 FEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000422701967 559603435 /nfs/dbraw/zinc/60/34/35/559603435.db2.gz CUCWPPHFIKTUGI-RXVVDRJESA-N 1 3 368.525 2.443 20 0 FEADHO O=C(COc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1)NC1CC1 ZINC000422715543 559604111 /nfs/dbraw/zinc/60/41/11/559604111.db2.gz SJWCXJWCGSKVFG-NJDAHSKKSA-N 1 3 371.525 2.397 20 0 FEADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCCN(c3ccccc3)C2=O)CC[NH2+]CC1 ZINC000422746755 559605321 /nfs/dbraw/zinc/60/53/21/559605321.db2.gz XFTAYJPVGABGAH-FUHWJXTLSA-N 1 3 373.497 2.093 20 0 FEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000422806323 559607139 /nfs/dbraw/zinc/60/71/39/559607139.db2.gz HZJQVZBTTBMXCT-PGRDOPGGSA-N 1 3 370.516 2.496 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2ccc(N3CCCC3)nc2)CC[NH2+]CC1 ZINC000422822473 559607567 /nfs/dbraw/zinc/60/75/67/559607567.db2.gz AWSICOSGIJTEIT-INIZCTEOSA-N 1 3 360.502 2.093 20 0 FEADHO CCN1CCN([C@H](C)CN[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422866879 559609034 /nfs/dbraw/zinc/60/90/34/559609034.db2.gz RAZHFXNDZKVUBT-UIFIKXQLSA-N 1 3 360.546 2.104 20 0 FEADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000422904726 559610609 /nfs/dbraw/zinc/61/06/09/559610609.db2.gz QMULFSQXBHVNLH-KDXIVRHGSA-N 1 3 373.541 2.154 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422913206 559611231 /nfs/dbraw/zinc/61/12/31/559611231.db2.gz PKEMMSIORUZQAY-CYBMUJFWSA-N 1 3 367.877 2.190 20 0 FEADHO CCN1CCN(Cc2ccc(N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422916203 559611305 /nfs/dbraw/zinc/61/13/05/559611305.db2.gz CTMXMVBLBZPQDA-BHIFYINESA-N 1 3 372.557 2.393 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422918991 559611413 /nfs/dbraw/zinc/61/14/13/559611413.db2.gz JJBFHWKHACRYTN-GAFUQQFSSA-N 1 3 367.799 2.475 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422926777 559611534 /nfs/dbraw/zinc/61/15/34/559611534.db2.gz DZIUYBJDBLMGDE-AEFFLSMTSA-N 1 3 353.532 2.324 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000422951202 559612631 /nfs/dbraw/zinc/61/26/31/559612631.db2.gz ZVSJJMFCHXGDSV-UDTPNQRGSA-N 1 3 367.921 2.055 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2cccc3c2OCCCO3)CC[NH2+]CC1 ZINC000422995775 559614372 /nfs/dbraw/zinc/61/43/72/559614372.db2.gz ZCFZSBAFFPLWOI-HNNXBMFYSA-N 1 3 362.470 2.259 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000423020722 559615357 /nfs/dbraw/zinc/61/53/57/559615357.db2.gz CTFFEZFGSWXSFJ-RCCFBDPRSA-N 1 3 355.910 2.055 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000423044667 559616233 /nfs/dbraw/zinc/61/62/33/559616233.db2.gz RCOWASWQDVUNBX-NHYWBVRUSA-N 1 3 360.285 2.442 20 0 FEADHO CCOC(=O)C1([C@H](C)N[C@H]2CCOc3ccc(OC)cc32)CC[NH2+]CC1 ZINC000423046803 559616297 /nfs/dbraw/zinc/61/62/97/559616297.db2.gz FUDZKQSWCVLONH-YOEHRIQHSA-N 1 3 362.470 2.430 20 0 FEADHO Cc1cc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])ccc1I ZINC000423092364 559618564 /nfs/dbraw/zinc/61/85/64/559618564.db2.gz BNOPTSQDJZIEHZ-OSAQELSMSA-N 1 3 374.266 2.442 20 0 FEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000423150764 559620951 /nfs/dbraw/zinc/62/09/51/559620951.db2.gz CGWOIYOYXUFGAZ-MKBNYLNASA-N 1 3 359.283 2.456 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000423150764 559620952 /nfs/dbraw/zinc/62/09/52/559620952.db2.gz CGWOIYOYXUFGAZ-MKBNYLNASA-N 1 3 359.283 2.456 20 0 FEADHO C[C@H](C[C@H](C)[NH3+])NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 ZINC000423154948 559621240 /nfs/dbraw/zinc/62/12/40/559621240.db2.gz PQRLVCOJMZTTKM-RBUKOAKNSA-N 1 3 360.546 2.073 20 0 FEADHO C[C@H](NCC[C@H]1CC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423245442 559623597 /nfs/dbraw/zinc/62/35/97/559623597.db2.gz IWUHRKSIOCIHQK-VHSXEESVSA-N 1 3 366.314 2.291 20 0 FEADHO COC[C@]1(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CC[NH2+]C1 ZINC000423353314 559626375 /nfs/dbraw/zinc/62/63/75/559626375.db2.gz LRRIOVUHWFXEAR-FPOVZHCZSA-N 1 3 359.514 2.202 20 0 FEADHO COCC1(CN[C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)CC[NH2+]CC1 ZINC000423398013 559627791 /nfs/dbraw/zinc/62/77/91/559627791.db2.gz CRSFNHPZCWFYNS-AWEZNQCLSA-N 1 3 361.465 2.382 20 0 FEADHO CC(C)CO[C@@H]1C[C@@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1(C)C ZINC000423397253 559627846 /nfs/dbraw/zinc/62/78/46/559627846.db2.gz UNHTVOAUANGFEE-RBSFLKMASA-N 1 3 351.457 2.252 20 0 FEADHO C[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)N(C)Cc1ccccc1 ZINC000423413530 559628206 /nfs/dbraw/zinc/62/82/06/559628206.db2.gz ZJJROXJWPDUFCN-QFBILLFUSA-N 1 3 355.486 2.058 20 0 FEADHO COc1ccc([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000423471852 559629813 /nfs/dbraw/zinc/62/98/13/559629813.db2.gz ZVATZFDWQVIGBM-AUJRIZCKSA-N 1 3 361.486 2.001 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000423852470 559642741 /nfs/dbraw/zinc/64/27/41/559642741.db2.gz RQTKEPJTAYOCEH-OXQOHEQNSA-N 1 3 352.482 2.293 20 0 FEADHO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000423852470 559642742 /nfs/dbraw/zinc/64/27/42/559642742.db2.gz RQTKEPJTAYOCEH-OXQOHEQNSA-N 1 3 352.482 2.293 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000423852470 559642743 /nfs/dbraw/zinc/64/27/43/559642743.db2.gz RQTKEPJTAYOCEH-OXQOHEQNSA-N 1 3 352.482 2.293 20 0 FEADHO CN(CCCN1CCN(C)CC1)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424167943 559656559 /nfs/dbraw/zinc/65/65/59/559656559.db2.gz FJLFQTOKIAYJGW-IBGZPJMESA-N 1 3 352.567 2.160 20 0 FEADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCN3CCN(c4ccncc4)CC3)C[C@H]2C1 ZINC000424262160 559659716 /nfs/dbraw/zinc/65/97/16/559659716.db2.gz DFWFKERGCFEGON-KBCPTCDJSA-N 1 3 358.530 2.387 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000424439710 559665041 /nfs/dbraw/zinc/66/50/41/559665041.db2.gz OVSRWYSVDBTFKM-IAGOWNOFSA-N 1 3 374.529 2.267 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425747224 559717343 /nfs/dbraw/zinc/71/73/43/559717343.db2.gz VHOHOWHJUCENSC-IJXRJRJASA-N 1 3 356.514 2.243 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425747224 559717344 /nfs/dbraw/zinc/71/73/44/559717344.db2.gz VHOHOWHJUCENSC-IJXRJRJASA-N 1 3 356.514 2.243 20 0 FEADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427305697 559752917 /nfs/dbraw/zinc/75/29/17/559752917.db2.gz WPHHPHWMDQSAOM-AEFFLSMTSA-N 1 3 372.513 2.102 20 0 FEADHO CC(C)[C@@H]([NH3+])CCN(C)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000430602266 559824290 /nfs/dbraw/zinc/82/42/90/559824290.db2.gz VZRASHFCRIHALB-NQIIRXRSSA-N 1 3 374.573 2.461 20 0 FEADHO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCC(C[NH3+])CC1 ZINC000430609725 559824663 /nfs/dbraw/zinc/82/46/63/559824663.db2.gz IPJFVNITSSSLIQ-AWEZNQCLSA-N 1 3 353.894 2.236 20 0 FEADHO COCC[C@@]1(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000431008062 559832317 /nfs/dbraw/zinc/83/23/17/559832317.db2.gz RBFOTTUTGCMXIY-NQIIRXRSSA-N 1 3 359.514 2.126 20 0 FEADHO CN(C)[C@@H](CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000431785876 559845950 /nfs/dbraw/zinc/84/59/50/559845950.db2.gz QHSKKKQLUXKCII-XLIONFOSSA-N 1 3 359.514 2.297 20 0 FEADHO CC1CC[NH+](CCCCNC(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000433276226 559875388 /nfs/dbraw/zinc/87/53/88/559875388.db2.gz UEKAMDRDHMYMRL-LJQANCHMSA-N 1 3 368.566 2.299 20 0 FEADHO CC(C)[NH+](CCN(C)S(=O)(=O)c1ccc(CN(C)C)cc1)C(C)C ZINC000433875200 559889332 /nfs/dbraw/zinc/88/93/32/559889332.db2.gz OYRJTPUQMSJNPW-UHFFFAOYSA-N 1 3 355.548 2.488 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000439086295 559988209 /nfs/dbraw/zinc/98/82/09/559988209.db2.gz BASVBDIATKWUSP-CVEARBPZSA-N 1 3 362.518 2.330 20 0 FEADHO CC(C)CN1CCCC[C@H]1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000440311139 560008640 /nfs/dbraw/zinc/00/86/40/560008640.db2.gz FCJSAFFROCIYGO-OALUTQOASA-N 1 3 353.551 2.406 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000446263741 560142888 /nfs/dbraw/zinc/14/28/88/560142888.db2.gz YRPVZEUWLZFZME-WOIUINJBSA-N 1 3 371.525 2.084 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000446263741 560142889 /nfs/dbraw/zinc/14/28/89/560142889.db2.gz YRPVZEUWLZFZME-WOIUINJBSA-N 1 3 371.525 2.084 20 0 FEADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000446279775 560143442 /nfs/dbraw/zinc/14/34/42/560143442.db2.gz ZQXAHOSYFGPCHU-PNSRMYRDSA-N 1 3 371.525 2.471 20 0 FEADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000446279775 560143443 /nfs/dbraw/zinc/14/34/43/560143443.db2.gz ZQXAHOSYFGPCHU-PNSRMYRDSA-N 1 3 371.525 2.471 20 0 FEADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448320933 560184046 /nfs/dbraw/zinc/18/40/46/560184046.db2.gz KVOCBEUFFOKXBI-SFHVURJKSA-N 1 3 374.529 2.232 20 0 FEADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000449256640 560222040 /nfs/dbraw/zinc/22/20/40/560222040.db2.gz FBBVHODDVNQNQE-UHFFFAOYSA-N 1 3 359.580 2.147 20 0 FEADHO CCC[NH+]1CCN(c2ccccc2CN2CC[C@](O)(C(F)F)C2)CC1 ZINC000449467468 560231337 /nfs/dbraw/zinc/23/13/37/560231337.db2.gz JIBYYAVPBOOTJR-LJQANCHMSA-N 1 3 353.457 2.421 20 0 FEADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453688582 560396832 /nfs/dbraw/zinc/39/68/32/560396832.db2.gz HCZQJBDGOCOMJY-MJGOQNOKSA-N 1 3 372.513 2.117 20 0 FEADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453688588 560396950 /nfs/dbraw/zinc/39/69/50/560396950.db2.gz HCZQJBDGOCOMJY-PKOBYXMFSA-N 1 3 372.513 2.117 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCN1C ZINC000453702711 560398038 /nfs/dbraw/zinc/39/80/38/560398038.db2.gz AAXYYYTXCIVRTB-LJHODMEESA-N 1 3 372.513 2.115 20 0 FEADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000454085343 560427816 /nfs/dbraw/zinc/42/78/16/560427816.db2.gz FKOPSHQVPPILJA-PKOBYXMFSA-N 1 3 372.513 2.115 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000454580586 560450248 /nfs/dbraw/zinc/45/02/48/560450248.db2.gz AGSTXIJKQACUCT-FRYIKTPZSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000454580586 560450249 /nfs/dbraw/zinc/45/02/49/560450249.db2.gz AGSTXIJKQACUCT-FRYIKTPZSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000457702705 560582654 /nfs/dbraw/zinc/58/26/54/560582654.db2.gz DRQIIAHOGHOARL-KSZLIROESA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000457702705 560582655 /nfs/dbraw/zinc/58/26/55/560582655.db2.gz DRQIIAHOGHOARL-KSZLIROESA-N 1 3 350.551 2.480 20 0 FEADHO C[N@@H+]1CCC[C@H](CCNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000457716376 560583735 /nfs/dbraw/zinc/58/37/35/560583735.db2.gz SJVKQKCJIKLANG-GOSISDBHSA-N 1 3 358.530 2.466 20 0 FEADHO C[N@H+]1CCC[C@H](CCNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000457716376 560583736 /nfs/dbraw/zinc/58/37/36/560583736.db2.gz SJVKQKCJIKLANG-GOSISDBHSA-N 1 3 358.530 2.466 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000457830495 560589591 /nfs/dbraw/zinc/58/95/91/560589591.db2.gz FSWMWWRBLYUJSY-SJORKVTESA-N 1 3 350.532 2.448 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000457830495 560589592 /nfs/dbraw/zinc/58/95/92/560589592.db2.gz FSWMWWRBLYUJSY-SJORKVTESA-N 1 3 350.532 2.448 20 0 FEADHO Cc1ccc([C@H](CNC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)N2CCCC2)cc1 ZINC000458153588 560605638 /nfs/dbraw/zinc/60/56/38/560605638.db2.gz RRLQVFNAQZWGLD-AABGKKOBSA-N 1 3 356.514 2.477 20 0 FEADHO Cc1ccc([C@H](CNC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)N2CCCC2)cc1 ZINC000458153588 560605639 /nfs/dbraw/zinc/60/56/39/560605639.db2.gz RRLQVFNAQZWGLD-AABGKKOBSA-N 1 3 356.514 2.477 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(OC)CCCC1 ZINC000458868613 560653165 /nfs/dbraw/zinc/65/31/65/560653165.db2.gz FXEVCCNUCAZTPH-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(OC)CCCC1 ZINC000458868613 560653167 /nfs/dbraw/zinc/65/31/67/560653167.db2.gz FXEVCCNUCAZTPH-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000459153388 560670708 /nfs/dbraw/zinc/67/07/08/560670708.db2.gz JHEOZIMQVZBDGZ-LJQANCHMSA-N 1 3 373.545 2.419 20 0 FEADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000459153388 560670710 /nfs/dbraw/zinc/67/07/10/560670710.db2.gz JHEOZIMQVZBDGZ-LJQANCHMSA-N 1 3 373.545 2.419 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000459285661 560677796 /nfs/dbraw/zinc/67/77/96/560677796.db2.gz FDHQQNHJWHYWEO-ICSRJNTNSA-N 1 3 373.545 2.277 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459285661 560677797 /nfs/dbraw/zinc/67/77/97/560677797.db2.gz FDHQQNHJWHYWEO-ICSRJNTNSA-N 1 3 373.545 2.277 20 0 FEADHO O=C(Cc1ccccc1)N1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459518913 560691699 /nfs/dbraw/zinc/69/16/99/560691699.db2.gz GWOVPXPXOJHHLF-HXUWFJFHSA-N 1 3 364.493 2.484 20 0 FEADHO CN(C)S(=O)(=O)c1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459571134 560694954 /nfs/dbraw/zinc/69/49/54/560694954.db2.gz GAACORDEVZSZHA-UHFFFAOYSA-N 1 3 374.510 2.091 20 0 FEADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000461379326 560768957 /nfs/dbraw/zinc/76/89/57/560768957.db2.gz LNNOBFACLDGVMO-SJLPKXTDSA-N 1 3 353.551 2.048 20 0 FEADHO CC[N@@H+]1CCCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000462003268 560791873 /nfs/dbraw/zinc/79/18/73/560791873.db2.gz NZFFSHGFHOVVEO-UHFFFAOYSA-N 1 3 358.530 2.061 20 0 FEADHO CC[N@H+]1CCCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000462003268 560791874 /nfs/dbraw/zinc/79/18/74/560791874.db2.gz NZFFSHGFHOVVEO-UHFFFAOYSA-N 1 3 358.530 2.061 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000464848160 560853458 /nfs/dbraw/zinc/85/34/58/560853458.db2.gz WHDPIDOZXFAIFZ-LJQANCHMSA-N 1 3 372.557 2.183 20 0 FEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000464964225 560855902 /nfs/dbraw/zinc/85/59/02/560855902.db2.gz YGWVJDSXFGAVAJ-SFHVURJKSA-N 1 3 372.557 2.363 20 0 FEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000464964225 560855903 /nfs/dbraw/zinc/85/59/03/560855903.db2.gz YGWVJDSXFGAVAJ-SFHVURJKSA-N 1 3 372.557 2.363 20 0 FEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000465603388 560869467 /nfs/dbraw/zinc/86/94/67/560869467.db2.gz PUUWUIWKCMFMIK-RBUKOAKNSA-N 1 3 368.566 2.251 20 0 FEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000465603388 560869468 /nfs/dbraw/zinc/86/94/68/560869468.db2.gz PUUWUIWKCMFMIK-RBUKOAKNSA-N 1 3 368.566 2.251 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NC3(C[NH+](C)C)CCC3)cc2)CC1 ZINC000466567691 560890077 /nfs/dbraw/zinc/89/00/77/560890077.db2.gz SVUJEGKIKAHDSH-UHFFFAOYSA-N 1 3 358.530 2.431 20 0 FEADHO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000467290757 560907866 /nfs/dbraw/zinc/90/78/66/560907866.db2.gz JPWPXWPYUQNEII-KURKYZTESA-N 1 3 367.534 2.125 20 0 FEADHO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000467290757 560907867 /nfs/dbraw/zinc/90/78/67/560907867.db2.gz JPWPXWPYUQNEII-KURKYZTESA-N 1 3 367.534 2.125 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2)c1 ZINC000467810364 560917953 /nfs/dbraw/zinc/91/79/53/560917953.db2.gz DIOSDBCITQXRRF-RXVVDRJESA-N 1 3 370.541 2.106 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)CC2)c1 ZINC000467810364 560917954 /nfs/dbraw/zinc/91/79/54/560917954.db2.gz DIOSDBCITQXRRF-RXVVDRJESA-N 1 3 370.541 2.106 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCc3nccn3C2)CC1 ZINC000468006602 560920984 /nfs/dbraw/zinc/92/09/84/560920984.db2.gz URYARKKIMOKKFK-GOSISDBHSA-N 1 3 353.514 2.377 20 0 FEADHO COC[C@H]1CCCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000468087357 560922391 /nfs/dbraw/zinc/92/23/91/560922391.db2.gz NQDAQMUKCWMOLL-KRWDZBQOSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000468711655 560936732 /nfs/dbraw/zinc/93/67/32/560936732.db2.gz PQHQHICCGUVQSX-FQEVSTJZSA-N 1 3 372.557 2.435 20 0 FEADHO CC[C@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)N(CC)CC ZINC000468814305 560939507 /nfs/dbraw/zinc/93/95/07/560939507.db2.gz DAEDKZVQIMGWTA-CEXWTWQISA-N 1 3 352.567 2.124 20 0 FEADHO CC[C@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)N(CC)CC ZINC000468814305 560939508 /nfs/dbraw/zinc/93/95/08/560939508.db2.gz DAEDKZVQIMGWTA-CEXWTWQISA-N 1 3 352.567 2.124 20 0 FEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000469569205 560958656 /nfs/dbraw/zinc/95/86/56/560958656.db2.gz REKOKSWSABCFMM-SFHVURJKSA-N 1 3 351.535 2.354 20 0 FEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000469569205 560958657 /nfs/dbraw/zinc/95/86/57/560958657.db2.gz REKOKSWSABCFMM-SFHVURJKSA-N 1 3 351.535 2.354 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000469859361 560966963 /nfs/dbraw/zinc/96/69/63/560966963.db2.gz OMUIOUUEFHVWHJ-VQIMIIECSA-N 1 3 367.497 2.157 20 0 FEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000469977222 560970430 /nfs/dbraw/zinc/97/04/30/560970430.db2.gz QPEAOHFHFHODAS-OAQYLSRUSA-N 1 3 372.557 2.498 20 0 FEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000469977222 560970431 /nfs/dbraw/zinc/97/04/31/560970431.db2.gz QPEAOHFHFHODAS-OAQYLSRUSA-N 1 3 372.557 2.498 20 0 FEADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000470013875 560972044 /nfs/dbraw/zinc/97/20/44/560972044.db2.gz RRCNDGHFMUDLIM-HNNXBMFYSA-N 1 3 364.921 2.227 20 0 FEADHO CC(C)C1CCC(N2CCN(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000471657547 561009824 /nfs/dbraw/zinc/00/98/24/561009824.db2.gz YQFBESIZORZRIS-UHFFFAOYSA-N 1 3 368.566 2.107 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CN1C1CC1 ZINC000472036238 561016504 /nfs/dbraw/zinc/01/65/04/561016504.db2.gz CJIILPPVQDZSCR-LMCOJAPRSA-N 1 3 368.525 2.385 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CN1C1CC1 ZINC000472036238 561016505 /nfs/dbraw/zinc/01/65/05/561016505.db2.gz CJIILPPVQDZSCR-LMCOJAPRSA-N 1 3 368.525 2.385 20 0 FEADHO CCN(CCC[NH+]1CCCC1)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000472049501 561016718 /nfs/dbraw/zinc/01/67/18/561016718.db2.gz WSFQNPXANFGNBH-UHFFFAOYSA-N 1 3 368.566 2.393 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000529290039 562367546 /nfs/dbraw/zinc/36/75/46/562367546.db2.gz ISJLWIQFUOOLOC-HXUWFJFHSA-N 1 3 374.529 2.048 20 0 FEADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529349428 562370439 /nfs/dbraw/zinc/37/04/39/562370439.db2.gz LBWGFCJJKVAQGZ-RTBURBONSA-N 1 3 356.514 2.229 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529360853 562370934 /nfs/dbraw/zinc/37/09/34/562370934.db2.gz UIOHBHCAPCYWES-LJQANCHMSA-N 1 3 356.514 2.497 20 0 FEADHO Cn1c2ccc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cc2sc1=O ZINC000530248685 562404113 /nfs/dbraw/zinc/40/41/13/562404113.db2.gz OFNJEAHPRORTRI-MRXNPFEDSA-N 1 3 361.511 2.191 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)COc1cc(Cl)ccc1Cl ZINC000531118552 562435244 /nfs/dbraw/zinc/43/52/44/562435244.db2.gz YKNSKRUHAVMJTJ-UHFFFAOYSA-N 1 3 362.301 2.324 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000531932518 562462136 /nfs/dbraw/zinc/46/21/36/562462136.db2.gz SHBHDWPIODIABE-BRSBDYLESA-N 1 3 350.576 2.355 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000531932518 562462137 /nfs/dbraw/zinc/46/21/37/562462137.db2.gz SHBHDWPIODIABE-BRSBDYLESA-N 1 3 350.576 2.355 20 0 FEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000531932518 562462138 /nfs/dbraw/zinc/46/21/38/562462138.db2.gz SHBHDWPIODIABE-BRSBDYLESA-N 1 3 350.576 2.355 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCNc2cnccn2)CC1 ZINC000532373773 562475629 /nfs/dbraw/zinc/47/56/29/562475629.db2.gz DZOKNIKWEWYLKS-UHFFFAOYSA-N 1 3 354.502 2.210 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000535032670 562548754 /nfs/dbraw/zinc/54/87/54/562548754.db2.gz UNQHFBLDEZGRQY-UHFFFAOYSA-N 1 3 369.579 2.118 20 0 FEADHO C[C@H]1[C@H](NC(=S)NCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000806608752 674383474 /nfs/dbraw/zinc/38/34/74/674383474.db2.gz JKEOWQZSDUNURV-QFBILLFUSA-N 1 3 360.571 2.455 20 0 FEADHO COC(=O)COc1ccccc1[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000602019745 567901551 /nfs/dbraw/zinc/90/15/51/567901551.db2.gz HGVYSYWJHOPUFE-HNNXBMFYSA-N 1 3 370.453 2.216 20 0 FEADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000604185677 568222632 /nfs/dbraw/zinc/22/26/32/568222632.db2.gz SXTSMRWKOUGSLV-JKSUJKDBSA-N 1 3 362.543 2.496 20 0 FEADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000604185677 568222633 /nfs/dbraw/zinc/22/26/33/568222633.db2.gz SXTSMRWKOUGSLV-JKSUJKDBSA-N 1 3 362.543 2.496 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000623071855 568241497 /nfs/dbraw/zinc/24/14/97/568241497.db2.gz ORSLLCUSVBEIHX-IEBWSBKVSA-N 1 3 360.502 2.498 20 0 FEADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000562314763 674740467 /nfs/dbraw/zinc/74/04/67/674740467.db2.gz KVRFWJMABQKRQN-OAHLLOKOSA-N 1 3 350.459 2.008 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CCC[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000563606926 674915865 /nfs/dbraw/zinc/91/58/65/674915865.db2.gz PNZRKFMGTDMKIF-PBHICJAKSA-N 1 3 350.532 2.392 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)[C@@H]3CCCOC3)CC2)CC1 ZINC000569706784 670600423 /nfs/dbraw/zinc/60/04/23/670600423.db2.gz PIBOSFCADQFGHO-FUHWJXTLSA-N 1 3 351.535 2.114 20 0 FEADHO O[C@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)COc1ccccc1Cl ZINC000565712323 675145407 /nfs/dbraw/zinc/14/54/07/675145407.db2.gz PFOQJJUBWRYMQF-DOTOQJQBSA-N 1 3 368.905 2.170 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(F)(F)C(F)(F)C3)CC2)CC1 ZINC000572734842 671038454 /nfs/dbraw/zinc/03/84/54/671038454.db2.gz LQAQNXQLESJVLM-UHFFFAOYSA-N 1 3 365.415 2.296 20 0 FEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574199496 671213941 /nfs/dbraw/zinc/21/39/41/671213941.db2.gz FPRVPGGPDDUTNC-JFRXWTBNSA-N 1 3 351.535 2.112 20 0 FEADHO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000576911168 671403867 /nfs/dbraw/zinc/40/38/67/671403867.db2.gz AADHDLITYANCPU-GOSISDBHSA-N 1 3 351.535 2.135 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)OC(C)(C)C3)CC2)CC1 ZINC000577236962 671426288 /nfs/dbraw/zinc/42/62/88/671426288.db2.gz BHLQGGYJMVRCDD-MRXNPFEDSA-N 1 3 351.535 2.209 20 0 FEADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000580312731 671797051 /nfs/dbraw/zinc/79/70/51/671797051.db2.gz XPFZZUFEBIRTNW-GJZGRUSLSA-N 1 3 354.397 2.476 20 0 FEADHO CN1CCN(CC[NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1(C)C ZINC000584715835 672208733 /nfs/dbraw/zinc/20/87/33/672208733.db2.gz CSWNVFYXEBGFBO-UHFFFAOYSA-N 1 3 352.910 2.284 20 0 FEADHO CC1(C)CN(C2(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])CCCCC2)CCO1 ZINC000261791124 672903124 /nfs/dbraw/zinc/90/31/24/672903124.db2.gz QELDUEVOHJJSOV-DLBZAZTESA-N 1 3 351.535 2.434 20 0 FEADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000612990427 676105597 /nfs/dbraw/zinc/10/55/97/676105597.db2.gz QYDKQJMONPALOZ-CVEARBPZSA-N 1 3 350.894 2.384 20 0 FEADHO CCN1CCN(CCC[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000463139701 673298839 /nfs/dbraw/zinc/29/88/39/673298839.db2.gz DZNJLXMYYPYILR-UHFFFAOYSA-N 1 3 350.473 2.020 20 0 FEADHO C[C@H](NC[C@@H]1CCCCS1(=O)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000543430272 673646749 /nfs/dbraw/zinc/64/67/49/673646749.db2.gz XKMJZGFTRMHRPX-YJBOKZPZSA-N 1 3 354.516 2.245 20 0 FEADHO COC(=O)[C@@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000599656920 673702826 /nfs/dbraw/zinc/70/28/26/673702826.db2.gz WBQUPMJBBRAXIG-IPMKNSEASA-N 1 3 351.535 2.066 20 0 FEADHO COC(=O)[C@@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000599656920 673702828 /nfs/dbraw/zinc/70/28/28/673702828.db2.gz WBQUPMJBBRAXIG-IPMKNSEASA-N 1 3 351.535 2.066 20 0 FEADHO COC(=O)[C@@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000599656906 673702885 /nfs/dbraw/zinc/70/28/85/673702885.db2.gz WBQUPMJBBRAXIG-GUDVDZBRSA-N 1 3 351.535 2.066 20 0 FEADHO COC(=O)[C@@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000599656906 673702886 /nfs/dbraw/zinc/70/28/86/673702886.db2.gz WBQUPMJBBRAXIG-GUDVDZBRSA-N 1 3 351.535 2.066 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCO[C@H](C)C3)CC2)CC1 ZINC000566450479 675215120 /nfs/dbraw/zinc/21/51/20/675215120.db2.gz GXUBBBQNYRRFTN-IAGOWNOFSA-N 1 3 351.535 2.114 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000819181823 675267217 /nfs/dbraw/zinc/26/72/17/675267217.db2.gz BPJFHAOVQWHFIK-DLBZAZTESA-N 1 3 357.539 2.172 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000819181823 675267220 /nfs/dbraw/zinc/26/72/20/675267220.db2.gz BPJFHAOVQWHFIK-DLBZAZTESA-N 1 3 357.539 2.172 20 0 FEADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)Cc1ccc(F)cc1 ZINC000567687373 675312525 /nfs/dbraw/zinc/31/25/25/675312525.db2.gz CVYQVYJIBFQDCL-SLFFLAALSA-N 1 3 350.478 2.087 20 0 FEADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)[C@@H](C)C1 ZINC000825163817 675639515 /nfs/dbraw/zinc/63/95/15/675639515.db2.gz QYOAUGSULPIYBM-BBWFWOEESA-N 1 3 355.523 2.332 20 0 FEADHO CC[N@H+]1CC[C@H](NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)[C@@H](C)C1 ZINC000825163817 675639516 /nfs/dbraw/zinc/63/95/16/675639516.db2.gz QYOAUGSULPIYBM-BBWFWOEESA-N 1 3 355.523 2.332 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000605404405 675812766 /nfs/dbraw/zinc/81/27/66/675812766.db2.gz HKZUJQZZQYNKBG-ROUUACIJSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000605404405 675812767 /nfs/dbraw/zinc/81/27/67/675812767.db2.gz HKZUJQZZQYNKBG-ROUUACIJSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccccc1Br ZINC000617503752 676288529 /nfs/dbraw/zinc/28/85/29/676288529.db2.gz XQWUFCXDJGSZLU-ZDUSSCGKSA-N 1 3 356.308 2.451 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccccc1Br ZINC000617503752 676288530 /nfs/dbraw/zinc/28/85/30/676288530.db2.gz XQWUFCXDJGSZLU-ZDUSSCGKSA-N 1 3 356.308 2.451 20 0 FEADHO CC[NH+](CC)C[C@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000620550414 676421119 /nfs/dbraw/zinc/42/11/19/676421119.db2.gz QVFZNHCXKDYRQR-INIZCTEOSA-N 1 3 356.580 2.378 20 0 FEADHO CN1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000621010824 676437612 /nfs/dbraw/zinc/43/76/12/676437612.db2.gz UNISWIXGEJFTIJ-HNNXBMFYSA-N 1 3 354.445 2.132 20 0 FEADHO CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000622186109 676495703 /nfs/dbraw/zinc/49/57/03/676495703.db2.gz ZLYOFXAJDACARA-MSOLQXFVSA-N 1 3 351.535 2.353 20 0 FEADHO CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000622186109 676495705 /nfs/dbraw/zinc/49/57/05/676495705.db2.gz ZLYOFXAJDACARA-MSOLQXFVSA-N 1 3 351.535 2.353 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623401762 676533163 /nfs/dbraw/zinc/53/31/63/676533163.db2.gz NVGYKOBDERVBQE-GOSISDBHSA-N 1 3 367.559 2.477 20 0 FEADHO C[NH2+]CCOCCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000626922246 676728782 /nfs/dbraw/zinc/72/87/82/676728782.db2.gz SCYRUUSTSCMINS-MRXNPFEDSA-N 1 3 368.547 2.056 20 0 FEADHO C[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1cccc(Br)c1 ZINC000629564457 676859861 /nfs/dbraw/zinc/85/98/61/676859861.db2.gz KWVQBTLQZNWGEY-UKRRQHHQSA-N 1 3 357.292 2.263 20 0 FEADHO C[C@H]1C[C@H](N(C)S(=O)(=O)CCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000631996449 676969573 /nfs/dbraw/zinc/96/95/73/676969573.db2.gz CMAZWCXWLWOJLM-PKOBYXMFSA-N 1 3 367.559 2.253 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc(Cl)n1 ZINC000830239955 677031691 /nfs/dbraw/zinc/03/16/91/677031691.db2.gz CQTRRNLSDAVHSA-GDBMZVCRSA-N 1 3 350.894 2.378 20 0 FEADHO Cc1ncc(C(F)(F)F)cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000636161039 677114526 /nfs/dbraw/zinc/11/45/26/677114526.db2.gz IWVHYDSVIMZRSK-LBPRGKRZSA-N 1 3 360.424 2.411 20 0 FEADHO Cc1ncc(C(F)(F)F)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000636161039 677114527 /nfs/dbraw/zinc/11/45/27/677114527.db2.gz IWVHYDSVIMZRSK-LBPRGKRZSA-N 1 3 360.424 2.411 20 0 FEADHO COC[C@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCCCN1 ZINC000638086275 677139595 /nfs/dbraw/zinc/13/95/95/677139595.db2.gz XQEUUSQNXUKCKF-APWZRJJASA-N 1 3 365.543 2.235 20 0 FEADHO COC[C@]1(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCCCN1 ZINC000638086275 677139596 /nfs/dbraw/zinc/13/95/96/677139596.db2.gz XQEUUSQNXUKCKF-APWZRJJASA-N 1 3 365.543 2.235 20 0 FEADHO COC[C@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCCCN1 ZINC000638086277 677139655 /nfs/dbraw/zinc/13/96/55/677139655.db2.gz XQEUUSQNXUKCKF-LPHOPBHVSA-N 1 3 365.543 2.235 20 0 FEADHO COC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCCCN1 ZINC000638086277 677139656 /nfs/dbraw/zinc/13/96/56/677139656.db2.gz XQEUUSQNXUKCKF-LPHOPBHVSA-N 1 3 365.543 2.235 20 0 FEADHO Fc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000643462817 677226846 /nfs/dbraw/zinc/22/68/46/677226846.db2.gz LRIBTPJREXVNDK-CIRFHOKZSA-N 1 3 351.441 2.290 20 0 FEADHO Fc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000643462816 677226873 /nfs/dbraw/zinc/22/68/73/677226873.db2.gz LRIBTPJREXVNDK-BURFUSLBSA-N 1 3 351.441 2.290 20 0 FEADHO C[C@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000643468711 677226917 /nfs/dbraw/zinc/22/69/17/677226917.db2.gz JLEDYYKKXGULPB-LPHOPBHVSA-N 1 3 365.543 2.208 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644159625 677238695 /nfs/dbraw/zinc/23/86/95/677238695.db2.gz ICCLNMMLALAUDT-DOTOQJQBSA-N 1 3 351.441 2.354 20 0 FEADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)C[C@@H]1C ZINC000649547458 677332689 /nfs/dbraw/zinc/33/26/89/677332689.db2.gz TXXCAORQVFJIDC-MAUKXSAKSA-N 1 3 365.543 2.432 20 0 FEADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)C[C@@H]1C ZINC000649547458 677332690 /nfs/dbraw/zinc/33/26/90/677332690.db2.gz TXXCAORQVFJIDC-MAUKXSAKSA-N 1 3 365.543 2.432 20 0 FEADHO C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345786 677480404 /nfs/dbraw/zinc/48/04/04/677480404.db2.gz LXCPSHZAKBNWIM-XGXHKWSGSA-N 1 3 351.535 2.290 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](OC)CC3)CC2)CC1 ZINC000654994343 677616632 /nfs/dbraw/zinc/61/66/32/677616632.db2.gz OITBVXIUHMANJH-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO CC(C)[NH+](CCCNC(=O)NC1CCN([C@@H]2CCOC2)CC1)C(C)C ZINC000660865903 678399414 /nfs/dbraw/zinc/39/94/14/678399414.db2.gz YLJAYIFBKQPOMC-GOSISDBHSA-N 1 3 354.539 2.048 20 0 FEADHO Brc1cccc2c1OCC[C@H]2NC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662281303 678600494 /nfs/dbraw/zinc/60/04/94/678600494.db2.gz JDSIESFZBNRGOY-SMDDNHRTSA-N 1 3 353.260 2.383 20 0 FEADHO COc1ccc([C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000663857530 678799152 /nfs/dbraw/zinc/79/91/52/678799152.db2.gz GNTZLYPOTYFUDY-JKSUJKDBSA-N 1 3 350.507 2.327 20 0 FEADHO COc1ccc([C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000663857530 678799155 /nfs/dbraw/zinc/79/91/55/678799155.db2.gz GNTZLYPOTYFUDY-JKSUJKDBSA-N 1 3 350.507 2.327 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(c2ccc(F)cc2)CC1 ZINC000663997169 678819289 /nfs/dbraw/zinc/81/92/89/678819289.db2.gz SEWZFBJWDKJWIZ-HNNXBMFYSA-N 1 3 350.482 2.386 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(c2ccc(F)cc2)CC1 ZINC000663997169 678819292 /nfs/dbraw/zinc/81/92/92/678819292.db2.gz SEWZFBJWDKJWIZ-HNNXBMFYSA-N 1 3 350.482 2.386 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000664410914 678875136 /nfs/dbraw/zinc/87/51/36/678875136.db2.gz BFVUMIQHWRINSQ-IRXDYDNUSA-N 1 3 356.555 2.153 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000664410914 678875139 /nfs/dbraw/zinc/87/51/39/678875139.db2.gz BFVUMIQHWRINSQ-IRXDYDNUSA-N 1 3 356.555 2.153 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000665763836 678982698 /nfs/dbraw/zinc/98/26/98/678982698.db2.gz NADWDHUBIYYEFN-KVSKMBFKSA-N 1 3 350.482 2.195 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000665763836 678982700 /nfs/dbraw/zinc/98/27/00/678982700.db2.gz NADWDHUBIYYEFN-KVSKMBFKSA-N 1 3 350.482 2.195 20 0 FEADHO Cc1csc([C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000667642356 679120111 /nfs/dbraw/zinc/12/01/11/679120111.db2.gz YFGIPVBJHQXOQT-CQSZACIVSA-N 1 3 350.532 2.230 20 0 FEADHO CCOc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nc1C ZINC000668134421 679149491 /nfs/dbraw/zinc/14/94/91/679149491.db2.gz JGDVKDPMRPTPJX-AWEZNQCLSA-N 1 3 351.495 2.182 20 0 FEADHO CCOc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc1C ZINC000668134421 679149494 /nfs/dbraw/zinc/14/94/94/679149494.db2.gz JGDVKDPMRPTPJX-AWEZNQCLSA-N 1 3 351.495 2.182 20 0 FEADHO COC1CCN(CCNC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000674327463 679483065 /nfs/dbraw/zinc/48/30/65/679483065.db2.gz VHZXHFIMGNLQMR-UHFFFAOYSA-N 1 3 354.539 2.051 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000747990470 679919408 /nfs/dbraw/zinc/91/94/08/679919408.db2.gz MWRQYNSFMFOUNA-LBPRGKRZSA-N 1 3 363.333 2.038 20 0 FEADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=S)NC1CCN(C)CC1 ZINC000749828931 680078235 /nfs/dbraw/zinc/07/82/35/680078235.db2.gz KGDZMKFPCICIOB-QFBILLFUSA-N 1 3 360.571 2.455 20 0 FEADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=S)NC1CCN(C)CC1 ZINC000749828931 680078238 /nfs/dbraw/zinc/07/82/38/680078238.db2.gz KGDZMKFPCICIOB-QFBILLFUSA-N 1 3 360.571 2.455 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCc2cncs2)CC[N@@H+]1C ZINC001024967682 680308413 /nfs/dbraw/zinc/30/84/13/680308413.db2.gz CMYABPCFKAIESH-HYVNUMGLSA-N 1 3 350.532 2.344 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CNCc2cncs2)CC[N@H+]1C ZINC001024967682 680308418 /nfs/dbraw/zinc/30/84/18/680308418.db2.gz CMYABPCFKAIESH-HYVNUMGLSA-N 1 3 350.532 2.344 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC(F)(F)CC2)CC[N@@H+]1C ZINC001032411456 680413082 /nfs/dbraw/zinc/41/30/82/680413082.db2.gz PVOAMEUNNURRKY-BSWAZPDLSA-N 1 3 355.473 2.437 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC(F)(F)CC2)CC[N@H+]1C ZINC001032411456 680413084 /nfs/dbraw/zinc/41/30/84/680413084.db2.gz PVOAMEUNNURRKY-BSWAZPDLSA-N 1 3 355.473 2.437 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCCN(CCc3ccns3)C2)CC[N@@H+]1C ZINC001034218010 680431611 /nfs/dbraw/zinc/43/16/11/680431611.db2.gz XPTCYQIUSAMYAH-BPQIPLTHSA-N 1 3 364.559 2.387 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCCN(CCc3ccns3)C2)CC[N@H+]1C ZINC001034218010 680431615 /nfs/dbraw/zinc/43/16/15/680431615.db2.gz XPTCYQIUSAMYAH-BPQIPLTHSA-N 1 3 364.559 2.387 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC2CCN(CC[C@@H]3CC3(Cl)Cl)CC2)CC[N@@H+]1C ZINC001002859738 680511978 /nfs/dbraw/zinc/51/19/78/680511978.db2.gz FMILYFYZJQOBPR-UMVBOHGHSA-N 1 3 362.345 2.491 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC2CCN(CC[C@@H]3CC3(Cl)Cl)CC2)CC[N@H+]1C ZINC001002859738 680511979 /nfs/dbraw/zinc/51/19/79/680511979.db2.gz FMILYFYZJQOBPR-UMVBOHGHSA-N 1 3 362.345 2.491 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(Cl)n1 ZINC000841857528 680915079 /nfs/dbraw/zinc/91/50/79/680915079.db2.gz UMQOSRCGZIQDCN-IIAWOOMASA-N 1 3 350.894 2.281 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)c3csc(CC[NH3+])n3)cc2)CC1 ZINC000844191995 681043741 /nfs/dbraw/zinc/04/37/41/681043741.db2.gz XQNXLTZZAQAGAM-UHFFFAOYSA-N 1 3 359.499 2.039 20 0 FEADHO Cc1ncsc1CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052394470 681076705 /nfs/dbraw/zinc/07/67/05/681076705.db2.gz YDKSPMYVEJTGOL-BZUAXINKSA-N 1 3 350.532 2.262 20 0 FEADHO Cc1ncsc1CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001052394470 681076708 /nfs/dbraw/zinc/07/67/08/681076708.db2.gz YDKSPMYVEJTGOL-BZUAXINKSA-N 1 3 350.532 2.262 20 0 FEADHO Cc1cc(Br)cc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)c1 ZINC000774992464 681263949 /nfs/dbraw/zinc/26/39/49/681263949.db2.gz QSLCJQHDTSBWKQ-HNNXBMFYSA-N 1 3 368.319 2.435 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000933076103 681359272 /nfs/dbraw/zinc/35/92/72/681359272.db2.gz DLXDTXYIIUFJGO-GOSISDBHSA-N 1 3 351.535 2.114 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000847323492 681363004 /nfs/dbraw/zinc/36/30/04/681363004.db2.gz OBJVQBKIRCUCLT-CQSZACIVSA-N 1 3 362.345 2.493 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852156672 682229711 /nfs/dbraw/zinc/22/97/11/682229711.db2.gz VDJNOTTWYFCXFT-BRWVUGGUSA-N 1 3 357.539 2.170 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852156672 682229714 /nfs/dbraw/zinc/22/97/14/682229714.db2.gz VDJNOTTWYFCXFT-BRWVUGGUSA-N 1 3 357.539 2.170 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCc3scnc3C)C2)CC[N@@H+]1C ZINC000971566568 682360904 /nfs/dbraw/zinc/36/09/04/682360904.db2.gz GPBLFVYSNKZZLJ-YESZJQIVSA-N 1 3 364.559 2.257 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCc3scnc3C)C2)CC[N@H+]1C ZINC000971566568 682360910 /nfs/dbraw/zinc/36/09/10/682360910.db2.gz GPBLFVYSNKZZLJ-YESZJQIVSA-N 1 3 364.559 2.257 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CC1(Cl)Cl ZINC000856919566 682827192 /nfs/dbraw/zinc/82/71/92/682827192.db2.gz GMCLIYVEAMPEFI-STQMWFEESA-N 1 3 353.338 2.142 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CC1(Cl)Cl ZINC000856919566 682827195 /nfs/dbraw/zinc/82/71/95/682827195.db2.gz GMCLIYVEAMPEFI-STQMWFEESA-N 1 3 353.338 2.142 20 0 FEADHO CS(=O)(=O)c1ccccc1CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925832450 683041943 /nfs/dbraw/zinc/04/19/43/683041943.db2.gz WCESHJWHESHDDX-ZWKOTPCHSA-N 1 3 350.528 2.391 20 0 FEADHO CS(=O)(=O)c1ccccc1CCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925832450 683041947 /nfs/dbraw/zinc/04/19/47/683041947.db2.gz WCESHJWHESHDDX-ZWKOTPCHSA-N 1 3 350.528 2.391 20 0 FEADHO CCS(=O)(=O)c1ccccc1CC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925833467 683041962 /nfs/dbraw/zinc/04/19/62/683041962.db2.gz JWZCNLWZBXZMMG-NJAFHUGGSA-N 1 3 350.528 2.389 20 0 FEADHO COCCN(CCOC)C1CC[NH+](C[C@H](O)c2ccc(C)cc2)CC1 ZINC000796516356 683167470 /nfs/dbraw/zinc/16/74/70/683167470.db2.gz RJZVQVKGXQXCMV-FQEVSTJZSA-N 1 3 350.503 2.088 20 0 FEADHO O[C@@H](CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000923431492 684279985 /nfs/dbraw/zinc/27/99/85/684279985.db2.gz QSLNDVLLICNZDI-FCEWJHQRSA-N 1 3 367.896 2.413 20 0 FEADHO COc1cc(NC(=O)CCN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(OC)cc1Cl ZINC000923519181 684296830 /nfs/dbraw/zinc/29/68/30/684296830.db2.gz QOGZOAZNNQMAJX-QWHCGFSZSA-N 1 3 367.877 2.227 20 0 FEADHO C[C@H]1[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)CCN1C ZINC000925326262 684549860 /nfs/dbraw/zinc/54/98/60/684549860.db2.gz QBBXMYYXQXRVIQ-GUYCJALGSA-N 1 3 354.445 2.131 20 0 FEADHO CCNS(=O)(=O)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000925381554 684557346 /nfs/dbraw/zinc/55/73/46/684557346.db2.gz YYHDSRZNRYKFBI-YQQQUEKLSA-N 1 3 365.543 2.101 20 0 FEADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC[C@@H]1CC1(Cl)Cl ZINC000877120293 686328195 /nfs/dbraw/zinc/32/81/95/686328195.db2.gz FZLQNKFRJVFBRB-GJZGRUSLSA-N 1 3 358.313 2.059 20 0 FEADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1 ZINC000877138299 686330738 /nfs/dbraw/zinc/33/07/38/686330738.db2.gz SSNIDZUTUFHTJV-CBBWQLFWSA-N 1 3 358.360 2.424 20 0 FEADHO COCC[C@@H](CN1CCCC12CC[NH+](C)CC2)NC(=O)OC(C)(C)C ZINC000877458183 686380962 /nfs/dbraw/zinc/38/09/62/686380962.db2.gz KPENQULSNKYRLK-INIZCTEOSA-N 1 3 355.523 2.476 20 0 FEADHO C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F)N(C)Cc1ccccc1 ZINC000891537398 689074795 /nfs/dbraw/zinc/07/47/95/689074795.db2.gz BSWUBHJHOQCUIB-GOEBONIOSA-N 1 3 354.445 2.051 20 0 FEADHO F[C@H]1CC2(CC[C@@H]1N1CCC(OCC[NH+]3CCCC3)CC1)OCCO2 ZINC000892130664 689154651 /nfs/dbraw/zinc/15/46/51/689154651.db2.gz PQNIOFHYWDSTOE-ROUUACIJSA-N 1 3 356.482 2.197 20 0 FEADHO C[NH+]1CCC(CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CC1 ZINC000893487167 689355451 /nfs/dbraw/zinc/35/54/51/689355451.db2.gz HMGCOCIKFYMFRF-SFHVURJKSA-N 1 3 351.516 2.235 20 0 FEADHO CCO/C=C\[C@](O)(C[NH2+]Cc1ccnn1-c1ccncc1)C(F)(F)F ZINC000895715438 689760365 /nfs/dbraw/zinc/76/03/65/689760365.db2.gz CEFRNSXXQAHSQC-MLBQELRYSA-N 1 3 356.348 2.201 20 0 FEADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903167204 690859660 /nfs/dbraw/zinc/85/96/60/690859660.db2.gz IDJGUNYCEIHWNR-HNNXBMFYSA-N 1 3 354.539 2.048 20 0 FEADHO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C[C@H](N)CC(F)F)cc2)C[C@@H](C)O1 ZINC000903924319 690986670 /nfs/dbraw/zinc/98/66/70/690986670.db2.gz CNPZBRDPBFVFPU-XJKCOSOUSA-N 1 3 355.429 2.008 20 0 FEADHO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(N)n1)CC2 ZINC001164783628 721454843 /nfs/dbraw/zinc/45/48/43/721454843.db2.gz CLZVZZWTGKMRJQ-GOSISDBHSA-N 1 3 374.529 2.398 20 0 FEADHO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(N)n1)CC2 ZINC001164783628 721454844 /nfs/dbraw/zinc/45/48/44/721454844.db2.gz CLZVZZWTGKMRJQ-GOSISDBHSA-N 1 3 374.529 2.398 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3nnc(C4CC4)s3)CC2)CC1 ZINC000051235957 540427727 /nfs/dbraw/zinc/42/77/27/540427727.db2.gz ROGWMEXCWNHPAV-UHFFFAOYSA-N 1 3 364.519 2.096 20 0 FEADHO CCOc1ncccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051235959 540427821 /nfs/dbraw/zinc/42/78/21/540427821.db2.gz FZNZZPZMAWUMAQ-UHFFFAOYSA-N 1 3 361.490 2.160 20 0 FEADHO CN1CCC(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000064251405 541196983 /nfs/dbraw/zinc/19/69/83/541196983.db2.gz AENCNMRLNKFKMA-UHFFFAOYSA-N 1 3 350.532 2.354 20 0 FEADHO CC(C)[NH+](CCCNC(=O)N1CCCN(C2CCOCC2)CC1)C(C)C ZINC000072518569 541825702 /nfs/dbraw/zinc/82/57/02/541825702.db2.gz MAMCFCBRMIDGQY-UHFFFAOYSA-N 1 3 368.566 2.392 20 0 FEADHO CCN1CCC(NC(=O)CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000072974780 541900715 /nfs/dbraw/zinc/90/07/15/541900715.db2.gz GVGMDZQYGUQQLV-OALUTQOASA-N 1 3 364.578 2.173 20 0 FEADHO CCN1CCC(NC(=O)CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000072974780 541900720 /nfs/dbraw/zinc/90/07/20/541900720.db2.gz GVGMDZQYGUQQLV-OALUTQOASA-N 1 3 364.578 2.173 20 0 FEADHO CC[N@@H+]1CCC[C@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073125499 541921828 /nfs/dbraw/zinc/92/18/28/541921828.db2.gz PMBMWNHHVULMQB-LJQANCHMSA-N 1 3 358.530 2.047 20 0 FEADHO CC[N@H+]1CCC[C@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073125499 541921833 /nfs/dbraw/zinc/92/18/33/541921833.db2.gz PMBMWNHHVULMQB-LJQANCHMSA-N 1 3 358.530 2.047 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000073725231 541992138 /nfs/dbraw/zinc/99/21/38/541992138.db2.gz OIIJGNMMHDBXRZ-INIZCTEOSA-N 1 3 354.564 2.132 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000073725231 541992142 /nfs/dbraw/zinc/99/21/42/541992142.db2.gz OIIJGNMMHDBXRZ-INIZCTEOSA-N 1 3 354.564 2.132 20 0 FEADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000074316006 542068875 /nfs/dbraw/zinc/06/88/75/542068875.db2.gz RUDLUTQCVHTJBT-LJQANCHMSA-N 1 3 363.546 2.212 20 0 FEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000074316006 542068879 /nfs/dbraw/zinc/06/88/79/542068879.db2.gz RUDLUTQCVHTJBT-LJQANCHMSA-N 1 3 363.546 2.212 20 0 FEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000074350740 542072803 /nfs/dbraw/zinc/07/28/03/542072803.db2.gz BVXZAUVDHUULFH-WOJBJXKFSA-N 1 3 356.514 2.387 20 0 FEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000074350740 542072808 /nfs/dbraw/zinc/07/28/08/542072808.db2.gz BVXZAUVDHUULFH-WOJBJXKFSA-N 1 3 356.514 2.387 20 0 FEADHO CCN1CCC(NC(=O)CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000076110193 542233487 /nfs/dbraw/zinc/23/34/87/542233487.db2.gz KPZWPBNUBILSOK-FQEVSTJZSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCC(NC(=O)CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000076110193 542233493 /nfs/dbraw/zinc/23/34/93/542233493.db2.gz KPZWPBNUBILSOK-FQEVSTJZSA-N 1 3 372.557 2.041 20 0 FEADHO CCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C[C@@H]1CCOC1 ZINC000076720035 542317347 /nfs/dbraw/zinc/31/73/47/542317347.db2.gz FCFLSZNIBCXKLZ-IBGZPJMESA-N 1 3 373.541 2.434 20 0 FEADHO C[NH+](C)[C@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC000077541216 542395357 /nfs/dbraw/zinc/39/53/57/542395357.db2.gz ZNNQMOOSBCKQFQ-HXUWFJFHSA-N 1 3 374.529 2.043 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000551584113 674152729 /nfs/dbraw/zinc/15/27/29/674152729.db2.gz GBFOWTSIQUNHEO-ZGKBOVNRSA-N 1 3 361.452 2.494 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000551584113 674152731 /nfs/dbraw/zinc/15/27/31/674152731.db2.gz GBFOWTSIQUNHEO-ZGKBOVNRSA-N 1 3 361.452 2.494 20 0 FEADHO C[C@@H]1C[C@H](NC[C@H]2CCCN2S(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000090799409 542788519 /nfs/dbraw/zinc/78/85/19/542788519.db2.gz ONOJRBWLDPTSOV-BHIYHBOVSA-N 1 3 365.543 2.053 20 0 FEADHO C[C@@H]1C[C@H](NC[C@H]2CCCN2S(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000090799409 542788522 /nfs/dbraw/zinc/78/85/22/542788522.db2.gz ONOJRBWLDPTSOV-BHIYHBOVSA-N 1 3 365.543 2.053 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCOc4ccccc43)CC2)CC1 ZINC000102866982 543083788 /nfs/dbraw/zinc/08/37/88/543083788.db2.gz FCGDJLQJRBHQHS-LJQANCHMSA-N 1 3 357.498 2.228 20 0 FEADHO C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000103317115 543103631 /nfs/dbraw/zinc/10/36/31/543103631.db2.gz RGZZXNAGJODXIM-IBGZPJMESA-N 1 3 374.529 2.397 20 0 FEADHO C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000103317116 543103754 /nfs/dbraw/zinc/10/37/54/543103754.db2.gz RGZZXNAGJODXIM-LJQANCHMSA-N 1 3 374.529 2.397 20 0 FEADHO CC(C)[C@@H](C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)N1CCCCC1 ZINC000104345945 543129338 /nfs/dbraw/zinc/12/93/38/543129338.db2.gz FSBPLDQZSHBODE-FQEVSTJZSA-N 1 3 364.578 2.172 20 0 FEADHO C[C@@H](CNC(=O)NCC1(N2CCSCC2)CCCC1)[N@H+](C)C1CC1 ZINC000105150086 543162525 /nfs/dbraw/zinc/16/25/25/543162525.db2.gz XBKDUYGFFGSXSK-HNNXBMFYSA-N 1 3 354.564 2.130 20 0 FEADHO C[C@@H](CNC(=O)NCC1(N2CCSCC2)CCCC1)[N@@H+](C)C1CC1 ZINC000105150086 543162527 /nfs/dbraw/zinc/16/25/27/543162527.db2.gz XBKDUYGFFGSXSK-HNNXBMFYSA-N 1 3 354.564 2.130 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000106527347 543233646 /nfs/dbraw/zinc/23/36/46/543233646.db2.gz ZBENRWBXKODBCK-SFHVURJKSA-N 1 3 374.529 2.443 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000106527347 543233650 /nfs/dbraw/zinc/23/36/50/543233650.db2.gz ZBENRWBXKODBCK-SFHVURJKSA-N 1 3 374.529 2.443 20 0 FEADHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000108431890 543290055 /nfs/dbraw/zinc/29/00/55/543290055.db2.gz AHOCFHFVGUTNED-FQEVSTJZSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000108431890 543290058 /nfs/dbraw/zinc/29/00/58/543290058.db2.gz AHOCFHFVGUTNED-FQEVSTJZSA-N 1 3 356.514 2.435 20 0 FEADHO C[N@@H+]1CCC[C@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000108556985 543294050 /nfs/dbraw/zinc/29/40/50/543294050.db2.gz VMJPDGYYYMEIPC-QGZVFWFLSA-N 1 3 358.530 2.464 20 0 FEADHO C[N@H+]1CCC[C@H](CNC(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000108556985 543294053 /nfs/dbraw/zinc/29/40/53/543294053.db2.gz VMJPDGYYYMEIPC-QGZVFWFLSA-N 1 3 358.530 2.464 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000111481434 543403677 /nfs/dbraw/zinc/40/36/77/543403677.db2.gz WWQSGKBFJTXKTM-GOSISDBHSA-N 1 3 362.518 2.301 20 0 FEADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCCN2CCOC)c1 ZINC000111845567 543420031 /nfs/dbraw/zinc/42/00/31/543420031.db2.gz CBXPESQXIHONBU-IBGZPJMESA-N 1 3 362.518 2.048 20 0 FEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCCN2CCOC)c1 ZINC000111845567 543420034 /nfs/dbraw/zinc/42/00/34/543420034.db2.gz CBXPESQXIHONBU-IBGZPJMESA-N 1 3 362.518 2.048 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCN(CCC(C)(C)C)CC2)CC1 ZINC000114455560 543516699 /nfs/dbraw/zinc/51/66/99/543516699.db2.gz GOOJBOZIEMTYSJ-UHFFFAOYSA-N 1 3 352.567 2.029 20 0 FEADHO OCCN1CCN(CCCC[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000114506685 543521965 /nfs/dbraw/zinc/52/19/65/543521965.db2.gz MPOJQMQZNRUWDO-UHFFFAOYSA-N 1 3 357.498 2.426 20 0 FEADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000115797617 543586585 /nfs/dbraw/zinc/58/65/85/543586585.db2.gz GHDAJQXQKAXBGX-GOSISDBHSA-N 1 3 358.530 2.418 20 0 FEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000115797617 543586587 /nfs/dbraw/zinc/58/65/87/543586587.db2.gz GHDAJQXQKAXBGX-GOSISDBHSA-N 1 3 358.530 2.418 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000119974108 543673876 /nfs/dbraw/zinc/67/38/76/543673876.db2.gz IKAZZLJWXYDOTB-UHFFFAOYSA-N 1 3 350.463 2.151 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccccc1OC ZINC000129861262 544130209 /nfs/dbraw/zinc/13/02/09/544130209.db2.gz AWJYUVWYUQHMEQ-GOSISDBHSA-N 1 3 362.518 2.253 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccccc1OC ZINC000129861262 544130210 /nfs/dbraw/zinc/13/02/10/544130210.db2.gz AWJYUVWYUQHMEQ-GOSISDBHSA-N 1 3 362.518 2.253 20 0 FEADHO CC[N@@H+]1CC[C@@H](NCCNC(=O)c2ccc(Br)cc2)[C@H](C)C1 ZINC000130124181 544139822 /nfs/dbraw/zinc/13/98/22/544139822.db2.gz ANWPBTSJXJLKNX-CZUORRHYSA-N 1 3 368.319 2.499 20 0 FEADHO CC[N@H+]1CC[C@@H](NCCNC(=O)c2ccc(Br)cc2)[C@H](C)C1 ZINC000130124181 544139826 /nfs/dbraw/zinc/13/98/26/544139826.db2.gz ANWPBTSJXJLKNX-CZUORRHYSA-N 1 3 368.319 2.499 20 0 FEADHO CN(C)C[C@](C)(O)C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000131443526 544190784 /nfs/dbraw/zinc/19/07/84/544190784.db2.gz YLCXGTFASLYUKZ-MRXNPFEDSA-N 1 3 355.276 2.127 20 0 FEADHO C[NH+](C)CCNC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000133634250 544277644 /nfs/dbraw/zinc/27/76/44/544277644.db2.gz MIWLCKUMRXTQPW-UHFFFAOYSA-N 1 3 352.910 2.413 20 0 FEADHO O=C(C[C@@H]1CSCC[NH2+]1)NCC1CCN(Cc2ccccc2F)CC1 ZINC000133740620 544281765 /nfs/dbraw/zinc/28/17/65/544281765.db2.gz XJYQSAWBNXPJAM-QGZVFWFLSA-N 1 3 365.518 2.249 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4ccc(F)cc4C3)CC2)CC1 ZINC000136184003 544368220 /nfs/dbraw/zinc/36/82/20/544368220.db2.gz XWONSHWUIBQMOO-UHFFFAOYSA-N 1 3 374.504 2.452 20 0 FEADHO CSC[C@](C)(O)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150963250 544491230 /nfs/dbraw/zinc/49/12/30/544491230.db2.gz AGBPKBVEBZMONV-LJQANCHMSA-N 1 3 351.560 2.421 20 0 FEADHO CSC[C@](C)(O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000150963250 544491232 /nfs/dbraw/zinc/49/12/32/544491232.db2.gz AGBPKBVEBZMONV-LJQANCHMSA-N 1 3 351.560 2.421 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000154536448 544918769 /nfs/dbraw/zinc/91/87/69/544918769.db2.gz HGXRHSFTRNBMIS-UNMCSNQZSA-N 1 3 373.589 2.299 20 0 FEADHO CN(C)Cc1cccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000154652494 544933258 /nfs/dbraw/zinc/93/32/58/544933258.db2.gz NBZNGOZIRLGFEP-WCRBZPEASA-N 1 3 370.541 2.131 20 0 FEADHO CN(C)Cc1cccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000154652494 544933262 /nfs/dbraw/zinc/93/32/62/544933262.db2.gz NBZNGOZIRLGFEP-WCRBZPEASA-N 1 3 370.541 2.131 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CO)CC(C)(C)C)CC2)CC1 ZINC000553223320 674245994 /nfs/dbraw/zinc/24/59/94/674245994.db2.gz ZSFDLOGUCMCHIZ-QGZVFWFLSA-N 1 3 353.551 2.096 20 0 FEADHO CCCN(C(=O)CCN1CCN(c2cccc(C)c2)CC1)[C@H]1CC[NH2+]C1 ZINC000178919594 327615971 /nfs/dbraw/zinc/61/59/71/327615971.db2.gz LMGUEDKWRLDQPC-FQEVSTJZSA-N 1 3 358.530 2.108 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC3(C)CC[NH2+]CC3)CC2)c1 ZINC000183359678 327813568 /nfs/dbraw/zinc/81/35/68/327813568.db2.gz KDRRPHFJKRCFLE-UHFFFAOYSA-N 1 3 358.530 2.013 20 0 FEADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@H](CCO)C1CCCCC1)c1ccccc1 ZINC000184628513 327876229 /nfs/dbraw/zinc/87/62/29/327876229.db2.gz QVFMTCZLAMNLIX-UXHICEINSA-N 1 3 361.530 2.326 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000186701016 327976828 /nfs/dbraw/zinc/97/68/28/327976828.db2.gz CEPHNHBTQRJXQL-WIYYLYMNSA-N 1 3 359.514 2.300 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000187261648 328011610 /nfs/dbraw/zinc/01/16/10/328011610.db2.gz APYBCUICOMOOCD-UHFFFAOYSA-N 1 3 354.539 2.002 20 0 FEADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000187819343 328048159 /nfs/dbraw/zinc/04/81/59/328048159.db2.gz LGPPVKHIOPRKCD-QUCCMNQESA-N 1 3 358.530 2.490 20 0 FEADHO C[N@@H+]1CCCC[C@H]1CN1CCN(CC2CCC3(CC2)OCCO3)CC1 ZINC000190224595 328195368 /nfs/dbraw/zinc/19/53/68/328195368.db2.gz CAZXREXCAHZDCW-IBGZPJMESA-N 1 3 351.535 2.022 20 0 FEADHO C[N@H+]1CCCC[C@H]1CN1CCN(CC2CCC3(CC2)OCCO3)CC1 ZINC000190224595 328195370 /nfs/dbraw/zinc/19/53/70/328195370.db2.gz CAZXREXCAHZDCW-IBGZPJMESA-N 1 3 351.535 2.022 20 0 FEADHO CCCCNC(=O)[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192728045 328335857 /nfs/dbraw/zinc/33/58/57/328335857.db2.gz XRCIPTNYJAWDDJ-IBGZPJMESA-N 1 3 352.567 2.031 20 0 FEADHO CCCCNC(=O)[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192728045 328335858 /nfs/dbraw/zinc/33/58/58/328335858.db2.gz XRCIPTNYJAWDDJ-IBGZPJMESA-N 1 3 352.567 2.031 20 0 FEADHO Cc1cc(NC(=O)CNC[C@@H]2CCCO2)ccc1OCC[NH+]1CCCC1 ZINC000237707732 328525732 /nfs/dbraw/zinc/52/57/32/328525732.db2.gz WVQBMNBTWPLBPZ-SFHVURJKSA-N 1 3 361.486 2.177 20 0 FEADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NC1CCN(C)CC1 ZINC000084412720 325235373 /nfs/dbraw/zinc/23/53/73/325235373.db2.gz ZRGCKXJVDCJEOM-UHFFFAOYSA-N 1 3 352.445 2.386 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C)[C@H](CO)SC)CC1 ZINC000088727798 325299885 /nfs/dbraw/zinc/29/98/85/325299885.db2.gz UZYJQVFQATXKNS-APWZRJJASA-N 1 3 351.560 2.421 20 0 FEADHO O=C(CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000090046360 325352486 /nfs/dbraw/zinc/35/24/86/325352486.db2.gz HMKZWVBKXDNAHJ-TZIWHRDSSA-N 1 3 370.541 2.332 20 0 FEADHO O=C(CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000090046360 325352488 /nfs/dbraw/zinc/35/24/88/325352488.db2.gz HMKZWVBKXDNAHJ-TZIWHRDSSA-N 1 3 370.541 2.332 20 0 FEADHO C[NH+]1CCC(CCNC(=O)NC2CCN(CCc3ccncc3)CC2)CC1 ZINC000103313187 325514647 /nfs/dbraw/zinc/51/46/47/325514647.db2.gz OPGDGYLMABZBBZ-UHFFFAOYSA-N 1 3 373.545 2.120 20 0 FEADHO C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000112904043 325810993 /nfs/dbraw/zinc/81/09/93/325810993.db2.gz WPEGQOGRUOZIQV-ZDUSSCGKSA-N 1 3 359.873 2.198 20 0 FEADHO C[C@H]1SCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000118480367 326091722 /nfs/dbraw/zinc/09/17/22/326091722.db2.gz ZWBMEIXOCRURNT-HUUCEWRRSA-N 1 3 354.564 2.080 20 0 FEADHO C[C@H]1CCCCN1CCNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000119801191 326199863 /nfs/dbraw/zinc/19/98/63/326199863.db2.gz PFTRTHIXQVXONM-KRWDZBQOSA-N 1 3 362.518 2.301 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000120620212 326273398 /nfs/dbraw/zinc/27/33/98/326273398.db2.gz WDVUJNMAGGSAHF-LJQANCHMSA-N 1 3 372.513 2.164 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000122054605 326382415 /nfs/dbraw/zinc/38/24/15/326382415.db2.gz VHMPPDRQVUNSRT-UHFFFAOYSA-N 1 3 372.513 2.265 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000122054605 326382417 /nfs/dbraw/zinc/38/24/17/326382417.db2.gz VHMPPDRQVUNSRT-UHFFFAOYSA-N 1 3 372.513 2.265 20 0 FEADHO CN(C)Cc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000122359106 326394018 /nfs/dbraw/zinc/39/40/18/326394018.db2.gz ORPOMMJIOGQPIO-UXHICEINSA-N 1 3 359.514 2.246 20 0 FEADHO CCC[NH+]1CCC(CN[C@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000122744034 326407680 /nfs/dbraw/zinc/40/76/80/326407680.db2.gz ALOUFLGUKGGWRK-OAHLLOKOSA-N 1 3 353.532 2.367 20 0 FEADHO C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)([NH+](C)C)C1 ZINC000124743214 326459329 /nfs/dbraw/zinc/45/93/29/326459329.db2.gz FDZDTTPLKGXZNQ-HRAATJIYSA-N 1 3 374.529 2.313 20 0 FEADHO CN(c1ccccc1CNC[C@H](O)COCC1CC1)C1CC[NH+](C)CC1 ZINC000133491091 326609739 /nfs/dbraw/zinc/60/97/39/326609739.db2.gz NMTDUSBILXULJL-FQEVSTJZSA-N 1 3 361.530 2.094 20 0 FEADHO COc1ccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1NC(C)=O ZINC000150987095 326672538 /nfs/dbraw/zinc/67/25/38/326672538.db2.gz MPOUBSCJTJBIEU-HNNXBMFYSA-N 1 3 362.518 2.330 20 0 FEADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000156069252 326816191 /nfs/dbraw/zinc/81/61/91/326816191.db2.gz DWKMCGPKGBGRFF-OALUTQOASA-N 1 3 372.557 2.379 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000158463252 326896701 /nfs/dbraw/zinc/89/67/01/326896701.db2.gz NUILBZXGCXSHMJ-MRXNPFEDSA-N 1 3 359.518 2.248 20 0 FEADHO CC1CC[NH+](Cc2ccccc2CNC(=O)CNC[C@@H]2CCCO2)CC1 ZINC000164583204 327072129 /nfs/dbraw/zinc/07/21/29/327072129.db2.gz IUXYYSRKNQKQDE-FQEVSTJZSA-N 1 3 359.514 2.303 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)C[C@H](C)O1 ZINC000165564475 327078278 /nfs/dbraw/zinc/07/82/78/327078278.db2.gz MLKXAKTZUXYALR-KDURUIRLSA-N 1 3 373.541 2.313 20 0 FEADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000167415791 327084824 /nfs/dbraw/zinc/08/48/24/327084824.db2.gz KGQYLZHJDMMWGO-GIVPXCGWSA-N 1 3 371.525 2.180 20 0 FEADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCCN1CCN(CCO)CC1)CCCO2 ZINC000168927171 327087611 /nfs/dbraw/zinc/08/76/11/327087611.db2.gz KFLMITHHXQJOCL-HXUWFJFHSA-N 1 3 361.530 2.188 20 0 FEADHO CC(C)[NH2+]CCC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000169210554 327087992 /nfs/dbraw/zinc/08/79/92/327087992.db2.gz SRKQASQQRCIHBB-GOSISDBHSA-N 1 3 360.502 2.179 20 0 FEADHO CSCC[C@@H](N)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000169208755 327088030 /nfs/dbraw/zinc/08/80/30/327088030.db2.gz MLIHFBDUHKZWNM-GOSISDBHSA-N 1 3 364.559 2.484 20 0 FEADHO COCCN1CCC(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000171169267 327121872 /nfs/dbraw/zinc/12/18/72/327121872.db2.gz BOGVXDGTPZRHFA-CALCHBBNSA-N 1 3 368.566 2.153 20 0 FEADHO COCCN1CCC(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000171169267 327121874 /nfs/dbraw/zinc/12/18/74/327121874.db2.gz BOGVXDGTPZRHFA-CALCHBBNSA-N 1 3 368.566 2.153 20 0 FEADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171331374 327132563 /nfs/dbraw/zinc/13/25/63/327132563.db2.gz QSONDNZHMHCICX-KZNAEPCWSA-N 1 3 368.566 2.248 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171652603 327151940 /nfs/dbraw/zinc/15/19/40/327151940.db2.gz KSHWGDKLACQIRL-WOJBJXKFSA-N 1 3 358.530 2.429 20 0 FEADHO C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)N1CCCCCC1 ZINC000172753686 327217013 /nfs/dbraw/zinc/21/70/13/327217013.db2.gz GDLSZZAWVRDGJS-IBGZPJMESA-N 1 3 364.578 2.317 20 0 FEADHO CC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000173897580 327292463 /nfs/dbraw/zinc/29/24/63/327292463.db2.gz PQVJIUYLPOBZAG-CEWLAPEOSA-N 1 3 372.557 2.039 20 0 FEADHO CC[N@@H+](C)C[C@H]1CCN([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000173897580 327292465 /nfs/dbraw/zinc/29/24/65/327292465.db2.gz PQVJIUYLPOBZAG-CEWLAPEOSA-N 1 3 372.557 2.039 20 0 FEADHO CC1CCC(N2CCN(C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)CC1 ZINC000173927711 327295318 /nfs/dbraw/zinc/29/53/18/327295318.db2.gz JZPHJRMNLNNZSH-UHFFFAOYSA-N 1 3 362.522 2.173 20 0 FEADHO CN(C)CCn1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)n1 ZINC000173948357 327296948 /nfs/dbraw/zinc/29/69/48/327296948.db2.gz OKQRDODJGVACAO-UHFFFAOYSA-N 1 3 362.522 2.221 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174192780 327311788 /nfs/dbraw/zinc/31/17/88/327311788.db2.gz CAPAHHUHUWZSQF-UXHICEINSA-N 1 3 358.530 2.287 20 0 FEADHO C[C@H](C(=O)NCC1CCCCC1)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174883893 327358011 /nfs/dbraw/zinc/35/80/11/327358011.db2.gz JMGBRSSBVCPZPJ-QUCCMNQESA-N 1 3 364.578 2.173 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)C[C@@H](C)O1 ZINC000178856821 327612000 /nfs/dbraw/zinc/61/20/00/327612000.db2.gz ULPGEIUDWVVLQM-OPYAIIAOSA-N 1 3 373.541 2.467 20 0 FEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000265485896 329131970 /nfs/dbraw/zinc/13/19/70/329131970.db2.gz ACAMUAUCVUDKMF-LJQANCHMSA-N 1 3 362.518 2.048 20 0 FEADHO CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000279091361 330174767 /nfs/dbraw/zinc/17/47/67/330174767.db2.gz WIVSHVODBBBIGB-ZWKOTPCHSA-N 1 3 367.497 2.223 20 0 FEADHO COCC[C@H]1CCC[C@H]1[NH2+]Cc1c(C)nn(C)c1N1CCCN(C)CC1 ZINC000367056809 330212140 /nfs/dbraw/zinc/21/21/40/330212140.db2.gz CCJCSHOWERAGDN-IEBWSBKVSA-N 1 3 363.550 2.165 20 0 FEADHO CC(C)N1CCN(CCC[NH+]2CCC(C(=O)Nc3cccnc3)CC2)CC1 ZINC000367088493 330215795 /nfs/dbraw/zinc/21/57/95/330215795.db2.gz WRSCMOLIMSZERP-UHFFFAOYSA-N 1 3 373.545 2.148 20 0 FEADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000367093774 330215982 /nfs/dbraw/zinc/21/59/82/330215982.db2.gz MLDYQUYWKPKFAF-FQEVSTJZSA-N 1 3 373.545 2.421 20 0 FEADHO C[C@H](NC(=O)[C@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000367117376 330218845 /nfs/dbraw/zinc/21/88/45/330218845.db2.gz OLKYOVSIMYOXEO-WFXMLNOXSA-N 1 3 372.557 2.353 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000367195111 330228320 /nfs/dbraw/zinc/22/83/20/330228320.db2.gz GKWSYLPYIRVJJL-JSXRDJHFSA-N 1 3 371.525 2.026 20 0 FEADHO CCCN1CC[C@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414060519 330258939 /nfs/dbraw/zinc/25/89/39/330258939.db2.gz AVJQNYVJPOKFQW-ZIAGYGMSSA-N 1 3 356.308 2.321 20 0 FEADHO CCc1noc(C)c1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000155644007 545553159 /nfs/dbraw/zinc/55/31/59/545553159.db2.gz AWGVINAWZWCLGF-OAHLLOKOSA-N 1 3 351.495 2.425 20 0 FEADHO CCc1noc(C)c1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000155644007 545553163 /nfs/dbraw/zinc/55/31/63/545553163.db2.gz AWGVINAWZWCLGF-OAHLLOKOSA-N 1 3 351.495 2.425 20 0 FEADHO CCc1noc(C)c1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000155643896 545553580 /nfs/dbraw/zinc/55/35/80/545553580.db2.gz AWGVINAWZWCLGF-HNNXBMFYSA-N 1 3 351.495 2.425 20 0 FEADHO CCc1noc(C)c1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000155643896 545553583 /nfs/dbraw/zinc/55/35/83/545553583.db2.gz AWGVINAWZWCLGF-HNNXBMFYSA-N 1 3 351.495 2.425 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000477494718 561146245 /nfs/dbraw/zinc/14/62/45/561146245.db2.gz AEFGPKLXVQTOAC-UXHICEINSA-N 1 3 374.529 2.186 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000477494718 561146246 /nfs/dbraw/zinc/14/62/46/561146246.db2.gz AEFGPKLXVQTOAC-UXHICEINSA-N 1 3 374.529 2.186 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000477569672 561148254 /nfs/dbraw/zinc/14/82/54/561148254.db2.gz IXDSZQBLUKGOAU-GOSISDBHSA-N 1 3 365.543 2.387 20 0 FEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000477707523 561151533 /nfs/dbraw/zinc/15/15/33/561151533.db2.gz YULMBMUSIUPKGW-KRWDZBQOSA-N 1 3 352.567 2.170 20 0 FEADHO C[C@H](CC(=O)NCc1ccc(CN2CCC(O)CC2)cc1)C1CC[NH2+]CC1 ZINC000167417143 546158731 /nfs/dbraw/zinc/15/87/31/546158731.db2.gz LBDCWRFSUVSJDA-QGZVFWFLSA-N 1 3 373.541 2.285 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2)CC1 ZINC000175846266 546360560 /nfs/dbraw/zinc/36/05/60/546360560.db2.gz VTFDDEYWEKNRQE-UHFFFAOYSA-N 1 3 358.530 2.290 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nnc3n2CCCCC3)[C@@H](C)C1 ZINC000480177534 561204194 /nfs/dbraw/zinc/20/41/94/561204194.db2.gz GAVUHOWHLLVILQ-ZWKOTPCHSA-N 1 3 363.550 2.274 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nnc3n2CCCCC3)[C@@H](C)C1 ZINC000480177534 561204195 /nfs/dbraw/zinc/20/41/95/561204195.db2.gz GAVUHOWHLLVILQ-ZWKOTPCHSA-N 1 3 363.550 2.274 20 0 FEADHO CC(C)[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCS1 ZINC000176382564 546438954 /nfs/dbraw/zinc/43/89/54/546438954.db2.gz PZRSSVUNUYUSDJ-SFHVURJKSA-N 1 3 368.591 2.328 20 0 FEADHO COCCN(C)CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000176441718 546446133 /nfs/dbraw/zinc/44/61/33/546446133.db2.gz SNZLFJBXLDSBHR-NVXWUHKLSA-N 1 3 368.547 2.008 20 0 FEADHO COCCN(C)CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000176441718 546446137 /nfs/dbraw/zinc/44/61/37/546446137.db2.gz SNZLFJBXLDSBHR-NVXWUHKLSA-N 1 3 368.547 2.008 20 0 FEADHO CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CN4CCN3CCC4)cc2)CC1 ZINC000480501658 561210583 /nfs/dbraw/zinc/21/05/83/561210583.db2.gz VYYAICJOFFDJBZ-FQEVSTJZSA-N 1 3 356.514 2.247 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NCCNC(=O)c2cccc(C)c2)[C@H](C)C1 ZINC000480913039 561220124 /nfs/dbraw/zinc/22/01/24/561220124.db2.gz SYJABTJRJDAZSZ-UYAOXDASSA-N 1 3 361.530 2.451 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NCCNC(=O)c2cccc(C)c2)[C@H](C)C1 ZINC000480913039 561220125 /nfs/dbraw/zinc/22/01/25/561220125.db2.gz SYJABTJRJDAZSZ-UYAOXDASSA-N 1 3 361.530 2.451 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)c1 ZINC000177453413 546621761 /nfs/dbraw/zinc/62/17/61/546621761.db2.gz XSPLUEJRIXTYGF-WOJBJXKFSA-N 1 3 372.557 2.496 20 0 FEADHO CN(C)[C@@]1(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCSC1 ZINC000481037468 561223658 /nfs/dbraw/zinc/22/36/58/561223658.db2.gz NGZAUEFOJAEGGN-FUHWJXTLSA-N 1 3 356.580 2.233 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000178812671 546853905 /nfs/dbraw/zinc/85/39/05/546853905.db2.gz GXWASNGMLHAUMJ-VQIMIIECSA-N 1 3 357.502 2.097 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000178812671 546853910 /nfs/dbraw/zinc/85/39/10/546853910.db2.gz GXWASNGMLHAUMJ-VQIMIIECSA-N 1 3 357.502 2.097 20 0 FEADHO CCO[C@@H]1C[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H]1OC ZINC000482506428 561255151 /nfs/dbraw/zinc/25/51/51/561255151.db2.gz ZGQPSVJEBRLHKD-NRSPTQNISA-N 1 3 361.530 2.499 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180939189 547213992 /nfs/dbraw/zinc/21/39/92/547213992.db2.gz QKEIFCDQVXWFFT-ZWKOTPCHSA-N 1 3 352.567 2.124 20 0 FEADHO C[C@H]1CN(CC2CC[NH+](CCC(=O)Nc3cccnc3)CC2)C[C@H](C)O1 ZINC000483569117 561279957 /nfs/dbraw/zinc/27/99/57/561279957.db2.gz SWTDDOIUWHZSEL-IRXDYDNUSA-N 1 3 360.502 2.231 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000183199986 547618839 /nfs/dbraw/zinc/61/88/39/547618839.db2.gz UQAOFOMZOOXSIT-PKOBYXMFSA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000183199986 547618842 /nfs/dbraw/zinc/61/88/42/547618842.db2.gz UQAOFOMZOOXSIT-PKOBYXMFSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000486607800 561352164 /nfs/dbraw/zinc/35/21/64/561352164.db2.gz VMPVFRVIMGHARQ-WIYYLYMNSA-N 1 3 373.541 2.372 20 0 FEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000486607800 561352165 /nfs/dbraw/zinc/35/21/65/561352165.db2.gz VMPVFRVIMGHARQ-WIYYLYMNSA-N 1 3 373.541 2.372 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000486812578 561357387 /nfs/dbraw/zinc/35/73/87/561357387.db2.gz WTFOBKFRHXKQLX-HQRMLTQVSA-N 1 3 359.514 2.403 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000486812578 561357388 /nfs/dbraw/zinc/35/73/88/561357388.db2.gz WTFOBKFRHXKQLX-HQRMLTQVSA-N 1 3 359.514 2.403 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)C2([NH3+])CCCC2)cc1)[C@H]1CCCN(C)C1 ZINC000237186730 548806491 /nfs/dbraw/zinc/80/64/91/548806491.db2.gz XYIIPDDUXOMPKY-KRWDZBQOSA-N 1 3 358.486 2.063 20 0 FEADHO C[NH2+]C[C@@H](C)CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237320019 548817610 /nfs/dbraw/zinc/81/76/10/548817610.db2.gz SFOPHIJCRZPTRJ-PBHICJAKSA-N 1 3 357.420 2.413 20 0 FEADHO COc1cccc([C@H](CNC(=O)[C@H]([NH3+])CCSC)N2CCCC2)c1 ZINC000237327458 548818904 /nfs/dbraw/zinc/81/89/04/548818904.db2.gz QIBCCFXCXRYYPZ-SJORKVTESA-N 1 3 351.516 2.029 20 0 FEADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CNC[C@@H]1CCCO1 ZINC000237519799 548831365 /nfs/dbraw/zinc/83/13/65/548831365.db2.gz WPLLYBKXCORQSF-PXNSSMCTSA-N 1 3 359.514 2.446 20 0 FEADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CNC[C@@H]1CCCO1 ZINC000237519799 548831369 /nfs/dbraw/zinc/83/13/69/548831369.db2.gz WPLLYBKXCORQSF-PXNSSMCTSA-N 1 3 359.514 2.446 20 0 FEADHO [NH3+]Cc1ccc(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000237966114 548868131 /nfs/dbraw/zinc/86/81/31/548868131.db2.gz CTBUBYYQPPJGRU-UHFFFAOYSA-N 1 3 366.509 2.083 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)[C@H](C)C1 ZINC000245589317 548952111 /nfs/dbraw/zinc/95/21/11/548952111.db2.gz AVQBKJTWJNPISG-AKHDSKFASA-N 1 3 366.550 2.002 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)[C@H](C)C1 ZINC000245589317 548952114 /nfs/dbraw/zinc/95/21/14/548952114.db2.gz AVQBKJTWJNPISG-AKHDSKFASA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000245942061 549025851 /nfs/dbraw/zinc/02/58/51/549025851.db2.gz VCQVVLZKIGVPTI-YLJYHZDGSA-N 1 3 359.514 2.267 20 0 FEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000245942061 549025856 /nfs/dbraw/zinc/02/58/56/549025856.db2.gz VCQVVLZKIGVPTI-YLJYHZDGSA-N 1 3 359.514 2.267 20 0 FEADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000246022868 549037771 /nfs/dbraw/zinc/03/77/71/549037771.db2.gz LOBDIQJVBMMTBL-HZPDHXFCSA-N 1 3 353.532 2.497 20 0 FEADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000246022868 549037774 /nfs/dbraw/zinc/03/77/74/549037774.db2.gz LOBDIQJVBMMTBL-HZPDHXFCSA-N 1 3 353.532 2.497 20 0 FEADHO C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CN3CCN2CCC3)CCCC1)c1ccccc1 ZINC000488360803 561388629 /nfs/dbraw/zinc/38/86/29/561388629.db2.gz PGJOHSLUMWCBCA-ICSRJNTNSA-N 1 3 370.541 2.156 20 0 FEADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000246668411 549185528 /nfs/dbraw/zinc/18/55/28/549185528.db2.gz FEVKJOFUIINPRB-RTWAWAEBSA-N 1 3 371.573 2.400 20 0 FEADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000246668411 549185532 /nfs/dbraw/zinc/18/55/32/549185532.db2.gz FEVKJOFUIINPRB-RTWAWAEBSA-N 1 3 371.573 2.400 20 0 FEADHO [NH3+]C[C@@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CC1 ZINC000246704040 549192020 /nfs/dbraw/zinc/19/20/20/549192020.db2.gz WLHMTMJZEZULFY-WBVHZDCISA-N 1 3 355.404 2.295 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)N2CCCC2)c1 ZINC000247065113 549275982 /nfs/dbraw/zinc/27/59/82/549275982.db2.gz HFJXLYHQIUJZIQ-FXAWDEMLSA-N 1 3 374.529 2.473 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)N2CCCC2)c1 ZINC000247065113 549275984 /nfs/dbraw/zinc/27/59/84/549275984.db2.gz HFJXLYHQIUJZIQ-FXAWDEMLSA-N 1 3 374.529 2.473 20 0 FEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000247995169 549399205 /nfs/dbraw/zinc/39/92/05/549399205.db2.gz JVRHJNMZEHRYLF-KNKQGSTJSA-N 1 3 372.557 2.383 20 0 FEADHO C[C@@H]1CN(C(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)C[C@@H](C)O1 ZINC000248400834 549429246 /nfs/dbraw/zinc/42/92/46/549429246.db2.gz QUQOEQBTTNVRMX-XPEFGHIFSA-N 1 3 373.541 2.368 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248779301 549500074 /nfs/dbraw/zinc/50/00/74/549500074.db2.gz HVCJYBSROSLDIM-OJAHFUOMSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248779301 549500078 /nfs/dbraw/zinc/50/00/78/549500078.db2.gz HVCJYBSROSLDIM-OJAHFUOMSA-N 1 3 356.514 2.385 20 0 FEADHO COCCCN(C)CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000252538070 549673042 /nfs/dbraw/zinc/67/30/42/549673042.db2.gz GUQLKCPOYUXQJN-RBUKOAKNSA-N 1 3 368.566 2.251 20 0 FEADHO COCCCN(C)CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000252538070 549673045 /nfs/dbraw/zinc/67/30/45/549673045.db2.gz GUQLKCPOYUXQJN-RBUKOAKNSA-N 1 3 368.566 2.251 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc1)[C@@H]1CCCN(C)C1 ZINC000261695272 549744262 /nfs/dbraw/zinc/74/42/62/549744262.db2.gz CFHFVZFOJTZYAX-VQIMIIECSA-N 1 3 372.513 2.181 20 0 FEADHO O=C(NC[C@H]1CCCN(CCOC2CCCCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000261809752 549757967 /nfs/dbraw/zinc/75/79/67/549757967.db2.gz JMHHZEBJVOGXPR-IEBWSBKVSA-N 1 3 351.535 2.306 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2ccc3ccccc3n2)C1)[C@@H]1CCC[NH2+]1 ZINC000261887770 549766807 /nfs/dbraw/zinc/76/68/07/549766807.db2.gz QEBMKYIHSNJQOV-UZLBHIALSA-N 1 3 352.482 2.315 20 0 FEADHO C[C@@H]1CCCC[C@@H]1OCCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261939401 549772082 /nfs/dbraw/zinc/77/20/82/549772082.db2.gz XECKILSANDXTSI-YRXWBPOGSA-N 1 3 351.535 2.162 20 0 FEADHO CN(c1ccccc1)c1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000262030759 549782500 /nfs/dbraw/zinc/78/25/00/549782500.db2.gz XCNALEMIUQABBT-GOSISDBHSA-N 1 3 367.497 2.136 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC(CC[NH2+]C)CC3)cc2)CC1 ZINC000262082406 549787150 /nfs/dbraw/zinc/78/71/50/549787150.db2.gz QOLDNIRWKZKYNA-UHFFFAOYSA-N 1 3 358.530 2.290 20 0 FEADHO COCC1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]CC1 ZINC000262345384 549813013 /nfs/dbraw/zinc/81/30/13/549813013.db2.gz HPPHQGRGOXZFOB-HKUYNNGSSA-N 1 3 359.514 2.172 20 0 FEADHO COCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC000262345387 549813183 /nfs/dbraw/zinc/81/31/83/549813183.db2.gz HPPHQGRGOXZFOB-IEBWSBKVSA-N 1 3 359.514 2.172 20 0 FEADHO COCC1(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000262355021 549813555 /nfs/dbraw/zinc/81/35/55/549813555.db2.gz JDJXMUNYQHKYND-SFHVURJKSA-N 1 3 359.514 2.126 20 0 FEADHO CCC[C@@](C)([NH3+])C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000262696079 549840034 /nfs/dbraw/zinc/84/00/34/549840034.db2.gz DMFWPEDJVQUILY-OAQYLSRUSA-N 1 3 360.546 2.218 20 0 FEADHO CCC[C@](C)([NH3+])C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000262696078 549840221 /nfs/dbraw/zinc/84/02/21/549840221.db2.gz DMFWPEDJVQUILY-NRFANRHFSA-N 1 3 360.546 2.218 20 0 FEADHO CCC[C@](C)([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000262711684 549841984 /nfs/dbraw/zinc/84/19/84/549841984.db2.gz QVWKUEGQFJOUBC-XLIONFOSSA-N 1 3 360.502 2.309 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263195683 549885184 /nfs/dbraw/zinc/88/51/84/549885184.db2.gz IJWRJBPMUAXPAF-IFMALSPDSA-N 1 3 372.557 2.348 20 0 FEADHO CCOc1ccccc1OCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000490962210 561440972 /nfs/dbraw/zinc/44/09/72/561440972.db2.gz DQPMSFZAKBLAJS-OALUTQOASA-N 1 3 361.530 2.422 20 0 FEADHO CCOc1ccccc1OCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000490962210 561440973 /nfs/dbraw/zinc/44/09/73/561440973.db2.gz DQPMSFZAKBLAJS-OALUTQOASA-N 1 3 361.530 2.422 20 0 FEADHO CN(C)S(=O)(=O)CCCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000491017176 561441836 /nfs/dbraw/zinc/44/18/36/561441836.db2.gz CGIFOOZYPLGQIL-UHFFFAOYSA-N 1 3 367.559 2.112 20 0 FEADHO CN(C)S(=O)(=O)CCCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491017176 561441837 /nfs/dbraw/zinc/44/18/37/561441837.db2.gz CGIFOOZYPLGQIL-UHFFFAOYSA-N 1 3 367.559 2.112 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NCCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000268865753 550125718 /nfs/dbraw/zinc/12/57/18/550125718.db2.gz WLNZXWXIIPCBBD-LPHOPBHVSA-N 1 3 373.497 2.009 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NCCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000268865753 550125719 /nfs/dbraw/zinc/12/57/19/550125719.db2.gz WLNZXWXIIPCBBD-LPHOPBHVSA-N 1 3 373.497 2.009 20 0 FEADHO C[C@@H]1C[C@@H](N[C@@H]2CCCN(S(C)(=O)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000269050264 550149540 /nfs/dbraw/zinc/14/95/40/550149540.db2.gz VSOVTYTUMNNOQU-NZSAHSFTSA-N 1 3 365.543 2.053 20 0 FEADHO C[C@@H]1C[C@@H](N[C@@H]2CCCN(S(C)(=O)=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000269050264 550149541 /nfs/dbraw/zinc/14/95/41/550149541.db2.gz VSOVTYTUMNNOQU-NZSAHSFTSA-N 1 3 365.543 2.053 20 0 FEADHO [NH3+][C@H]1CCC[C@@H](C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000269280157 550175750 /nfs/dbraw/zinc/17/57/50/550175750.db2.gz FBWXFVCPBYMWJP-RTWAWAEBSA-N 1 3 372.557 2.218 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000271838756 550405331 /nfs/dbraw/zinc/40/53/31/550405331.db2.gz FWOGCTLFXNDICA-INIZCTEOSA-N 1 3 357.502 2.168 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000271838756 550405332 /nfs/dbraw/zinc/40/53/32/550405332.db2.gz FWOGCTLFXNDICA-INIZCTEOSA-N 1 3 357.502 2.168 20 0 FEADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1=CCN(C)CC1 ZINC000271900703 550409550 /nfs/dbraw/zinc/40/95/50/550409550.db2.gz OMZKXRIWKVONCQ-PXNSSMCTSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1=CCN(C)CC1 ZINC000271900703 550409552 /nfs/dbraw/zinc/40/95/52/550409552.db2.gz OMZKXRIWKVONCQ-PXNSSMCTSA-N 1 3 356.514 2.458 20 0 FEADHO CN1CCN(CCCNC(=O)[C@@H]2CCCN2C2CC2)[C@@H](c2ccccc2)C1 ZINC000494310593 561466928 /nfs/dbraw/zinc/46/69/28/561466928.db2.gz KNBWEYBKVFAPTK-LEWJYISDSA-N 1 3 370.541 2.108 20 0 FEADHO CN1CCN(CCCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[C@@H](c2ccccc2)C1 ZINC000494310593 561466929 /nfs/dbraw/zinc/46/69/29/561466929.db2.gz KNBWEYBKVFAPTK-LEWJYISDSA-N 1 3 370.541 2.108 20 0 FEADHO CN1CCN(CCCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)[C@@H](c2ccccc2)C1 ZINC000494310593 561466930 /nfs/dbraw/zinc/46/69/30/561466930.db2.gz KNBWEYBKVFAPTK-LEWJYISDSA-N 1 3 370.541 2.108 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)[C@@H]2C1 ZINC000272503456 550453999 /nfs/dbraw/zinc/45/39/99/550453999.db2.gz WBIHOIDMDYCLQT-TZIWHRDSSA-N 1 3 370.541 2.429 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000278427264 550784711 /nfs/dbraw/zinc/78/47/11/550784711.db2.gz YOELAZJCIZOSED-LPHOPBHVSA-N 1 3 355.486 2.300 20 0 FEADHO CCOC(=O)c1oc2c(c1C)[C@H](NCC1(O)CC[NH+](C)CC1)CCC2 ZINC000278699034 550812797 /nfs/dbraw/zinc/81/27/97/550812797.db2.gz KVGIJHPYDPNDOG-CQSZACIVSA-N 1 3 350.459 2.188 20 0 FEADHO C[NH+](C)CCOc1cccc(CNCCN2C(=O)c3ccccc3C2=O)c1 ZINC000278916271 550835811 /nfs/dbraw/zinc/83/58/11/550835811.db2.gz UFAGQOXIRJHORK-UHFFFAOYSA-N 1 3 367.449 2.013 20 0 FEADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000498332538 561522511 /nfs/dbraw/zinc/52/25/11/561522511.db2.gz BOZXQHOJWPPRKX-UHFFFAOYSA-N 1 3 359.514 2.090 20 0 FEADHO CN(CCCN(C)C(=O)NC[C@@]1([NH+](C)C)CCSC1)Cc1ccco1 ZINC000286527536 551896493 /nfs/dbraw/zinc/89/64/93/551896493.db2.gz BRFXUSFPODFCEZ-SFHVURJKSA-N 1 3 368.547 2.180 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000287439314 552004315 /nfs/dbraw/zinc/00/43/15/552004315.db2.gz FXTYMTRYVAJTNN-KPFFTGBYSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000287439314 552004317 /nfs/dbraw/zinc/00/43/17/552004317.db2.gz FXTYMTRYVAJTNN-KPFFTGBYSA-N 1 3 356.514 2.433 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000499764737 561558018 /nfs/dbraw/zinc/55/80/18/561558018.db2.gz CCGBHAGZVDKZND-HKUYNNGSSA-N 1 3 368.566 2.249 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000499764737 561558019 /nfs/dbraw/zinc/55/80/19/561558019.db2.gz CCGBHAGZVDKZND-HKUYNNGSSA-N 1 3 368.566 2.249 20 0 FEADHO COC(=O)CC[C@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000290099928 552427451 /nfs/dbraw/zinc/42/74/51/552427451.db2.gz XNSPTINJLRWIQC-WBVHZDCISA-N 1 3 361.486 2.047 20 0 FEADHO CC[N@@H+]1CC[C@H](NC[C@@](C)(O)Cc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000290265338 552451061 /nfs/dbraw/zinc/45/10/61/552451061.db2.gz VQOBQDARQIJQEZ-SYNHAJSKSA-N 1 3 350.503 2.317 20 0 FEADHO CC[N@H+]1CC[C@H](NC[C@@](C)(O)Cc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000290265338 552451062 /nfs/dbraw/zinc/45/10/62/552451062.db2.gz VQOBQDARQIJQEZ-SYNHAJSKSA-N 1 3 350.503 2.317 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000501050399 561588573 /nfs/dbraw/zinc/58/85/73/561588573.db2.gz BKZZOWHPXAWEBC-SFHVURJKSA-N 1 3 353.551 2.456 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000501050399 561588574 /nfs/dbraw/zinc/58/85/74/561588574.db2.gz BKZZOWHPXAWEBC-SFHVURJKSA-N 1 3 353.551 2.456 20 0 FEADHO COC(=O)c1cc(CNCc2cccc(OCC[NH+](C)C)c2)n(C)c1C ZINC000291020151 552577097 /nfs/dbraw/zinc/57/70/97/552577097.db2.gz ASLXEDMXZMEMCQ-UHFFFAOYSA-N 1 3 359.470 2.350 20 0 FEADHO COCCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000292865331 552766331 /nfs/dbraw/zinc/76/63/31/552766331.db2.gz RYCVVXJBMIQDIE-ZVDOUQERSA-N 1 3 362.514 2.031 20 0 FEADHO COCCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000292865331 552766334 /nfs/dbraw/zinc/76/63/34/552766334.db2.gz RYCVVXJBMIQDIE-ZVDOUQERSA-N 1 3 362.514 2.031 20 0 FEADHO CC[N@@H+]1CC[C@H]2OCCN(C[C@@H]3CN(Cc4ccccc4)CCCO3)[C@H]2C1 ZINC000293187419 552797201 /nfs/dbraw/zinc/79/72/01/552797201.db2.gz HRJVCOQGRAHUDP-FDFHNCONSA-N 1 3 373.541 2.073 20 0 FEADHO CC[N@H+]1CC[C@H]2OCCN(C[C@@H]3CN(Cc4ccccc4)CCCO3)[C@H]2C1 ZINC000293187419 552797202 /nfs/dbraw/zinc/79/72/02/552797202.db2.gz HRJVCOQGRAHUDP-FDFHNCONSA-N 1 3 373.541 2.073 20 0 FEADHO C[C@@H]1CN(c2ccc(C[NH2+]C3CCN(c4ccncc4)CC3)cn2)CCO1 ZINC000294146312 552885569 /nfs/dbraw/zinc/88/55/69/552885569.db2.gz GZMGOAWNGGAXOR-QGZVFWFLSA-N 1 3 367.497 2.460 20 0 FEADHO OC1CCN(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000294750480 552931506 /nfs/dbraw/zinc/93/15/06/552931506.db2.gz DDFFOGYPSTVPTA-ILWGZMRPSA-N 1 3 357.542 2.333 20 0 FEADHO OC1CCN(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000294750480 552931507 /nfs/dbraw/zinc/93/15/07/552931507.db2.gz DDFFOGYPSTVPTA-ILWGZMRPSA-N 1 3 357.542 2.333 20 0 FEADHO OC1CCN(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000294750480 552931508 /nfs/dbraw/zinc/93/15/08/552931508.db2.gz DDFFOGYPSTVPTA-ILWGZMRPSA-N 1 3 357.542 2.333 20 0 FEADHO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)C12CCCCC2 ZINC000502845608 561627521 /nfs/dbraw/zinc/62/75/21/561627521.db2.gz WFQYOXFIBIGIJZ-RTBURBONSA-N 1 3 363.546 2.447 20 0 FEADHO CN(C)C[C@H](NC(=O)Nc1ccnn1CC[NH+](C)C)c1ccc(F)cc1 ZINC000297434341 553291709 /nfs/dbraw/zinc/29/17/09/553291709.db2.gz PGIXVFRYJWXMHU-INIZCTEOSA-N 1 3 362.453 2.008 20 0 FEADHO O=S(=O)(CC[NH2+]C1CCN(c2ccncc2)CC1)CCc1ccccc1 ZINC000298027934 553373603 /nfs/dbraw/zinc/37/36/03/553373603.db2.gz FOEXAFAGKJLJJF-UHFFFAOYSA-N 1 3 373.522 2.298 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(C)c(OC)c1 ZINC000505767366 561680095 /nfs/dbraw/zinc/68/00/95/561680095.db2.gz SVCLJXLIENXKOF-LJQANCHMSA-N 1 3 361.530 2.421 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(C)c(OC)c1 ZINC000505767366 561680097 /nfs/dbraw/zinc/68/00/97/561680097.db2.gz SVCLJXLIENXKOF-LJQANCHMSA-N 1 3 361.530 2.421 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccccc1F ZINC000505825647 561681951 /nfs/dbraw/zinc/68/19/51/561681951.db2.gz PWJLPFSIUBBNCD-MRXNPFEDSA-N 1 3 351.466 2.079 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccccc1F ZINC000505825647 561681952 /nfs/dbraw/zinc/68/19/52/561681952.db2.gz PWJLPFSIUBBNCD-MRXNPFEDSA-N 1 3 351.466 2.079 20 0 FEADHO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506851457 561710228 /nfs/dbraw/zinc/71/02/28/561710228.db2.gz OFPMWWLVEDZJOD-SJLPKXTDSA-N 1 3 363.452 2.497 20 0 FEADHO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506851457 561710229 /nfs/dbraw/zinc/71/02/29/561710229.db2.gz OFPMWWLVEDZJOD-SJLPKXTDSA-N 1 3 363.452 2.497 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1 ZINC000333096508 554571781 /nfs/dbraw/zinc/57/17/81/554571781.db2.gz DCPUVVBTESFSLW-ZCNNSNEGSA-N 1 3 365.562 2.381 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)c(C)c2)CC1 ZINC000333189124 554585758 /nfs/dbraw/zinc/58/57/58/554585758.db2.gz UMXWLYMXLLGMHZ-MSOLQXFVSA-N 1 3 371.529 2.210 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000333507669 554619497 /nfs/dbraw/zinc/61/94/97/554619497.db2.gz FANLEHSDFZHNDL-IBGZPJMESA-N 1 3 371.529 2.329 20 0 FEADHO Cc1cccc(NC(=O)NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1C ZINC000333575999 554624846 /nfs/dbraw/zinc/62/48/46/554624846.db2.gz NCKLYNRVVODJMH-HNNXBMFYSA-N 1 3 358.486 2.416 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000333693703 554634124 /nfs/dbraw/zinc/63/41/24/554634124.db2.gz QASDOXUGLXRCNB-PSBWJHGTSA-N 1 3 366.550 2.035 20 0 FEADHO C[C@@H]1CN(C(=O)NCC2CCN(Cc3cccs3)CC2)CC[C@@H]1[NH3+] ZINC000333826826 554647190 /nfs/dbraw/zinc/64/71/90/554647190.db2.gz RZPDEIMXTOAMOG-PBHICJAKSA-N 1 3 350.532 2.339 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000511232206 561862134 /nfs/dbraw/zinc/86/21/34/561862134.db2.gz RULUAALUHOBWJV-QGZVFWFLSA-N 1 3 366.550 2.169 20 0 FEADHO CN(C)[C@@H]1CCN(C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000360221297 554867559 /nfs/dbraw/zinc/86/75/59/554867559.db2.gz DMHHVVADCFOKOA-HXUWFJFHSA-N 1 3 358.530 2.287 20 0 FEADHO [NH2+]=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1ccc(OC(F)(F)F)cc1 ZINC000360571712 554880678 /nfs/dbraw/zinc/88/06/78/554880678.db2.gz GWMCVRFLWJQTEF-OCCSQVGLSA-N 1 3 358.364 2.385 20 0 FEADHO C[C@@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N1CCC(C)CC1 ZINC000360776909 554889178 /nfs/dbraw/zinc/88/91/78/554889178.db2.gz HYMCFTJOROWLHX-PKOBYXMFSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000362175300 554954027 /nfs/dbraw/zinc/95/40/27/554954027.db2.gz BRXKEHISWBXWBE-ZIFCJYIRSA-N 1 3 350.551 2.480 20 0 FEADHO Cc1nccn1CCC[N@@H+](C)CCN1CCN(Cc2ccccc2)CC1 ZINC000511824855 561881616 /nfs/dbraw/zinc/88/16/16/561881616.db2.gz NGRYAVOJIZQQAE-UHFFFAOYSA-N 1 3 355.530 2.331 20 0 FEADHO Cc1nccn1CCC[N@H+](C)CCN1CCN(Cc2ccccc2)CC1 ZINC000511824855 561881617 /nfs/dbraw/zinc/88/16/17/561881617.db2.gz NGRYAVOJIZQQAE-UHFFFAOYSA-N 1 3 355.530 2.331 20 0 FEADHO CC(C)C[N@@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000363825909 555194272 /nfs/dbraw/zinc/19/42/72/555194272.db2.gz PUCXHTAOCRXENQ-HXUWFJFHSA-N 1 3 360.546 2.069 20 0 FEADHO CC(C)C[N@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000363825909 555194274 /nfs/dbraw/zinc/19/42/74/555194274.db2.gz PUCXHTAOCRXENQ-HXUWFJFHSA-N 1 3 360.546 2.069 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)[C@]3(CCOC)CC[NH2+]C3)c(C)c2)CC1 ZINC000364241796 555277143 /nfs/dbraw/zinc/27/71/43/555277143.db2.gz FTCGRNYAMCXKLO-NRFANRHFSA-N 1 3 374.529 2.092 20 0 FEADHO C[C@@H](C(=O)NCC(F)(F)F)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364983824 555457069 /nfs/dbraw/zinc/45/70/69/555457069.db2.gz JURPTTJCYLXZKY-ZDUSSCGKSA-N 1 3 358.408 2.297 20 0 FEADHO CCC[NH+]1CCC(N2CCN(C(=O)c3ccccc3CN(C)C)CC2)CC1 ZINC000365966857 555713352 /nfs/dbraw/zinc/71/33/52/555713352.db2.gz YUCSVXJHSMHHTF-UHFFFAOYSA-N 1 3 372.557 2.380 20 0 FEADHO CCOCCN1CCN(Cc2ccccc2N2CC[NH+](CC)CC2)C[C@@H]1C ZINC000513628305 561945398 /nfs/dbraw/zinc/94/53/98/561945398.db2.gz IGTIFBDITDICJJ-FQEVSTJZSA-N 1 3 374.573 2.371 20 0 FEADHO C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@@H](N)c1ccccc1 ZINC000366322035 555811617 /nfs/dbraw/zinc/81/16/17/555811617.db2.gz IEVISXUQXNGWJH-AZUAARDMSA-N 1 3 372.557 2.389 20 0 FEADHO CCC[C@@](C)(N)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366323370 555812169 /nfs/dbraw/zinc/81/21/69/555812169.db2.gz LJRRKIFOCBAFTQ-HXUWFJFHSA-N 1 3 352.567 2.159 20 0 FEADHO N[C@H]1C[C@@H]2C[N@H+](CC(Cc3ccccc3)Cc3ccccc3)CCN2C1=O ZINC000514615563 561970146 /nfs/dbraw/zinc/97/01/46/561970146.db2.gz ZQEIBVKVLUBCMZ-YADHBBJMSA-N 1 3 363.505 2.332 20 0 FEADHO N[C@H]1C[C@@H]2C[N@@H+](CC(Cc3ccccc3)Cc3ccccc3)CCN2C1=O ZINC000514615563 561970147 /nfs/dbraw/zinc/97/01/47/561970147.db2.gz ZQEIBVKVLUBCMZ-YADHBBJMSA-N 1 3 363.505 2.332 20 0 FEADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000367532966 556075819 /nfs/dbraw/zinc/07/58/19/556075819.db2.gz GJWNYNBOFIWKQW-JEDBISTDSA-N 1 3 365.543 2.460 20 0 FEADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000367532966 556075820 /nfs/dbraw/zinc/07/58/20/556075820.db2.gz GJWNYNBOFIWKQW-JEDBISTDSA-N 1 3 365.543 2.460 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000367532966 556075821 /nfs/dbraw/zinc/07/58/21/556075821.db2.gz GJWNYNBOFIWKQW-JEDBISTDSA-N 1 3 365.543 2.460 20 0 FEADHO C[C@@H]1CN(CCC(=O)OCc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367582051 556088628 /nfs/dbraw/zinc/08/86/28/556088628.db2.gz HUUIVNULIMVQND-QUCCMNQESA-N 1 3 359.514 2.078 20 0 FEADHO C[C@@H]1C[N@H+](CCC(=O)OCc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000367582051 556088632 /nfs/dbraw/zinc/08/86/32/556088632.db2.gz HUUIVNULIMVQND-QUCCMNQESA-N 1 3 359.514 2.078 20 0 FEADHO C[C@@H]1C[N@@H+](CCC(=O)OCc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000367582051 556088635 /nfs/dbraw/zinc/08/86/35/556088635.db2.gz HUUIVNULIMVQND-QUCCMNQESA-N 1 3 359.514 2.078 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NCC[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000515140507 561997944 /nfs/dbraw/zinc/99/79/44/561997944.db2.gz VAQSYCWBHGUGFP-QGZVFWFLSA-N 1 3 359.518 2.340 20 0 FEADHO O=C(NC1CCN(CCc2ccncc2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368884165 556438774 /nfs/dbraw/zinc/43/87/74/556438774.db2.gz PKJSYEQPQSDHCT-WOJBJXKFSA-N 1 3 371.529 2.015 20 0 FEADHO O=C(NC1CCN(CCc2ccncc2)CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368884165 556438777 /nfs/dbraw/zinc/43/87/77/556438777.db2.gz PKJSYEQPQSDHCT-WOJBJXKFSA-N 1 3 371.529 2.015 20 0 FEADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000369025735 556480800 /nfs/dbraw/zinc/48/08/00/556480800.db2.gz FDLGTKNTWKODKR-UXHICEINSA-N 1 3 374.529 2.191 20 0 FEADHO [NH3+]CCc1nc(C(=O)N2CCc3c2cccc3CN2CCCC2)cs1 ZINC000369144203 556515752 /nfs/dbraw/zinc/51/57/52/556515752.db2.gz NRYTZEHIGCYPRK-UHFFFAOYSA-N 1 3 356.495 2.443 20 0 FEADHO COC(=O)[C@@H]1C[N@H+](CCCN2CCN(C(C)C)CC2)C[C@H]1c1ccccc1 ZINC000369516148 556617391 /nfs/dbraw/zinc/61/73/91/556617391.db2.gz CFMZRFWYEMHFRX-LEWJYISDSA-N 1 3 373.541 2.291 20 0 FEADHO COC(=O)[C@@H]1C[N@@H+](CCCN2CCN(C(C)C)CC2)C[C@H]1c1ccccc1 ZINC000369516148 556617392 /nfs/dbraw/zinc/61/73/92/556617392.db2.gz CFMZRFWYEMHFRX-LEWJYISDSA-N 1 3 373.541 2.291 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000369572558 556635366 /nfs/dbraw/zinc/63/53/66/556635366.db2.gz ZINBAUDEXDYKEZ-UMGGQSCQSA-N 1 3 373.545 2.494 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000369572558 556635369 /nfs/dbraw/zinc/63/53/69/556635369.db2.gz ZINBAUDEXDYKEZ-UMGGQSCQSA-N 1 3 373.545 2.494 20 0 FEADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000369669054 556663865 /nfs/dbraw/zinc/66/38/65/556663865.db2.gz WODDBICSZABCPB-VNTMZGSJSA-N 1 3 356.514 2.415 20 0 FEADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000369669054 556663868 /nfs/dbraw/zinc/66/38/68/556663868.db2.gz WODDBICSZABCPB-VNTMZGSJSA-N 1 3 356.514 2.415 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)CC[N@@H+]1C ZINC000369862732 556715647 /nfs/dbraw/zinc/71/56/47/556715647.db2.gz USIYDVNZAOERKF-YZGWKJHDSA-N 1 3 373.545 2.418 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)CC[N@H+]1C ZINC000369862732 556715649 /nfs/dbraw/zinc/71/56/49/556715649.db2.gz USIYDVNZAOERKF-YZGWKJHDSA-N 1 3 373.545 2.418 20 0 FEADHO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000369871683 556717933 /nfs/dbraw/zinc/71/79/33/556717933.db2.gz LYNKNUKYKGQKCT-KRWDZBQOSA-N 1 3 364.559 2.004 20 0 FEADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000369874188 556718637 /nfs/dbraw/zinc/71/86/37/556718637.db2.gz OTDXOOHAUCAVNK-GUDVDZBRSA-N 1 3 366.550 2.003 20 0 FEADHO CN(C)Cc1cccc(C(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)c1 ZINC000369942147 556736803 /nfs/dbraw/zinc/73/68/03/556736803.db2.gz LPDIAFBUQFTBPP-UHFFFAOYSA-N 1 3 359.514 2.464 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000370051608 556767421 /nfs/dbraw/zinc/76/74/21/556767421.db2.gz XCXCAGLSCIPXNB-SQNIBIBYSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000370051608 556767424 /nfs/dbraw/zinc/76/74/24/556767424.db2.gz XCXCAGLSCIPXNB-SQNIBIBYSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000370056403 556768447 /nfs/dbraw/zinc/76/84/47/556768447.db2.gz QPFAYZUBOQHQLA-HXUWFJFHSA-N 1 3 373.545 2.214 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000370056403 556768451 /nfs/dbraw/zinc/76/84/51/556768451.db2.gz QPFAYZUBOQHQLA-HXUWFJFHSA-N 1 3 373.545 2.214 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000370303797 556835285 /nfs/dbraw/zinc/83/52/85/556835285.db2.gz VBBQDUQGISECEO-MISYRCLQSA-N 1 3 373.545 2.275 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000370303797 556835287 /nfs/dbraw/zinc/83/52/87/556835287.db2.gz VBBQDUQGISECEO-MISYRCLQSA-N 1 3 373.545 2.275 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CCC(OC)CC3)CC2)CC1 ZINC000516784995 562057973 /nfs/dbraw/zinc/05/79/73/562057973.db2.gz SNMZQERWXXRMTH-UHFFFAOYSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)C[C@H](C)O1 ZINC000370653920 556931956 /nfs/dbraw/zinc/93/19/56/556931956.db2.gz VGRJQQMYNUOGOH-JRSUCEMESA-N 1 3 367.578 2.355 20 0 FEADHO CC1(C)CN(C2(CNC(=O)CC3CC[NH2+]CC3)CCCCC2)CCO1 ZINC000370763684 556961335 /nfs/dbraw/zinc/96/13/35/556961335.db2.gz NSVKKDGFRYUOQC-UHFFFAOYSA-N 1 3 351.535 2.306 20 0 FEADHO C[C@H](CC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C)C1CC[NH2+]CC1 ZINC000370774240 556964160 /nfs/dbraw/zinc/96/41/60/556964160.db2.gz RAPJZWAHFMOLDB-PSBWJHGTSA-N 1 3 351.535 2.018 20 0 FEADHO [NH2+]=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1ccccc1OC(F)(F)F ZINC000370815629 556977107 /nfs/dbraw/zinc/97/71/07/556977107.db2.gz ZPJPLKGTSMKHBN-RYUDHWBXSA-N 1 3 358.364 2.385 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000517135450 562076984 /nfs/dbraw/zinc/07/69/84/562076984.db2.gz ZWMXIJQAMHSUEZ-HXUWFJFHSA-N 1 3 374.573 2.465 20 0 FEADHO C[C@H](C(=O)N(C)Cc1ccccc1)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371306785 557139242 /nfs/dbraw/zinc/13/92/42/557139242.db2.gz XWMORQPYHXTCLI-NQIIRXRSSA-N 1 3 372.557 2.134 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cn(C)nc2-c2ccncc2)C1 ZINC000371313537 557142204 /nfs/dbraw/zinc/14/22/04/557142204.db2.gz IGAGTKRDRDXAEM-LJQANCHMSA-N 1 3 357.502 2.415 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000371313193 557142377 /nfs/dbraw/zinc/14/23/77/557142377.db2.gz JWRJHCKKIVUOLZ-GPMSIDNRSA-N 1 3 360.546 2.375 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371313193 557142378 /nfs/dbraw/zinc/14/23/78/557142378.db2.gz JWRJHCKKIVUOLZ-GPMSIDNRSA-N 1 3 360.546 2.375 20 0 FEADHO CCN1CCC[C@@H](NC(=O)N(C)C2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000371517579 557207557 /nfs/dbraw/zinc/20/75/57/557207557.db2.gz OVNGVOZAGGOHRU-LJQANCHMSA-N 1 3 373.545 2.214 20 0 FEADHO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000371605454 557237121 /nfs/dbraw/zinc/23/71/21/557237121.db2.gz QEWNLMQIPBZPMK-MOPGFXCFSA-N 1 3 359.518 2.077 20 0 FEADHO CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000371605454 557237124 /nfs/dbraw/zinc/23/71/24/557237124.db2.gz QEWNLMQIPBZPMK-MOPGFXCFSA-N 1 3 359.518 2.077 20 0 FEADHO CC(C)[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCCCC1 ZINC000371687633 557263177 /nfs/dbraw/zinc/26/31/77/557263177.db2.gz YCHOHNQXNXSHII-PKOBYXMFSA-N 1 3 351.535 2.114 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3cnc(N4CCCC4)nc3)CC2)CC1 ZINC000518512522 562113322 /nfs/dbraw/zinc/11/33/22/562113322.db2.gz MTLFWSNHEPWCAP-UHFFFAOYSA-N 1 3 372.561 2.069 20 0 FEADHO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC1=CCN(C)CC1 ZINC000372140115 557390343 /nfs/dbraw/zinc/39/03/43/557390343.db2.gz KBJRKQQHJSKUMZ-WBVHZDCISA-N 1 3 353.507 2.252 20 0 FEADHO Cc1nc(-c2cccnc2)nc(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000372700724 557541705 /nfs/dbraw/zinc/54/17/05/557541705.db2.gz JYHBHBLDVRPTRX-GOSISDBHSA-N 1 3 366.513 2.736 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C(=O)OC(C)(C)C)CC2)CC1 ZINC000519608008 562136800 /nfs/dbraw/zinc/13/68/00/562136800.db2.gz IAXJHNNTEKKYGP-HNNXBMFYSA-N 1 3 367.534 2.029 20 0 FEADHO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@H](NCc2ccccc2)C1 ZINC000372812347 557567166 /nfs/dbraw/zinc/56/71/66/557567166.db2.gz BJWGXRARZNKCDQ-OALUTQOASA-N 1 3 367.497 2.202 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CC2)C[C@@H](C)O1 ZINC000519776201 562143695 /nfs/dbraw/zinc/14/36/95/562143695.db2.gz ZVVIGQQPWZFXBZ-FPAYPSAMSA-N 1 3 351.535 2.242 20 0 FEADHO COC[C@H](C)OC[C@@H](O)CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000373180759 557645314 /nfs/dbraw/zinc/64/53/14/557645314.db2.gz QAPDVHUGAXJNAT-HBFSDRIKSA-N 1 3 356.551 2.375 20 0 FEADHO COC[C@H](C)OC[C@@H](O)CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000373180759 557645317 /nfs/dbraw/zinc/64/53/17/557645317.db2.gz QAPDVHUGAXJNAT-HBFSDRIKSA-N 1 3 356.551 2.375 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccn4ccnc4c3)CC2)CC1 ZINC000373829368 557768558 /nfs/dbraw/zinc/76/85/58/557768558.db2.gz AUWVMEJRFBQVCV-UHFFFAOYSA-N 1 3 356.474 2.014 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000520960256 562166575 /nfs/dbraw/zinc/16/65/75/562166575.db2.gz WIJDJEYTHJXNEG-IAGOWNOFSA-N 1 3 361.530 2.382 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2)CC1 ZINC000374628751 557909068 /nfs/dbraw/zinc/90/90/68/557909068.db2.gz ZJQXWELOAFEPAP-DFQSSKMNSA-N 1 3 356.514 2.028 20 0 FEADHO COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CCN(C3CCN(C)CC3)C1)CC2 ZINC000375647127 558061800 /nfs/dbraw/zinc/06/18/00/558061800.db2.gz BSFXSMSODVSDFL-VQIMIIECSA-N 1 3 359.514 2.449 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375830930 558086230 /nfs/dbraw/zinc/08/62/30/558086230.db2.gz QGPSPNBVIIOBTD-QWFCFKBJSA-N 1 3 364.578 2.266 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000376577136 558192967 /nfs/dbraw/zinc/19/29/67/558192967.db2.gz AGYNNQQVAPUJTH-LMMKCTJWSA-N 1 3 360.502 2.224 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000376577136 558192969 /nfs/dbraw/zinc/19/29/69/558192969.db2.gz AGYNNQQVAPUJTH-LMMKCTJWSA-N 1 3 360.502 2.224 20 0 FEADHO [NH3+]Cc1ccc(CNC(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000521998723 562188586 /nfs/dbraw/zinc/18/85/86/562188586.db2.gz CPLRAZZJJHZQGB-UHFFFAOYSA-N 1 3 353.470 2.256 20 0 FEADHO CC(C)N(C)C(=O)[C@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377268751 558302621 /nfs/dbraw/zinc/30/26/21/558302621.db2.gz UWBYQSZVCJPRJY-SFHVURJKSA-N 1 3 366.594 2.370 20 0 FEADHO CN(C)Cc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000377324941 558315732 /nfs/dbraw/zinc/31/57/32/558315732.db2.gz VTUITOFTXPFUKB-UHFFFAOYSA-N 1 3 372.557 2.428 20 0 FEADHO CC(C)[NH+]1CCC(N(C)C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000377724838 558405725 /nfs/dbraw/zinc/40/57/25/558405725.db2.gz USOOHUDOUZRPGW-UHFFFAOYSA-N 1 3 351.535 2.353 20 0 FEADHO CC(C)[NH+](CCCNC(=O)N1CCC[C@H]1CN1CCC[C@H]1CO)C(C)C ZINC000378044420 558469211 /nfs/dbraw/zinc/46/92/11/558469211.db2.gz GWCBWZJLRYVOQU-OALUTQOASA-N 1 3 368.566 2.126 20 0 FEADHO CNc1cc(N2CCC[C@@H]2CNC2CC[NH+](C3CCCC3)CC2)ncn1 ZINC000378400399 558548213 /nfs/dbraw/zinc/54/82/13/558548213.db2.gz JCBSTNIUXACTIZ-GOSISDBHSA-N 1 3 358.534 2.484 20 0 FEADHO CNc1cc(N2CCC[C@@H]2C[NH2+]C2CCN(C3CCCC3)CC2)ncn1 ZINC000378400399 558548215 /nfs/dbraw/zinc/54/82/15/558548215.db2.gz JCBSTNIUXACTIZ-GOSISDBHSA-N 1 3 358.534 2.484 20 0 FEADHO Cc1nnc(N2CCC([NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000378630820 558597846 /nfs/dbraw/zinc/59/78/46/558597846.db2.gz HTBNOQKREKPTBW-GASCZTMLSA-N 1 3 367.563 2.294 20 0 FEADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390956426 558613173 /nfs/dbraw/zinc/61/31/73/558613173.db2.gz VYNJJHQMOCQUMR-VAMGGRTRSA-N 1 3 359.514 2.301 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000398025168 558625224 /nfs/dbraw/zinc/62/52/24/558625224.db2.gz DPMNAAAVQMQBST-PNSRMYRDSA-N 1 3 371.525 2.298 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000398025168 558625228 /nfs/dbraw/zinc/62/52/28/558625228.db2.gz DPMNAAAVQMQBST-PNSRMYRDSA-N 1 3 371.525 2.298 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000524467842 562229203 /nfs/dbraw/zinc/22/92/03/562229203.db2.gz UAUKCDXKBVUTEA-SFHVURJKSA-N 1 3 374.529 2.443 20 0 FEADHO Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)ccc1C[NH+](C)C ZINC000411218245 558854877 /nfs/dbraw/zinc/85/48/77/558854877.db2.gz XYEWHOGOADGYCO-SFHVURJKSA-N 1 3 372.513 2.128 20 0 FEADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411229527 558856934 /nfs/dbraw/zinc/85/69/34/558856934.db2.gz USTJJZSJHHNAFF-IBGZPJMESA-N 1 3 374.529 2.376 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000525693380 562252445 /nfs/dbraw/zinc/25/24/45/562252445.db2.gz IUJBQRVLJJDVKT-OAQYLSRUSA-N 1 3 359.514 2.004 20 0 FEADHO CCC1(CC)[C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)[C@@H]1OC ZINC000411638389 558933508 /nfs/dbraw/zinc/93/35/08/558933508.db2.gz ZXECEKABGAAQDF-IPELMVKDSA-N 1 3 353.551 2.405 20 0 FEADHO COC(=O)[C@]1(C)CCC[N@@H+](C[C@@H](C)CN2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412072725 559009808 /nfs/dbraw/zinc/00/98/08/559009808.db2.gz PVLQMKFNKHAVMO-IRTIRVBGSA-N 1 3 368.518 2.173 20 0 FEADHO COC(=O)[C@]1(C)CCC[N@H+](C[C@@H](C)CN2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412072725 559009810 /nfs/dbraw/zinc/00/98/10/559009810.db2.gz PVLQMKFNKHAVMO-IRTIRVBGSA-N 1 3 368.518 2.173 20 0 FEADHO COC(=O)[C@]1(C)CCCN(C[C@@H](C)C[N@@H+]2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412072725 559009811 /nfs/dbraw/zinc/00/98/11/559009811.db2.gz PVLQMKFNKHAVMO-IRTIRVBGSA-N 1 3 368.518 2.173 20 0 FEADHO COC(=O)[C@]1(C)CCCN(C[C@@H](C)C[N@H+]2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412072725 559009813 /nfs/dbraw/zinc/00/98/13/559009813.db2.gz PVLQMKFNKHAVMO-IRTIRVBGSA-N 1 3 368.518 2.173 20 0 FEADHO Cc1ccc2nccc(NCC3(N4CCOCC4)CC[NH+](C)CC3)c2c1 ZINC000413480834 559111125 /nfs/dbraw/zinc/11/11/25/559111125.db2.gz MHOXLTKPBZWNFY-UHFFFAOYSA-N 1 3 354.498 2.174 20 0 FEADHO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)cn1 ZINC000414117466 559149799 /nfs/dbraw/zinc/14/97/99/559149799.db2.gz ZLVKUIBEFJCVFT-UZLBHIALSA-N 1 3 355.482 2.378 20 0 FEADHO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)cn1 ZINC000414117465 559149953 /nfs/dbraw/zinc/14/99/53/559149953.db2.gz ZLVKUIBEFJCVFT-OXQOHEQNSA-N 1 3 355.482 2.378 20 0 FEADHO CN1CCC(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)(N2CCOCC2)CC1 ZINC000414184971 559151899 /nfs/dbraw/zinc/15/18/99/559151899.db2.gz GERHTPQISCQIIJ-PZJWPPBQSA-N 1 3 372.557 2.494 20 0 FEADHO COc1ccsc1[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414187263 559152274 /nfs/dbraw/zinc/15/22/74/559152274.db2.gz IFRHFQLSAOKNHT-HNNXBMFYSA-N 1 3 353.532 2.204 20 0 FEADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000414191449 559152357 /nfs/dbraw/zinc/15/23/57/559152357.db2.gz SMMAZFZGMDGJSB-HZPDHXFCSA-N 1 3 353.532 2.319 20 0 FEADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000414191449 559152359 /nfs/dbraw/zinc/15/23/59/559152359.db2.gz SMMAZFZGMDGJSB-HZPDHXFCSA-N 1 3 353.532 2.319 20 0 FEADHO C[C@@H](NCCC(C)(C)S(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000414262820 559154545 /nfs/dbraw/zinc/15/45/45/559154545.db2.gz OOSHNNWUYYDVEX-OAHLLOKOSA-N 1 3 356.532 2.491 20 0 FEADHO COc1ccc(CN2CCC(C[NH2+]Cc3cnc(N(C)C)n3C)CC2)cc1 ZINC000414300956 559155270 /nfs/dbraw/zinc/15/52/70/559155270.db2.gz MMDWEOGGCOUANN-UHFFFAOYSA-N 1 3 371.529 2.497 20 0 FEADHO Cn1nnc2cc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)ccc21 ZINC000414557371 559171345 /nfs/dbraw/zinc/17/13/45/559171345.db2.gz ZTCGFMBSYPGBEZ-UHFFFAOYSA-N 1 3 365.481 2.085 20 0 FEADHO C[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414701015 559180892 /nfs/dbraw/zinc/18/08/92/559180892.db2.gz KAJLIYNPWGQAJL-NSHDSACASA-N 1 3 360.321 2.140 20 0 FEADHO C[N@@H+](Cc1cccc(Br)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414680136 559179196 /nfs/dbraw/zinc/17/91/96/559179196.db2.gz SRMSKUNPPCCAMA-CQSZACIVSA-N 1 3 354.292 2.078 20 0 FEADHO C[N@H+](Cc1cccc(Br)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414680136 559179197 /nfs/dbraw/zinc/17/91/97/559179197.db2.gz SRMSKUNPPCCAMA-CQSZACIVSA-N 1 3 354.292 2.078 20 0 FEADHO C[N@H+](Cc1cc(Br)cs1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414701015 559180893 /nfs/dbraw/zinc/18/08/93/559180893.db2.gz KAJLIYNPWGQAJL-NSHDSACASA-N 1 3 360.321 2.140 20 0 FEADHO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414700834 559180938 /nfs/dbraw/zinc/18/09/38/559180938.db2.gz GMEWDRWLXLXLKF-UHFFFAOYSA-N 1 3 374.529 2.097 20 0 FEADHO CCC[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CCN1Cc1ccccc1 ZINC000414705554 559181069 /nfs/dbraw/zinc/18/10/69/559181069.db2.gz KPDBICXVDCHVDR-NHCUHLMSSA-N 1 3 372.557 2.170 20 0 FEADHO CCC[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CCN1Cc1ccccc1 ZINC000414705554 559181070 /nfs/dbraw/zinc/18/10/70/559181070.db2.gz KPDBICXVDCHVDR-NHCUHLMSSA-N 1 3 372.557 2.170 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)C1 ZINC000414752447 559184931 /nfs/dbraw/zinc/18/49/31/559184931.db2.gz KROMMCYOYCYGJW-CRAIPNDOSA-N 1 3 361.461 2.060 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)C1 ZINC000414752447 559184932 /nfs/dbraw/zinc/18/49/32/559184932.db2.gz KROMMCYOYCYGJW-CRAIPNDOSA-N 1 3 361.461 2.060 20 0 FEADHO Cc1nn(C)c(OCC(F)(F)F)c1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780377 559187208 /nfs/dbraw/zinc/18/72/08/559187208.db2.gz LKZICSIFVORZFW-KBPBESRZSA-N 1 3 360.424 2.491 20 0 FEADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000414824034 559189629 /nfs/dbraw/zinc/18/96/29/559189629.db2.gz PXGYCQWMYRASCC-MRXNPFEDSA-N 1 3 374.529 2.361 20 0 FEADHO Cc1ccc(-c2nn(-c3ccccc3)cc2CNCCN2CC[NH2+]CC2)o1 ZINC000414875196 559192377 /nfs/dbraw/zinc/19/23/77/559192377.db2.gz ZVKHTMIXTINBNP-UHFFFAOYSA-N 1 3 365.481 2.436 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415064400 559203272 /nfs/dbraw/zinc/20/32/72/559203272.db2.gz CMMROOJWHPHHBA-IEBWSBKVSA-N 1 3 374.554 2.494 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC([NH2+]CCNC(C)(C)C)CC2)cc1 ZINC000415074865 559204203 /nfs/dbraw/zinc/20/42/03/559204203.db2.gz AXWBCERXVMJRAH-UHFFFAOYSA-N 1 3 367.559 2.427 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC(NC[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000415089006 559204591 /nfs/dbraw/zinc/20/45/91/559204591.db2.gz WCFQJFBOMLLXOF-INIZCTEOSA-N 1 3 367.559 2.412 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC000415151045 559209224 /nfs/dbraw/zinc/20/92/24/559209224.db2.gz FCBCZAHQKQLZNX-DOXZYTNZSA-N 1 3 368.481 2.452 20 0 FEADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CC1 ZINC000415377727 559228892 /nfs/dbraw/zinc/22/88/92/559228892.db2.gz BKIWOQUCEHHTFK-INIZCTEOSA-N 1 3 372.513 2.197 20 0 FEADHO CCCC[C@@H](CN)NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415505571 559244609 /nfs/dbraw/zinc/24/46/09/559244609.db2.gz YEYLJXHWUIYJJH-IBGZPJMESA-N 1 3 374.529 2.491 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000415917485 559282572 /nfs/dbraw/zinc/28/25/72/559282572.db2.gz JSSHUKFYHVBGBJ-KRWDZBQOSA-N 1 3 373.545 2.428 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)Nc2ccc(OCC[NH3+])cc2)cc1 ZINC000415935512 559283345 /nfs/dbraw/zinc/28/33/45/559283345.db2.gz JRKFOZZTPMJLKV-UHFFFAOYSA-N 1 3 372.469 2.286 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)C1 ZINC000415990866 559287569 /nfs/dbraw/zinc/28/75/69/559287569.db2.gz DOZBJVPJPBPDPN-BPLDGKMQSA-N 1 3 358.408 2.401 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416029585 559290020 /nfs/dbraw/zinc/29/00/20/559290020.db2.gz LLWHAHFHAKEQBB-YUELXQCFSA-N 1 3 358.408 2.086 20 0 FEADHO CN(C)[C@@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)Cc1ccccc1 ZINC000416827512 559334007 /nfs/dbraw/zinc/33/40/07/559334007.db2.gz CUIXORLTUMOQBV-HXUWFJFHSA-N 1 3 352.482 2.262 20 0 FEADHO COc1cccc([C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)N2CCCC2)c1 ZINC000416842789 559334881 /nfs/dbraw/zinc/33/48/81/559334881.db2.gz JZUDEBFONIRLRI-HZPDHXFCSA-N 1 3 370.444 2.114 20 0 FEADHO CCc1ccc([C@@H](CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)N(C)C)cc1 ZINC000416848890 559335063 /nfs/dbraw/zinc/33/50/63/559335063.db2.gz XHYXJRDXHOGDCY-CVEARBPZSA-N 1 3 354.445 2.148 20 0 FEADHO CO[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)[C@H](C[NH3+])C1 ZINC000416849970 559335109 /nfs/dbraw/zinc/33/51/09/559335109.db2.gz YXCKZHSDOKNRAQ-XHSDSOJGSA-N 1 3 366.531 2.033 20 0 FEADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CNCCC2(F)F)cc1 ZINC000416880860 559336297 /nfs/dbraw/zinc/33/62/97/559336297.db2.gz FFOZJZJLGIEDQP-MRXNPFEDSA-N 1 3 354.445 2.325 20 0 FEADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000416979423 559341635 /nfs/dbraw/zinc/34/16/35/559341635.db2.gz SJKNDCHRDQRXOF-MJGOQNOKSA-N 1 3 358.530 2.462 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)C[C@H]21 ZINC000417017715 559344038 /nfs/dbraw/zinc/34/40/38/559344038.db2.gz HIOHRBJXFQPQCD-XUVXKRRUSA-N 1 3 356.514 2.204 20 0 FEADHO CCC[C@@H]1CNCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417103394 559347913 /nfs/dbraw/zinc/34/79/13/559347913.db2.gz DDIBUFSUUFMWDZ-MRXNPFEDSA-N 1 3 354.564 2.132 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000417192077 559352237 /nfs/dbraw/zinc/35/22/37/559352237.db2.gz KALLKGSHNBTRCC-PCCBWWKXSA-N 1 3 366.509 2.296 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417203424 559352812 /nfs/dbraw/zinc/35/28/12/559352812.db2.gz YPNXPVFJMRVELL-ZCNNSNEGSA-N 1 3 358.530 2.190 20 0 FEADHO COC[C@]1(CNC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CCC[NH2+]1 ZINC000417351053 559358750 /nfs/dbraw/zinc/35/87/50/559358750.db2.gz BQRCISZARCBOSJ-TZIWHRDSSA-N 1 3 374.529 2.200 20 0 FEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000417359896 559358976 /nfs/dbraw/zinc/35/89/76/559358976.db2.gz JDLJWYXFQKYBED-QGZVFWFLSA-N 1 3 350.507 2.142 20 0 FEADHO C[NH2+][C@@H]1CCCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000417375115 559359879 /nfs/dbraw/zinc/35/98/79/559359879.db2.gz BKQFWLGEKHPWHH-MRXNPFEDSA-N 1 3 350.532 2.354 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000417517629 559365734 /nfs/dbraw/zinc/36/57/34/559365734.db2.gz QXTRZUHNVNXZSQ-UHOSZYNNSA-N 1 3 362.518 2.075 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000417520363 559365929 /nfs/dbraw/zinc/36/59/29/559365929.db2.gz XEJGAJWXTSRTBC-QRQLOZEOSA-N 1 3 362.518 2.136 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000417549268 559366575 /nfs/dbraw/zinc/36/65/75/559366575.db2.gz SKSJXDVKRMEFKR-UHFFFAOYSA-N 1 3 368.566 2.487 20 0 FEADHO CO[C@@H]1CCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000417689525 559372640 /nfs/dbraw/zinc/37/26/40/559372640.db2.gz KDFQUGFYHRPECW-PWIZWCRZSA-N 1 3 374.529 2.360 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)Cc2ccccc2C1 ZINC000417737731 559374630 /nfs/dbraw/zinc/37/46/30/559374630.db2.gz OCILFZKAPZQYBW-FQEVSTJZSA-N 1 3 370.541 2.117 20 0 FEADHO C[C@H](CCNC(=O)N[C@@H]1CNCCC1(F)F)[N@H+](C)Cc1ccccc1 ZINC000417817988 559377462 /nfs/dbraw/zinc/37/74/62/559377462.db2.gz RXWFSSGQSUVOSZ-GDBMZVCRSA-N 1 3 354.445 2.193 20 0 FEADHO C[C@H](CCNC(=O)N[C@@H]1CNCCC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000417817988 559377463 /nfs/dbraw/zinc/37/74/63/559377463.db2.gz RXWFSSGQSUVOSZ-GDBMZVCRSA-N 1 3 354.445 2.193 20 0 FEADHO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000417827098 559378032 /nfs/dbraw/zinc/37/80/32/559378032.db2.gz OZSXBCDWLNJEOW-SJORKVTESA-N 1 3 362.518 2.093 20 0 FEADHO [NH3+]C[C@@H](NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CCCC1 ZINC000418073346 559388989 /nfs/dbraw/zinc/38/89/89/559388989.db2.gz MHNDHYCLAVLZRX-WOJBJXKFSA-N 1 3 374.529 2.094 20 0 FEADHO CN(C(=O)NC[C@H]1CCN(Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418098066 559390039 /nfs/dbraw/zinc/39/00/39/559390039.db2.gz APRJNCKJVXZUIA-WRURNZQNSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N(CCC[NH3+])Cc2ccccc2)CCCO1 ZINC000418110240 559390398 /nfs/dbraw/zinc/39/03/98/559390398.db2.gz DRSBLCMHCIZKJQ-SFHVURJKSA-N 1 3 362.518 2.048 20 0 FEADHO CCc1ccccc1[C@@H](N)CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418115450 559390644 /nfs/dbraw/zinc/39/06/44/559390644.db2.gz OQOWKGCISMSKMZ-APWZRJJASA-N 1 3 362.518 2.049 20 0 FEADHO CCc1ccccc1[C@@H](N)CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000418115450 559390645 /nfs/dbraw/zinc/39/06/45/559390645.db2.gz OQOWKGCISMSKMZ-APWZRJJASA-N 1 3 362.518 2.049 20 0 FEADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)C1CC1 ZINC000418141447 559391718 /nfs/dbraw/zinc/39/17/18/559391718.db2.gz LDABUAWXOBJQDP-CVEARBPZSA-N 1 3 354.445 2.179 20 0 FEADHO C[C@H]1CN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC[C@H]1[NH3+] ZINC000418165282 559392621 /nfs/dbraw/zinc/39/26/21/559392621.db2.gz IHARCCZRLUDOKF-HNAYVOBHSA-N 1 3 360.502 2.038 20 0 FEADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000418168440 559392780 /nfs/dbraw/zinc/39/27/80/559392780.db2.gz LYAGLPQVLHZBOP-RDJZCZTQSA-N 1 3 360.502 2.038 20 0 FEADHO C[C@@H](NC(=O)N1CCC(OCCC[NH3+])CC1)[C@H](c1ccccc1)N(C)C ZINC000418191597 559393433 /nfs/dbraw/zinc/39/34/33/559393433.db2.gz XLKUZZOGEGLJAA-VQIMIIECSA-N 1 3 362.518 2.217 20 0 FEADHO CCc1ccc([C@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)N(CC)CC)cc1 ZINC000418218345 559394269 /nfs/dbraw/zinc/39/42/69/559394269.db2.gz QQZIDZGQIDRQHW-OALUTQOASA-N 1 3 362.518 2.001 20 0 FEADHO CCc1ccc([C@@H](CNC(=O)N2CCOC3(CNC3)C2)[NH+](CC)CC)cc1 ZINC000418223447 559394443 /nfs/dbraw/zinc/39/44/43/559394443.db2.gz YWKGCKIGJLLBDH-LJQANCHMSA-N 1 3 374.529 2.016 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418227875 559394560 /nfs/dbraw/zinc/39/45/60/559394560.db2.gz DAEJRUHSTYAVOE-RHSMWYFYSA-N 1 3 350.532 2.310 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N(C)C2CC[NH2+]CC2)N(C)C)cc1 ZINC000418230248 559394660 /nfs/dbraw/zinc/39/46/60/559394660.db2.gz IYOYBSDXXHXOAD-QGZVFWFLSA-N 1 3 350.532 2.405 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@](C)(C[NH3+])C2)N(C)C)cc1 ZINC000418229944 559394679 /nfs/dbraw/zinc/39/46/79/559394679.db2.gz ILLXJRBLDPTGOB-WMZOPIPTSA-N 1 3 350.532 2.392 20 0 FEADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000418234741 559394882 /nfs/dbraw/zinc/39/48/82/559394882.db2.gz QXDQEDYGDMZVLR-NVXWUHKLSA-N 1 3 350.532 2.405 20 0 FEADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000418240146 559395229 /nfs/dbraw/zinc/39/52/29/559395229.db2.gz IHHPJHRXJALCGV-MOPGFXCFSA-N 1 3 356.514 2.292 20 0 FEADHO CN(CC[NH3+])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000418302227 559396878 /nfs/dbraw/zinc/39/68/78/559396878.db2.gz ZNACVEHNIBLWOK-VQTJNVASSA-N 1 3 370.472 2.394 20 0 FEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418339457 559398200 /nfs/dbraw/zinc/39/82/00/559398200.db2.gz MMKGLSLMDKBQFP-OAHLLOKOSA-N 1 3 352.910 2.413 20 0 FEADHO O=C(NCC[C@H]1CC[NH2+]C1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418339645 559398208 /nfs/dbraw/zinc/39/82/08/559398208.db2.gz MOJCFJHDOWDTEU-WIYYLYMNSA-N 1 3 356.514 2.294 20 0 FEADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418422132 559400971 /nfs/dbraw/zinc/40/09/71/559400971.db2.gz CIXHZPSPIJZIDP-SCTDSRPQSA-N 1 3 368.566 2.281 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418534379 559405082 /nfs/dbraw/zinc/40/50/82/559405082.db2.gz FYIDKNVKPHBLFE-IBGZPJMESA-N 1 3 368.472 2.428 20 0 FEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(CCN(C)C)C(C)C)cc1 ZINC000418538696 559405443 /nfs/dbraw/zinc/40/54/43/559405443.db2.gz DZPSAKCYDOHJMM-OALUTQOASA-N 1 3 362.518 2.122 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)NCc2ccc3c(c2)C[NH2+]C3)o1 ZINC000418549612 559405699 /nfs/dbraw/zinc/40/56/99/559405699.db2.gz FQZHTQNLSXPBGJ-UHFFFAOYSA-N 1 3 356.470 2.465 20 0 FEADHO CCN1CCCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000418558450 559406112 /nfs/dbraw/zinc/40/61/12/559406112.db2.gz BSGYEELBFTYQKH-YJBOKZPZSA-N 1 3 366.456 2.148 20 0 FEADHO CC(C)N(CCN(C)C)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418556475 559406196 /nfs/dbraw/zinc/40/61/96/559406196.db2.gz AMGLXKPTMJCSKZ-YJBOKZPZSA-N 1 3 368.472 2.392 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC[NH2+]1 ZINC000418611186 559407819 /nfs/dbraw/zinc/40/78/19/559407819.db2.gz UUYPUAQGTASLPY-YFVAEKQCSA-N 1 3 356.514 2.435 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000418615952 559407991 /nfs/dbraw/zinc/40/79/91/559407991.db2.gz HPTRKAFGXVJWKX-LJQANCHMSA-N 1 3 362.518 2.286 20 0 FEADHO C[C@@H]1CN(C(=O)NC[C@@H]2NCCc3ccccc32)CC[N@@H+](C2CCC2)C1 ZINC000418630618 559408565 /nfs/dbraw/zinc/40/85/65/559408565.db2.gz FPWGXJJFSATKNL-JXFKEZNVSA-N 1 3 356.514 2.389 20 0 FEADHO C[C@@H]1CN(C(=O)NC[C@@H]2NCCc3ccccc32)CC[N@H+](C2CCC2)C1 ZINC000418630618 559408566 /nfs/dbraw/zinc/40/85/66/559408566.db2.gz FPWGXJJFSATKNL-JXFKEZNVSA-N 1 3 356.514 2.389 20 0 FEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000418629504 559408601 /nfs/dbraw/zinc/40/86/01/559408601.db2.gz DHISPCGBHMUZCN-FXAWDEMLSA-N 1 3 356.514 2.247 20 0 FEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000418629504 559408602 /nfs/dbraw/zinc/40/86/02/559408602.db2.gz DHISPCGBHMUZCN-FXAWDEMLSA-N 1 3 356.514 2.247 20 0 FEADHO CCc1ccccc1[C@@H](N)CNC(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000418660790 559410351 /nfs/dbraw/zinc/41/03/51/559410351.db2.gz ZMBDNPZSHCOIQX-BJLQDIEVSA-N 1 3 374.529 2.144 20 0 FEADHO C[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCN1Cc1ccccc1 ZINC000418751902 559413996 /nfs/dbraw/zinc/41/39/96/559413996.db2.gz FYKZZXSZIYWBKG-DOTOQJQBSA-N 1 3 366.456 2.290 20 0 FEADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000419173822 559431229 /nfs/dbraw/zinc/43/12/29/559431229.db2.gz UOODNSGZFXREOJ-VQIMIIECSA-N 1 3 374.529 2.093 20 0 FEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000420312477 559479736 /nfs/dbraw/zinc/47/97/36/559479736.db2.gz HTEJHTVVQKYBKC-IAGOWNOFSA-N 1 3 355.486 2.155 20 0 FEADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000420312477 559479737 /nfs/dbraw/zinc/47/97/37/559479737.db2.gz HTEJHTVVQKYBKC-IAGOWNOFSA-N 1 3 355.486 2.155 20 0 FEADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000420312477 559479738 /nfs/dbraw/zinc/47/97/38/559479738.db2.gz HTEJHTVVQKYBKC-IAGOWNOFSA-N 1 3 355.486 2.155 20 0 FEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000420313082 559479888 /nfs/dbraw/zinc/47/98/88/559479888.db2.gz ILZRHCKQJNAOGW-HNBVOPMISA-N 1 3 361.530 2.311 20 0 FEADHO C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320601 559480156 /nfs/dbraw/zinc/48/01/56/559480156.db2.gz BNBVPXAILJCPIJ-RBSFLKMASA-N 1 3 362.449 2.184 20 0 FEADHO C[C@H](c1nc(-c2ccccc2)no1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420327812 559480852 /nfs/dbraw/zinc/48/08/52/559480852.db2.gz ZFVTUMRIVIFYHZ-IAGOWNOFSA-N 1 3 355.486 2.415 20 0 FEADHO CCCOc1cccc(CNC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420334219 559481540 /nfs/dbraw/zinc/48/15/40/559481540.db2.gz UACLJSURCJCJDJ-RBUKOAKNSA-N 1 3 359.514 2.413 20 0 FEADHO FC(F)(F)c1cccc(OCCCN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346190 559482032 /nfs/dbraw/zinc/48/20/32/559482032.db2.gz CJLBNMIXZUZEHQ-MRXNPFEDSA-N 1 3 357.420 2.454 20 0 FEADHO NC(=O)c1ccc(NC(=O)CCN[C@@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000420352986 559482477 /nfs/dbraw/zinc/48/24/77/559482477.db2.gz ACBWWLLKOLQCOI-INIZCTEOSA-N 1 3 366.893 2.265 20 0 FEADHO Cc1ccc(CN2CCCN(C(=O)CN[C@@H]3[C@H](C)CC[NH2+][C@H]3C)CC2)cc1 ZINC000420380124 559484213 /nfs/dbraw/zinc/48/42/13/559484213.db2.gz YCKJIBXUTFQJPS-XQBPLPMBSA-N 1 3 372.557 2.005 20 0 FEADHO CCN1CCC([N@@H+]2CCCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000420978169 559516428 /nfs/dbraw/zinc/51/64/28/559516428.db2.gz JAYXQCUXOOGBOG-NRFANRHFSA-N 1 3 370.541 2.284 20 0 FEADHO CCN1CCC([N@H+]2CCCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000420978169 559516429 /nfs/dbraw/zinc/51/64/29/559516429.db2.gz JAYXQCUXOOGBOG-NRFANRHFSA-N 1 3 370.541 2.284 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C(=O)NC)cc3)CC2)CC1 ZINC000420978620 559516627 /nfs/dbraw/zinc/51/66/27/559516627.db2.gz JHTQXWZVOSEHMY-UHFFFAOYSA-N 1 3 358.530 2.038 20 0 FEADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C(=O)NC)cc3)CC2)CC1 ZINC000420978620 559516628 /nfs/dbraw/zinc/51/66/28/559516628.db2.gz JHTQXWZVOSEHMY-UHFFFAOYSA-N 1 3 358.530 2.038 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C(=O)NC)cc3)CC2)CC1 ZINC000420978620 559516629 /nfs/dbraw/zinc/51/66/29/559516629.db2.gz JHTQXWZVOSEHMY-UHFFFAOYSA-N 1 3 358.530 2.038 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)CC1 ZINC000421013429 559519474 /nfs/dbraw/zinc/51/94/74/559519474.db2.gz QZEAXBLLGIAVDI-OALUTQOASA-N 1 3 364.578 2.268 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)CC1 ZINC000421013429 559519475 /nfs/dbraw/zinc/51/94/75/559519475.db2.gz QZEAXBLLGIAVDI-OALUTQOASA-N 1 3 364.578 2.268 20 0 FEADHO COC1([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCCCC1 ZINC000421852031 559554944 /nfs/dbraw/zinc/55/49/44/559554944.db2.gz GORSQABBJMLCNF-GOSISDBHSA-N 1 3 353.551 2.110 20 0 FEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000422728102 559604622 /nfs/dbraw/zinc/60/46/22/559604622.db2.gz FBPIUCLOEKLUDV-WFASDCNBSA-N 1 3 354.292 2.157 20 0 FEADHO Fc1ccc(N2CCN(CCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422814386 559607240 /nfs/dbraw/zinc/60/72/40/559607240.db2.gz UOSZAWXYJZVQOH-NJYVYQBISA-N 1 3 360.521 2.458 20 0 FEADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000422839046 559608096 /nfs/dbraw/zinc/60/80/96/559608096.db2.gz PPIZHPCNURZDEG-YLJYHZDGSA-N 1 3 374.573 2.161 20 0 FEADHO COc1cc(OC)c(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000422890847 559609971 /nfs/dbraw/zinc/60/99/71/559609971.db2.gz UATDVACUEKDIEG-KZNAEPCWSA-N 1 3 364.486 2.002 20 0 FEADHO COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)CCOCC1 ZINC000422898871 559610412 /nfs/dbraw/zinc/61/04/12/559610412.db2.gz NCVQGBFTLNVGML-JENIJYKNSA-N 1 3 362.514 2.394 20 0 FEADHO COc1ccc(C)cc1C1(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CCOCC1 ZINC000422898871 559610413 /nfs/dbraw/zinc/61/04/13/559610413.db2.gz NCVQGBFTLNVGML-JENIJYKNSA-N 1 3 362.514 2.394 20 0 FEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000422940293 559612167 /nfs/dbraw/zinc/61/21/67/559612167.db2.gz GVKLYNWVWKXKOC-HKUYNNGSSA-N 1 3 365.543 2.194 20 0 FEADHO CC[C@@H](NCc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423193690 559622472 /nfs/dbraw/zinc/62/24/72/559622472.db2.gz VWYUCYDIYPLHQB-UXHICEINSA-N 1 3 358.530 2.004 20 0 FEADHO COc1ccc2c(c1)CCC[C@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423388023 559627469 /nfs/dbraw/zinc/62/74/69/559627469.db2.gz MNTVSVZYHQNEJF-IAGOWNOFSA-N 1 3 357.420 2.498 20 0 FEADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(-n2ccnc2)cc1 ZINC000423389020 559627474 /nfs/dbraw/zinc/62/74/74/559627474.db2.gz NFUSUMKBZTWSDN-RHSMWYFYSA-N 1 3 367.419 2.359 20 0 FEADHO C[C@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)N(C)Cc1ccccc1 ZINC000423413531 559628320 /nfs/dbraw/zinc/62/83/20/559628320.db2.gz ZJJROXJWPDUFCN-VQIMIIECSA-N 1 3 355.486 2.058 20 0 FEADHO C[C@H]1CC[NH2+][C@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000423428751 559628931 /nfs/dbraw/zinc/62/89/31/559628931.db2.gz RPCNCJOHUKLWIP-KXBFYZLASA-N 1 3 363.477 2.173 20 0 FEADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@H]3CSCC[NH2+]3)c2)CC1 ZINC000423855395 559643062 /nfs/dbraw/zinc/64/30/62/559643062.db2.gz WRDSZFLIGNJTLI-KRWDZBQOSA-N 1 3 362.543 2.251 20 0 FEADHO CN(Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000423991698 559649343 /nfs/dbraw/zinc/64/93/43/559649343.db2.gz MUVJEVGKFPDWJB-HXUWFJFHSA-N 1 3 353.466 2.037 20 0 FEADHO [NH3+]CC[C@H](NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C(F)(F)F ZINC000424414023 559663709 /nfs/dbraw/zinc/66/37/09/559663709.db2.gz FPUUWUCDUMXNGW-XHSDSOJGSA-N 1 3 370.419 2.182 20 0 FEADHO COc1cnccc1N1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424429355 559664275 /nfs/dbraw/zinc/66/42/75/559664275.db2.gz WQDPQJBBSABFAS-UHFFFAOYSA-N 1 3 355.442 2.211 20 0 FEADHO CC[NH+]1CCC(NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000425492151 559705405 /nfs/dbraw/zinc/70/54/05/559705405.db2.gz MYNBVWYDSSVHSW-AZUAARDMSA-N 1 3 356.514 2.387 20 0 FEADHO COc1cccc2c1CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C2 ZINC000426015701 559727805 /nfs/dbraw/zinc/72/78/05/559727805.db2.gz ICNUZRJWHOFUFB-HKUYNNGSSA-N 1 3 361.530 2.235 20 0 FEADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)C[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427265834 559751730 /nfs/dbraw/zinc/75/17/30/559751730.db2.gz PEYJDLYWZWGWHS-FUHWJXTLSA-N 1 3 372.513 2.102 20 0 FEADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000429022881 559788965 /nfs/dbraw/zinc/78/89/65/559788965.db2.gz CXCPHCQXZVLDSY-RMVXJAJNSA-N 1 3 372.557 2.068 20 0 FEADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000429022881 559788966 /nfs/dbraw/zinc/78/89/66/559788966.db2.gz CXCPHCQXZVLDSY-RMVXJAJNSA-N 1 3 372.557 2.068 20 0 FEADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000430556794 559822365 /nfs/dbraw/zinc/82/23/65/559822365.db2.gz VJYUCVMVNBKGMD-OAHLLOKOSA-N 1 3 354.882 2.073 20 0 FEADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000430646949 559825579 /nfs/dbraw/zinc/82/55/79/559825579.db2.gz PONCHBSFNGFOGT-FQEVSTJZSA-N 1 3 372.557 2.483 20 0 FEADHO COCC[C@]1(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CC[NH2+]C1 ZINC000430809625 559828539 /nfs/dbraw/zinc/82/85/39/559828539.db2.gz IELWFPZNVMUZJI-KVSKMBFKSA-N 1 3 365.543 2.263 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC([C@H](C)[NH3+])CC2)cc1F ZINC000430936217 559830863 /nfs/dbraw/zinc/83/08/63/559830863.db2.gz SYOFCJHMXNJIHP-UONOGXRCSA-N 1 3 351.466 2.240 20 0 FEADHO COCC[C@]1(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000431008064 559832252 /nfs/dbraw/zinc/83/22/52/559832252.db2.gz RBFOTTUTGCMXIY-WIYYLYMNSA-N 1 3 359.514 2.126 20 0 FEADHO C[C@@H](NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccc2c(c1)OCCO2 ZINC000431014804 559832376 /nfs/dbraw/zinc/83/23/76/559832376.db2.gz POICSBUTVOCZAM-CVEARBPZSA-N 1 3 373.497 2.099 20 0 FEADHO CN1CCN(CCCNC(=O)C2(C[NH3+])CCCC2)[C@H](c2ccccc2)C1 ZINC000431023327 559832525 /nfs/dbraw/zinc/83/25/25/559832525.db2.gz QUJJDLNAPXGBEL-IBGZPJMESA-N 1 3 358.530 2.001 20 0 FEADHO C[C@H]1C[N@H+](CCCNC(=O)N2CCN(C3CCCCC3)CC2)CCCO1 ZINC000433457401 559881844 /nfs/dbraw/zinc/88/18/44/559881844.db2.gz ZZEZYZZSNVNZMD-SFHVURJKSA-N 1 3 366.550 2.147 20 0 FEADHO C[C@H]1C[N@@H+](CCCNC(=O)N2CCN(C3CCCCC3)CC2)CCCO1 ZINC000433457401 559881845 /nfs/dbraw/zinc/88/18/45/559881845.db2.gz ZZEZYZZSNVNZMD-SFHVURJKSA-N 1 3 366.550 2.147 20 0 FEADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCCOc1cccc(Cl)c1 ZINC000436050903 559934293 /nfs/dbraw/zinc/93/42/93/559934293.db2.gz JFNUMMYJCNUJBT-INIZCTEOSA-N 1 3 353.894 2.428 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CN1C1CC1 ZINC000441078804 560022946 /nfs/dbraw/zinc/02/29/46/560022946.db2.gz XIQDFQQYCAJNGZ-YJBOKZPZSA-N 1 3 356.514 2.010 20 0 FEADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000442859674 560059829 /nfs/dbraw/zinc/05/98/29/560059829.db2.gz AQZQAOAGSLOQGS-INIZCTEOSA-N 1 3 362.518 2.028 20 0 FEADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444268447 560107521 /nfs/dbraw/zinc/10/75/21/560107521.db2.gz JTSUKJBRCFFVBT-PZJWPPBQSA-N 1 3 354.498 2.157 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446271532 560143315 /nfs/dbraw/zinc/14/33/15/560143315.db2.gz LESJHVQEBLNMTH-DBXWQHBBSA-N 1 3 365.562 2.489 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446271532 560143316 /nfs/dbraw/zinc/14/33/16/560143316.db2.gz LESJHVQEBLNMTH-DBXWQHBBSA-N 1 3 365.562 2.489 20 0 FEADHO CC(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)C(=O)NCCN(C)C ZINC000448022909 560176169 /nfs/dbraw/zinc/17/61/69/560176169.db2.gz QOCNKNXZTMCSCY-KURKYZTESA-N 1 3 363.550 2.128 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000527766768 562303100 /nfs/dbraw/zinc/30/31/00/562303100.db2.gz FGKXQCFDNHTNOV-IBGZPJMESA-N 1 3 366.550 2.194 20 0 FEADHO CN(C)[C@H](CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)Cc1ccccc1 ZINC000449311863 560224869 /nfs/dbraw/zinc/22/48/69/560224869.db2.gz NZGTWNCLECDHKL-RBBKRZOGSA-N 1 3 351.494 2.207 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCOC[C@H]2OC)CC1 ZINC000449461847 560231022 /nfs/dbraw/zinc/23/10/22/560231022.db2.gz UAUAXUVEMYRSPG-PZJWPPBQSA-N 1 3 361.530 2.360 20 0 FEADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000453662761 560394556 /nfs/dbraw/zinc/39/45/56/560394556.db2.gz DPDGPBODRPKWKV-MDASCCDHSA-N 1 3 372.513 2.019 20 0 FEADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CCCCN3Cc3ccccc3)C[C@@H]21 ZINC000454401679 560443096 /nfs/dbraw/zinc/44/30/96/560443096.db2.gz XILFYJQRRUCTLD-AQNXPRMDSA-N 1 3 356.514 2.387 20 0 FEADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CCCCN3Cc3ccccc3)C[C@@H]21 ZINC000454401679 560443097 /nfs/dbraw/zinc/44/30/97/560443097.db2.gz XILFYJQRRUCTLD-AQNXPRMDSA-N 1 3 356.514 2.387 20 0 FEADHO CN1CC[C@@H]2CN(C(=O)NCc3ccc(OCC[NH+]4CCCC4)cc3)C[C@@H]21 ZINC000454492664 560446718 /nfs/dbraw/zinc/44/67/18/560446718.db2.gz VBZLBCGVJRMWNB-QUCCMNQESA-N 1 3 372.513 2.007 20 0 FEADHO C[C@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454770067 560457580 /nfs/dbraw/zinc/45/75/80/560457580.db2.gz NIFNYKFADBJVAM-FRYIKTPZSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454770067 560457581 /nfs/dbraw/zinc/45/75/81/560457581.db2.gz NIFNYKFADBJVAM-FRYIKTPZSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000457956141 560596382 /nfs/dbraw/zinc/59/63/82/560596382.db2.gz OWRJBXUWAPLRDF-RMJJICAUSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000457956141 560596383 /nfs/dbraw/zinc/59/63/83/560596383.db2.gz OWRJBXUWAPLRDF-RMJJICAUSA-N 1 3 350.551 2.480 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@H]2CCN(C(C)C)C2)[C@@H](C)C1 ZINC000458407529 560620703 /nfs/dbraw/zinc/62/07/03/560620703.db2.gz LFXDHDCDRKTPRB-FHWLQOOXSA-N 1 3 368.566 2.248 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)[C@H]2CCN(C(C)C)C2)[C@@H](C)C1 ZINC000458407529 560620704 /nfs/dbraw/zinc/62/07/04/560620704.db2.gz LFXDHDCDRKTPRB-FHWLQOOXSA-N 1 3 368.566 2.248 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)N(C)C)cc1 ZINC000458897216 560654811 /nfs/dbraw/zinc/65/48/11/560654811.db2.gz OZTGMBTZXTWBBI-CGTJXYLNSA-N 1 3 362.543 2.357 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)N(C)C)cc1 ZINC000458897216 560654813 /nfs/dbraw/zinc/65/48/13/560654813.db2.gz OZTGMBTZXTWBBI-CGTJXYLNSA-N 1 3 362.543 2.357 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC1CC(F)(F)C1 ZINC000459127338 560668608 /nfs/dbraw/zinc/66/86/08/560668608.db2.gz AXNVXUSBKWNXMK-MRXNPFEDSA-N 1 3 360.493 2.479 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC1CC(F)(F)C1 ZINC000459127338 560668609 /nfs/dbraw/zinc/66/86/09/560668609.db2.gz AXNVXUSBKWNXMK-MRXNPFEDSA-N 1 3 360.493 2.479 20 0 FEADHO CN(C)C[C@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000459283025 560677406 /nfs/dbraw/zinc/67/74/06/560677406.db2.gz DDLJICMUWDSHFA-YJBOKZPZSA-N 1 3 350.482 2.460 20 0 FEADHO CN(C)C[C@H](NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000459283025 560677407 /nfs/dbraw/zinc/67/74/07/560677407.db2.gz DDLJICMUWDSHFA-YJBOKZPZSA-N 1 3 350.482 2.460 20 0 FEADHO CCC[NH+]1CCC(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000462053721 560794187 /nfs/dbraw/zinc/79/41/87/560794187.db2.gz UMHQVWNNZFAPTB-UHFFFAOYSA-N 1 3 372.557 2.498 20 0 FEADHO CN1CCN(Cc2ccc(CNC(=O)CC3(C[NH3+])CCCCC3)cc2)CC1 ZINC000463495803 560817190 /nfs/dbraw/zinc/81/71/90/560817190.db2.gz WLNRLFVAWRPJMU-UHFFFAOYSA-N 1 3 372.557 2.350 20 0 FEADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000466218065 560882011 /nfs/dbraw/zinc/88/20/11/560882011.db2.gz PMGWDRURSMQFJN-YVWKXTFCSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000466218065 560882012 /nfs/dbraw/zinc/88/20/12/560882012.db2.gz PMGWDRURSMQFJN-YVWKXTFCSA-N 1 3 356.514 2.433 20 0 FEADHO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000467387648 560909299 /nfs/dbraw/zinc/90/92/99/560909299.db2.gz HMAJILWGEAFYNH-LEWJYISDSA-N 1 3 374.573 2.396 20 0 FEADHO CC[C@@]1(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)CCC[NH2+]1 ZINC000467692720 560915044 /nfs/dbraw/zinc/91/50/44/560915044.db2.gz UQVQVYPWUVXODB-RXVVDRJESA-N 1 3 372.513 2.324 20 0 FEADHO C[NH+](C)CCOCCNCc1cnn(-c2ccc(Br)cc2)c1 ZINC000471543583 561006851 /nfs/dbraw/zinc/00/68/51/561006851.db2.gz SEMLGLPWDYILNI-UHFFFAOYSA-N 1 3 367.291 2.303 20 0 FEADHO CC(C)OCC[C@H](O)C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000472174059 561020283 /nfs/dbraw/zinc/02/02/83/561020283.db2.gz PZIIIPXXZASZMI-BJLQDIEVSA-N 1 3 356.551 2.374 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)C1 ZINC000472969927 561038959 /nfs/dbraw/zinc/03/89/59/561038959.db2.gz SMENDRWVWJAUSS-GUDVDZBRSA-N 1 3 368.566 2.249 20 0 FEADHO CCN(CCC[NH+]1CCCC1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000472978817 561039322 /nfs/dbraw/zinc/03/93/22/561039322.db2.gz OEGPGGHHGDZEMH-UHFFFAOYSA-N 1 3 351.535 2.356 20 0 FEADHO Cc1cccc2c1OCC[C@H]2NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000474085989 561065297 /nfs/dbraw/zinc/06/52/97/561065297.db2.gz ZLSWOIKWOSMVHC-HXUWFJFHSA-N 1 3 359.514 2.205 20 0 FEADHO CCN(C(=O)N[C@@H]1CCN(CCOC)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475185851 561092516 /nfs/dbraw/zinc/09/25/16/561092516.db2.gz YSXDWMPNTFNLIM-WOJBJXKFSA-N 1 3 374.529 2.013 20 0 FEADHO CCN(C(=O)N[C@@H]1CCN(CCOC)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475185851 561092517 /nfs/dbraw/zinc/09/25/17/561092517.db2.gz YSXDWMPNTFNLIM-WOJBJXKFSA-N 1 3 374.529 2.013 20 0 FEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000475930759 561108138 /nfs/dbraw/zinc/10/81/38/561108138.db2.gz QRWAWXWALXFHNG-DOTOQJQBSA-N 1 3 374.529 2.489 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000476382896 561118165 /nfs/dbraw/zinc/11/81/65/561118165.db2.gz YBLXWVQAWVYIMK-QGZVFWFLSA-N 1 3 354.539 2.051 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C)c1cccc(OC)c1 ZINC000476739332 561127412 /nfs/dbraw/zinc/12/74/12/561127412.db2.gz ZPEAQZWPEMMLMS-YJBOKZPZSA-N 1 3 350.507 2.327 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000476958768 561132893 /nfs/dbraw/zinc/13/28/93/561132893.db2.gz CPFYDNACKPIVLR-IBGZPJMESA-N 1 3 362.518 2.473 20 0 FEADHO CN(C)CCN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000528745025 562345428 /nfs/dbraw/zinc/34/54/28/562345428.db2.gz YDDHKPNSFLKOFT-QZTJIDSGSA-N 1 3 372.538 2.379 20 0 FEADHO CN(C)CCN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000528745025 562345429 /nfs/dbraw/zinc/34/54/29/562345429.db2.gz YDDHKPNSFLKOFT-QZTJIDSGSA-N 1 3 372.538 2.379 20 0 FEADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000528752092 562345835 /nfs/dbraw/zinc/34/58/35/562345835.db2.gz DMPXVWSRKWQTDT-ZGPJWRFFSA-N 1 3 359.514 2.300 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000529284350 562367183 /nfs/dbraw/zinc/36/71/83/562367183.db2.gz TVXIYVWKTAUYSI-UXHICEINSA-N 1 3 374.529 2.089 20 0 FEADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000529385742 562371967 /nfs/dbraw/zinc/37/19/67/562371967.db2.gz JXIDQMSIPWEEMK-CGTJXYLNSA-N 1 3 372.538 2.425 20 0 FEADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000529385742 562371968 /nfs/dbraw/zinc/37/19/68/562371968.db2.gz JXIDQMSIPWEEMK-CGTJXYLNSA-N 1 3 372.538 2.425 20 0 FEADHO C[C@@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000530572273 562416398 /nfs/dbraw/zinc/41/63/98/562416398.db2.gz HTSHCMPZDPIQDH-LQWHRVPQSA-N 1 3 359.514 2.003 20 0 FEADHO C[C@@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000530572273 562416399 /nfs/dbraw/zinc/41/63/99/562416399.db2.gz HTSHCMPZDPIQDH-LQWHRVPQSA-N 1 3 359.514 2.003 20 0 FEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000530809500 562424613 /nfs/dbraw/zinc/42/46/13/562424613.db2.gz HTHBCQMEXNUVJF-IRLDBZIGSA-N 1 3 373.541 2.394 20 0 FEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000530809500 562424614 /nfs/dbraw/zinc/42/46/14/562424614.db2.gz HTHBCQMEXNUVJF-IRLDBZIGSA-N 1 3 373.541 2.394 20 0 FEADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530815819 562424835 /nfs/dbraw/zinc/42/48/35/562424835.db2.gz PQAZLZACPYOYLI-DBXWQHBBSA-N 1 3 359.514 2.003 20 0 FEADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530815819 562424836 /nfs/dbraw/zinc/42/48/36/562424836.db2.gz PQAZLZACPYOYLI-DBXWQHBBSA-N 1 3 359.514 2.003 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000530880601 562427093 /nfs/dbraw/zinc/42/70/93/562427093.db2.gz ZBRXBJKLEBSPCO-UHFFFAOYSA-N 1 3 362.301 2.324 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000531718018 562454633 /nfs/dbraw/zinc/45/46/33/562454633.db2.gz NEGVQFGZXITAMY-WSTZPKSXSA-N 1 3 364.578 2.029 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000531718018 562454634 /nfs/dbraw/zinc/45/46/34/562454634.db2.gz NEGVQFGZXITAMY-WSTZPKSXSA-N 1 3 364.578 2.029 20 0 FEADHO C[C@H](C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)N1[C@H](C)CC[C@@H]1C ZINC000533453045 562509370 /nfs/dbraw/zinc/50/93/70/562509370.db2.gz ANMRDLXIYIFTCN-KYHPRHEASA-N 1 3 359.518 2.422 20 0 FEADHO C(N1CCC[C@H]2COCC[C@@H]21)C1(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)COC1 ZINC000541070486 562602085 /nfs/dbraw/zinc/60/20/85/562602085.db2.gz IVOJUPXTTREOJF-YRPNKDGESA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CCC[C@H]2COCC[C@@H]21)C1(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)COC1 ZINC000541070486 562602086 /nfs/dbraw/zinc/60/20/86/562602086.db2.gz IVOJUPXTTREOJF-YRPNKDGESA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CCC[C@@H]2COCC[C@@H]21)C1(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)COC1 ZINC000541070486 562602087 /nfs/dbraw/zinc/60/20/87/562602087.db2.gz IVOJUPXTTREOJF-YRPNKDGESA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CCC[C@@H]2COCC[C@@H]21)C1(C[N@H+]2CCC[C@H]3COCC[C@@H]32)COC1 ZINC000541070486 562602088 /nfs/dbraw/zinc/60/20/88/562602088.db2.gz IVOJUPXTTREOJF-YRPNKDGESA-N 1 3 364.530 2.005 20 0 FEADHO Cc1nn(-c2ccncc2)cc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000541536669 562614935 /nfs/dbraw/zinc/61/49/35/562614935.db2.gz HJOGYVCPBOXIAZ-UTKZUKDTSA-N 1 3 368.529 2.034 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](OCC)[C@]23CCCO3)[C@H](C)C1 ZINC000546163060 562634585 /nfs/dbraw/zinc/63/45/85/562634585.db2.gz DEHXBOYTDFTQEU-RMMWZPCPSA-N 1 3 354.535 2.440 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@H](OCC)[C@]23CCCO3)[C@H](C)C1 ZINC000546163060 562634586 /nfs/dbraw/zinc/63/45/86/562634586.db2.gz DEHXBOYTDFTQEU-RMMWZPCPSA-N 1 3 354.535 2.440 20 0 FEADHO CC[C@@H]1CN(C(=O)NC2CCN(CCc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000669110431 567880656 /nfs/dbraw/zinc/88/06/56/567880656.db2.gz QSICCWWQNBDSEM-QUCCMNQESA-N 1 3 358.530 2.462 20 0 FEADHO COC(=O)c1[nH]c(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1C ZINC000602498668 567983663 /nfs/dbraw/zinc/98/36/63/567983663.db2.gz DINPKRZGFPLVMR-UHFFFAOYSA-N 1 3 371.481 2.356 20 0 FEADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000563090628 568069841 /nfs/dbraw/zinc/06/98/41/568069841.db2.gz SLWRQOHKBLIPOU-PMACEKPBSA-N 1 3 372.557 2.340 20 0 FEADHO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000563093171 568117720 /nfs/dbraw/zinc/11/77/20/568117720.db2.gz XUHCUPVSSMCMDJ-UXHICEINSA-N 1 3 350.466 2.141 20 0 FEADHO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000563093172 568117748 /nfs/dbraw/zinc/11/77/48/568117748.db2.gz XUHCUPVSSMCMDJ-VQTJNVASSA-N 1 3 350.466 2.141 20 0 FEADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCN(C2CC2)C1 ZINC000604182232 568220090 /nfs/dbraw/zinc/22/00/90/568220090.db2.gz ACWXEJKZOSBPIR-IBGZPJMESA-N 1 3 356.514 2.435 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000623071580 568238009 /nfs/dbraw/zinc/23/80/09/568238009.db2.gz KIRXAQZLYZPKEE-SCTDSRPQSA-N 1 3 360.502 2.498 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C3CC3)C2)[C@H](C)C1 ZINC000604666665 568342907 /nfs/dbraw/zinc/34/29/07/568342907.db2.gz XQVVKVVSOANKIM-QRQLOZEOSA-N 1 3 366.550 2.002 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C3CC3)C2)[C@H](C)C1 ZINC000604666665 568342908 /nfs/dbraw/zinc/34/29/08/568342908.db2.gz XQVVKVVSOANKIM-QRQLOZEOSA-N 1 3 366.550 2.002 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810465923 674545722 /nfs/dbraw/zinc/54/57/22/674545722.db2.gz BSQXUOHVFJAANI-QFBILLFUSA-N 1 3 357.514 2.158 20 0 FEADHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000825577234 608516364 /nfs/dbraw/zinc/51/63/64/608516364.db2.gz UIABRSWEXYVQQM-SJLPKXTDSA-N 1 3 358.490 2.191 20 0 FEADHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825577234 608516365 /nfs/dbraw/zinc/51/63/65/608516365.db2.gz UIABRSWEXYVQQM-SJLPKXTDSA-N 1 3 358.490 2.191 20 0 FEADHO O=S1(=O)CC[C@@H](NCC[C@@H]2CC[NH2+]C2)c2cc(Br)ccc21 ZINC000562956052 674827376 /nfs/dbraw/zinc/82/73/76/674827376.db2.gz ZPZZJQAHGOVAKE-SMDDNHRTSA-N 1 3 373.316 2.257 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC[C@]3(C)CC)CC2)CC1 ZINC000563388372 674881470 /nfs/dbraw/zinc/88/14/70/674881470.db2.gz JJKYNUJAFQINJB-FQEVSTJZSA-N 1 3 351.535 2.210 20 0 FEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000564599611 675042285 /nfs/dbraw/zinc/04/22/85/675042285.db2.gz PXBNYEQBJDRGOF-SJORKVTESA-N 1 3 354.539 2.002 20 0 FEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000564599611 675042288 /nfs/dbraw/zinc/04/22/88/675042288.db2.gz PXBNYEQBJDRGOF-SJORKVTESA-N 1 3 354.539 2.002 20 0 FEADHO CCCCN(CCCO)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000565195037 675101645 /nfs/dbraw/zinc/10/16/45/675101645.db2.gz PQTPYBGQEJBLGN-UHFFFAOYSA-N 1 3 353.551 2.194 20 0 FEADHO C[NH+]1CCC(NC(=S)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000063148122 670404691 /nfs/dbraw/zinc/40/46/91/670404691.db2.gz DCYQZSKGXYBRTE-UHFFFAOYSA-N 1 3 360.571 2.382 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)[C@H]3CCCOC3)CC2)CC1 ZINC000569706787 670600469 /nfs/dbraw/zinc/60/04/69/670600469.db2.gz PIBOSFCADQFGHO-WMZOPIPTSA-N 1 3 351.535 2.114 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](OC(F)F)C3)CC2)CC1 ZINC000570056482 670654400 /nfs/dbraw/zinc/65/44/00/670654400.db2.gz UCHNWRXWOSSSJG-INIZCTEOSA-N 1 3 359.461 2.023 20 0 FEADHO C[C@H](C(=O)Nc1ccc(F)cc1F)N(C)CCCN(C)CC[NH+](C)C ZINC000570882077 670781746 /nfs/dbraw/zinc/78/17/46/670781746.db2.gz JQYZKJCOQPSCBJ-CQSZACIVSA-N 1 3 356.461 2.107 20 0 FEADHO CCc1cccc(OC[C@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000565770472 675150042 /nfs/dbraw/zinc/15/00/42/675150042.db2.gz VPZXBUADNXVNRB-IEBWSBKVSA-N 1 3 350.503 2.079 20 0 FEADHO CCc1cccc(OC[C@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000565770472 675150046 /nfs/dbraw/zinc/15/00/46/675150046.db2.gz VPZXBUADNXVNRB-IEBWSBKVSA-N 1 3 350.503 2.079 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@H](C(C)C)C3)CC2)CC1 ZINC000571775198 670923799 /nfs/dbraw/zinc/92/37/99/670923799.db2.gz QNLZALGJSIBPOV-IBGZPJMESA-N 1 3 351.535 2.066 20 0 FEADHO C[C@H]1CC2(CN1CC(=O)NCCOc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000571873569 670934848 /nfs/dbraw/zinc/93/48/48/670934848.db2.gz RRCJJQDIRWHFIT-HNNXBMFYSA-N 1 3 365.905 2.299 20 0 FEADHO C[C@@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000565884001 675158113 /nfs/dbraw/zinc/15/81/13/675158113.db2.gz WMBAHRMYVMMNAB-CABCVRRESA-N 1 3 354.516 2.243 20 0 FEADHO C[C@@H]([NH2+]C1CC1)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000573604115 671142271 /nfs/dbraw/zinc/14/22/71/671142271.db2.gz LKNAFLVHLLGWBU-CQSZACIVSA-N 1 3 365.905 2.440 20 0 FEADHO COc1ccccc1COC[C@H](O)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000575377547 671311542 /nfs/dbraw/zinc/31/15/42/671311542.db2.gz VKEBRHFZZBMRCZ-GOSISDBHSA-N 1 3 350.503 2.425 20 0 FEADHO CCOC(=O)[C@@H]1CC[C@H](C)[N@H+](CCCN2CCN(C(C)C)CC2)[C@@H]1C ZINC000595555232 673266146 /nfs/dbraw/zinc/26/61/46/673266146.db2.gz WVZWYQWGBAEAOJ-IPMKNSEASA-N 1 3 353.551 2.455 20 0 FEADHO CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCCN2CCN(C(C)C)CC2)[C@@H]1C ZINC000595555232 673266149 /nfs/dbraw/zinc/26/61/49/673266149.db2.gz WVZWYQWGBAEAOJ-IPMKNSEASA-N 1 3 353.551 2.455 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2c(OC)cccc2OC)CC[NH2+]CC1 ZINC000596651432 673400955 /nfs/dbraw/zinc/40/09/55/673400955.db2.gz PQZMLPARGDEMPD-AWEZNQCLSA-N 1 3 350.459 2.115 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](O)COc1ccccc1Br ZINC000537956936 673414981 /nfs/dbraw/zinc/41/49/81/673414981.db2.gz LGHYGSMZCOEXOE-VNHYZAJKSA-N 1 3 357.292 2.119 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](O)COc1ccccc1Br ZINC000537956936 673414984 /nfs/dbraw/zinc/41/49/84/673414984.db2.gz LGHYGSMZCOEXOE-VNHYZAJKSA-N 1 3 357.292 2.119 20 0 FEADHO COC(=O)CCCN1CCC([NH2+][C@H](C)CN2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000545205159 673751448 /nfs/dbraw/zinc/75/14/48/673751448.db2.gz IVMOSQHXNHXLIW-KZNAEPCWSA-N 1 3 353.551 2.360 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000746471146 673880126 /nfs/dbraw/zinc/88/01/26/673880126.db2.gz KZTOGKFLHBDRBC-HQRMLTQVSA-N 1 3 350.503 2.235 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000746471146 673880127 /nfs/dbraw/zinc/88/01/27/673880127.db2.gz KZTOGKFLHBDRBC-HQRMLTQVSA-N 1 3 350.503 2.235 20 0 FEADHO CN1CCC([NH+]2CCC(NC[C@@H](O)c3cc(F)ccc3F)CC2)CC1 ZINC000818986837 675249945 /nfs/dbraw/zinc/24/99/45/675249945.db2.gz BLNACWXYCAZFIP-LJQANCHMSA-N 1 3 353.457 2.146 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(COC)CC3)CC2)CC1 ZINC000568199510 675358166 /nfs/dbraw/zinc/35/81/66/675358166.db2.gz AQKMKQVOLKTXJK-UHFFFAOYSA-N 1 3 351.535 2.068 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc(Cl)n1 ZINC000825548409 675658513 /nfs/dbraw/zinc/65/85/13/675658513.db2.gz XDVXFJLBOXSKSW-IMJJTQAJSA-N 1 3 350.894 2.424 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(COC)CCCC3)CC2)CC1 ZINC000617188815 676274206 /nfs/dbraw/zinc/27/42/06/676274206.db2.gz ISGDQYZTMPRPHW-UHFFFAOYSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COc1ccc(F)cc1Cl ZINC000617503800 676288330 /nfs/dbraw/zinc/28/83/30/676288330.db2.gz ZWBKTJCFVCLTBL-ZDUSSCGKSA-N 1 3 359.873 2.246 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COc1ccc(F)cc1Cl ZINC000617503800 676288331 /nfs/dbraw/zinc/28/83/31/676288331.db2.gz ZWBKTJCFVCLTBL-ZDUSSCGKSA-N 1 3 359.873 2.246 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000617505514 676288778 /nfs/dbraw/zinc/28/87/78/676288778.db2.gz FYFBFDWBSGWPJD-BPUTZDHNSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000617505514 676288779 /nfs/dbraw/zinc/28/87/79/676288779.db2.gz FYFBFDWBSGWPJD-BPUTZDHNSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1csc(C(C)(C)C)n1 ZINC000617504604 676288971 /nfs/dbraw/zinc/28/89/71/676288971.db2.gz BQMPBLMIQIYBQP-AWEZNQCLSA-N 1 3 354.564 2.371 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1csc(C(C)(C)C)n1 ZINC000617504604 676288972 /nfs/dbraw/zinc/28/89/72/676288972.db2.gz BQMPBLMIQIYBQP-AWEZNQCLSA-N 1 3 354.564 2.371 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc(-c2ccco2)s1 ZINC000617506054 676289360 /nfs/dbraw/zinc/28/93/60/676289360.db2.gz ZPTFLKGDNHYVIK-ZDUSSCGKSA-N 1 3 350.488 2.405 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc(-c2ccco2)s1 ZINC000617506054 676289361 /nfs/dbraw/zinc/28/93/61/676289361.db2.gz ZPTFLKGDNHYVIK-ZDUSSCGKSA-N 1 3 350.488 2.405 20 0 FEADHO CC(C)[NH+]1CCC(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)CC1 ZINC000620915569 676434460 /nfs/dbraw/zinc/43/44/60/676434460.db2.gz MJSWICNXGPDTRX-GOSISDBHSA-N 1 3 351.535 2.209 20 0 FEADHO CCN1CCN(CCC[NH2+]Cc2cc(C)c(Br)cn2)CC1 ZINC000623356943 676530981 /nfs/dbraw/zinc/53/09/81/676530981.db2.gz PRPKNFXFTYRSRZ-UHFFFAOYSA-N 1 3 355.324 2.270 20 0 FEADHO O[C@@H](C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)CN1CCCC1 ZINC000629559338 676859162 /nfs/dbraw/zinc/85/91/62/676859162.db2.gz LDCMBZINHTVRIW-WBVHZDCISA-N 1 3 368.319 2.074 20 0 FEADHO C[NH2+]C1(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CCC1 ZINC000630003644 676879219 /nfs/dbraw/zinc/87/92/19/676879219.db2.gz CBWSCIQENYWGCB-MRXNPFEDSA-N 1 3 351.441 2.402 20 0 FEADHO C[C@@H]1C[C@@H](N(C)S(=O)(=O)CCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000631996448 676969530 /nfs/dbraw/zinc/96/95/30/676969530.db2.gz CMAZWCXWLWOJLM-MJGOQNOKSA-N 1 3 367.559 2.253 20 0 FEADHO CC[N@H+](CCC1CCN(S(=O)(=O)CCCN(C)C)CC1)CC1CC1 ZINC000632173537 676979821 /nfs/dbraw/zinc/97/98/21/676979821.db2.gz GGPMSMHLEHZESH-UHFFFAOYSA-N 1 3 359.580 2.102 20 0 FEADHO CC[N@@H+](CCC1CCN(S(=O)(=O)CCCN(C)C)CC1)CC1CC1 ZINC000632173537 676979822 /nfs/dbraw/zinc/97/98/22/676979822.db2.gz GGPMSMHLEHZESH-UHFFFAOYSA-N 1 3 359.580 2.102 20 0 FEADHO O[C@]1(CNCCOCC(F)(F)C(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634713562 677080449 /nfs/dbraw/zinc/08/04/49/677080449.db2.gz XXLJLTIRAXHEGD-INIZCTEOSA-N 1 3 364.383 2.130 20 0 FEADHO O[C@]1(CNCCOCC(F)(F)C(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713562 677080450 /nfs/dbraw/zinc/08/04/50/677080450.db2.gz XXLJLTIRAXHEGD-INIZCTEOSA-N 1 3 364.383 2.130 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641789974 677215808 /nfs/dbraw/zinc/21/58/08/677215808.db2.gz CHRNMMOVBMGSTI-SFHVURJKSA-N 1 3 354.539 2.005 20 0 FEADHO CC(C)(CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)NS(C)(=O)=O ZINC000647181461 677296994 /nfs/dbraw/zinc/29/69/94/677296994.db2.gz BWMJPJZFFHCOSJ-KRWDZBQOSA-N 1 3 365.543 2.101 20 0 FEADHO CC(C)(CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)NS(C)(=O)=O ZINC000647181461 677296995 /nfs/dbraw/zinc/29/69/95/677296995.db2.gz BWMJPJZFFHCOSJ-KRWDZBQOSA-N 1 3 365.543 2.101 20 0 FEADHO CC(C)CC[NH+]1CCC(CNCc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647189953 677297373 /nfs/dbraw/zinc/29/73/73/677297373.db2.gz AFKAQWAEHGUSNM-UHFFFAOYSA-N 1 3 371.522 2.321 20 0 FEADHO O=S(=O)(NC1CC1)c1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000652340855 677480047 /nfs/dbraw/zinc/48/00/47/677480047.db2.gz JPKVTBPILJBIRC-LJQANCHMSA-N 1 3 363.527 2.091 20 0 FEADHO CCN(C[C@@H]1CCOC1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654600113 677591276 /nfs/dbraw/zinc/59/12/76/677591276.db2.gz GSUNOBOBOPCCQL-KRWDZBQOSA-N 1 3 351.535 2.068 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C[C@@H]3CCOC3)CC2)CC1 ZINC000654894656 677611074 /nfs/dbraw/zinc/61/10/74/677611074.db2.gz UBRGJSBSZOUOKB-SJORKVTESA-N 1 3 351.535 2.114 20 0 FEADHO CCCC[C@](C)(CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000655159403 677626208 /nfs/dbraw/zinc/62/62/08/677626208.db2.gz XSUSEUFLECIOBO-HXUWFJFHSA-N 1 3 353.551 2.240 20 0 FEADHO CCCC[C@@](C)(CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000655159401 677626314 /nfs/dbraw/zinc/62/63/14/677626314.db2.gz XSUSEUFLECIOBO-FQEVSTJZSA-N 1 3 353.551 2.240 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)[C@H](C)C1 ZINC000660307306 678322012 /nfs/dbraw/zinc/32/20/12/678322012.db2.gz WELWJHQXFVFUCH-ICBNADEASA-N 1 3 351.535 2.160 20 0 FEADHO C[NH2+]CCCC(=O)N1CCC(NCc2nc3c(s2)CCCC3)CC1 ZINC000663504338 678748671 /nfs/dbraw/zinc/74/86/71/678748671.db2.gz SPYAGSQURPKDDM-UHFFFAOYSA-N 1 3 350.532 2.102 20 0 FEADHO Cc1cc(F)ccc1CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664374019 678871019 /nfs/dbraw/zinc/87/10/19/678871019.db2.gz HXVRVTVHXJTPGZ-INIZCTEOSA-N 1 3 352.498 2.248 20 0 FEADHO Cc1cc(F)ccc1CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664374019 678871022 /nfs/dbraw/zinc/87/10/22/678871022.db2.gz HXVRVTVHXJTPGZ-INIZCTEOSA-N 1 3 352.498 2.248 20 0 FEADHO Cc1noc(C)c1C(C)(C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762685 678982205 /nfs/dbraw/zinc/98/22/05/678982205.db2.gz MSIGEQXDCXMIMY-ZDUSSCGKSA-N 1 3 353.511 2.098 20 0 FEADHO Cc1noc(C)c1C(C)(C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762685 678982206 /nfs/dbraw/zinc/98/22/06/678982206.db2.gz MSIGEQXDCXMIMY-ZDUSSCGKSA-N 1 3 353.511 2.098 20 0 FEADHO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000667799511 679127265 /nfs/dbraw/zinc/12/72/65/679127265.db2.gz WZAPYAZJMGZQAQ-UHFFFAOYSA-N 1 3 359.499 2.385 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc(Cl)n1 ZINC000831382565 679974964 /nfs/dbraw/zinc/97/49/64/679974964.db2.gz OTEULFGLCOUNHK-BMFZPTHFSA-N 1 3 350.894 2.376 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc(Cl)n1 ZINC000831382565 679974970 /nfs/dbraw/zinc/97/49/70/679974970.db2.gz OTEULFGLCOUNHK-BMFZPTHFSA-N 1 3 350.894 2.376 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNCc3nccs3)C2)CC[N@@H+]1C ZINC001023993717 680277330 /nfs/dbraw/zinc/27/73/30/680277330.db2.gz NAQHOUXUIVTVEW-OWCLPIDISA-N 1 3 350.532 2.202 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CNCc3nccs3)C2)CC[N@H+]1C ZINC001023993717 680277332 /nfs/dbraw/zinc/27/73/32/680277332.db2.gz NAQHOUXUIVTVEW-OWCLPIDISA-N 1 3 350.532 2.202 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNCc3c(F)cccc3F)C2)CC[N@@H+]1C ZINC001026852176 680350647 /nfs/dbraw/zinc/35/06/47/680350647.db2.gz LSTRBBIJVHWQSU-QLFBSQMISA-N 1 3 351.441 2.243 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNCc3c(F)cccc3F)C2)CC[N@H+]1C ZINC001026852176 680350651 /nfs/dbraw/zinc/35/06/51/680350651.db2.gz LSTRBBIJVHWQSU-QLFBSQMISA-N 1 3 351.441 2.243 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cc(C)ns3)C2)CC[N@@H+]1C ZINC000998793625 680389784 /nfs/dbraw/zinc/38/97/84/680389784.db2.gz KSJJNOLOJAGMLN-YQEWQEHLSA-N 1 3 350.532 2.261 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cc(C)ns3)C2)CC[N@H+]1C ZINC000998793625 680389786 /nfs/dbraw/zinc/38/97/86/680389786.db2.gz KSJJNOLOJAGMLN-YQEWQEHLSA-N 1 3 350.532 2.261 20 0 FEADHO CN(C)[C@H](CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000874429632 685387277 /nfs/dbraw/zinc/38/72/77/685387277.db2.gz LZRCSQMKQBUWTQ-QLFBSQMISA-N 1 3 358.408 2.068 20 0 FEADHO CN(C[C@H]1CCC[N@H+](C)C1)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846805636 681291828 /nfs/dbraw/zinc/29/18/28/681291828.db2.gz DYZDSVRXNUTXCJ-QFBILLFUSA-N 1 3 355.523 2.022 20 0 FEADHO CN(C[C@H]1CCC[N@@H+](C)C1)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846805636 681291832 /nfs/dbraw/zinc/29/18/32/681291832.db2.gz DYZDSVRXNUTXCJ-QFBILLFUSA-N 1 3 355.523 2.022 20 0 FEADHO [NH3+][C@H]1CCC[C@@H](NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000848719780 681608897 /nfs/dbraw/zinc/60/88/97/681608897.db2.gz NXJKDDBLPSGSDH-NWDGAFQWSA-N 1 3 366.405 2.218 20 0 FEADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849095873 681652540 /nfs/dbraw/zinc/65/25/40/681652540.db2.gz QKUJYIPPGFSLGM-HUUCEWRRSA-N 1 3 355.527 2.230 20 0 FEADHO CCO[C@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C[NH+](C)C ZINC000913891009 685487887 /nfs/dbraw/zinc/48/78/87/685487887.db2.gz HFRATBANAHSHET-CVEARBPZSA-N 1 3 368.547 2.151 20 0 FEADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 ZINC000852040378 682207835 /nfs/dbraw/zinc/20/78/35/682207835.db2.gz LEIGILFZHUGSPZ-WFVVYAPDSA-N 1 3 353.507 2.179 20 0 FEADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 ZINC000852040378 682207839 /nfs/dbraw/zinc/20/78/39/682207839.db2.gz LEIGILFZHUGSPZ-WFVVYAPDSA-N 1 3 353.507 2.179 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)C34CC(C(F)(F)F)(C3)C4)CC2)CC1 ZINC000786849666 682412331 /nfs/dbraw/zinc/41/23/31/682412331.db2.gz GOTAKSROKLQFEN-UHFFFAOYSA-N 1 3 359.436 2.394 20 0 FEADHO CC(C)[C@H]1CCN(CN2CCC(CCC[NH+]3CCOCC3)CC2)C1=O ZINC000853507228 682425186 /nfs/dbraw/zinc/42/51/86/682425186.db2.gz WOBJYYFDJGBIFN-LJQANCHMSA-N 1 3 351.535 2.273 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nc(Cl)sc1Cl ZINC000855346663 682659912 /nfs/dbraw/zinc/65/99/12/682659912.db2.gz IOKUUERAAKRAAG-VIFPVBQESA-N 1 3 353.319 2.452 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nc(Cl)sc1Cl ZINC000855346663 682659916 /nfs/dbraw/zinc/65/99/16/682659916.db2.gz IOKUUERAAKRAAG-VIFPVBQESA-N 1 3 353.319 2.452 20 0 FEADHO COC[C@@H](C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1)OC ZINC000856607273 682794496 /nfs/dbraw/zinc/79/44/96/682794496.db2.gz ZZXNMFYXJYNQDP-RBUKOAKNSA-N 1 3 351.491 2.036 20 0 FEADHO COC[C@@H](C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1)OC ZINC000856607273 682794501 /nfs/dbraw/zinc/79/45/01/682794501.db2.gz ZZXNMFYXJYNQDP-RBUKOAKNSA-N 1 3 351.491 2.036 20 0 FEADHO OCC[NH+]1CCC(N[C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000925833931 683042070 /nfs/dbraw/zinc/04/20/70/683042070.db2.gz ZVLSJBKNMDWLBM-INIZCTEOSA-N 1 3 354.292 2.268 20 0 FEADHO C[C@H](C[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000799726185 683488590 /nfs/dbraw/zinc/48/85/90/683488590.db2.gz MDLBDGMZUBFLCA-JKSUJKDBSA-N 1 3 356.555 2.294 20 0 FEADHO CC(C)[C@](C)(C[NH3+])NC[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923295712 684258466 /nfs/dbraw/zinc/25/84/66/684258466.db2.gz FLCFVCFIPVBFPT-HIFRSBDPSA-N 1 3 363.271 2.291 20 0 FEADHO COc1ccc(Br)cc1C1(NC[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923383781 684272242 /nfs/dbraw/zinc/27/22/42/684272242.db2.gz MSTHFOFAQGBGAU-CYBMUJFWSA-N 1 3 367.287 2.415 20 0 FEADHO Brc1ccc2c(c1)[C@H](NC[C@H]1CC3(C[NH2+]C3)CO1)CCO2 ZINC000923432165 684280454 /nfs/dbraw/zinc/28/04/54/684280454.db2.gz JUSUDNLPGXGUPS-TZMCWYRMSA-N 1 3 353.260 2.241 20 0 FEADHO C[C@H]1CN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923497464 684292473 /nfs/dbraw/zinc/29/24/73/684292473.db2.gz LVVOIFAGFKCNBS-NWDGAFQWSA-N 1 3 361.383 2.377 20 0 FEADHO C[C@H]1CN(CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923500415 684293414 /nfs/dbraw/zinc/29/34/14/684293414.db2.gz QCMRENWGIPQYJV-JSGCOSHPSA-N 1 3 359.392 2.118 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCCN1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924476004 684453969 /nfs/dbraw/zinc/45/39/69/684453969.db2.gz AGIMFTGJEXJQFB-IRXDYDNUSA-N 1 3 350.507 2.047 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCCN1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924476004 684453972 /nfs/dbraw/zinc/45/39/72/684453972.db2.gz AGIMFTGJEXJQFB-IRXDYDNUSA-N 1 3 350.507 2.047 20 0 FEADHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000925113020 684524897 /nfs/dbraw/zinc/52/48/97/684524897.db2.gz HSXYBXNKEYWXBA-OAHLLOKOSA-N 1 3 354.292 2.268 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](OC)CC[C@H]3C)CC2)CC1 ZINC000870723588 684748893 /nfs/dbraw/zinc/74/88/93/684748893.db2.gz FTOHXMNIDQEKKG-VQIMIIECSA-N 1 3 351.535 2.209 20 0 FEADHO Cn1cc(-c2ccc(CN3CCC([NH+]4CCN(C)CC4)CC3)s2)cn1 ZINC000877745891 686448970 /nfs/dbraw/zinc/44/89/70/686448970.db2.gz CGTWOTRROVJQDR-UHFFFAOYSA-N 1 3 359.543 2.360 20 0 FEADHO CC(C)[NH+]1CCN(CCCC(=O)NC[C@H](c2ccsc2)N(C)C)CC1 ZINC000900136044 690474879 /nfs/dbraw/zinc/47/48/79/690474879.db2.gz FWGOMQBRRAGDLM-GOSISDBHSA-N 1 3 366.575 2.273 20 0 FEADHO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000903175090 690861536 /nfs/dbraw/zinc/86/15/36/690861536.db2.gz MIYCBAYOVXAYLV-UHFFFAOYSA-N 1 3 367.559 2.431 20 0 FEADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000903842723 690978279 /nfs/dbraw/zinc/97/82/79/690978279.db2.gz SPYDEOYEXCZCBP-RUAUBTSSSA-N 1 3 364.287 2.366 20 0 FEADHO [NH3+][C@H]1C[C@@H](CN2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)C1 ZINC000904359433 691022295 /nfs/dbraw/zinc/02/22/95/691022295.db2.gz NCWBMYYPONNOEA-AKAXFMLLSA-N 1 3 361.877 2.245 20 0 FEADHO C[C@]1(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CCCNC1 ZINC000904380363 691023637 /nfs/dbraw/zinc/02/36/37/691023637.db2.gz BDGYJLPOQXGGPY-PFFSRIRZSA-N 1 3 359.436 2.107 20 0 FEADHO C[C@]1(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CCCNC1 ZINC000904380363 691023639 /nfs/dbraw/zinc/02/36/39/691023639.db2.gz BDGYJLPOQXGGPY-PFFSRIRZSA-N 1 3 359.436 2.107 20 0 FEADHO O=C(N1CCOCC1)C1(NCc2cc3c(s2)CC[NH2+]C3)CCCCC1 ZINC000904470194 691029847 /nfs/dbraw/zinc/02/98/47/691029847.db2.gz TUTYIEPAPPIKIE-UHFFFAOYSA-N 1 3 363.527 2.045 20 0 FEADHO C[C@@](O)(CNC1CC[NH+](C[C@H]2CCCO2)CC1)C(F)(F)C(F)(F)F ZINC000905112896 691070338 /nfs/dbraw/zinc/07/03/38/691070338.db2.gz XWKKSPCASJWTBJ-CHWSQXEVSA-N 1 3 360.367 2.168 20 0 FEADHO C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905339016 691103991 /nfs/dbraw/zinc/10/39/91/691103991.db2.gz MHCPOWTUWPKPDC-MRXNPFEDSA-N 1 3 365.543 2.131 20 0 FEADHO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(CN(C)C)ccn1)C2 ZINC001164816384 720185038 /nfs/dbraw/zinc/18/50/38/720185038.db2.gz LFTFVZQVXZUVHF-CTNGQTDRSA-N 1 3 358.530 2.328 20 0 FEADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(CN(C)C)ccn1)C2 ZINC001164816384 720185052 /nfs/dbraw/zinc/18/50/52/720185052.db2.gz LFTFVZQVXZUVHF-CTNGQTDRSA-N 1 3 358.530 2.328 20 0 FEADHO Cc1c[nH+]c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1N ZINC001164976101 722137321 /nfs/dbraw/zinc/13/73/21/722137321.db2.gz HDFZUXKUOFLFKH-PKOBYXMFSA-N 1 3 353.470 2.095 20 0 FEADHO Cc1ccc(O[C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050802806 540415267 /nfs/dbraw/zinc/41/52/67/540415267.db2.gz AXCYFYCFWNXKFG-QGZVFWFLSA-N 1 3 359.514 2.437 20 0 FEADHO CCN(CC)CC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000059384474 540864952 /nfs/dbraw/zinc/86/49/52/540864952.db2.gz MLWPOPQIYPWIBY-UHFFFAOYSA-N 1 3 360.546 2.355 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000076317745 542260055 /nfs/dbraw/zinc/26/00/55/542260055.db2.gz BVEOXNZIKDCGPQ-SJLPKXTDSA-N 1 3 353.551 2.406 20 0 FEADHO C[NH+]1CCC(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000072985138 541904435 /nfs/dbraw/zinc/90/44/35/541904435.db2.gz FITHSVRDGLZIOY-UHFFFAOYSA-N 1 3 358.530 2.047 20 0 FEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073104083 541918937 /nfs/dbraw/zinc/91/89/37/541918937.db2.gz MDADBTOAGCELEI-LJQANCHMSA-N 1 3 358.530 2.045 20 0 FEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073104083 541918939 /nfs/dbraw/zinc/91/89/39/541918939.db2.gz MDADBTOAGCELEI-LJQANCHMSA-N 1 3 358.530 2.045 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccccc1F ZINC000073500580 541959988 /nfs/dbraw/zinc/95/99/88/541959988.db2.gz ONXMMKTUMAJPGH-SFHVURJKSA-N 1 3 364.509 2.426 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccccc1F ZINC000073500580 541959992 /nfs/dbraw/zinc/95/99/92/541959992.db2.gz ONXMMKTUMAJPGH-SFHVURJKSA-N 1 3 364.509 2.426 20 0 FEADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(-n2cccn2)c1 ZINC000074939531 542139713 /nfs/dbraw/zinc/13/97/13/542139713.db2.gz OUTOUVHLIRVXOX-QGZVFWFLSA-N 1 3 372.517 2.068 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CCN3CCCCC3)c2)[C@H](C)C1 ZINC000076487627 542284315 /nfs/dbraw/zinc/28/43/15/542284315.db2.gz XQMSMRXYTFMZCH-IEBWSBKVSA-N 1 3 361.534 2.171 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CCN3CCCCC3)c2)[C@H](C)C1 ZINC000076487627 542284319 /nfs/dbraw/zinc/28/43/19/542284319.db2.gz XQMSMRXYTFMZCH-IEBWSBKVSA-N 1 3 361.534 2.171 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(Br)cc1 ZINC000077823907 542424467 /nfs/dbraw/zinc/42/44/67/542424467.db2.gz UIGYPGXKNAGHFG-UHFFFAOYSA-N 1 3 371.323 2.084 20 0 FEADHO Cc1csc([C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C2CC2)n1 ZINC000080450573 542589958 /nfs/dbraw/zinc/58/99/58/542589958.db2.gz PWJLNASBWGYFQN-HNNXBMFYSA-N 1 3 353.536 2.037 20 0 FEADHO CC[N@H+](CCNC(=O)NCC1(N2CCSCC2)CCCC1)C1CC1 ZINC000101983620 543053474 /nfs/dbraw/zinc/05/34/74/543053474.db2.gz VTEXKMJGPABPNR-UHFFFAOYSA-N 1 3 354.564 2.132 20 0 FEADHO CC[N@@H+](CCNC(=O)NCC1(N2CCSCC2)CCCC1)C1CC1 ZINC000101983620 543053475 /nfs/dbraw/zinc/05/34/75/543053475.db2.gz VTEXKMJGPABPNR-UHFFFAOYSA-N 1 3 354.564 2.132 20 0 FEADHO CCN(C)[C@H](C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000103192985 543096627 /nfs/dbraw/zinc/09/66/27/543096627.db2.gz QKSNWXPCNRPZGQ-NRFANRHFSA-N 1 3 372.557 2.354 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc(Cc2ccccc2)n1 ZINC000103212921 543097337 /nfs/dbraw/zinc/09/73/37/543097337.db2.gz RLMVNZZTGHVCJG-UHFFFAOYSA-N 1 3 360.527 2.299 20 0 FEADHO CCOc1c(CNCCC[N@@H+]2CCCN(C)CC2)c(C)nn1CC(C)C ZINC000105476618 543174358 /nfs/dbraw/zinc/17/43/58/543174358.db2.gz RMTIOZVJWBYJNI-UHFFFAOYSA-N 1 3 365.566 2.363 20 0 FEADHO CCOc1c(CNCCC[N@H+]2CCCN(C)CC2)c(C)nn1CC(C)C ZINC000105476618 543174360 /nfs/dbraw/zinc/17/43/60/543174360.db2.gz RMTIOZVJWBYJNI-UHFFFAOYSA-N 1 3 365.566 2.363 20 0 FEADHO CCOc1c(CNCCCN2CCC[N@H+](C)CC2)c(C)nn1CC(C)C ZINC000105476618 543174363 /nfs/dbraw/zinc/17/43/63/543174363.db2.gz RMTIOZVJWBYJNI-UHFFFAOYSA-N 1 3 365.566 2.363 20 0 FEADHO CCOc1c(CNCCCN2CCC[N@@H+](C)CC2)c(C)nn1CC(C)C ZINC000105476618 543174364 /nfs/dbraw/zinc/17/43/64/543174364.db2.gz RMTIOZVJWBYJNI-UHFFFAOYSA-N 1 3 365.566 2.363 20 0 FEADHO CO[C@@](C)(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000106759630 543245563 /nfs/dbraw/zinc/24/55/63/543245563.db2.gz PPVBCFVGLCLYFW-OAQYLSRUSA-N 1 3 359.514 2.223 20 0 FEADHO CC(C)C[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccccn2)CC1 ZINC000107387978 543269690 /nfs/dbraw/zinc/26/96/90/543269690.db2.gz YVJXHIFNRBZVPM-UHFFFAOYSA-N 1 3 361.534 2.275 20 0 FEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111596964 543408260 /nfs/dbraw/zinc/40/82/60/543408260.db2.gz RAWOIQZRPXJPBW-LJQANCHMSA-N 1 3 360.546 2.435 20 0 FEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111596964 543408263 /nfs/dbraw/zinc/40/82/63/543408263.db2.gz RAWOIQZRPXJPBW-LJQANCHMSA-N 1 3 360.546 2.435 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(Oc2ccncc2)c1 ZINC000112635918 543454936 /nfs/dbraw/zinc/45/49/36/543454936.db2.gz QPLHDJCWVNPJGR-UHFFFAOYSA-N 1 3 356.470 2.439 20 0 FEADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)CC(=O)N(C)C)CC2)c1 ZINC000125332137 543875862 /nfs/dbraw/zinc/87/58/62/543875862.db2.gz YHZWODYROGGWHV-IBGZPJMESA-N 1 3 360.546 2.354 20 0 FEADHO C[C@@H](CNc1ccccc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000128093793 544032338 /nfs/dbraw/zinc/03/23/38/544032338.db2.gz IHLQCYUZORUKMV-KRWDZBQOSA-N 1 3 373.545 2.345 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000128389668 544049403 /nfs/dbraw/zinc/04/94/03/544049403.db2.gz WCPGQAVYYAMWNK-QGZVFWFLSA-N 1 3 360.502 2.321 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000128460148 544054109 /nfs/dbraw/zinc/05/41/09/544054109.db2.gz PLEPGIZTJUAERF-LJQANCHMSA-N 1 3 368.529 2.332 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000128460148 544054113 /nfs/dbraw/zinc/05/41/13/544054113.db2.gz PLEPGIZTJUAERF-LJQANCHMSA-N 1 3 368.529 2.332 20 0 FEADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000132127636 544220263 /nfs/dbraw/zinc/22/02/63/544220263.db2.gz KVBBJFPDCDCKTP-HNNXBMFYSA-N 1 3 353.532 2.465 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000153657198 544804324 /nfs/dbraw/zinc/80/43/24/544804324.db2.gz JYSVFTBOQAIJTP-OAHLLOKOSA-N 1 3 360.424 2.425 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)c2[nH]nc3c2CNCC3)CC[N@@H+]1Cc1ccccc1 ZINC000188765855 328109499 /nfs/dbraw/zinc/10/94/99/328109499.db2.gz JBXXDSSMEOLONO-RDJZCZTQSA-N 1 3 367.497 2.181 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)c2[nH]nc3c2CNCC3)CC[N@H+]1Cc1ccccc1 ZINC000188765855 328109500 /nfs/dbraw/zinc/10/95/00/328109500.db2.gz JBXXDSSMEOLONO-RDJZCZTQSA-N 1 3 367.497 2.181 20 0 FEADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000190692653 328224915 /nfs/dbraw/zinc/22/49/15/328224915.db2.gz UAWCTUXBYRCCOJ-UHFFFAOYSA-N 1 3 360.502 2.021 20 0 FEADHO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000192731712 328335973 /nfs/dbraw/zinc/33/59/73/328335973.db2.gz VXRSDPCINFGLSD-AYHJJNSGSA-N 1 3 365.543 2.430 20 0 FEADHO CCOc1ccc(OC[C@@H](O)CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056524400 324808552 /nfs/dbraw/zinc/80/85/52/324808552.db2.gz YWOCJVWTCWXAJD-SFHVURJKSA-N 1 3 350.503 2.489 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000077787924 325015911 /nfs/dbraw/zinc/01/59/11/325015911.db2.gz DAEINPBAHOMIQL-MRXNPFEDSA-N 1 3 368.909 2.298 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000079171269 325080055 /nfs/dbraw/zinc/08/00/55/325080055.db2.gz SLLOYAUEVKZEIG-IBGZPJMESA-N 1 3 374.529 2.397 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1cccs1 ZINC000080603650 325136519 /nfs/dbraw/zinc/13/65/19/325136519.db2.gz QMOIYDJWZXDXNL-MRXNPFEDSA-N 1 3 352.548 2.348 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1cccs1 ZINC000080603650 325136523 /nfs/dbraw/zinc/13/65/23/325136523.db2.gz QMOIYDJWZXDXNL-MRXNPFEDSA-N 1 3 352.548 2.348 20 0 FEADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCN1C1CCOCC1 ZINC000089393463 325315222 /nfs/dbraw/zinc/31/52/22/325315222.db2.gz SYKABLGCRJARST-HXUWFJFHSA-N 1 3 372.513 2.058 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CN1C1CC1 ZINC000120870620 326295023 /nfs/dbraw/zinc/29/50/23/326295023.db2.gz MOQSLBBXPVFHKA-RDJZCZTQSA-N 1 3 360.502 2.051 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1COc2ccc(C)cc21 ZINC000120976137 326303951 /nfs/dbraw/zinc/30/39/51/326303951.db2.gz HTOCEDDSCBVCFX-IEBWSBKVSA-N 1 3 374.529 2.486 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1COc2ccc(C)cc21 ZINC000120976137 326303954 /nfs/dbraw/zinc/30/39/54/326303954.db2.gz HTOCEDDSCBVCFX-IEBWSBKVSA-N 1 3 374.529 2.486 20 0 FEADHO COc1cc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc(OC)c1OC ZINC000154375964 326758525 /nfs/dbraw/zinc/75/85/25/326758525.db2.gz XAGLKMGMRPONRL-MRXNPFEDSA-N 1 3 365.518 2.391 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171652608 327152201 /nfs/dbraw/zinc/15/22/01/327152201.db2.gz KSHWGDKLACQIRL-VQTJNVASSA-N 1 3 358.530 2.429 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ccsc1 ZINC000173897124 327292568 /nfs/dbraw/zinc/29/25/68/327292568.db2.gz IXLCJOVIUPBCDH-QGZVFWFLSA-N 1 3 352.548 2.348 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ccsc1 ZINC000173897124 327292569 /nfs/dbraw/zinc/29/25/69/327292569.db2.gz IXLCJOVIUPBCDH-QGZVFWFLSA-N 1 3 352.548 2.348 20 0 FEADHO Cc1ccc(OC[C@@H](O)CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173948479 327296955 /nfs/dbraw/zinc/29/69/55/327296955.db2.gz PBQNDIUGGWCSKG-IBGZPJMESA-N 1 3 362.514 2.312 20 0 FEADHO CC[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1)N(CC)CC ZINC000265454534 329128656 /nfs/dbraw/zinc/12/86/56/329128656.db2.gz VGUNOTNSVNLYGC-IEBWSBKVSA-N 1 3 374.529 2.443 20 0 FEADHO CC[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1)N(CC)CC ZINC000265454534 329128658 /nfs/dbraw/zinc/12/86/58/329128658.db2.gz VGUNOTNSVNLYGC-IEBWSBKVSA-N 1 3 374.529 2.443 20 0 FEADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000267304794 329312592 /nfs/dbraw/zinc/31/25/92/329312592.db2.gz KUJWTGVUCMKVKU-SFHVURJKSA-N 1 3 372.513 2.082 20 0 FEADHO CC(C)N(C)CC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000267858554 329363543 /nfs/dbraw/zinc/36/35/43/329363543.db2.gz FVFUGEZLHSZFOV-UHFFFAOYSA-N 1 3 351.466 2.125 20 0 FEADHO CC(C)N(CCN(C)C)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000269635303 329536073 /nfs/dbraw/zinc/53/60/73/329536073.db2.gz GCIZCGUKXKLRIC-UHFFFAOYSA-N 1 3 350.507 2.109 20 0 FEADHO CC(C)[C@H](CCO)[NH2+][C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000274139709 329919192 /nfs/dbraw/zinc/91/91/92/329919192.db2.gz ZHKAVQVFZBLJCC-XLIONFOSSA-N 1 3 361.530 2.152 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCCCCC1 ZINC000275559064 330063567 /nfs/dbraw/zinc/06/35/67/330063567.db2.gz GWUDRAAXXJOINU-UHFFFAOYSA-N 1 3 374.529 2.112 20 0 FEADHO CCC[C@@H](C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1)N(C)C ZINC000367029877 330208813 /nfs/dbraw/zinc/20/88/13/330208813.db2.gz NXYWDSQVTFLIIB-IBGZPJMESA-N 1 3 352.567 2.029 20 0 FEADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000367093775 330215985 /nfs/dbraw/zinc/21/59/85/330215985.db2.gz MLDYQUYWKPKFAF-HXUWFJFHSA-N 1 3 373.545 2.421 20 0 FEADHO C[C@@]1([NH2+]CC2(CN[C@@]3(C)CCO[C@H]3C3CC3)COC2)CCO[C@@H]1C1CC1 ZINC000359961995 534274706 /nfs/dbraw/zinc/27/47/06/534274706.db2.gz UOCHWGIFXYQOJU-FGYAAKKASA-N 1 3 364.530 2.097 20 0 FEADHO C[C@@]1(NCC2(C[NH2+][C@@]3(C)CCO[C@H]3C3CC3)COC2)CCO[C@@H]1C1CC1 ZINC000359961995 534274710 /nfs/dbraw/zinc/27/47/10/534274710.db2.gz UOCHWGIFXYQOJU-FGYAAKKASA-N 1 3 364.530 2.097 20 0 FEADHO CCCN(CCN1CCCCC1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000806319485 674373629 /nfs/dbraw/zinc/37/36/29/674373629.db2.gz OEGMWUFKKFUIPW-UHFFFAOYSA-N 1 3 350.511 2.175 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000155517668 545536905 /nfs/dbraw/zinc/53/69/05/545536905.db2.gz LRSFFXCWZYASAG-SFHVURJKSA-N 1 3 374.529 2.171 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000155517668 545536907 /nfs/dbraw/zinc/53/69/07/545536907.db2.gz LRSFFXCWZYASAG-SFHVURJKSA-N 1 3 374.529 2.171 20 0 FEADHO CN1CCCN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000477640795 561150154 /nfs/dbraw/zinc/15/01/54/561150154.db2.gz AKJBPPGSWULGKW-UHFFFAOYSA-N 1 3 360.502 2.008 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000158743179 545891530 /nfs/dbraw/zinc/89/15/30/545891530.db2.gz NRJBFQXAVSLAQU-ICSRJNTNSA-N 1 3 360.546 2.069 20 0 FEADHO COCCCN1CCC(NC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000171196239 546195280 /nfs/dbraw/zinc/19/52/80/546195280.db2.gz RPBLTUXEACECNO-ROUUACIJSA-N 1 3 368.566 2.155 20 0 FEADHO COCCCN1CCC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000171189529 546195799 /nfs/dbraw/zinc/19/57/99/546195799.db2.gz SBBLKXUASPYRHI-UHFFFAOYSA-N 1 3 354.539 2.096 20 0 FEADHO COCCCN(C)CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000175739132 546342341 /nfs/dbraw/zinc/34/23/41/546342341.db2.gz GUQLKCPOYUXQJN-MOPGFXCFSA-N 1 3 368.566 2.251 20 0 FEADHO COCCCN(C)CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000175739132 546342343 /nfs/dbraw/zinc/34/23/43/546342343.db2.gz GUQLKCPOYUXQJN-MOPGFXCFSA-N 1 3 368.566 2.251 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nnc3n2CCCCC3)[C@@H](C)C1 ZINC000480177533 561204205 /nfs/dbraw/zinc/20/42/05/561204205.db2.gz GAVUHOWHLLVILQ-ROUUACIJSA-N 1 3 363.550 2.274 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NCCc2nnc3n2CCCCC3)[C@@H](C)C1 ZINC000480177533 561204206 /nfs/dbraw/zinc/20/42/06/561204206.db2.gz GAVUHOWHLLVILQ-ROUUACIJSA-N 1 3 363.550 2.274 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C(C)C)N2CCOCC2)[C@@H](C)C1 ZINC000480266805 561205968 /nfs/dbraw/zinc/20/59/68/561205968.db2.gz PKIGXNZVWPVEJU-SLFFLAALSA-N 1 3 355.567 2.070 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C(C)C)N2CCOCC2)[C@@H](C)C1 ZINC000480266805 561205969 /nfs/dbraw/zinc/20/59/69/561205969.db2.gz PKIGXNZVWPVEJU-SLFFLAALSA-N 1 3 355.567 2.070 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000176620126 546468254 /nfs/dbraw/zinc/46/82/54/546468254.db2.gz UQJAFICWUFQEKZ-LJQANCHMSA-N 1 3 368.566 2.392 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000176620126 546468258 /nfs/dbraw/zinc/46/82/58/546468258.db2.gz UQJAFICWUFQEKZ-LJQANCHMSA-N 1 3 368.566 2.392 20 0 FEADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000480501669 561210635 /nfs/dbraw/zinc/21/06/35/561210635.db2.gz WARUXEAORMXYEW-FXAWDEMLSA-N 1 3 356.514 2.389 20 0 FEADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000480501669 561210636 /nfs/dbraw/zinc/21/06/36/561210636.db2.gz WARUXEAORMXYEW-FXAWDEMLSA-N 1 3 356.514 2.389 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481022814 561223227 /nfs/dbraw/zinc/22/32/27/561223227.db2.gz KJQZSKYTAWGTPA-JZXOWHBKSA-N 1 3 356.580 2.091 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481022814 561223228 /nfs/dbraw/zinc/22/32/28/561223228.db2.gz KJQZSKYTAWGTPA-JZXOWHBKSA-N 1 3 356.580 2.091 20 0 FEADHO CN(C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000179102817 546899242 /nfs/dbraw/zinc/89/92/42/546899242.db2.gz PILBGSNMQHJJAL-RDJZCZTQSA-N 1 3 355.404 2.261 20 0 FEADHO CC(C)[C@H](C(=O)N1CCC(OCCC[NH+](C)C)CC1)N1CCCCC1 ZINC000482000477 561247112 /nfs/dbraw/zinc/24/71/12/561247112.db2.gz PRGFMPRLNSYRET-LJQANCHMSA-N 1 3 353.551 2.456 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000179879923 547023519 /nfs/dbraw/zinc/02/35/19/547023519.db2.gz PAVHUSKJEAOYCL-SFHVURJKSA-N 1 3 373.541 2.480 20 0 FEADHO Cc1c([C@H](C)NCC2CC[NH+](CCN(C)C)CC2)nnn1-c1ccccc1 ZINC000482364319 561253004 /nfs/dbraw/zinc/25/30/04/561253004.db2.gz VOANVQWBDTWJMU-KRWDZBQOSA-N 1 3 370.545 2.500 20 0 FEADHO CC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(=O)N1CCOCC1 ZINC000180170185 547061601 /nfs/dbraw/zinc/06/16/01/547061601.db2.gz UHDUCXBBFHILSI-XSDIEEQYSA-N 1 3 371.525 2.124 20 0 FEADHO CN1CCC[C@H]1CNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000181071252 547243212 /nfs/dbraw/zinc/24/32/12/547243212.db2.gz IKPHJSOJDHPUQV-IBGZPJMESA-N 1 3 374.529 2.097 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)NCC[NH+]2CCCCCC2)CC1 ZINC000183398763 547650783 /nfs/dbraw/zinc/65/07/83/547650783.db2.gz WYCWYXWTOYFDNU-KRWDZBQOSA-N 1 3 367.534 2.032 20 0 FEADHO COC[C@@H](NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000183479113 547667801 /nfs/dbraw/zinc/66/78/01/547667801.db2.gz GPLYDAAAOHAGNJ-HXUWFJFHSA-N 1 3 359.514 2.090 20 0 FEADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000484939097 561309010 /nfs/dbraw/zinc/30/90/10/561309010.db2.gz RLDBRAUABWZHEY-PBHICJAKSA-N 1 3 355.486 2.487 20 0 FEADHO CN1CCN(CCC(C)(C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000185039874 547922592 /nfs/dbraw/zinc/92/25/92/547922592.db2.gz IVAZZMSLOZNPQR-UHFFFAOYSA-N 1 3 367.582 2.011 20 0 FEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000485692142 561325911 /nfs/dbraw/zinc/32/59/11/561325911.db2.gz KWKIYSBAMYHNNI-NXHRZFHOSA-N 1 3 357.498 2.289 20 0 FEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000485692142 561325912 /nfs/dbraw/zinc/32/59/12/561325912.db2.gz KWKIYSBAMYHNNI-NXHRZFHOSA-N 1 3 357.498 2.289 20 0 FEADHO CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)C1CCN(Cc2ccccc2)CC1 ZINC000485812404 561328840 /nfs/dbraw/zinc/32/88/40/561328840.db2.gz DDZNZZAPRLJSIF-KRWDZBQOSA-N 1 3 367.497 2.223 20 0 FEADHO CN(C)Cc1ccccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000486757568 561355852 /nfs/dbraw/zinc/35/58/52/561355852.db2.gz CMJSHSGKSFSLBC-WOJBJXKFSA-N 1 3 359.514 2.246 20 0 FEADHO COCCN1CCC(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000195141076 548583604 /nfs/dbraw/zinc/58/36/04/548583604.db2.gz JXQPRMFTABGOAO-UHFFFAOYSA-N 1 3 374.529 2.192 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000195269886 548607324 /nfs/dbraw/zinc/60/73/24/548607324.db2.gz YLGKLZAKIIZNAF-UHFFFAOYSA-N 1 3 374.485 2.138 20 0 FEADHO CC[C@H]1CN(CCNCc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000487212546 561366218 /nfs/dbraw/zinc/36/62/18/561366218.db2.gz URICNAIBQIOZCJ-NRFANRHFSA-N 1 3 374.573 2.417 20 0 FEADHO CC[C@H]1CN(CC[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CCO1 ZINC000487212546 561366219 /nfs/dbraw/zinc/36/62/19/561366219.db2.gz URICNAIBQIOZCJ-NRFANRHFSA-N 1 3 374.573 2.417 20 0 FEADHO C[C@@]1(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000237578206 548836346 /nfs/dbraw/zinc/83/63/46/548836346.db2.gz RTVRKUIXGJCEMF-JOCHJYFZSA-N 1 3 372.557 2.090 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000245419907 548912985 /nfs/dbraw/zinc/91/29/85/548912985.db2.gz HHSZGROFKRNVJS-CTNGQTDRSA-N 1 3 372.557 2.306 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)CC2)c1 ZINC000245419907 548912988 /nfs/dbraw/zinc/91/29/88/548912988.db2.gz HHSZGROFKRNVJS-CTNGQTDRSA-N 1 3 372.557 2.306 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)[C@@H](C)C1 ZINC000245589319 548952853 /nfs/dbraw/zinc/95/28/53/548952853.db2.gz AVQBKJTWJNPISG-RDGPPVDQSA-N 1 3 366.550 2.002 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)[C@@H](C)C1 ZINC000245589319 548952856 /nfs/dbraw/zinc/95/28/56/548952856.db2.gz AVQBKJTWJNPISG-RDGPPVDQSA-N 1 3 366.550 2.002 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)[C@@H](C)C1 ZINC000245677019 548972895 /nfs/dbraw/zinc/97/28/95/548972895.db2.gz GBDAROBZIYVRJF-OKYOBFRVSA-N 1 3 368.566 2.248 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)[C@@H](C)C1 ZINC000245677019 548972900 /nfs/dbraw/zinc/97/29/00/548972900.db2.gz GBDAROBZIYVRJF-OKYOBFRVSA-N 1 3 368.566 2.248 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000245905977 549016023 /nfs/dbraw/zinc/01/60/23/549016023.db2.gz FHBWJYMOMBNJBU-AZUAARDMSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000245905977 549016026 /nfs/dbraw/zinc/01/60/26/549016026.db2.gz FHBWJYMOMBNJBU-AZUAARDMSA-N 1 3 374.529 2.253 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000246156963 549065695 /nfs/dbraw/zinc/06/56/95/549065695.db2.gz DNCMOBBALGCSAS-FXAWDEMLSA-N 1 3 358.530 2.416 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000246156963 549065697 /nfs/dbraw/zinc/06/56/97/549065697.db2.gz DNCMOBBALGCSAS-FXAWDEMLSA-N 1 3 358.530 2.416 20 0 FEADHO C[C@H](CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000488536033 561391493 /nfs/dbraw/zinc/39/14/93/561391493.db2.gz MYEDGDCDSWVTKM-NCXUSEDFSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246441582 549133827 /nfs/dbraw/zinc/13/38/27/549133827.db2.gz WPTNOBMURPBOTO-ICSRJNTNSA-N 1 3 372.557 2.039 20 0 FEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000246561919 549162759 /nfs/dbraw/zinc/16/27/59/549162759.db2.gz WUDYKPKMLAFUFI-VQTJNVASSA-N 1 3 360.546 2.436 20 0 FEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000246561919 549162761 /nfs/dbraw/zinc/16/27/61/549162761.db2.gz WUDYKPKMLAFUFI-VQTJNVASSA-N 1 3 360.546 2.436 20 0 FEADHO CCN1CC[C@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)[C@@H](C)C1 ZINC000246951688 549248913 /nfs/dbraw/zinc/24/89/13/549248913.db2.gz IDAANQNLSDMWMW-DBVUQKKJSA-N 1 3 359.514 2.415 20 0 FEADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000246971051 549253994 /nfs/dbraw/zinc/25/39/94/549253994.db2.gz JECXTEPTRURXJX-HZPDHXFCSA-N 1 3 363.527 2.361 20 0 FEADHO COc1ccc(COC[C@H](O)C[N@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC000247254893 549307110 /nfs/dbraw/zinc/30/71/10/549307110.db2.gz FBCIJINEHZAQGO-RTBURBONSA-N 1 3 350.503 2.379 20 0 FEADHO COc1ccc(COC[C@H](O)C[N@@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC000247254893 549307112 /nfs/dbraw/zinc/30/71/12/549307112.db2.gz FBCIJINEHZAQGO-RTBURBONSA-N 1 3 350.503 2.379 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CC(C(F)(F)F)C3)CC2)CC1 ZINC000489276696 561407133 /nfs/dbraw/zinc/40/71/33/561407133.db2.gz KZPYKQPMANBAQH-UHFFFAOYSA-N 1 3 362.440 2.185 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CCC[C@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000248403193 549429103 /nfs/dbraw/zinc/42/91/03/549429103.db2.gz XJQRNXQAEACYEO-LEWJYISDSA-N 1 3 372.557 2.356 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000248874982 549518988 /nfs/dbraw/zinc/51/89/88/549518988.db2.gz QZUZDSNVOLXJRT-IMFGXOCKSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000248874982 549518993 /nfs/dbraw/zinc/51/89/93/549518993.db2.gz QZUZDSNVOLXJRT-IMFGXOCKSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000250230248 549640837 /nfs/dbraw/zinc/64/08/37/549640837.db2.gz IXRXIHYTKJMMDA-BBWFWOEESA-N 1 3 374.529 2.169 20 0 FEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000250230248 549640840 /nfs/dbraw/zinc/64/08/40/549640840.db2.gz IXRXIHYTKJMMDA-BBWFWOEESA-N 1 3 374.529 2.169 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000252442050 549664106 /nfs/dbraw/zinc/66/41/06/549664106.db2.gz GDCBVGIGEJQYRE-GBESFXJTSA-N 1 3 368.566 2.155 20 0 FEADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](N)C2CCOCC2)C1 ZINC000261674157 549741677 /nfs/dbraw/zinc/74/16/77/549741677.db2.gz GOCHMJKRBNOAAE-OXQOHEQNSA-N 1 3 359.514 2.289 20 0 FEADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](N)C2CCOCC2)C1 ZINC000261674157 549741678 /nfs/dbraw/zinc/74/16/78/549741678.db2.gz GOCHMJKRBNOAAE-OXQOHEQNSA-N 1 3 359.514 2.289 20 0 FEADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)CC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000261747325 549750777 /nfs/dbraw/zinc/75/07/77/549750777.db2.gz GZVBLRATTJRMHG-OAHLLOKOSA-N 1 3 373.501 2.231 20 0 FEADHO COc1cc(NC(=O)CCN2CC[C@@](C)(C[NH3+])C2)c(OC)cc1Cl ZINC000261856793 549762687 /nfs/dbraw/zinc/76/26/87/549762687.db2.gz RXCVRNRHXYNOQE-KRWDZBQOSA-N 1 3 355.866 2.357 20 0 FEADHO COc1cc(NC(=O)CC[N@@H+]2CC[C@@](C)(CN)C2)c(OC)cc1Cl ZINC000261856793 549762689 /nfs/dbraw/zinc/76/26/89/549762689.db2.gz RXCVRNRHXYNOQE-KRWDZBQOSA-N 1 3 355.866 2.357 20 0 FEADHO COc1cc(NC(=O)CC[N@H+]2CC[C@@](C)(CN)C2)c(OC)cc1Cl ZINC000261856793 549762691 /nfs/dbraw/zinc/76/26/91/549762691.db2.gz RXCVRNRHXYNOQE-KRWDZBQOSA-N 1 3 355.866 2.357 20 0 FEADHO CC1CCN([C@@H](CNC(=O)C2(C[NH3+])CCOCC2)c2ccccc2)CC1 ZINC000262140371 549792124 /nfs/dbraw/zinc/79/21/24/549792124.db2.gz HCNPSWLVEVRWJM-IBGZPJMESA-N 1 3 359.514 2.331 20 0 FEADHO CN1CCN(CCCNC(=O)C2([NH3+])CCCCC2)[C@H](c2ccccc2)C1 ZINC000262200216 549797595 /nfs/dbraw/zinc/79/75/95/549797595.db2.gz VYLYUAVDYXXHNS-IBGZPJMESA-N 1 3 358.530 2.143 20 0 FEADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262704113 549840717 /nfs/dbraw/zinc/84/07/17/549840717.db2.gz CUSVQPNKRBAJHC-ICSRJNTNSA-N 1 3 367.497 2.375 20 0 FEADHO CN(C)CCn1c2cc(NC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])ccc2oc1=O ZINC000263003884 549870557 /nfs/dbraw/zinc/87/05/57/549870557.db2.gz OYUPDXVRLLDVJR-AUUYWEPGSA-N 1 3 360.458 2.002 20 0 FEADHO CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c2C1 ZINC000264003773 549966663 /nfs/dbraw/zinc/96/66/63/549966663.db2.gz ZZAUNLKRAOPYNC-CABCVRRESA-N 1 3 360.502 2.052 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000269196224 550166510 /nfs/dbraw/zinc/16/65/10/550166510.db2.gz LNCADSGFNYSSKI-IEBWSBKVSA-N 1 3 358.530 2.335 20 0 FEADHO CC(C)(C)[C@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000269255399 550172803 /nfs/dbraw/zinc/17/28/03/550172803.db2.gz JPNUWIOLYKNFJS-QGZVFWFLSA-N 1 3 351.466 2.159 20 0 FEADHO CN1CCN(CCCNC(=O)CCCCCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000269303502 550178741 /nfs/dbraw/zinc/17/87/41/550178741.db2.gz RRHSUTACGQVLJS-HXUWFJFHSA-N 1 3 360.546 2.391 20 0 FEADHO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C1CCN(Cc2ccccc2)CC1 ZINC000269360337 550185517 /nfs/dbraw/zinc/18/55/17/550185517.db2.gz KJMKOYLPWPDHGU-OAQYLSRUSA-N 1 3 373.541 2.252 20 0 FEADHO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)C1CCN(Cc2ccccc2)CC1 ZINC000269360337 550185521 /nfs/dbraw/zinc/18/55/21/550185521.db2.gz KJMKOYLPWPDHGU-OAQYLSRUSA-N 1 3 373.541 2.252 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000270300278 550260159 /nfs/dbraw/zinc/26/01/59/550260159.db2.gz BIYMOWDFHCRERJ-HXUWFJFHSA-N 1 3 372.557 2.403 20 0 FEADHO C[N@@H+]1CCCC[C@@H]1CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271456506 550377000 /nfs/dbraw/zinc/37/70/00/550377000.db2.gz WFINBXZUFQUJSH-YADHBBJMSA-N 1 3 356.558 2.363 20 0 FEADHO C[N@H+]1CCCC[C@@H]1CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271456506 550377001 /nfs/dbraw/zinc/37/70/01/550377001.db2.gz WFINBXZUFQUJSH-YADHBBJMSA-N 1 3 356.558 2.363 20 0 FEADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc([S@@](C)=O)cc1 ZINC000271500741 550380480 /nfs/dbraw/zinc/38/04/80/550380480.db2.gz LWYUYJIHTKDRSO-KSTZOCBDSA-N 1 3 350.528 2.452 20 0 FEADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000271753553 550399578 /nfs/dbraw/zinc/39/95/78/550399578.db2.gz RYGYGIJEOYRMHG-HNNXBMFYSA-N 1 3 374.510 2.296 20 0 FEADHO Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)c1 ZINC000494289195 561466669 /nfs/dbraw/zinc/46/66/69/561466669.db2.gz ZCJROQFSWPMGGK-NRFANRHFSA-N 1 3 370.541 2.250 20 0 FEADHO Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)c1 ZINC000494289195 561466670 /nfs/dbraw/zinc/46/66/70/561466670.db2.gz ZCJROQFSWPMGGK-NRFANRHFSA-N 1 3 370.541 2.250 20 0 FEADHO Cc1ccc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c(OCC[NH+](C)C)c1 ZINC000272376373 550442096 /nfs/dbraw/zinc/44/20/96/550442096.db2.gz HETFYKAYLUVQLI-AEFFLSMTSA-N 1 3 360.502 2.493 20 0 FEADHO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000272385867 550443125 /nfs/dbraw/zinc/44/31/25/550443125.db2.gz GCBVSHYLHBMFMY-BURNTYAHSA-N 1 3 370.541 2.111 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC000272593889 550459479 /nfs/dbraw/zinc/45/94/79/550459479.db2.gz OJCXMMXNPQSTHY-MJGOQNOKSA-N 1 3 357.502 2.034 20 0 FEADHO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272875931 550474947 /nfs/dbraw/zinc/47/49/47/550474947.db2.gz XAIBMKDJGIFLAN-DFQSSKMNSA-N 1 3 360.498 2.409 20 0 FEADHO C[C@H](NC[C@@H]1COC2(CCOCC2)O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272875931 550474949 /nfs/dbraw/zinc/47/49/49/550474949.db2.gz XAIBMKDJGIFLAN-DFQSSKMNSA-N 1 3 360.498 2.409 20 0 FEADHO C[C@H](NC[C@@H]1COC2(CCOCC2)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272875931 550474951 /nfs/dbraw/zinc/47/49/51/550474951.db2.gz XAIBMKDJGIFLAN-DFQSSKMNSA-N 1 3 360.498 2.409 20 0 FEADHO CN(c1ccccc1CN1CC[C@@H](N2CCCC2=O)C1)C1CC[NH+](C)CC1 ZINC000276762081 550593235 /nfs/dbraw/zinc/59/32/35/550593235.db2.gz HCDOANVWXBEWBC-HXUWFJFHSA-N 1 3 370.541 2.414 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000278258849 550766164 /nfs/dbraw/zinc/76/61/64/550766164.db2.gz CSWSLUGXNRJTOP-INIZCTEOSA-N 1 3 360.502 2.465 20 0 FEADHO C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000279322741 550877365 /nfs/dbraw/zinc/87/73/65/550877365.db2.gz SLESHEORSBQCII-CUWPLCDZSA-N 1 3 373.541 2.296 20 0 FEADHO CCN1CCN(CCC[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000280128550 550963466 /nfs/dbraw/zinc/96/34/66/550963466.db2.gz CXIMLTFNJKXZBE-UHFFFAOYSA-N 1 3 362.909 2.038 20 0 FEADHO CC(C)N1CCN(CCC[N@H+](C)Cc2ccccc2N2CCOCC2)CC1 ZINC000282794400 551271040 /nfs/dbraw/zinc/27/10/40/551271040.db2.gz WRYVRLSAVJZCDB-UHFFFAOYSA-N 1 3 374.573 2.371 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+](C)Cc2ccccc2N2CCOCC2)CC1 ZINC000282794400 551271041 /nfs/dbraw/zinc/27/10/41/551271041.db2.gz WRYVRLSAVJZCDB-UHFFFAOYSA-N 1 3 374.573 2.371 20 0 FEADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccco1 ZINC000498592588 561529794 /nfs/dbraw/zinc/52/97/94/561529794.db2.gz LSVOEPWJLZGLQO-HDMKZQKVSA-N 1 3 368.547 2.445 20 0 FEADHO C[C@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(=O)[nH]n1 ZINC000285944254 551830375 /nfs/dbraw/zinc/83/03/75/551830375.db2.gz DPLAWAMPAJRWFB-INIZCTEOSA-N 1 3 356.470 2.138 20 0 FEADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000286256156 551866506 /nfs/dbraw/zinc/86/65/06/551866506.db2.gz UOLSMKGZMJYUBZ-FQEVSTJZSA-N 1 3 355.482 2.420 20 0 FEADHO CN1CCC(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000286568001 551901028 /nfs/dbraw/zinc/90/10/28/551901028.db2.gz FJFHVRYYVCSMDY-NRFANRHFSA-N 1 3 356.514 2.388 20 0 FEADHO CN1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000286568001 551901030 /nfs/dbraw/zinc/90/10/30/551901030.db2.gz FJFHVRYYVCSMDY-NRFANRHFSA-N 1 3 356.514 2.388 20 0 FEADHO CN(C)C[C@H](NC(=O)NCCC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000287294783 551986448 /nfs/dbraw/zinc/98/64/48/551986448.db2.gz FWFPGLKTANRCQY-SFHVURJKSA-N 1 3 350.482 2.460 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000287312813 551987993 /nfs/dbraw/zinc/98/79/93/551987993.db2.gz GYUCVYXKCJSSRM-LJQANCHMSA-N 1 3 362.518 2.329 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000288620145 552186460 /nfs/dbraw/zinc/18/64/60/552186460.db2.gz VOAWKZOBNIRXCO-FQEVSTJZSA-N 1 3 374.529 2.472 20 0 FEADHO COc1ccc(C[C@@](C)(O)CNC2CC[NH+](C(C)C)CC2)cc1OC ZINC000290034394 552417094 /nfs/dbraw/zinc/41/70/94/552417094.db2.gz DBBSHHLIDSKGLT-HXUWFJFHSA-N 1 3 350.503 2.460 20 0 FEADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NC3CCN(CCc4ccccc4)CC3)C2)C1 ZINC000291653682 552647560 /nfs/dbraw/zinc/64/75/60/552647560.db2.gz KUKRRDJDURVODZ-JOCHJYFZSA-N 1 3 370.541 2.431 20 0 FEADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NC3CCN(CCc4ccccc4)CC3)C2)C1 ZINC000291653682 552647561 /nfs/dbraw/zinc/64/75/61/552647561.db2.gz KUKRRDJDURVODZ-JOCHJYFZSA-N 1 3 370.541 2.431 20 0 FEADHO CN1CC[C@@]2(CC[N@H+](C[C@H](O)COc3ccccc3C(F)(F)F)C2)C1 ZINC000292272395 552710956 /nfs/dbraw/zinc/71/09/56/552710956.db2.gz ZQQABXWJGROQQM-WMLDXEAASA-N 1 3 358.404 2.473 20 0 FEADHO CN1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccccc3C(F)(F)F)C2)C1 ZINC000292272395 552710958 /nfs/dbraw/zinc/71/09/58/552710958.db2.gz ZQQABXWJGROQQM-WMLDXEAASA-N 1 3 358.404 2.473 20 0 FEADHO O=C1CCC(=O)N1CCN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293334230 552812442 /nfs/dbraw/zinc/81/24/42/552812442.db2.gz MSSWBXXZMDBHKE-UHFFFAOYSA-N 1 3 355.482 2.124 20 0 FEADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCN3CCN(c4ccccc4)CC3)C2)C1 ZINC000294372969 552901161 /nfs/dbraw/zinc/90/11/61/552901161.db2.gz ZOVAUPNMHHCZKM-JOCHJYFZSA-N 1 3 370.541 2.143 20 0 FEADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)CCN3CCN(c4ccccc4)CC3)C2)C1 ZINC000294372969 552901162 /nfs/dbraw/zinc/90/11/62/552901162.db2.gz ZOVAUPNMHHCZKM-JOCHJYFZSA-N 1 3 370.541 2.143 20 0 FEADHO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(CN3CC[C@H](C)[C@@H]3CO)c2)[C@H]1CO ZINC000295854392 553068157 /nfs/dbraw/zinc/06/81/57/553068157.db2.gz BLMQHANBYAGFLR-QBTDHISASA-N 1 3 350.478 2.231 20 0 FEADHO C[C@@H]1CC[N@H+](Cc2ccc(F)c(CN3CC[C@H](C)[C@@H]3CO)c2)[C@H]1CO ZINC000295854392 553068158 /nfs/dbraw/zinc/06/81/58/553068158.db2.gz BLMQHANBYAGFLR-QBTDHISASA-N 1 3 350.478 2.231 20 0 FEADHO Cc1cccnc1CCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000296376520 553150027 /nfs/dbraw/zinc/15/00/27/553150027.db2.gz OYDUOHFLGXEACH-UHFFFAOYSA-N 1 3 373.545 2.180 20 0 FEADHO c1ccc(CN2CCN(CCC[NH2+]C3CCN(C4CC4)CC3)CC2)cc1 ZINC000298221370 553399860 /nfs/dbraw/zinc/39/98/60/553399860.db2.gz AKXMJRLEKZNLRB-UHFFFAOYSA-N 1 3 356.558 2.411 20 0 FEADHO CN(C)Cc1ccc(C(N)=O)cc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000298234609 553401545 /nfs/dbraw/zinc/40/15/45/553401545.db2.gz BPRMGQWPPIEEDB-UHFFFAOYSA-N 1 3 353.470 2.323 20 0 FEADHO C[C@H]1CN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CCN(C2CC2)C1 ZINC000298261912 553405091 /nfs/dbraw/zinc/40/50/91/553405091.db2.gz LNOOLOFXLRIAGG-QGZVFWFLSA-N 1 3 358.530 2.416 20 0 FEADHO CCN1CCC(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000503502291 561642962 /nfs/dbraw/zinc/64/29/62/561642962.db2.gz JRASDZMYCKYBPD-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCCN(C)CC2)cc1 ZINC000298651281 553454351 /nfs/dbraw/zinc/45/43/51/553454351.db2.gz QCRDATDRSZQOLW-UHFFFAOYSA-N 1 3 362.518 2.254 20 0 FEADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCNc1ccncc1)c1ccccc1 ZINC000503765594 561647856 /nfs/dbraw/zinc/64/78/56/561647856.db2.gz OHVUJLUQJMOXBG-MRXNPFEDSA-N 1 3 355.486 2.344 20 0 FEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCC[C@H]3CNS(C)(=O)=O)CC2)C1 ZINC000504569200 561659879 /nfs/dbraw/zinc/65/98/79/561659879.db2.gz WYPLXCOCHXASPV-NEPXVJNWSA-N 1 3 371.591 2.337 20 0 FEADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](N(C2CCC2)S(C)(=O)=O)CC1 ZINC000328626293 553798570 /nfs/dbraw/zinc/79/85/70/553798570.db2.gz DZTHVHZFAHNOKL-AEFFLSMTSA-N 1 3 357.564 2.139 20 0 FEADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](N(C2CCC2)S(C)(=O)=O)CC1 ZINC000328626293 553798572 /nfs/dbraw/zinc/79/85/72/553798572.db2.gz DZTHVHZFAHNOKL-AEFFLSMTSA-N 1 3 357.564 2.139 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC000505800117 561681113 /nfs/dbraw/zinc/68/11/13/561681113.db2.gz AHTWEDRJACBELZ-YJBOKZPZSA-N 1 3 363.550 2.015 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC000505800117 561681114 /nfs/dbraw/zinc/68/11/14/561681114.db2.gz AHTWEDRJACBELZ-YJBOKZPZSA-N 1 3 363.550 2.015 20 0 FEADHO COCC(=O)N1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000507472337 561730246 /nfs/dbraw/zinc/73/02/46/561730246.db2.gz QUXAGWYZLRKHDO-SESVDKBCSA-N 1 3 371.525 2.124 20 0 FEADHO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C2CCN(c3ccncc3)CC2)cn1 ZINC000330126158 554069739 /nfs/dbraw/zinc/06/97/39/554069739.db2.gz MFTYKVIUIBHGNW-MJGOQNOKSA-N 1 3 354.458 2.234 20 0 FEADHO C[C@H]1C[NH+](CC2CCN(Cc3ccc4c(c3)oc(=O)n4C)CC2)C[C@H](C)O1 ZINC000507835133 561742734 /nfs/dbraw/zinc/74/27/34/561742734.db2.gz XWTMBOXJGMLVGD-HOTGVXAUSA-N 1 3 373.497 2.453 20 0 FEADHO Cn1c2ccc(CN3CCC(OCC[NH+]4CCCC4)CC3)cc2oc1=O ZINC000508812641 561773607 /nfs/dbraw/zinc/77/36/07/561773607.db2.gz OTUNKLFYYSQJBG-UHFFFAOYSA-N 1 3 359.470 2.208 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000333918970 554656167 /nfs/dbraw/zinc/65/61/67/554656167.db2.gz OOZBMYDQBSTMQC-YSIASYRMSA-N 1 3 356.514 2.338 20 0 FEADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000360535957 554878821 /nfs/dbraw/zinc/87/88/21/554878821.db2.gz HIOGULQKYSGJAF-AHRSYUTCSA-N 1 3 359.514 2.367 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000360535957 554878825 /nfs/dbraw/zinc/87/88/25/554878825.db2.gz HIOGULQKYSGJAF-AHRSYUTCSA-N 1 3 359.514 2.367 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000360535960 554878940 /nfs/dbraw/zinc/87/89/40/554878940.db2.gz HIOGULQKYSGJAF-UXPWSPDFSA-N 1 3 359.514 2.367 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000360535960 554878942 /nfs/dbraw/zinc/87/89/42/554878942.db2.gz HIOGULQKYSGJAF-UXPWSPDFSA-N 1 3 359.514 2.367 20 0 FEADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000363570380 555139375 /nfs/dbraw/zinc/13/93/75/555139375.db2.gz YGBLWGGLWYAOFG-PMACEKPBSA-N 1 3 374.529 2.191 20 0 FEADHO COc1cc(CNC(=O)C[C@@H]2CCC[NH2+]CC2)ccc1OCCN(C)C ZINC000363689581 555164316 /nfs/dbraw/zinc/16/43/16/555164316.db2.gz UEPUJXZXPFPDLQ-MRXNPFEDSA-N 1 3 363.502 2.032 20 0 FEADHO C[C@H](CCNC(=O)N1CCCN(C2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000363850883 555199091 /nfs/dbraw/zinc/19/90/91/555199091.db2.gz AFSFDBJZBKPLNE-GOSISDBHSA-N 1 3 366.550 2.147 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000364722152 555385402 /nfs/dbraw/zinc/38/54/02/555385402.db2.gz DCHKMHZBJBCLLM-QOSLBHJFSA-N 1 3 351.535 2.003 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000364722152 555385406 /nfs/dbraw/zinc/38/54/06/555385406.db2.gz DCHKMHZBJBCLLM-QOSLBHJFSA-N 1 3 351.535 2.003 20 0 FEADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000365339016 555547821 /nfs/dbraw/zinc/54/78/21/555547821.db2.gz SQMICVFOURJILL-QXAKKESOSA-N 1 3 366.550 2.048 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000365872694 555688838 /nfs/dbraw/zinc/68/88/38/555688838.db2.gz ATNZPMRPHUZQBZ-KURKYZTESA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000365872694 555688843 /nfs/dbraw/zinc/68/88/43/555688843.db2.gz ATNZPMRPHUZQBZ-KURKYZTESA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)CN1C1CC1 ZINC000365919004 555701283 /nfs/dbraw/zinc/70/12/83/555701283.db2.gz IEJABHKXSOXFMB-CVEARBPZSA-N 1 3 357.502 2.317 20 0 FEADHO C[N@@H+]1CC[C@H](NCCN2CCN(c3ccc(F)cc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000514090677 561960030 /nfs/dbraw/zinc/96/00/30/561960030.db2.gz WEKSRMKHUBJMNS-ACRUOGEOSA-N 1 3 360.521 2.410 20 0 FEADHO C[N@H+]1CC[C@H](NCCN2CCN(c3ccc(F)cc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000514090677 561960031 /nfs/dbraw/zinc/96/00/31/561960031.db2.gz WEKSRMKHUBJMNS-ACRUOGEOSA-N 1 3 360.521 2.410 20 0 FEADHO CNC(=O)C[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000514955676 561988766 /nfs/dbraw/zinc/98/87/66/561988766.db2.gz BCDWODBQEUZJFW-MJGOQNOKSA-N 1 3 359.514 2.029 20 0 FEADHO CNC(=O)C[C@@H](C)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000514955676 561988767 /nfs/dbraw/zinc/98/87/67/561988767.db2.gz BCDWODBQEUZJFW-MJGOQNOKSA-N 1 3 359.514 2.029 20 0 FEADHO CNC(=O)C[C@@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000514955676 561988768 /nfs/dbraw/zinc/98/87/68/561988768.db2.gz BCDWODBQEUZJFW-MJGOQNOKSA-N 1 3 359.514 2.029 20 0 FEADHO C[N@H+](CCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)C1CCCCC1 ZINC000514962896 561989039 /nfs/dbraw/zinc/98/90/39/561989039.db2.gz UWAAZLDXUZHMSN-OAQYLSRUSA-N 1 3 373.541 2.176 20 0 FEADHO C[N@@H+](CCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)C1CCCCC1 ZINC000514962896 561989040 /nfs/dbraw/zinc/98/90/40/561989040.db2.gz UWAAZLDXUZHMSN-OAQYLSRUSA-N 1 3 373.541 2.176 20 0 FEADHO CC(C)(C)N1CC[C@](F)(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000368153685 556231979 /nfs/dbraw/zinc/23/19/79/556231979.db2.gz ULIOADMUBHMFDU-MBOZVWFJSA-N 1 3 369.525 2.083 20 0 FEADHO CN(c1ccccc1CN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000368964472 556461042 /nfs/dbraw/zinc/46/10/42/556461042.db2.gz OWKQVNFLIAQXJU-SCWSEQNSSA-N 1 3 370.541 2.303 20 0 FEADHO C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(C[NH+](C)C)CC1 ZINC000369190715 556530941 /nfs/dbraw/zinc/53/09/41/556530941.db2.gz AWSSBGPWOBAZSS-GHTZIAJQSA-N 1 3 372.557 2.039 20 0 FEADHO C[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000369196817 556532701 /nfs/dbraw/zinc/53/27/01/556532701.db2.gz OAQOQSVGMINIOX-FQEVSTJZSA-N 1 3 373.545 2.277 20 0 FEADHO C[C@@H](NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)C1=CC[N@H+](C)CC1 ZINC000369255835 556551995 /nfs/dbraw/zinc/55/19/95/556551995.db2.gz XCHZWXHXWKXKOP-MNEFBYGVSA-N 1 3 357.502 2.024 20 0 FEADHO C[C@@H](NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)C1=CC[N@@H+](C)CC1 ZINC000369255835 556551996 /nfs/dbraw/zinc/55/19/96/556551996.db2.gz XCHZWXHXWKXKOP-MNEFBYGVSA-N 1 3 357.502 2.024 20 0 FEADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCCCC[NH+]1CCCC1 ZINC000369392585 556588633 /nfs/dbraw/zinc/58/86/33/556588633.db2.gz IBYLDGBLYRXZJD-CEXWTWQISA-N 1 3 366.550 2.051 20 0 FEADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000369394303 556588965 /nfs/dbraw/zinc/58/89/65/556588965.db2.gz HAIONBWNGZCBDO-WJFTUGDTSA-N 1 3 368.566 2.151 20 0 FEADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000369394303 556588966 /nfs/dbraw/zinc/58/89/66/556588966.db2.gz HAIONBWNGZCBDO-WJFTUGDTSA-N 1 3 368.566 2.151 20 0 FEADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000369400829 556591364 /nfs/dbraw/zinc/59/13/64/556591364.db2.gz JGXCDMODOPUFQB-NZSAHSFTSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000369400829 556591366 /nfs/dbraw/zinc/59/13/66/556591366.db2.gz JGXCDMODOPUFQB-NZSAHSFTSA-N 1 3 366.550 2.049 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1(C)C ZINC000369814530 556702881 /nfs/dbraw/zinc/70/28/81/556702881.db2.gz QUZLBBBBEOMTNQ-OPYAIIAOSA-N 1 3 359.514 2.252 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1(C)C ZINC000369814530 556702884 /nfs/dbraw/zinc/70/28/84/556702884.db2.gz QUZLBBBBEOMTNQ-OPYAIIAOSA-N 1 3 359.514 2.252 20 0 FEADHO CN1CC[C@@H](CNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)[C@@H]1c1cccnc1 ZINC000370032823 556762367 /nfs/dbraw/zinc/76/23/67/556762367.db2.gz MRYSWUNALHONRZ-OTWHNJEPSA-N 1 3 373.545 2.494 20 0 FEADHO CN1CC[C@@H](CNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)[C@@H]1c1cccnc1 ZINC000370032823 556762369 /nfs/dbraw/zinc/76/23/69/556762369.db2.gz MRYSWUNALHONRZ-OTWHNJEPSA-N 1 3 373.545 2.494 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000370051606 556767677 /nfs/dbraw/zinc/76/76/77/556767677.db2.gz XCXCAGLSCIPXNB-OKZBNKHCSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000370051606 556767679 /nfs/dbraw/zinc/76/76/79/556767679.db2.gz XCXCAGLSCIPXNB-OKZBNKHCSA-N 1 3 366.550 2.002 20 0 FEADHO CN1CCC(N2CC[C@@H]([NH2+]C3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000370110146 556783636 /nfs/dbraw/zinc/78/36/36/556783636.db2.gz HCOCQSCSWFGSRS-QGZVFWFLSA-N 1 3 366.550 2.144 20 0 FEADHO C(CN1CCCO[C@@H]2CCC[C@H]21)OCC[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000370167070 556799363 /nfs/dbraw/zinc/79/93/63/556799363.db2.gz ISLUPJBWFMZVJK-WTGUMLROSA-N 1 3 352.519 2.290 20 0 FEADHO C(CN1CCCO[C@@H]2CCC[C@H]21)OCC[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000370167070 556799366 /nfs/dbraw/zinc/79/93/66/556799366.db2.gz ISLUPJBWFMZVJK-WTGUMLROSA-N 1 3 352.519 2.290 20 0 FEADHO C(CN1CCCO[C@H]2CCC[C@H]21)OCC[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000370167070 556799369 /nfs/dbraw/zinc/79/93/69/556799369.db2.gz ISLUPJBWFMZVJK-WTGUMLROSA-N 1 3 352.519 2.290 20 0 FEADHO C(CN1CCCO[C@H]2CCC[C@H]21)OCC[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000370167070 556799371 /nfs/dbraw/zinc/79/93/71/556799371.db2.gz ISLUPJBWFMZVJK-WTGUMLROSA-N 1 3 352.519 2.290 20 0 FEADHO CC1CC[NH+](CC2CCN(C[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000370346337 556846240 /nfs/dbraw/zinc/84/62/40/556846240.db2.gz FMBWCUWNDAAJCM-IBGZPJMESA-N 1 3 371.591 2.102 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C[C@@H](C)O1 ZINC000370526662 556899971 /nfs/dbraw/zinc/89/99/71/556899971.db2.gz FOGAOUWWDSTILL-QZTJIDSGSA-N 1 3 363.546 2.353 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000370609889 556920857 /nfs/dbraw/zinc/92/08/57/556920857.db2.gz GCTCJXZWAFJCIS-ZCNNSNEGSA-N 1 3 356.514 2.236 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000370609889 556920858 /nfs/dbraw/zinc/92/08/58/556920858.db2.gz GCTCJXZWAFJCIS-ZCNNSNEGSA-N 1 3 356.514 2.236 20 0 FEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000370634159 556925823 /nfs/dbraw/zinc/92/58/23/556925823.db2.gz KFNNAYGRZLVYAB-CBQOVEMMSA-N 1 3 371.573 2.050 20 0 FEADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CNCCCO1 ZINC000516957948 562067331 /nfs/dbraw/zinc/06/73/31/562067331.db2.gz KJWVJDVAIOOPCV-WFASDCNBSA-N 1 3 370.291 2.134 20 0 FEADHO C[C@H]1CN(CCC(=O)NCC2CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371303389 557138563 /nfs/dbraw/zinc/13/85/63/557138563.db2.gz OIEQIXPZEDJLIP-ICSRJNTNSA-N 1 3 364.578 2.031 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000371506796 557204548 /nfs/dbraw/zinc/20/45/48/557204548.db2.gz VGWOAGRSNSEHNQ-PKOBYXMFSA-N 1 3 372.513 2.020 20 0 FEADHO COCCN(CCN(C)C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000517887038 562099845 /nfs/dbraw/zinc/09/98/45/562099845.db2.gz XJGUPJVYUSHBHN-UHFFFAOYSA-N 1 3 368.566 2.395 20 0 FEADHO CN1CCC([NH+]2CCC(CCNCc3cnc4cnccn34)CC2)CC1 ZINC000372187984 557403765 /nfs/dbraw/zinc/40/37/65/557403765.db2.gz UHQKFESPWPVQJR-UHFFFAOYSA-N 1 3 356.518 2.015 20 0 FEADHO CN(CCOCC(F)(F)C(F)F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372746103 557553123 /nfs/dbraw/zinc/55/31/23/557553123.db2.gz URDZGNKLBHVVCL-CQSZACIVSA-N 1 3 355.420 2.004 20 0 FEADHO CN(CCOCC(F)(F)C(F)F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372746103 557553124 /nfs/dbraw/zinc/55/31/24/557553124.db2.gz URDZGNKLBHVVCL-CQSZACIVSA-N 1 3 355.420 2.004 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCCO1 ZINC000372974606 557600884 /nfs/dbraw/zinc/60/08/84/557600884.db2.gz AXNKETJUAOTRTK-MOPGFXCFSA-N 1 3 366.550 2.147 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H]3CCN(C)[C@H]3C2)CC1 ZINC000373191466 557647274 /nfs/dbraw/zinc/64/72/74/557647274.db2.gz QNIDZWQKOIIYMW-MOPGFXCFSA-N 1 3 350.551 2.480 20 0 FEADHO O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000373281790 557664670 /nfs/dbraw/zinc/66/46/70/557664670.db2.gz URZXBELMSCWVCH-PWRODBHTSA-N 1 3 371.525 2.134 20 0 FEADHO O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000373281790 557664672 /nfs/dbraw/zinc/66/46/72/557664672.db2.gz URZXBELMSCWVCH-PWRODBHTSA-N 1 3 371.525 2.134 20 0 FEADHO C[NH+](C)CC1(CNC(=O)N2CCCN(C3CCOCC3)CC2)CCCC1 ZINC000373377331 557682567 /nfs/dbraw/zinc/68/25/67/557682567.db2.gz LJPFRGAMNLNMHE-UHFFFAOYSA-N 1 3 366.550 2.005 20 0 FEADHO C[C@H](CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)[N@H+](C)Cc1ccccc1 ZINC000373435067 557692782 /nfs/dbraw/zinc/69/27/82/557692782.db2.gz JVVDQGGOERBMFB-CNTRQJEFSA-N 1 3 359.514 2.156 20 0 FEADHO C[C@H](CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000373435067 557692785 /nfs/dbraw/zinc/69/27/85/557692785.db2.gz JVVDQGGOERBMFB-CNTRQJEFSA-N 1 3 359.514 2.156 20 0 FEADHO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000374191406 557840987 /nfs/dbraw/zinc/84/09/87/557840987.db2.gz AFQAQUFOUTYLIM-TZIWHRDSSA-N 1 3 358.530 2.492 20 0 FEADHO C[C@H]1CN(CCC(=O)N(C)c2ccccc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000374611543 557906692 /nfs/dbraw/zinc/90/66/92/557906692.db2.gz MABCEAPTERZYGL-SFHVURJKSA-N 1 3 358.530 2.140 20 0 FEADHO C[C@H]1CN(CCC(=O)N(C)c2ccccc2)CC[N@H+]1C1CCN(C)CC1 ZINC000374611543 557906693 /nfs/dbraw/zinc/90/66/93/557906693.db2.gz MABCEAPTERZYGL-SFHVURJKSA-N 1 3 358.530 2.140 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000521217394 562172069 /nfs/dbraw/zinc/17/20/69/562172069.db2.gz ZUDWNKZOKMEJLS-BHIYHBOVSA-N 1 3 359.518 2.076 20 0 FEADHO C(N1CC[C@]2(C1)CCCOC2)C1(C[N@@H+]2CC[C@]3(C2)CCCOC3)COC1 ZINC000375306031 558006848 /nfs/dbraw/zinc/00/68/48/558006848.db2.gz YQLLLVIOMSRAIN-PMACEKPBSA-N 1 3 364.530 2.008 20 0 FEADHO C(N1CC[C@]2(C1)CCCOC2)C1(C[N@H+]2CC[C@]3(C2)CCCOC3)COC1 ZINC000375306031 558006850 /nfs/dbraw/zinc/00/68/50/558006850.db2.gz YQLLLVIOMSRAIN-PMACEKPBSA-N 1 3 364.530 2.008 20 0 FEADHO C[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccc(OCCN(C)C)cc1 ZINC000375844279 558088157 /nfs/dbraw/zinc/08/81/57/558088157.db2.gz COSXJFXTHMNAPI-AEFFLSMTSA-N 1 3 357.502 2.290 20 0 FEADHO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376054495 558120243 /nfs/dbraw/zinc/12/02/43/558120243.db2.gz HMQGPLBVCWOJNP-UUXHPUJUSA-N 1 3 371.529 2.199 20 0 FEADHO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376054495 558120245 /nfs/dbraw/zinc/12/02/45/558120245.db2.gz HMQGPLBVCWOJNP-UUXHPUJUSA-N 1 3 371.529 2.199 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000376094146 558126380 /nfs/dbraw/zinc/12/63/80/558126380.db2.gz JLTGBNREIGKGFO-QZTJIDSGSA-N 1 3 366.550 2.003 20 0 FEADHO COCC(C)(C)CCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000376344087 558160673 /nfs/dbraw/zinc/16/06/73/558160673.db2.gz NUFRLHHJCWERAY-UHFFFAOYSA-N 1 3 368.566 2.297 20 0 FEADHO CO[C@]1(C)CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000376565692 558191302 /nfs/dbraw/zinc/19/13/02/558191302.db2.gz JLUUEZYOEGFNTD-HXUWFJFHSA-N 1 3 366.550 2.146 20 0 FEADHO COc1cccc([C@H](CNC(=O)N2CC[NH+]3CCC2CC3)N2CCCC2)c1 ZINC000376797394 558222474 /nfs/dbraw/zinc/22/24/74/558222474.db2.gz FBCUQTOLYMXMQF-FQEVSTJZSA-N 1 3 372.513 2.322 20 0 FEADHO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522059904 562190710 /nfs/dbraw/zinc/19/07/10/562190710.db2.gz CBCUPFWDOZMATI-QHAWAJNXSA-N 1 3 364.493 2.165 20 0 FEADHO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000377635073 558382423 /nfs/dbraw/zinc/38/24/23/558382423.db2.gz ZUNHFWCOMWVFCX-APWZRJJASA-N 1 3 371.591 2.481 20 0 FEADHO CN1CCN(C2(CNC(=O)C3([NH3+])CCCCC3)CCCCCC2)CC1 ZINC000378201870 558501499 /nfs/dbraw/zinc/50/14/99/558501499.db2.gz KVDMQCTVNQURHT-UHFFFAOYSA-N 1 3 350.551 2.105 20 0 FEADHO CC(C)[C@@H]1C[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000378387145 558545503 /nfs/dbraw/zinc/54/55/03/558545503.db2.gz XNAQXBHMKUDRJV-HKUYNNGSSA-N 1 3 366.550 2.048 20 0 FEADHO NC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000378561650 558583382 /nfs/dbraw/zinc/58/33/82/558583382.db2.gz CYFGWQLBWCZQKR-YSIASYRMSA-N 1 3 356.514 2.420 20 0 FEADHO [NH3+]CC[C@@H]1CCCN(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000387399977 558607579 /nfs/dbraw/zinc/60/75/79/558607579.db2.gz JOFHNXHRJXQXJV-LBPRGKRZSA-N 1 3 365.275 2.018 20 0 FEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000524516608 562229753 /nfs/dbraw/zinc/22/97/53/562229753.db2.gz BFLOJJGKUBZTJN-KSZLIROESA-N 1 3 368.566 2.105 20 0 FEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000524516608 562229754 /nfs/dbraw/zinc/22/97/54/562229754.db2.gz BFLOJJGKUBZTJN-KSZLIROESA-N 1 3 368.566 2.105 20 0 FEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000524786531 562234968 /nfs/dbraw/zinc/23/49/68/562234968.db2.gz BMADPAXDQHXFIT-KRWDZBQOSA-N 1 3 358.530 2.115 20 0 FEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000524786531 562234969 /nfs/dbraw/zinc/23/49/69/562234969.db2.gz BMADPAXDQHXFIT-KRWDZBQOSA-N 1 3 358.530 2.115 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)ccc1CN(C)C ZINC000411129876 558841891 /nfs/dbraw/zinc/84/18/91/558841891.db2.gz CKRVRTSTHSSSRG-UHFFFAOYSA-N 1 3 374.529 2.233 20 0 FEADHO Cc1cc(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)ccc1C[NH+](C)C ZINC000411169323 558847768 /nfs/dbraw/zinc/84/77/68/558847768.db2.gz CXUICQSCKZWKFW-LJQANCHMSA-N 1 3 372.513 2.082 20 0 FEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411544591 558914134 /nfs/dbraw/zinc/91/41/34/558914134.db2.gz OGJVXMSOVRIVIC-INIZCTEOSA-N 1 3 362.518 2.232 20 0 FEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411544591 558914137 /nfs/dbraw/zinc/91/41/37/558914137.db2.gz OGJVXMSOVRIVIC-INIZCTEOSA-N 1 3 362.518 2.232 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000411809926 558967805 /nfs/dbraw/zinc/96/78/05/558967805.db2.gz UYVCRERSMJYHSE-RBUKOAKNSA-N 1 3 359.514 2.423 20 0 FEADHO CN1CCC(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)(N2CCOCC2)CC1 ZINC000414187237 559152251 /nfs/dbraw/zinc/15/22/51/559152251.db2.gz IETZCFWXZHUAFA-LJQANCHMSA-N 1 3 362.493 2.058 20 0 FEADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000414191446 559152364 /nfs/dbraw/zinc/15/23/64/559152364.db2.gz SMMAZFZGMDGJSB-HOTGVXAUSA-N 1 3 353.532 2.319 20 0 FEADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000414191446 559152367 /nfs/dbraw/zinc/15/23/67/559152367.db2.gz SMMAZFZGMDGJSB-HOTGVXAUSA-N 1 3 353.532 2.319 20 0 FEADHO CC[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@H]1CCOC1 ZINC000414336486 559157095 /nfs/dbraw/zinc/15/70/95/559157095.db2.gz ZKWXFCJCUZFAAA-PMACEKPBSA-N 1 3 359.514 2.289 20 0 FEADHO CC[N@H+](Cc1cccc(Br)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414668695 559178469 /nfs/dbraw/zinc/17/84/69/559178469.db2.gz APRAWESAYDHORL-OAHLLOKOSA-N 1 3 368.319 2.468 20 0 FEADHO CC[N@@H+](Cc1cccc(Br)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414668695 559178468 /nfs/dbraw/zinc/17/84/68/559178468.db2.gz APRAWESAYDHORL-OAHLLOKOSA-N 1 3 368.319 2.468 20 0 FEADHO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414673170 559178785 /nfs/dbraw/zinc/17/87/85/559178785.db2.gz IMNPQNOGOFEXIQ-CQSZACIVSA-N 1 3 359.392 2.214 20 0 FEADHO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414673170 559178786 /nfs/dbraw/zinc/17/87/86/559178786.db2.gz IMNPQNOGOFEXIQ-CQSZACIVSA-N 1 3 359.392 2.214 20 0 FEADHO COc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000414684957 559179460 /nfs/dbraw/zinc/17/94/60/559179460.db2.gz XQIOCZQCQDGEHU-NVXWUHKLSA-N 1 3 361.486 2.038 20 0 FEADHO COc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000414684957 559179461 /nfs/dbraw/zinc/17/94/61/559179461.db2.gz XQIOCZQCQDGEHU-NVXWUHKLSA-N 1 3 361.486 2.038 20 0 FEADHO CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000414694421 559180188 /nfs/dbraw/zinc/18/01/88/559180188.db2.gz SSMRRFLCZVCMTM-SVFBPWRDSA-N 1 3 372.557 2.341 20 0 FEADHO CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000414694421 559180190 /nfs/dbraw/zinc/18/01/90/559180190.db2.gz SSMRRFLCZVCMTM-SVFBPWRDSA-N 1 3 372.557 2.341 20 0 FEADHO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414739262 559183575 /nfs/dbraw/zinc/18/35/75/559183575.db2.gz CAYTZZFFRGOKJP-AWEZNQCLSA-N 1 3 359.392 2.214 20 0 FEADHO C[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414739262 559183577 /nfs/dbraw/zinc/18/35/77/559183577.db2.gz CAYTZZFFRGOKJP-AWEZNQCLSA-N 1 3 359.392 2.214 20 0 FEADHO Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCCCN1CC[NH2+]CC1 ZINC000414777021 559187019 /nfs/dbraw/zinc/18/70/19/559187019.db2.gz FXFGMLDRJYMSNG-UHFFFAOYSA-N 1 3 363.456 2.152 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)cc1 ZINC000414896863 559193838 /nfs/dbraw/zinc/19/38/38/559193838.db2.gz AMGPMASPOHYMES-KBXCAEBGSA-N 1 3 358.486 2.026 20 0 FEADHO Cn1cc(-c2ccc(CNC[C@H](N3CC[NH2+]CC3)C(F)(F)F)s2)cn1 ZINC000414976369 559198512 /nfs/dbraw/zinc/19/85/12/559198512.db2.gz PRNCMZUYNRWSIT-HNNXBMFYSA-N 1 3 373.448 2.074 20 0 FEADHO COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000414986737 559199041 /nfs/dbraw/zinc/19/90/41/559199041.db2.gz JLGGNPWDLFBSBJ-QAPCUYQASA-N 1 3 351.878 2.085 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC(NC[C@H]([NH3+])CC(C)C)CC2)cc1 ZINC000415089307 559204639 /nfs/dbraw/zinc/20/46/39/559204639.db2.gz WCFQJFBOMLLXOF-MRXNPFEDSA-N 1 3 367.559 2.412 20 0 FEADHO c1cncc(-c2noc([C@@]34CCC[C@@H]3CN(C[C@H]3CCC[NH2+]C3)C4)n2)c1 ZINC000415098109 559205169 /nfs/dbraw/zinc/20/51/69/559205169.db2.gz DWVJVOCBFWZVRI-XAUMDUMWSA-N 1 3 353.470 2.485 20 0 FEADHO c1cncc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](C[C@H]3CCCNC3)C4)n2)c1 ZINC000415098109 559205170 /nfs/dbraw/zinc/20/51/70/559205170.db2.gz DWVJVOCBFWZVRI-XAUMDUMWSA-N 1 3 353.470 2.485 20 0 FEADHO c1cncc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](C[C@H]3CCCNC3)C4)n2)c1 ZINC000415098109 559205171 /nfs/dbraw/zinc/20/51/71/559205171.db2.gz DWVJVOCBFWZVRI-XAUMDUMWSA-N 1 3 353.470 2.485 20 0 FEADHO C[C@@H](Cc1ccccc1Br)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415125694 559206699 /nfs/dbraw/zinc/20/66/99/559206699.db2.gz SQBQTDMAESYMKY-KBPBESRZSA-N 1 3 368.319 2.167 20 0 FEADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000415162078 559210636 /nfs/dbraw/zinc/21/06/36/559210636.db2.gz VVSBGJDKLXMVNH-HNAYVOBHSA-N 1 3 368.481 2.152 20 0 FEADHO CCCN(C(=O)C(=O)Nc1cccc(CN(CC)CC)c1)[C@H]1CC[NH2+]C1 ZINC000415409613 559232616 /nfs/dbraw/zinc/23/26/16/559232616.db2.gz TZPIIRPVEKCIIR-SFHVURJKSA-N 1 3 360.502 2.067 20 0 FEADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)Nc2ccccc2CCN(C)C)cc1 ZINC000415478384 559241743 /nfs/dbraw/zinc/24/17/43/559241743.db2.gz BBYRWUXHHYARQP-HNNXBMFYSA-N 1 3 368.481 2.065 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2F)CCNC3)CC1 ZINC000415949420 559283941 /nfs/dbraw/zinc/28/39/41/559283941.db2.gz BQQKUVZGJIUYGF-UHFFFAOYSA-N 1 3 364.465 2.094 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000415972680 559286172 /nfs/dbraw/zinc/28/61/72/559286172.db2.gz IMWDOFSBANUOGA-UHFFFAOYSA-N 1 3 356.470 2.450 20 0 FEADHO COCC[N@H+](C)CCCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415976975 559286504 /nfs/dbraw/zinc/28/65/04/559286504.db2.gz WCEFRMOOTAWRCU-UHFFFAOYSA-N 1 3 362.396 2.254 20 0 FEADHO COCC[N@@H+](C)CCCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415976975 559286506 /nfs/dbraw/zinc/28/65/06/559286506.db2.gz WCEFRMOOTAWRCU-UHFFFAOYSA-N 1 3 362.396 2.254 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(F)(F)F ZINC000415989742 559287286 /nfs/dbraw/zinc/28/72/86/559287286.db2.gz BEYAQBAPZOUQQP-HUUCEWRRSA-N 1 3 358.408 2.402 20 0 FEADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416010864 559289067 /nfs/dbraw/zinc/28/90/67/559289067.db2.gz QZBCKCISKWBRSO-OAHLLOKOSA-N 1 3 373.423 2.219 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)C1CC1 ZINC000416036141 559290101 /nfs/dbraw/zinc/29/01/01/559290101.db2.gz XNPNAWGWHPFDJE-HZPDHXFCSA-N 1 3 372.435 2.476 20 0 FEADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000416836948 559334532 /nfs/dbraw/zinc/33/45/32/559334532.db2.gz HBRHXKFNRDXSKR-UXHICEINSA-N 1 3 356.514 2.292 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NCC[C@H]2CC[NH2+]C2)N2CCCC2)c1 ZINC000416855401 559335455 /nfs/dbraw/zinc/33/54/55/559335455.db2.gz PZDNWNZCIRXNMC-VQIMIIECSA-N 1 3 360.502 2.131 20 0 FEADHO CC[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000417002138 559343145 /nfs/dbraw/zinc/34/31/45/559343145.db2.gz AFMKSTTZBPPHJC-VAMGGRTRSA-N 1 3 356.514 2.074 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCc2ccccc2C1 ZINC000417014233 559343803 /nfs/dbraw/zinc/34/38/03/559343803.db2.gz KVNCRWGAEDNNCG-YSIASYRMSA-N 1 3 356.514 2.074 20 0 FEADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417088388 559347216 /nfs/dbraw/zinc/34/72/16/559347216.db2.gz KJLSQCCULPKDCA-TZIWHRDSSA-N 1 3 356.514 2.436 20 0 FEADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417309815 559357038 /nfs/dbraw/zinc/35/70/38/559357038.db2.gz KHEAWDKBNLGCKQ-AQNXPRMDSA-N 1 3 356.514 2.292 20 0 FEADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)N2CCCC2)cc1 ZINC000417352843 559358909 /nfs/dbraw/zinc/35/89/09/559358909.db2.gz HHHYWEVDPYLDCP-ZCNNSNEGSA-N 1 3 356.514 2.383 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N(CCC[NH3+])CC2CCCC2)CC1 ZINC000417550669 559366680 /nfs/dbraw/zinc/36/66/80/559366680.db2.gz WNLBBGLUPMPCIF-UHFFFAOYSA-N 1 3 368.566 2.426 20 0 FEADHO COC[C@@]1(CNC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CCC[NH2+]1 ZINC000417622318 559369429 /nfs/dbraw/zinc/36/94/29/559369429.db2.gz IFQMUTISTZJRJW-UZLBHIALSA-N 1 3 362.518 2.184 20 0 FEADHO C[C@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)[C@@H](C)CN1 ZINC000417622905 559369433 /nfs/dbraw/zinc/36/94/33/559369433.db2.gz HXXFQDRASWIECV-HOTGVXAUSA-N 1 3 354.564 2.130 20 0 FEADHO CN(C(=O)NCC1(N2CCSCC2)CCCCC1)C1CC[NH2+]CC1 ZINC000417627457 559369605 /nfs/dbraw/zinc/36/96/05/559369605.db2.gz PNAAWYAQGGEKPX-UHFFFAOYSA-N 1 3 354.564 2.132 20 0 FEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417674242 559371652 /nfs/dbraw/zinc/37/16/52/559371652.db2.gz YBDRCLDMZUYVGT-HSALFYBXSA-N 1 3 356.514 2.292 20 0 FEADHO COc1cc(NC(=O)N[C@@H]2CCCN(C)[C@@H]2C)ccc1OCC[NH+](C)C ZINC000417689036 559372422 /nfs/dbraw/zinc/37/24/22/559372422.db2.gz SOSSERGOUAPJDH-GDBMZVCRSA-N 1 3 364.490 2.240 20 0 FEADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000417692015 559372798 /nfs/dbraw/zinc/37/27/98/559372798.db2.gz XTTPIXMRMIJBGD-APWZRJJASA-N 1 3 358.530 2.368 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000417829813 559378204 /nfs/dbraw/zinc/37/82/04/559378204.db2.gz GJEQIOFDFOFUEF-QFUCXCTJSA-N 1 3 356.514 2.435 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417830106 559378253 /nfs/dbraw/zinc/37/82/53/559378253.db2.gz RNDJFXFCYRYFHD-BTHPGYMESA-N 1 3 356.514 2.290 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417829426 559378278 /nfs/dbraw/zinc/37/82/78/559378278.db2.gz RBCNLKCXVDOTTR-QFUCXCTJSA-N 1 3 356.514 2.292 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000417831618 559378328 /nfs/dbraw/zinc/37/83/28/559378328.db2.gz HYUJUACJACNFLF-RSPOEFSDSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417838311 559378676 /nfs/dbraw/zinc/37/86/76/559378676.db2.gz YCFNMKWVUPUAKK-OJAHFUOMSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)CN1Cc1ccccc1 ZINC000417887321 559380603 /nfs/dbraw/zinc/38/06/03/559380603.db2.gz ZVXAJSMRDCWOTO-MJGOQNOKSA-N 1 3 356.514 2.435 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)CN1Cc1ccccc1 ZINC000417887312 559380686 /nfs/dbraw/zinc/38/06/86/559380686.db2.gz ZVXAJSMRDCWOTO-HKUYNNGSSA-N 1 3 356.514 2.435 20 0 FEADHO C[C@]1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCN1Cc1ccccc1 ZINC000418042152 559387719 /nfs/dbraw/zinc/38/77/19/559387719.db2.gz LGZKDIVWLHOCFD-SVFBPWRDSA-N 1 3 356.514 2.292 20 0 FEADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000418177989 559393109 /nfs/dbraw/zinc/39/31/09/559393109.db2.gz YFRSEXBCQYCZPS-SJLPKXTDSA-N 1 3 374.529 2.428 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)N(C)C)cc1 ZINC000418179716 559393176 /nfs/dbraw/zinc/39/31/76/559393176.db2.gz ARYMXOREWASDJL-MDZRGWNJSA-N 1 3 362.518 2.468 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2C[C@@H](C)NC[C@H]2C)[NH+](C)C)cc1 ZINC000418179716 559393177 /nfs/dbraw/zinc/39/31/77/559393177.db2.gz ARYMXOREWASDJL-MDZRGWNJSA-N 1 3 362.518 2.468 20 0 FEADHO C[C@H](NC(=O)N1CCC(OCCC[NH3+])CC1)[C@H](c1ccccc1)N(C)C ZINC000418191596 559393448 /nfs/dbraw/zinc/39/34/48/559393448.db2.gz XLKUZZOGEGLJAA-QFBILLFUSA-N 1 3 362.518 2.217 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NCC[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418227546 559394583 /nfs/dbraw/zinc/39/45/83/559394583.db2.gz CSPTUNCEYGZZSW-YOEHRIQHSA-N 1 3 350.532 2.310 20 0 FEADHO CO[C@@H]1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)[C@@H](C[NH3+])C1 ZINC000418241583 559395224 /nfs/dbraw/zinc/39/52/24/559395224.db2.gz KGVPVHMDSSTIEJ-RTBURBONSA-N 1 3 374.529 2.189 20 0 FEADHO C[NH+](C)CCCC1CCN(C(=O)NCCCNCc2cccnc2)CC1 ZINC000418330167 559397668 /nfs/dbraw/zinc/39/76/68/559397668.db2.gz PRHQNPMEBFSQRY-UHFFFAOYSA-N 1 3 361.534 2.325 20 0 FEADHO O=C(NCC[C@H]1CC[NH2+]C1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418339637 559398171 /nfs/dbraw/zinc/39/81/71/559398171.db2.gz MOJCFJHDOWDTEU-NQIIRXRSSA-N 1 3 356.514 2.294 20 0 FEADHO O=C(N[C@H]1CCC[NH2+]C1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418372965 559399412 /nfs/dbraw/zinc/39/94/12/559399412.db2.gz BDEBHDBHGHQPHF-PZJWPPBQSA-N 1 3 356.514 2.436 20 0 FEADHO CC(C)C[C@H](C[NH3+])NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000418422632 559400906 /nfs/dbraw/zinc/40/09/06/559400906.db2.gz BATXVTULRMFOHN-GOSISDBHSA-N 1 3 361.534 2.103 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000418429557 559401265 /nfs/dbraw/zinc/40/12/65/559401265.db2.gz QLCIFNGVJDCVIW-HKUYNNGSSA-N 1 3 362.518 2.286 20 0 FEADHO O=C(NCc1ccc2c(c1)CNC2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000418548128 559405631 /nfs/dbraw/zinc/40/56/31/559405631.db2.gz CMMRXUHJLWPLTJ-PXNSSMCTSA-N 1 3 354.498 2.448 20 0 FEADHO O=C(NCc1ccc2c(c1)CNC2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000418548128 559405632 /nfs/dbraw/zinc/40/56/32/559405632.db2.gz CMMRXUHJLWPLTJ-PXNSSMCTSA-N 1 3 354.498 2.448 20 0 FEADHO CC(C)N(CCN(C)C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418556473 559406122 /nfs/dbraw/zinc/40/61/22/559406122.db2.gz AMGLXKPTMJCSKZ-QAPCUYQASA-N 1 3 368.472 2.392 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)C[C@@H](C)O1 ZINC000418612106 559407854 /nfs/dbraw/zinc/40/78/54/559407854.db2.gz FBDJPEXFPZYSRF-GPMSIDNRSA-N 1 3 366.550 2.035 20 0 FEADHO COC[C@]1(CNC(=O)N(C)C2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000418633348 559408678 /nfs/dbraw/zinc/40/86/78/559408678.db2.gz IBPRLLQXMAMXLH-OAQYLSRUSA-N 1 3 374.529 2.061 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418642880 559409156 /nfs/dbraw/zinc/40/91/56/559409156.db2.gz OUGLPIJJKAHUPX-FQEVSTJZSA-N 1 3 371.529 2.387 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418670744 559410665 /nfs/dbraw/zinc/41/06/65/559410665.db2.gz KSRFZDRTRIXFJF-FXAWDEMLSA-N 1 3 374.529 2.361 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)[C@H]2C1 ZINC000418729092 559412802 /nfs/dbraw/zinc/41/28/02/559412802.db2.gz NTPFGKDDRJDEOG-BWPNAZKDSA-N 1 3 374.504 2.254 20 0 FEADHO CCc1ccccc1NC(=O)CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420303839 559479394 /nfs/dbraw/zinc/47/93/94/559479394.db2.gz NQQKZDKXPAQWIY-SFHVURJKSA-N 1 3 358.530 2.195 20 0 FEADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](Cn3nc(C)nc3C)C2)cc1 ZINC000420309092 559479654 /nfs/dbraw/zinc/47/96/54/559479654.db2.gz DKORVPWQMOZFJJ-HKUYNNGSSA-N 1 3 357.502 2.358 20 0 FEADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)cc1 ZINC000420309092 559479655 /nfs/dbraw/zinc/47/96/55/559479655.db2.gz DKORVPWQMOZFJJ-HKUYNNGSSA-N 1 3 357.502 2.358 20 0 FEADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)cc1 ZINC000420309092 559479656 /nfs/dbraw/zinc/47/96/56/559479656.db2.gz DKORVPWQMOZFJJ-HKUYNNGSSA-N 1 3 357.502 2.358 20 0 FEADHO CN(CCCOc1ccccc1)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321949 559480408 /nfs/dbraw/zinc/48/04/08/559480408.db2.gz DHUYAEYDAMTYLD-RTBURBONSA-N 1 3 359.514 2.235 20 0 FEADHO CN(CCCOc1cccc(S(C)(=O)=O)c1)CC[C@H]1CCC[NH2+]C1 ZINC000420325763 559480566 /nfs/dbraw/zinc/48/05/66/559480566.db2.gz WUANBFTVQIIUKK-MRXNPFEDSA-N 1 3 354.516 2.181 20 0 FEADHO Cc1cccc(C)c1OCCNC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330949 559480972 /nfs/dbraw/zinc/48/09/72/559480972.db2.gz QIMZDFQCLXPMBI-OALUTQOASA-N 1 3 359.514 2.120 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420777193 559503808 /nfs/dbraw/zinc/50/38/08/559503808.db2.gz GVHXOTGJNHLWHC-UHFFFAOYSA-N 1 3 362.518 2.299 20 0 FEADHO CCCCCNC(=O)[C@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420978152 559516617 /nfs/dbraw/zinc/51/66/17/559516617.db2.gz IZXKOIPVRSMCJT-SFHVURJKSA-N 1 3 352.567 2.173 20 0 FEADHO CCCCCNC(=O)[C@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420978152 559516618 /nfs/dbraw/zinc/51/66/18/559516618.db2.gz IZXKOIPVRSMCJT-SFHVURJKSA-N 1 3 352.567 2.173 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CCCOCC(F)(F)F)CC2)CC1 ZINC000420983311 559517194 /nfs/dbraw/zinc/51/71/94/559517194.db2.gz QLJLVWIZPLOCLA-UHFFFAOYSA-N 1 3 351.457 2.447 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CCCOCC(F)(F)F)CC2)CC1 ZINC000420983311 559517195 /nfs/dbraw/zinc/51/71/95/559517195.db2.gz QLJLVWIZPLOCLA-UHFFFAOYSA-N 1 3 351.457 2.447 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N(C)Cc3ccccc3)CC2)CC1 ZINC000420986085 559517485 /nfs/dbraw/zinc/51/74/85/559517485.db2.gz XQOUBFPTBOGOQQ-UHFFFAOYSA-N 1 3 372.557 2.137 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)N(C)Cc3ccccc3)CC2)CC1 ZINC000420986085 559517486 /nfs/dbraw/zinc/51/74/86/559517486.db2.gz XQOUBFPTBOGOQQ-UHFFFAOYSA-N 1 3 372.557 2.137 20 0 FEADHO CN1CCN(Cc2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422709556 559603689 /nfs/dbraw/zinc/60/36/89/559603689.db2.gz KQQGRDOIYAKRLT-FDFHNCONSA-N 1 3 356.558 2.444 20 0 FEADHO N[C@@H]1C[C@H]([NH2+]CCCCN2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000422719435 559604290 /nfs/dbraw/zinc/60/42/90/559604290.db2.gz REGRTHOBQGPTHS-UXHICEINSA-N 1 3 366.513 2.113 20 0 FEADHO [NH3+][C@@H]1C[C@H](NCCCCN2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000422719435 559604291 /nfs/dbraw/zinc/60/42/91/559604291.db2.gz REGRTHOBQGPTHS-UXHICEINSA-N 1 3 366.513 2.113 20 0 FEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000422909628 559610817 /nfs/dbraw/zinc/61/08/17/559610817.db2.gz GMFFHIFPWVRNHG-XLIONFOSSA-N 1 3 360.546 2.378 20 0 FEADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1Br ZINC000423077085 559617632 /nfs/dbraw/zinc/61/76/32/559617632.db2.gz SJIDBXRFFAZGFW-NTQSIJHJSA-N 1 3 353.304 2.473 20 0 FEADHO Clc1cccc2c1CCN(CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000423064704 559617091 /nfs/dbraw/zinc/61/70/91/559617091.db2.gz ZODHKIAXYOQUHS-YSIASYRMSA-N 1 3 363.933 2.445 20 0 FEADHO c1ccc(CN2CCCO[C@H](CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423070996 559617302 /nfs/dbraw/zinc/61/73/02/559617302.db2.gz DTXSRVOXQREBGY-CIAFKFPVSA-N 1 3 373.541 2.024 20 0 FEADHO OC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Cc1cc(F)c(F)c(F)c1 ZINC000423072115 559617333 /nfs/dbraw/zinc/61/73/33/559617333.db2.gz GTJKTJHPPBZXEC-MJSCVDMRSA-N 1 3 372.431 2.002 20 0 FEADHO CCOC1CC(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)(N2CCOCC2)C1 ZINC000423073595 559617507 /nfs/dbraw/zinc/61/75/07/559617507.db2.gz JEWHLOPLPZMNGY-SONFCDGGSA-N 1 3 365.562 2.157 20 0 FEADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)CC[NH2+]CC1 ZINC000423082221 559617997 /nfs/dbraw/zinc/61/79/97/559617997.db2.gz WPWHHDAZBWBLSC-RDBSUJKOSA-N 1 3 351.495 2.290 20 0 FEADHO CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2nnc([C@H](C)CC)[n-]2)CC[NH2+]CC1 ZINC000423082221 559617998 /nfs/dbraw/zinc/61/79/98/559617998.db2.gz WPWHHDAZBWBLSC-RDBSUJKOSA-N 1 3 351.495 2.290 20 0 FEADHO CCOC(=O)C1([C@@H](C)N[C@H](CN(C)C)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423102520 559619172 /nfs/dbraw/zinc/61/91/72/559619172.db2.gz FKNHXBIHUDZWAH-CRAIPNDOSA-N 1 3 365.493 2.339 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](Nc2ccc(N3CCNCC3)cn2)[C@@H](C)C1 ZINC000423230766 559623339 /nfs/dbraw/zinc/62/33/39/559623339.db2.gz JYBKIQNMWUATJM-HKUYNNGSSA-N 1 3 361.534 2.040 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](Nc2ccc(N3CCNCC3)cn2)[C@@H](C)C1 ZINC000423230766 559623340 /nfs/dbraw/zinc/62/33/40/559623340.db2.gz JYBKIQNMWUATJM-HKUYNNGSSA-N 1 3 361.534 2.040 20 0 FEADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cccc(N2CCCS2(=O)=O)c1 ZINC000423276196 559624459 /nfs/dbraw/zinc/62/44/59/559624459.db2.gz MPQKADKXRCBJGY-ZVZYQTTQSA-N 1 3 351.516 2.395 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](C)CCN2)cc1 ZINC000423300156 559624732 /nfs/dbraw/zinc/62/47/32/559624732.db2.gz QZCPSXNRHPKPBN-YJBOKZPZSA-N 1 3 360.502 2.085 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423347562 559626204 /nfs/dbraw/zinc/62/62/04/559626204.db2.gz QPMVECYGLBCNGD-OAHLLOKOSA-N 1 3 351.516 2.287 20 0 FEADHO CC(C)(C(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@H](N)c1ccccc1 ZINC000423369936 559626920 /nfs/dbraw/zinc/62/69/20/559626920.db2.gz CSXJCOVIDOAKFE-GOSISDBHSA-N 1 3 359.514 2.474 20 0 FEADHO COc1ccc2c(c1)[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423377126 559627128 /nfs/dbraw/zinc/62/71/28/559627128.db2.gz DZCOSYZESBUFKV-DLBZAZTESA-N 1 3 357.420 2.498 20 0 FEADHO COC[C@]1(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]C1 ZINC000423405706 559628070 /nfs/dbraw/zinc/62/80/70/559628070.db2.gz ZJRLNRBNRWZSJO-DSKINZAPSA-N 1 3 359.514 2.124 20 0 FEADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)COC1CC[NH2+]CC1 ZINC000423427133 559628900 /nfs/dbraw/zinc/62/89/00/559628900.db2.gz IFCRHYPEBNGBKS-LJQANCHMSA-N 1 3 359.514 2.126 20 0 FEADHO CN(C)CCN(Cc1ccccc1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423737402 559637652 /nfs/dbraw/zinc/63/76/52/559637652.db2.gz TZYRHCROMAOEPO-IBGZPJMESA-N 1 3 355.486 2.012 20 0 FEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000423750153 559638250 /nfs/dbraw/zinc/63/82/50/559638250.db2.gz SRLRQNIHIKBPSO-MRXNPFEDSA-N 1 3 355.935 2.325 20 0 FEADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000423760379 559638519 /nfs/dbraw/zinc/63/85/19/559638519.db2.gz NCTDNCBXDUTPBL-MBOZVWFJSA-N 1 3 351.535 2.242 20 0 FEADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000423760379 559638520 /nfs/dbraw/zinc/63/85/20/559638520.db2.gz NCTDNCBXDUTPBL-MBOZVWFJSA-N 1 3 351.535 2.242 20 0 FEADHO C[C@@H]1C[C@@H](C)N(C(=O)CCN2CCN(c3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000424080385 559654012 /nfs/dbraw/zinc/65/40/12/559654012.db2.gz VLUHTQQDSHIVQV-GUDVDZBRSA-N 1 3 358.530 2.031 20 0 FEADHO C[C@@H]1CC2(CN1CC(=O)NCc1ccc(OC(F)F)cc1)CC[NH2+]CC2 ZINC000424286671 559660689 /nfs/dbraw/zinc/66/06/89/559660689.db2.gz HQTYZYRFAYHYQY-CQSZACIVSA-N 1 3 367.440 2.368 20 0 FEADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424443059 559665191 /nfs/dbraw/zinc/66/51/91/559665191.db2.gz BCATURMLQPWEON-SFHVURJKSA-N 1 3 360.502 2.163 20 0 FEADHO COC(=O)[C@H](CCN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000425462339 559703385 /nfs/dbraw/zinc/70/33/85/559703385.db2.gz UIOIUHAXXVCNAV-GHTZIAJQSA-N 1 3 373.541 2.434 20 0 FEADHO C[NH+](C)C1(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCC1 ZINC000425515996 559707245 /nfs/dbraw/zinc/70/72/45/559707245.db2.gz YGHGGRLUTANPMG-RBUKOAKNSA-N 1 3 356.514 2.387 20 0 FEADHO CCc1nc(C)c(CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)o1 ZINC000426026932 559727993 /nfs/dbraw/zinc/72/79/93/559727993.db2.gz DQJOTSBRGRWEBK-MRXNPFEDSA-N 1 3 365.522 2.103 20 0 FEADHO CCc1nc(C)c(CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)o1 ZINC000426026932 559727994 /nfs/dbraw/zinc/72/79/94/559727994.db2.gz DQJOTSBRGRWEBK-MRXNPFEDSA-N 1 3 365.522 2.103 20 0 FEADHO CN(CCN1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000427320589 559753280 /nfs/dbraw/zinc/75/32/80/559753280.db2.gz MHHOECNPCMVFEM-HXUWFJFHSA-N 1 3 372.557 2.042 20 0 FEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000428505475 559776968 /nfs/dbraw/zinc/77/69/68/559776968.db2.gz YHDHTFHTPYYRDQ-IBGZPJMESA-N 1 3 360.546 2.435 20 0 FEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000428505475 559776969 /nfs/dbraw/zinc/77/69/69/559776969.db2.gz YHDHTFHTPYYRDQ-IBGZPJMESA-N 1 3 360.546 2.435 20 0 FEADHO CCC1(CC)[C@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)[C@@H](C)[C@@H]1OC ZINC000429322218 559796059 /nfs/dbraw/zinc/79/60/59/559796059.db2.gz JDHJLSDAPVRYBW-ZMYBRWDISA-N 1 3 351.535 2.159 20 0 FEADHO COc1cc(NC(=O)CCN[C@@](C)(C[NH3+])C(C)C)cc(OC)c1OC ZINC000430567475 559822968 /nfs/dbraw/zinc/82/29/68/559822968.db2.gz DOATVPXICVHYAO-SFHVURJKSA-N 1 3 353.463 2.004 20 0 FEADHO C[NH2+]C[C@@H]1CCCN([C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000430603430 559824302 /nfs/dbraw/zinc/82/43/02/559824302.db2.gz KCVUHPXMHUZTFQ-QUCCMNQESA-N 1 3 372.557 2.087 20 0 FEADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000430621041 559824970 /nfs/dbraw/zinc/82/49/70/559824970.db2.gz CRTXEAJKWCADFM-GFCCVEGCSA-N 1 3 360.285 2.159 20 0 FEADHO COCC[C@]1(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CC[NH2+]C1 ZINC000430731613 559827381 /nfs/dbraw/zinc/82/73/81/559827381.db2.gz XEBVOECRFLPBOC-DYESRHJHSA-N 1 3 359.514 2.344 20 0 FEADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000431023197 559832604 /nfs/dbraw/zinc/83/26/04/559832604.db2.gz GWWWHNGKLRRJMU-IRLDBZIGSA-N 1 3 373.541 2.373 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC(F)(F)C1 ZINC000431082338 559833588 /nfs/dbraw/zinc/83/35/88/559833588.db2.gz ULYDAUMNKVOVIR-JKSUJKDBSA-N 1 3 360.493 2.479 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC(F)(F)C1 ZINC000431082338 559833589 /nfs/dbraw/zinc/83/35/89/559833589.db2.gz ULYDAUMNKVOVIR-JKSUJKDBSA-N 1 3 360.493 2.479 20 0 FEADHO CC[N@H+](CCNC(=O)Nc1cc(C)nn1C1CCN(C)CC1)C(C)C ZINC000431150064 559835040 /nfs/dbraw/zinc/83/50/40/559835040.db2.gz MRPBZCYXHBTASY-UHFFFAOYSA-N 1 3 350.511 2.310 20 0 FEADHO CC[N@@H+](CCNC(=O)Nc1cc(C)nn1C1CCN(C)CC1)C(C)C ZINC000431150064 559835041 /nfs/dbraw/zinc/83/50/41/559835041.db2.gz MRPBZCYXHBTASY-UHFFFAOYSA-N 1 3 350.511 2.310 20 0 FEADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(CCOC)CC1 ZINC000431792507 559846098 /nfs/dbraw/zinc/84/60/98/559846098.db2.gz CQRNZQYRKMPCQP-MJGOQNOKSA-N 1 3 368.566 2.297 20 0 FEADHO [NH3+]C1CCN(CCCC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000433135255 559872894 /nfs/dbraw/zinc/87/28/94/559872894.db2.gz INQPPDVCNVGDKZ-HXUWFJFHSA-N 1 3 358.530 2.143 20 0 FEADHO Cn1cc(CN2CCC(C[NH3+])CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000435383475 559921908 /nfs/dbraw/zinc/92/19/08/559921908.db2.gz GYZSGQWGNBXIPK-UHFFFAOYSA-N 1 3 356.470 2.419 20 0 FEADHO CN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435756265 559929659 /nfs/dbraw/zinc/92/96/59/559929659.db2.gz PKVRDYPRZYRXQV-IBGZPJMESA-N 1 3 358.530 2.189 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000442339584 560049502 /nfs/dbraw/zinc/04/95/02/560049502.db2.gz GDAABOUVJBAARX-INIZCTEOSA-N 1 3 372.513 2.234 20 0 FEADHO COc1ccc(COC[C@H](O)CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000555889431 674380073 /nfs/dbraw/zinc/38/00/73/674380073.db2.gz TVWARLSCGKHAMS-QGZVFWFLSA-N 1 3 350.503 2.472 20 0 FEADHO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000443057848 560068443 /nfs/dbraw/zinc/06/84/43/560068443.db2.gz IJDDTCDXWNQUGW-HRCADAONSA-N 1 3 363.502 2.330 20 0 FEADHO CN(CCCOc1ccc(F)cc1)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443067545 560069044 /nfs/dbraw/zinc/06/90/44/560069044.db2.gz GXRGBOCZXKOOFR-INIZCTEOSA-N 1 3 351.466 2.114 20 0 FEADHO C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N(C)CC1([NH+](C)C)CCC1 ZINC000445868565 560135798 /nfs/dbraw/zinc/13/57/98/560135798.db2.gz HXBMNMRMSVBVHL-QUCCMNQESA-N 1 3 372.557 2.182 20 0 FEADHO COC(=O)c1coc([C@@H](C)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000447533804 560163997 /nfs/dbraw/zinc/16/39/97/560163997.db2.gz SPJZBJNBCFTFGU-MRXNPFEDSA-N 1 3 372.469 2.324 20 0 FEADHO CN(C)[C@]1(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCSC1 ZINC000448216196 560180613 /nfs/dbraw/zinc/18/06/13/560180613.db2.gz AKOXOKIBDZCLTC-IEZWGBDMSA-N 1 3 366.575 2.082 20 0 FEADHO CN(C)[C@]1(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCSC1 ZINC000448216196 560180614 /nfs/dbraw/zinc/18/06/14/560180614.db2.gz AKOXOKIBDZCLTC-IEZWGBDMSA-N 1 3 366.575 2.082 20 0 FEADHO C[C@@H](CN1CCN(C)CC1)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449126047 560216963 /nfs/dbraw/zinc/21/69/63/560216963.db2.gz UJZGNPARAYCRPJ-PMACEKPBSA-N 1 3 358.574 2.308 20 0 FEADHO C[C@@H](CN1CCN(C)CC1)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449126047 560216964 /nfs/dbraw/zinc/21/69/64/560216964.db2.gz UJZGNPARAYCRPJ-PMACEKPBSA-N 1 3 358.574 2.308 20 0 FEADHO CN(C)[C@@H](CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)Cc1ccccc1 ZINC000449311862 560224770 /nfs/dbraw/zinc/22/47/70/560224770.db2.gz NZGTWNCLECDHKL-IRLDBZIGSA-N 1 3 351.494 2.207 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449320721 560225001 /nfs/dbraw/zinc/22/50/01/560225001.db2.gz OYSBBTIPFKZTMN-QHCPKHFHSA-N 1 3 363.505 2.482 20 0 FEADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(C[C@@H]3CCC(C)(C)O3)C2)CC1 ZINC000451535462 560312991 /nfs/dbraw/zinc/31/29/91/560312991.db2.gz ZXHMFXDCIHSYAT-MOPGFXCFSA-N 1 3 351.535 2.210 20 0 FEADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(C[C@@H]3CCC(C)(C)O3)C2)CC1 ZINC000451535462 560312992 /nfs/dbraw/zinc/31/29/92/560312992.db2.gz ZXHMFXDCIHSYAT-MOPGFXCFSA-N 1 3 351.535 2.210 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCCCN2CCO)cc1)C(C)C ZINC000452385136 560362490 /nfs/dbraw/zinc/36/24/90/560362490.db2.gz CSPVJMHUGRNJPR-FQEVSTJZSA-N 1 3 361.530 2.494 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCCCN2CCO)cc1)C(C)C ZINC000452385136 560362491 /nfs/dbraw/zinc/36/24/91/560362491.db2.gz CSPVJMHUGRNJPR-FQEVSTJZSA-N 1 3 361.530 2.494 20 0 FEADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NCCN3CCCCCC3)ccc21 ZINC000453598773 560390439 /nfs/dbraw/zinc/39/04/39/560390439.db2.gz MHQUSWNYUGMNTI-IBGZPJMESA-N 1 3 372.513 2.166 20 0 FEADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000453662760 560394500 /nfs/dbraw/zinc/39/45/00/560394500.db2.gz DPDGPBODRPKWKV-CCKFTAQKSA-N 1 3 372.513 2.019 20 0 FEADHO CN(C)C1(CN(C)C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCC1 ZINC000453698769 560397723 /nfs/dbraw/zinc/39/77/23/560397723.db2.gz YRZAIOZXBFEBKB-GOSISDBHSA-N 1 3 372.513 2.117 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1 ZINC000454098648 560429070 /nfs/dbraw/zinc/42/90/70/560429070.db2.gz NMMQSMVWGNINRR-LJQANCHMSA-N 1 3 374.529 2.408 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000454473860 560445781 /nfs/dbraw/zinc/44/57/81/560445781.db2.gz COECZRBACOTPDM-UHFFFAOYSA-N 1 3 368.566 2.441 20 0 FEADHO CC[C@@H](C)N[C@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)c1ccco1 ZINC000455652210 560490709 /nfs/dbraw/zinc/49/07/09/560490709.db2.gz YNALBMYSYMMFHS-HUUCEWRRSA-N 1 3 362.478 2.289 20 0 FEADHO C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455854694 560497700 /nfs/dbraw/zinc/49/77/00/560497700.db2.gz NLDGVEMUHFNYKW-OXQOHEQNSA-N 1 3 373.545 2.383 20 0 FEADHO C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455854695 560497704 /nfs/dbraw/zinc/49/77/04/560497704.db2.gz NLDGVEMUHFNYKW-UZLBHIALSA-N 1 3 373.545 2.383 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)N(C)C)cc1 ZINC000458010368 560598820 /nfs/dbraw/zinc/59/88/20/560598820.db2.gz KKEBDQJQCDGNMY-DOTOQJQBSA-N 1 3 350.532 2.405 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)N(C)C)cc1 ZINC000458010368 560598821 /nfs/dbraw/zinc/59/88/21/560598821.db2.gz KKEBDQJQCDGNMY-DOTOQJQBSA-N 1 3 350.532 2.405 20 0 FEADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000458548811 560631817 /nfs/dbraw/zinc/63/18/17/560631817.db2.gz ATQZNKGLPXOAFE-IZBJGVDFSA-N 1 3 370.541 2.489 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000458591095 560634479 /nfs/dbraw/zinc/63/44/79/560634479.db2.gz XXOUSAXHHSIBGS-QUCCMNQESA-N 1 3 350.551 2.482 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000458591095 560634480 /nfs/dbraw/zinc/63/44/80/560634480.db2.gz XXOUSAXHHSIBGS-QUCCMNQESA-N 1 3 350.551 2.482 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](OC)C12CCC2 ZINC000459283853 560677366 /nfs/dbraw/zinc/67/73/66/560677366.db2.gz DLIQYZLGCSMPRI-SQNIBIBYSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](OC)C12CCC2 ZINC000459283853 560677368 /nfs/dbraw/zinc/67/73/68/560677368.db2.gz DLIQYZLGCSMPRI-SQNIBIBYSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cn(C)nc1C1CC1 ZINC000463828035 560825934 /nfs/dbraw/zinc/82/59/34/560825934.db2.gz ZMVMVAYNDSPPID-MRXNPFEDSA-N 1 3 362.522 2.177 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cn(C)nc1C1CC1 ZINC000463828035 560825935 /nfs/dbraw/zinc/82/59/35/560825935.db2.gz ZMVMVAYNDSPPID-MRXNPFEDSA-N 1 3 362.522 2.177 20 0 FEADHO C[C@H]1CCC[N@H+](CCNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000465547059 560867871 /nfs/dbraw/zinc/86/78/71/560867871.db2.gz SYDVYFGZPHRYPQ-KRWDZBQOSA-N 1 3 358.530 2.117 20 0 FEADHO C[C@H]1CCC[N@@H+](CCNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000465547059 560867872 /nfs/dbraw/zinc/86/78/72/560867872.db2.gz SYDVYFGZPHRYPQ-KRWDZBQOSA-N 1 3 358.530 2.117 20 0 FEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000465909918 560875935 /nfs/dbraw/zinc/87/59/35/560875935.db2.gz MHXXVHXLOAGJFU-QGZVFWFLSA-N 1 3 368.566 2.249 20 0 FEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000465909918 560875937 /nfs/dbraw/zinc/87/59/37/560875937.db2.gz MHXXVHXLOAGJFU-QGZVFWFLSA-N 1 3 368.566 2.249 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)Cc2ccccc2C1 ZINC000466009602 560877939 /nfs/dbraw/zinc/87/79/39/560877939.db2.gz JUGVGMHKTQZBPU-FQEVSTJZSA-N 1 3 370.541 2.355 20 0 FEADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000466021065 560878090 /nfs/dbraw/zinc/87/80/90/560878090.db2.gz KAOXCLKCPNLNRO-RBUKOAKNSA-N 1 3 356.514 2.387 20 0 FEADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000466021065 560878091 /nfs/dbraw/zinc/87/80/91/560878091.db2.gz KAOXCLKCPNLNRO-RBUKOAKNSA-N 1 3 356.514 2.387 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000466033309 560878540 /nfs/dbraw/zinc/87/85/40/560878540.db2.gz BWSTYUAIYXWYNQ-DLBZAZTESA-N 1 3 354.539 2.002 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)CCC[NH+]3CCCC3)CC2)c1 ZINC000467678661 560914841 /nfs/dbraw/zinc/91/48/41/560914841.db2.gz OHJZUOCEMWXZPR-UHFFFAOYSA-N 1 3 372.557 2.451 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNc1cccc(F)c1 ZINC000468994036 560944361 /nfs/dbraw/zinc/94/43/61/560944361.db2.gz KUEADTMJWDNGFN-SFHVURJKSA-N 1 3 350.482 2.112 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNc1cccc(F)c1 ZINC000468994036 560944362 /nfs/dbraw/zinc/94/43/62/560944362.db2.gz KUEADTMJWDNGFN-SFHVURJKSA-N 1 3 350.482 2.112 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000469859358 560966895 /nfs/dbraw/zinc/96/68/95/560966895.db2.gz OMUIOUUEFHVWHJ-APWZRJJASA-N 1 3 367.497 2.157 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000469859360 560966931 /nfs/dbraw/zinc/96/69/31/560966931.db2.gz OMUIOUUEFHVWHJ-QFBILLFUSA-N 1 3 367.497 2.157 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@H]3C[NH+]4CCC3CC4)CC2)c1 ZINC000469969735 560970197 /nfs/dbraw/zinc/97/01/97/560970197.db2.gz RHQZEXSJFYCBQL-NRFANRHFSA-N 1 3 370.541 2.060 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000470738118 560988348 /nfs/dbraw/zinc/98/83/48/560988348.db2.gz SVSWHLKKXFXTDU-PMACEKPBSA-N 1 3 358.530 2.287 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000470884057 560992880 /nfs/dbraw/zinc/99/28/80/560992880.db2.gz UKZBASDGUWPVRU-QGZVFWFLSA-N 1 3 366.550 2.003 20 0 FEADHO Cc1c([C@H](C)N[C@H](C)CC[NH+]2CCN(C)CC2)nnn1-c1ccccc1 ZINC000471585948 561007914 /nfs/dbraw/zinc/00/79/14/561007914.db2.gz BDXLZYYAHLQJSD-SJORKVTESA-N 1 3 356.518 2.252 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000472958711 561038761 /nfs/dbraw/zinc/03/87/61/561038761.db2.gz HPYNQKPEPHGKLG-IPMKNSEASA-N 1 3 368.566 2.392 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)C1 ZINC000472981499 561039425 /nfs/dbraw/zinc/03/94/25/561039425.db2.gz VZJLMNKVCQFODM-CEXWTWQISA-N 1 3 368.566 2.392 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000474460541 561074746 /nfs/dbraw/zinc/07/47/46/561074746.db2.gz MOFAHTBLPDLGLB-OAHLLOKOSA-N 1 3 362.909 2.036 20 0 FEADHO CC(C)(CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000529281069 562367027 /nfs/dbraw/zinc/36/70/27/562367027.db2.gz FGAGUEPBJLFWTM-GOSISDBHSA-N 1 3 366.550 2.051 20 0 FEADHO O=c1[nH]c2ccccc2n1CCCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240350 562403871 /nfs/dbraw/zinc/40/38/71/562403871.db2.gz KYIDAFFLARVEOO-KRWDZBQOSA-N 1 3 358.486 2.223 20 0 FEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530573297 562416544 /nfs/dbraw/zinc/41/65/44/562416544.db2.gz CXDVDYJUEHVNHA-UGKGYDQZSA-N 1 3 373.541 2.252 20 0 FEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530573297 562416545 /nfs/dbraw/zinc/41/65/45/562416545.db2.gz CXDVDYJUEHVNHA-UGKGYDQZSA-N 1 3 373.541 2.252 20 0 FEADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1Oc2ccccc2[C@H]1C ZINC000530754881 562422966 /nfs/dbraw/zinc/42/29/66/562422966.db2.gz WOCMJHCSTBBIDA-GJYPPUQNSA-N 1 3 362.518 2.074 20 0 FEADHO CC(C)OC1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000530917676 562428640 /nfs/dbraw/zinc/42/86/40/562428640.db2.gz CQMVASXSSVOTND-UHFFFAOYSA-N 1 3 366.550 2.144 20 0 FEADHO CC[NH+](CC)CC1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000531052202 562433041 /nfs/dbraw/zinc/43/30/41/562433041.db2.gz GZZQIPMBFWJTQB-JOCHJYFZSA-N 1 3 373.541 2.204 20 0 FEADHO Cc1nc(COc2ccc(CNCC3(O)CC[NH+](C(C)C)CC3)cc2)no1 ZINC000531863849 562459203 /nfs/dbraw/zinc/45/92/03/562459203.db2.gz PUWGINUDEJWENK-UHFFFAOYSA-N 1 3 374.485 2.282 20 0 FEADHO C[C@H](CCNCc1ccccc1N(C)C1CC[NH+](C)CC1)[S@](C)=O ZINC000532210562 562470633 /nfs/dbraw/zinc/47/06/33/562470633.db2.gz ZLTQFMFAFDRRJG-GYCJOSAFSA-N 1 3 351.560 2.464 20 0 FEADHO CCCN(C)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000535095941 562551084 /nfs/dbraw/zinc/55/10/84/562551084.db2.gz LXLSBKPZNFKYEX-RTBURBONSA-N 1 3 352.567 2.124 20 0 FEADHO CCCN(C)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000535095941 562551085 /nfs/dbraw/zinc/55/10/85/562551085.db2.gz LXLSBKPZNFKYEX-RTBURBONSA-N 1 3 352.567 2.124 20 0 FEADHO CN1CC[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC000535435617 562558669 /nfs/dbraw/zinc/55/86/69/562558669.db2.gz HYXSGQFYDNAVHF-VQTJNVASSA-N 1 3 374.529 2.184 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)[C@@H](C)C1 ZINC000536854537 562581572 /nfs/dbraw/zinc/58/15/72/562581572.db2.gz XRDCRBBRRLLRND-MJUUVYJYSA-N 1 3 367.578 2.091 20 0 FEADHO CN(CCC(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)c1ccncc1 ZINC000540927028 562597151 /nfs/dbraw/zinc/59/71/51/562597151.db2.gz VGJOKSSFBZJHPE-GOSISDBHSA-N 1 3 368.485 2.082 20 0 FEADHO CC(=O)Nc1ccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000541913635 562623171 /nfs/dbraw/zinc/62/31/71/562623171.db2.gz SCYPVMPGCFYBSS-HNNXBMFYSA-N 1 3 360.502 2.238 20 0 FEADHO CC(C)N1CCN([C@H]2CCN(C(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000563090635 568069899 /nfs/dbraw/zinc/06/98/99/568069899.db2.gz SLWRQOHKBLIPOU-VQTJNVASSA-N 1 3 372.557 2.340 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccccc1 ZINC000604156815 568217897 /nfs/dbraw/zinc/21/78/97/568217897.db2.gz CZJZYOXVZGUGDU-IBGZPJMESA-N 1 3 362.518 2.042 20 0 FEADHO CC[NH+](CC)C[C@H](C)NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000469501707 568291529 /nfs/dbraw/zinc/29/15/29/568291529.db2.gz NTIFFRSKQJLHLQ-IBGZPJMESA-N 1 3 360.546 2.354 20 0 FEADHO CN1CCC(n2cc(NC(=O)NCC3CC[NH+](C4CC4)CC3)cn2)CC1 ZINC000637096562 568381365 /nfs/dbraw/zinc/38/13/65/568381365.db2.gz VRJQFNBKECRJNX-UHFFFAOYSA-N 1 3 360.506 2.146 20 0 FEADHO CCN1CCC[C@@H]1C[N@H+](CCN(C)C)CC1CCC2(CC1)OCCO2 ZINC000809738505 674507987 /nfs/dbraw/zinc/50/79/87/674507987.db2.gz XSSDUVAZXNQXDM-LJQANCHMSA-N 1 3 353.551 2.268 20 0 FEADHO CCN1CCC[C@@H]1C[N@@H+](CCN(C)C)CC1CCC2(CC1)OCCO2 ZINC000809738505 674507988 /nfs/dbraw/zinc/50/79/88/674507988.db2.gz XSSDUVAZXNQXDM-LJQANCHMSA-N 1 3 353.551 2.268 20 0 FEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000564596261 675042162 /nfs/dbraw/zinc/04/21/62/675042162.db2.gz CPTVHZPIECNHRZ-SJORKVTESA-N 1 3 354.539 2.002 20 0 FEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000564596261 675042166 /nfs/dbraw/zinc/04/21/66/675042166.db2.gz CPTVHZPIECNHRZ-SJORKVTESA-N 1 3 354.539 2.002 20 0 FEADHO [NH3+]C[C@@H]1CC[C@@H](N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000571157202 670825198 /nfs/dbraw/zinc/82/51/98/670825198.db2.gz QPBVKBRTCJLTTR-MPKXVKKWSA-N 1 3 373.316 2.385 20 0 FEADHO CN(CCCN(C)[C@@H]1CCN(c2cccc(Cl)c2)C1=O)CC[NH+](C)C ZINC000575876747 671328095 /nfs/dbraw/zinc/32/80/95/671328095.db2.gz LPSVWPXQAUTZRM-GOSISDBHSA-N 1 3 366.937 2.261 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@](C)(COC)C3)CC2)CC1 ZINC000576714688 671389412 /nfs/dbraw/zinc/38/94/12/671389412.db2.gz DBEIISUDRYEVIN-HXUWFJFHSA-N 1 3 351.535 2.068 20 0 FEADHO CC[C@H]1C[C@H](NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCO1 ZINC000579732455 671757005 /nfs/dbraw/zinc/75/70/05/671757005.db2.gz UZSRYPSAAKKGEY-MJGOQNOKSA-N 1 3 351.535 2.257 20 0 FEADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000580948104 671849696 /nfs/dbraw/zinc/84/96/96/671849696.db2.gz ZVJORMIUMLFGDU-MRXNPFEDSA-N 1 3 369.937 2.004 20 0 FEADHO COc1ccc(Cl)cc1CNC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000581251687 671878611 /nfs/dbraw/zinc/87/86/11/671878611.db2.gz CWIWOBIQNRAMFT-CABCVRRESA-N 1 3 365.905 2.286 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C)(OC)CC3)CC2)CC1 ZINC000583701893 672118974 /nfs/dbraw/zinc/11/89/74/672118974.db2.gz CIYPAQGKTRYONR-UHFFFAOYSA-N 1 3 351.535 2.210 20 0 FEADHO CS(=O)(=O)Nc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000583988697 672144918 /nfs/dbraw/zinc/14/49/18/672144918.db2.gz SQNOWSXQOYKVNI-RCCFBDPRSA-N 1 3 351.516 2.459 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000156289623 672244515 /nfs/dbraw/zinc/24/45/15/672244515.db2.gz SESSHHZBJGEYLW-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO C#CCOc1ccc(Br)cc1CNCCOCC[NH+](C)C ZINC000231676021 672799663 /nfs/dbraw/zinc/79/96/63/672799663.db2.gz JVHGTODWLPFNHM-UHFFFAOYSA-N 1 3 355.276 2.129 20 0 FEADHO C[C@@H]1CN(Cc2cc(-n3ccnc3)cs2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000542465880 673584028 /nfs/dbraw/zinc/58/40/28/673584028.db2.gz NBLTYEXRBDGJJJ-APWZRJJASA-N 1 3 359.543 2.392 20 0 FEADHO CN(C[C@@H](O)C[NH2+]C1CCN(C2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000819135420 675263791 /nfs/dbraw/zinc/26/37/91/675263791.db2.gz WNXZRWIENPOTHK-KRWDZBQOSA-N 1 3 355.523 2.211 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)cc1 ZINC000567502150 675298894 /nfs/dbraw/zinc/29/88/94/675298894.db2.gz ZFTPVAGADLOLJV-UHFFFAOYSA-N 1 3 353.532 2.278 20 0 FEADHO C[C@](O)(C[NH2+]CCCCN1CCN(c2ccccc2)CC1)C(F)(F)F ZINC000567677892 675311546 /nfs/dbraw/zinc/31/15/46/675311546.db2.gz DEMMVFMGSKLFDM-KRWDZBQOSA-N 1 3 359.436 2.492 20 0 FEADHO [NH3+][C@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)C1CCC1 ZINC000567811803 675325561 /nfs/dbraw/zinc/32/55/61/675325561.db2.gz LHRAOSFUOUXQBP-SFHVURJKSA-N 1 3 365.905 2.427 20 0 FEADHO Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)no1 ZINC000820068185 675334452 /nfs/dbraw/zinc/33/44/52/675334452.db2.gz IOPYGQDICQRTSS-YOEHRIQHSA-N 1 3 351.495 2.102 20 0 FEADHO Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)no1 ZINC000820068185 675334456 /nfs/dbraw/zinc/33/44/56/675334456.db2.gz IOPYGQDICQRTSS-YOEHRIQHSA-N 1 3 351.495 2.102 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000824826923 675623670 /nfs/dbraw/zinc/62/36/70/675623670.db2.gz UDTUUMRPEQWLCG-ZNMIVQPWSA-N 1 3 367.456 2.265 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000824826923 675623672 /nfs/dbraw/zinc/62/36/72/675623672.db2.gz UDTUUMRPEQWLCG-ZNMIVQPWSA-N 1 3 367.456 2.265 20 0 FEADHO Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504534 676288976 /nfs/dbraw/zinc/28/89/76/676288976.db2.gz ZZDHOLDODNENCN-LBPRGKRZSA-N 1 3 360.424 2.411 20 0 FEADHO Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504534 676288977 /nfs/dbraw/zinc/28/89/77/676288977.db2.gz ZZDHOLDODNENCN-LBPRGKRZSA-N 1 3 360.424 2.411 20 0 FEADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000618988578 676358968 /nfs/dbraw/zinc/35/89/68/676358968.db2.gz BWXOSCYAELNPMK-SFHVURJKSA-N 1 3 351.535 2.258 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H]4CC[C@@H](C3)S4)CC2)CC1 ZINC000623564709 676541013 /nfs/dbraw/zinc/54/10/13/676541013.db2.gz OAZBQRHNRUKKJC-MSOLQXFVSA-N 1 3 366.575 2.225 20 0 FEADHO C[C@@H]1CC[C@@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C[NH2+]1 ZINC000627022302 676735297 /nfs/dbraw/zinc/73/52/97/676735297.db2.gz CTOKBZMZHFRVGN-QSFCEBDXSA-N 1 3 362.440 2.231 20 0 FEADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000627045167 676736588 /nfs/dbraw/zinc/73/65/88/676736588.db2.gz JMIHGDSZZIPMHV-GVDBMIGSSA-N 1 3 350.532 2.451 20 0 FEADHO C[NH2+]CCOCCN[C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000629529427 676858368 /nfs/dbraw/zinc/85/83/68/676858368.db2.gz CGAXDAKLCPRNPW-JKSUJKDBSA-N 1 3 357.292 2.495 20 0 FEADHO O[C@@H](C[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)CN1CCCC1 ZINC000629565537 676859984 /nfs/dbraw/zinc/85/99/84/676859984.db2.gz KHCWGPNGWCIYBQ-RDJZCZTQSA-N 1 3 357.420 2.330 20 0 FEADHO NC1(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CCOCC1 ZINC000629655966 676864354 /nfs/dbraw/zinc/86/43/54/676864354.db2.gz ZFASWZZEMCUOMS-UHFFFAOYSA-N 1 3 354.376 2.489 20 0 FEADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000631063083 676931410 /nfs/dbraw/zinc/93/14/10/676931410.db2.gz AKVACKLUOSLJAR-MRXNPFEDSA-N 1 3 357.420 2.468 20 0 FEADHO C[NH+](C)CCCS(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000631683983 676951701 /nfs/dbraw/zinc/95/17/01/676951701.db2.gz QKUUCYQQCNTKJH-UHFFFAOYSA-N 1 3 353.532 2.044 20 0 FEADHO COC[C@]1(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCCCN1 ZINC000638122265 677140541 /nfs/dbraw/zinc/14/05/41/677140541.db2.gz IMYDBEVVZRLWNN-AYBZRNKSSA-N 1 3 365.543 2.406 20 0 FEADHO COC[C@]1(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCCCN1 ZINC000638122265 677140542 /nfs/dbraw/zinc/14/05/42/677140542.db2.gz IMYDBEVVZRLWNN-AYBZRNKSSA-N 1 3 365.543 2.406 20 0 FEADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639819519 677167166 /nfs/dbraw/zinc/16/71/66/677167166.db2.gz ITBMCCWHBWDUFE-QGZVFWFLSA-N 1 3 364.500 2.361 20 0 FEADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639819519 677167167 /nfs/dbraw/zinc/16/71/67/677167167.db2.gz ITBMCCWHBWDUFE-QGZVFWFLSA-N 1 3 364.500 2.361 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(C)(CC(F)F)C3)CC2)CC1 ZINC000645229002 677255924 /nfs/dbraw/zinc/25/59/24/677255924.db2.gz DMDOXENJENRNPF-UHFFFAOYSA-N 1 3 358.477 2.232 20 0 FEADHO CCCN(C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@@H]1CCN(C)C1 ZINC000645270267 677256809 /nfs/dbraw/zinc/25/68/09/677256809.db2.gz MSCMVFPLLYOUSW-MRXNPFEDSA-N 1 3 354.539 2.002 20 0 FEADHO CC1(C)C[NH2+][C@H]1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000646034738 677277505 /nfs/dbraw/zinc/27/75/05/677277505.db2.gz FTGQJLFZZZSKLQ-KRWDZBQOSA-N 1 3 365.905 2.297 20 0 FEADHO CCN(C(=O)CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000652345720 677480438 /nfs/dbraw/zinc/48/04/38/677480438.db2.gz KFVTWNNZLNRHLD-SCTDSRPQSA-N 1 3 351.535 2.386 20 0 FEADHO CCN(C(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000652345721 677480485 /nfs/dbraw/zinc/48/04/85/677480485.db2.gz KFVTWNNZLNRHLD-YQVWRLOYSA-N 1 3 351.535 2.386 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653120675 677516619 /nfs/dbraw/zinc/51/66/19/677516619.db2.gz WXJHFPVZHBRUJQ-IAGOWNOFSA-N 1 3 351.560 2.385 20 0 FEADHO CCC(C)(C)N1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000654545863 677587629 /nfs/dbraw/zinc/58/76/29/677587629.db2.gz HEQJDWQNETWXHT-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO CCC(C)(C)N1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000654545863 677587631 /nfs/dbraw/zinc/58/76/31/677587631.db2.gz HEQJDWQNETWXHT-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO CC(C)N(CCN(C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659584205 678190755 /nfs/dbraw/zinc/19/07/55/678190755.db2.gz DVPDXLBYAJHRIW-QZTJIDSGSA-N 1 3 350.482 2.253 20 0 FEADHO CC(C)CNC(=O)CCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000660151045 678296390 /nfs/dbraw/zinc/29/63/90/678296390.db2.gz NLWOIVZBEYLZAP-UHFFFAOYSA-N 1 3 352.567 2.029 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)[C@@H](C)C1 ZINC000660307307 678321901 /nfs/dbraw/zinc/32/19/01/678321901.db2.gz WELWJHQXFVFUCH-LTFXXXRZSA-N 1 3 351.535 2.160 20 0 FEADHO C[C@H](O)[C@H]1CCCN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000661768959 678531817 /nfs/dbraw/zinc/53/18/17/678531817.db2.gz ZUVNNFGPBHCXDI-MAUKXSAKSA-N 1 3 363.527 2.019 20 0 FEADHO N[C@@H](CC(F)F)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662715713 678654158 /nfs/dbraw/zinc/65/41/58/678654158.db2.gz PCEDIVZQSOLLRT-HOTGVXAUSA-N 1 3 351.441 2.387 20 0 FEADHO N[C@@H](CC(F)F)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662715713 678654161 /nfs/dbraw/zinc/65/41/61/678654161.db2.gz PCEDIVZQSOLLRT-HOTGVXAUSA-N 1 3 351.441 2.387 20 0 FEADHO COc1cccc([C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000663757763 678784637 /nfs/dbraw/zinc/78/46/37/678784637.db2.gz VOVVZXOSLRCLTR-JKSUJKDBSA-N 1 3 350.507 2.327 20 0 FEADHO COc1cccc([C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000663757763 678784641 /nfs/dbraw/zinc/78/46/41/678784641.db2.gz VOVVZXOSLRCLTR-JKSUJKDBSA-N 1 3 350.507 2.327 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CSc2ccccc21 ZINC000664977313 678935792 /nfs/dbraw/zinc/93/57/92/678935792.db2.gz OWLZUENZUFOUFH-HOTGVXAUSA-N 1 3 364.559 2.447 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CSc2ccccc21 ZINC000664977313 678935794 /nfs/dbraw/zinc/93/57/94/678935794.db2.gz OWLZUENZUFOUFH-HOTGVXAUSA-N 1 3 364.559 2.447 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000665762906 678982262 /nfs/dbraw/zinc/98/22/62/678982262.db2.gz TXYUALBTSXTTJR-IHRRRGAJSA-N 1 3 352.445 2.241 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000665762906 678982264 /nfs/dbraw/zinc/98/22/64/678982264.db2.gz TXYUALBTSXTTJR-IHRRRGAJSA-N 1 3 352.445 2.241 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(CC(F)(F)F)C3)CC2)CC1 ZINC000675421508 679548646 /nfs/dbraw/zinc/54/86/46/679548646.db2.gz LQXOSLRFFMWNMM-UHFFFAOYSA-N 1 3 362.440 2.139 20 0 FEADHO CCCN1CCC([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000675780345 679581282 /nfs/dbraw/zinc/58/12/82/679581282.db2.gz ITMOXUUNPDVCOA-UHFFFAOYSA-N 1 3 359.923 2.082 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(C[C@@H]3CC(C)(C)CO3)CC2)CC[N@@H+]1C ZINC000981199967 680220886 /nfs/dbraw/zinc/22/08/86/680220886.db2.gz HDAHUPFXQHQDFS-OKZBNKHCSA-N 1 3 351.535 2.066 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(C[C@@H]3CC(C)(C)CO3)CC2)CC[N@H+]1C ZINC000981199967 680220890 /nfs/dbraw/zinc/22/08/90/680220890.db2.gz HDAHUPFXQHQDFS-OKZBNKHCSA-N 1 3 351.535 2.066 20 0 FEADHO Cc1csc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001023993577 680277426 /nfs/dbraw/zinc/27/74/26/680277426.db2.gz JBVMFSBUTZLBKM-OWCLPIDISA-N 1 3 350.532 2.120 20 0 FEADHO Cc1csc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001023993577 680277429 /nfs/dbraw/zinc/27/74/29/680277429.db2.gz JBVMFSBUTZLBKM-OWCLPIDISA-N 1 3 350.532 2.120 20 0 FEADHO Cc1nsc(C)c1CN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995827701 680304843 /nfs/dbraw/zinc/30/48/43/680304843.db2.gz VICRFQFJQGNUFD-UNEWFSDZSA-N 1 3 364.559 2.427 20 0 FEADHO Cc1nsc(C)c1CN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995827701 680304848 /nfs/dbraw/zinc/30/48/48/680304848.db2.gz VICRFQFJQGNUFD-UNEWFSDZSA-N 1 3 364.559 2.427 20 0 FEADHO Cc1nc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sc1C ZINC001026852912 680350499 /nfs/dbraw/zinc/35/04/99/680350499.db2.gz TWFHPSSRWRNBLY-FVQBIDKESA-N 1 3 350.532 2.038 20 0 FEADHO Cc1nc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sc1C ZINC001026852912 680350503 /nfs/dbraw/zinc/35/05/03/680350503.db2.gz TWFHPSSRWRNBLY-FVQBIDKESA-N 1 3 350.532 2.038 20 0 FEADHO O=C(N(CCN1CCCC1)Cc1ccc(Cl)cc1)[C@]1(F)CC[NH2+]C1 ZINC000843490051 681006786 /nfs/dbraw/zinc/00/67/86/681006786.db2.gz WLMPYMOPTURRQL-SFHVURJKSA-N 1 3 353.869 2.466 20 0 FEADHO CC(C)(C)OC(=O)NC/C=C\CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848907625 681640585 /nfs/dbraw/zinc/64/05/85/681640585.db2.gz QFWPLQGZBYAIPC-CHYADLBTSA-N 1 3 353.507 2.300 20 0 FEADHO CN(C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccsc1 ZINC000914073699 685493466 /nfs/dbraw/zinc/49/34/66/685493466.db2.gz PRZIAFPGUWOTOF-ARFHVFGLSA-N 1 3 368.572 2.230 20 0 FEADHO CN(C)[C@H](CNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1ccsc1 ZINC000914073699 685493467 /nfs/dbraw/zinc/49/34/67/685493467.db2.gz PRZIAFPGUWOTOF-ARFHVFGLSA-N 1 3 368.572 2.230 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CCc3ccns3)CC2(C)C)CC[N@@H+]1C ZINC000940757201 682079460 /nfs/dbraw/zinc/07/94/60/682079460.db2.gz VJOXISPMSNKBNI-DJIMGWMZSA-N 1 3 364.559 2.243 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CCc3ccns3)CC2(C)C)CC[N@H+]1C ZINC000940757201 682079468 /nfs/dbraw/zinc/07/94/68/682079468.db2.gz VJOXISPMSNKBNI-DJIMGWMZSA-N 1 3 364.559 2.243 20 0 FEADHO C[C@@H](CN1CCC(OCC[NH+]2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC000785463838 682299748 /nfs/dbraw/zinc/29/97/48/682299748.db2.gz VPSFCUCRBAXPBY-INIZCTEOSA-N 1 3 355.523 2.476 20 0 FEADHO COC(CC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1)OC ZINC000856607260 682794762 /nfs/dbraw/zinc/79/47/62/682794762.db2.gz ZLSFGYLYUXJEQZ-SFHVURJKSA-N 1 3 351.491 2.384 20 0 FEADHO COC(CC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1)OC ZINC000856607260 682794764 /nfs/dbraw/zinc/79/47/64/682794764.db2.gz ZLSFGYLYUXJEQZ-SFHVURJKSA-N 1 3 351.491 2.384 20 0 FEADHO CN1CCN(CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000799727188 683488722 /nfs/dbraw/zinc/48/87/22/683488722.db2.gz YYPCTERAKHUNKB-INIZCTEOSA-N 1 3 354.539 2.002 20 0 FEADHO CC(C)(C)OC(=O)N1CCO[C@](C)(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000922788360 683783205 /nfs/dbraw/zinc/78/32/05/683783205.db2.gz VZIOPGYLZHCIGR-GPMSIDNRSA-N 1 3 353.507 2.229 20 0 FEADHO CC(C)(C)OC(=O)N1CCO[C@](C)(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000922788360 683783207 /nfs/dbraw/zinc/78/32/07/683783207.db2.gz VZIOPGYLZHCIGR-GPMSIDNRSA-N 1 3 353.507 2.229 20 0 FEADHO CN1CCN(CC[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000865553315 683997261 /nfs/dbraw/zinc/99/72/61/683997261.db2.gz UMMMRHVIQKXBGR-MRXNPFEDSA-N 1 3 354.539 2.002 20 0 FEADHO CC(C)(C)OC(=O)N1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)[C@H](O)C1 ZINC000866492438 684111291 /nfs/dbraw/zinc/11/12/91/684111291.db2.gz GRZLSSHWOVBLIH-JKSUJKDBSA-N 1 3 355.523 2.209 20 0 FEADHO NC1(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CCC1 ZINC000923330741 684264024 /nfs/dbraw/zinc/26/40/24/684264024.db2.gz HTBYEWBPUFZJOZ-NSHDSACASA-N 1 3 363.683 2.313 20 0 FEADHO Brc1cccc2c1OCC[C@@H]2NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923379947 684271776 /nfs/dbraw/zinc/27/17/76/684271776.db2.gz SAXOGBONILGZGL-FZMZJTMJSA-N 1 3 353.260 2.241 20 0 FEADHO Cn1nc(C(F)(F)F)c(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c1Cl ZINC000923451236 684283432 /nfs/dbraw/zinc/28/34/32/684283432.db2.gz MKYOVPFUOCXLSQ-JTQLQIEISA-N 1 3 366.815 2.422 20 0 FEADHO C[C@@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000923492472 684291226 /nfs/dbraw/zinc/29/12/26/684291226.db2.gz PEOYTPQMYFCKSP-CHWSQXEVSA-N 1 3 359.392 2.433 20 0 FEADHO [NH3+]CC[C@H]1CCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000923493166 684291958 /nfs/dbraw/zinc/29/19/58/684291958.db2.gz RQHQOFJWCMYUAP-SWLSCSKDSA-N 1 3 357.376 2.361 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@H]3CCCS3)CC2)CC1 ZINC000868210537 684464648 /nfs/dbraw/zinc/46/46/48/684464648.db2.gz DSKWCOAKJQHILT-QGZVFWFLSA-N 1 3 354.564 2.130 20 0 FEADHO C[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000925595032 684571936 /nfs/dbraw/zinc/57/19/36/684571936.db2.gz QBZFFONYRMYPAN-IMJJTQAJSA-N 1 3 353.532 2.494 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](OC)CC[C@H]3C)CC2)CC1 ZINC000870723572 684748817 /nfs/dbraw/zinc/74/88/17/684748817.db2.gz FTOHXMNIDQEKKG-APWZRJJASA-N 1 3 351.535 2.209 20 0 FEADHO O=C(CN1C[C@@H]2CSC[C@@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000886558565 688273713 /nfs/dbraw/zinc/27/37/13/688273713.db2.gz NRLNUYRGWXRGMJ-KDURUIRLSA-N 1 3 359.539 2.193 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)N(C)C)cc1 ZINC000895057279 689650174 /nfs/dbraw/zinc/65/01/74/689650174.db2.gz GASHIURTAMKSHS-NJAFHUGGSA-N 1 3 362.543 2.357 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)N(C)C)cc1 ZINC000895057279 689650177 /nfs/dbraw/zinc/65/01/77/689650177.db2.gz GASHIURTAMKSHS-NJAFHUGGSA-N 1 3 362.543 2.357 20 0 FEADHO O=C(NC[C@H](c1cccs1)N1CCCC1)C1C[NH+](C2CCOCC2)C1 ZINC000895466921 689721453 /nfs/dbraw/zinc/72/14/53/689721453.db2.gz IRWUDWWOFHWXFI-QGZVFWFLSA-N 1 3 363.527 2.112 20 0 FEADHO CN(C)C[C@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000897555100 690038731 /nfs/dbraw/zinc/03/87/31/690038731.db2.gz NHFXNMIENGLWMO-QAPCUYQASA-N 1 3 350.482 2.460 20 0 FEADHO CN(C)C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000897555100 690038734 /nfs/dbraw/zinc/03/87/34/690038734.db2.gz NHFXNMIENGLWMO-QAPCUYQASA-N 1 3 350.482 2.460 20 0 FEADHO CC(C)(C)OC(=O)N1CC[C@@](O)(CNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000897692439 690064283 /nfs/dbraw/zinc/06/42/83/690064283.db2.gz SAYVCZASTAEWDJ-LJQANCHMSA-N 1 3 355.523 2.211 20 0 FEADHO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C[C@@H](N)CC(F)F)cc2)C[C@@H](C)O1 ZINC000903924318 690986546 /nfs/dbraw/zinc/98/65/46/690986546.db2.gz CNPZBRDPBFVFPU-IOASZLSFSA-N 1 3 355.429 2.008 20 0 FEADHO Cc1ccc(CN2CC[C@@H](CN(C)S(=O)(=O)CCC[NH+](C)C)C2)s1 ZINC000907347525 691458818 /nfs/dbraw/zinc/45/88/18/691458818.db2.gz SJSQOWHVLKNKIK-INIZCTEOSA-N 1 3 373.588 2.092 20 0 FEADHO CN(C)c1cc[nH+]c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164865770 721084954 /nfs/dbraw/zinc/08/49/54/721084954.db2.gz PJIWDFOVMSVZRT-MOPGFXCFSA-N 1 3 353.470 2.022 20 0 FEADHO O=S1(=O)CC[C@@H](NCC2CC[NH2+]CC2)c2cc(Br)ccc21 ZINC000567638846 675308708 /nfs/dbraw/zinc/30/87/08/675308708.db2.gz LYJGSZPPCYRTLB-CQSZACIVSA-N 1 3 373.316 2.257 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000049131988 540381669 /nfs/dbraw/zinc/38/16/69/540381669.db2.gz VGROEHOBQSXFSX-INIZCTEOSA-N 1 3 360.502 2.067 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000049131988 540381671 /nfs/dbraw/zinc/38/16/71/540381671.db2.gz VGROEHOBQSXFSX-INIZCTEOSA-N 1 3 360.502 2.067 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3Cc4ccccc4S3)CC2)CC1 ZINC000050799653 540414643 /nfs/dbraw/zinc/41/46/43/540414643.db2.gz CEAOBZZHNZOPAB-IBGZPJMESA-N 1 3 359.539 2.378 20 0 FEADHO COc1ccc(C)cc1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050801245 540414835 /nfs/dbraw/zinc/41/48/35/540414835.db2.gz JEFNZYHILLWDQT-UHFFFAOYSA-N 1 3 359.514 2.221 20 0 FEADHO CN(Cc1ccsc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759344 540443651 /nfs/dbraw/zinc/44/36/51/540443651.db2.gz BGECMTFZFZDDBV-UHFFFAOYSA-N 1 3 350.532 2.448 20 0 FEADHO Cc1ccccc1CCNC(=O)[C@H](C)[NH+]1CCC(CN2CCOCC2)CC1 ZINC000051959300 540449356 /nfs/dbraw/zinc/44/93/56/540449356.db2.gz SRWLOOMNONUJHF-IBGZPJMESA-N 1 3 373.541 2.086 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000052559259 540473282 /nfs/dbraw/zinc/47/32/82/540473282.db2.gz WRBAFJQQKRZSLR-SEBOWIOWSA-N 1 3 358.530 2.331 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000052559259 540473285 /nfs/dbraw/zinc/47/32/85/540473285.db2.gz WRBAFJQQKRZSLR-SEBOWIOWSA-N 1 3 358.530 2.331 20 0 FEADHO CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056522640 540731350 /nfs/dbraw/zinc/73/13/50/540731350.db2.gz PBSYFAHQESJVKF-IBGZPJMESA-N 1 3 363.502 2.048 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[N@@H+](C(C)C)CC3)CC2)c1 ZINC000073334083 541944412 /nfs/dbraw/zinc/94/44/12/541944412.db2.gz PZGBZQFVEZGIBT-UHFFFAOYSA-N 1 3 372.557 2.450 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[N@H+](C(C)C)CC3)CC2)c1 ZINC000073334083 541944416 /nfs/dbraw/zinc/94/44/16/541944416.db2.gz PZGBZQFVEZGIBT-UHFFFAOYSA-N 1 3 372.557 2.450 20 0 FEADHO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000073895223 542011845 /nfs/dbraw/zinc/01/18/45/542011845.db2.gz XMXLRYRBRIHZRB-SFHVURJKSA-N 1 3 364.486 2.018 20 0 FEADHO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000073895223 542011847 /nfs/dbraw/zinc/01/18/47/542011847.db2.gz XMXLRYRBRIHZRB-SFHVURJKSA-N 1 3 364.486 2.018 20 0 FEADHO CC(C)[NH+]1CCC(N(C)C(=O)c2cnn(CCN3CCCCC3)c2)CC1 ZINC000074194263 542051290 /nfs/dbraw/zinc/05/12/90/542051290.db2.gz CEXDGQCPYUQZQA-UHFFFAOYSA-N 1 3 361.534 2.314 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000075215886 542160145 /nfs/dbraw/zinc/16/01/45/542160145.db2.gz ILKUVDHPGKIJRX-SFHVURJKSA-N 1 3 361.534 2.173 20 0 FEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000077644675 542404767 /nfs/dbraw/zinc/40/47/67/542404767.db2.gz DXDNEOYNURWOCS-IBGZPJMESA-N 1 3 361.534 2.419 20 0 FEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000077644675 542404771 /nfs/dbraw/zinc/40/47/71/542404771.db2.gz DXDNEOYNURWOCS-IBGZPJMESA-N 1 3 361.534 2.419 20 0 FEADHO COc1ccc(C)cc1[C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077756308 542416365 /nfs/dbraw/zinc/41/63/65/542416365.db2.gz IBGVHDHMCQXIPU-MRXNPFEDSA-N 1 3 350.507 2.199 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078209852 542448330 /nfs/dbraw/zinc/44/83/30/542448330.db2.gz BPBZEUXVQIACEX-QXAKKESOSA-N 1 3 357.498 2.183 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078209852 542448333 /nfs/dbraw/zinc/44/83/33/542448333.db2.gz BPBZEUXVQIACEX-QXAKKESOSA-N 1 3 357.498 2.183 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000079459876 542520282 /nfs/dbraw/zinc/52/02/82/542520282.db2.gz RZCZFZFITHILDO-IBGZPJMESA-N 1 3 356.514 2.388 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000079459876 542520286 /nfs/dbraw/zinc/52/02/86/542520286.db2.gz RZCZFZFITHILDO-IBGZPJMESA-N 1 3 356.514 2.388 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000079506012 542523461 /nfs/dbraw/zinc/52/34/61/542523461.db2.gz IGYYQQNFNUOION-IRXDYDNUSA-N 1 3 366.575 2.274 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000079506012 542523464 /nfs/dbraw/zinc/52/34/64/542523464.db2.gz IGYYQQNFNUOION-IRXDYDNUSA-N 1 3 366.575 2.274 20 0 FEADHO COCCCNC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820989 542888052 /nfs/dbraw/zinc/88/80/52/542888052.db2.gz RGCCFZZQRCYDFC-QGZVFWFLSA-N 1 3 362.518 2.161 20 0 FEADHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)n1-c1nccs1 ZINC000104533200 543134206 /nfs/dbraw/zinc/13/42/06/543134206.db2.gz KFZUASIKQXOBNF-UHFFFAOYSA-N 1 3 363.531 2.116 20 0 FEADHO COc1cccc([C@H](CNC(=O)NCC2CC[NH+](C)CC2)N2CCCC2)c1 ZINC000105084696 543157976 /nfs/dbraw/zinc/15/79/76/543157976.db2.gz FIIGXVDVJHHFMF-FQEVSTJZSA-N 1 3 374.529 2.473 20 0 FEADHO C[C@H](CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1)[N@H+](C)C1CC1 ZINC000105269638 543167507 /nfs/dbraw/zinc/16/75/07/543167507.db2.gz APPCYYWQRHDOCG-QGZVFWFLSA-N 1 3 373.545 2.213 20 0 FEADHO C[C@H](CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1)[N@@H+](C)C1CC1 ZINC000105269638 543167510 /nfs/dbraw/zinc/16/75/10/543167510.db2.gz APPCYYWQRHDOCG-QGZVFWFLSA-N 1 3 373.545 2.213 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000106458041 543231195 /nfs/dbraw/zinc/23/11/95/543231195.db2.gz CVUWEUVEKQGYPP-HXUWFJFHSA-N 1 3 360.546 2.027 20 0 FEADHO CO[C@](C)(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000106759633 543245620 /nfs/dbraw/zinc/24/56/20/543245620.db2.gz PPVBCFVGLCLYFW-NRFANRHFSA-N 1 3 359.514 2.223 20 0 FEADHO C[C@@H]1CCCC[C@H]1OCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000112886938 543466070 /nfs/dbraw/zinc/46/60/70/543466070.db2.gz MLYJLBAORYPQFL-VQIMIIECSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)([NH+](C)C)C1 ZINC000124742990 543840362 /nfs/dbraw/zinc/84/03/62/543840362.db2.gz FDZDTTPLKGXZNQ-IIBYNOLFSA-N 1 3 374.529 2.313 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000133813938 544284109 /nfs/dbraw/zinc/28/41/09/544284109.db2.gz JAIMFAMOMDLXKU-SJORKVTESA-N 1 3 371.529 2.391 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000133813938 544284110 /nfs/dbraw/zinc/28/41/10/544284110.db2.gz JAIMFAMOMDLXKU-SJORKVTESA-N 1 3 371.529 2.391 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000137982305 544393497 /nfs/dbraw/zinc/39/34/97/544393497.db2.gz XOAJIFFNRYOHMF-MOPGFXCFSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000137982305 544393498 /nfs/dbraw/zinc/39/34/98/544393498.db2.gz XOAJIFFNRYOHMF-MOPGFXCFSA-N 1 3 374.529 2.253 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCCN2CCCC2=O)CC1 ZINC000151367586 544533443 /nfs/dbraw/zinc/53/34/43/544533443.db2.gz PJJSHZCASIFBCE-UHFFFAOYSA-N 1 3 358.530 2.321 20 0 FEADHO C[N@H+](CC1CCN(C[C@H](O)c2ccccc2)CC1)[C@@H]1CCCCNC1=O ZINC000153550394 544789937 /nfs/dbraw/zinc/78/99/37/544789937.db2.gz WDIAYIAECHXALF-UXHICEINSA-N 1 3 359.514 2.033 20 0 FEADHO C[N@@H+](CC1CCN(C[C@H](O)c2ccccc2)CC1)[C@@H]1CCCCNC1=O ZINC000153550394 544789942 /nfs/dbraw/zinc/78/99/42/544789942.db2.gz WDIAYIAECHXALF-UXHICEINSA-N 1 3 359.514 2.033 20 0 FEADHO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@H]1CCCCNC1=O ZINC000153550394 544789945 /nfs/dbraw/zinc/78/99/45/544789945.db2.gz WDIAYIAECHXALF-UXHICEINSA-N 1 3 359.514 2.033 20 0 FEADHO C[C@H](c1nc(-c2cccs2)no1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178979590 327619574 /nfs/dbraw/zinc/61/95/74/327619574.db2.gz FJUGPHKLSUDYQG-CQSZACIVSA-N 1 3 361.515 2.476 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)ccn1 ZINC000183213264 327807364 /nfs/dbraw/zinc/80/73/64/327807364.db2.gz WLCAWWLAJQPLBE-SFHVURJKSA-N 1 3 360.502 2.113 20 0 FEADHO CN1C(=O)CCc2cc(C[NH2+]C3CCN([C@H]4CCCC[C@@H]4O)CC3)ccc21 ZINC000187306975 328015170 /nfs/dbraw/zinc/01/51/70/328015170.db2.gz MDRGYRHVPDXSEX-SFTDATJTSA-N 1 3 371.525 2.453 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000188205494 328073112 /nfs/dbraw/zinc/07/31/12/328073112.db2.gz WJGGLYUUEMVGIL-IRXDYDNUSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000188205494 328073113 /nfs/dbraw/zinc/07/31/13/328073113.db2.gz WJGGLYUUEMVGIL-IRXDYDNUSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@H]([NH2+]C1(CNC(=O)c2[nH]nc3c2CNCC3)CCCC1)c1ccccc1 ZINC000188768745 328109793 /nfs/dbraw/zinc/10/97/93/328109793.db2.gz ITDGEYNAERFDOG-HNNXBMFYSA-N 1 3 367.497 2.449 20 0 FEADHO CC(C)[NH+]1CCN(CCCN2CCN([C@H](C)c3cccnc3)CC2)CC1 ZINC000191508721 328268887 /nfs/dbraw/zinc/26/88/87/328268887.db2.gz XEBXVSCVJOJDPO-HXUWFJFHSA-N 1 3 359.562 2.176 20 0 FEADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000192718707 328335086 /nfs/dbraw/zinc/33/50/86/328335086.db2.gz GKHZFMHYIWZPEX-HZTRTUMWSA-N 1 3 351.516 2.213 20 0 FEADHO CC(=O)Nc1ccc(OC[C@H](O)CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056522638 324808236 /nfs/dbraw/zinc/80/82/36/324808236.db2.gz PBSYFAHQESJVKF-LJQANCHMSA-N 1 3 363.502 2.048 20 0 FEADHO C[C@@H](CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)[C@@H]1CCC[NH2+]C1 ZINC000237382654 328514418 /nfs/dbraw/zinc/51/44/18/328514418.db2.gz MYZNYJOSQNXXIH-LSDHHAIUSA-N 1 3 374.485 2.120 20 0 FEADHO COc1cccc([C@@H](CNC(=O)[C@H]([NH3+])CCSC)N2CCCC2)c1 ZINC000237308076 328511808 /nfs/dbraw/zinc/51/18/08/328511808.db2.gz QIBCCFXCXRYYPZ-IAGOWNOFSA-N 1 3 351.516 2.029 20 0 FEADHO CC(C)CN1CCN([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000078645302 325056152 /nfs/dbraw/zinc/05/61/52/325056152.db2.gz RKOGPNFHKUQHDB-CTNGQTDRSA-N 1 3 372.557 2.039 20 0 FEADHO CC(C)CN1CCN([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000078645302 325056154 /nfs/dbraw/zinc/05/61/54/325056154.db2.gz RKOGPNFHKUQHDB-CTNGQTDRSA-N 1 3 372.557 2.039 20 0 FEADHO C[C@@H](CN1CCCCC1)NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000079180966 325080207 /nfs/dbraw/zinc/08/02/07/325080207.db2.gz ZQLICLMCMRZDTQ-KRWDZBQOSA-N 1 3 362.518 2.301 20 0 FEADHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000237755219 328527477 /nfs/dbraw/zinc/52/74/77/328527477.db2.gz KVSFWJRRUIEKCU-SFHVURJKSA-N 1 3 365.905 2.442 20 0 FEADHO CCC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000088546341 325297016 /nfs/dbraw/zinc/29/70/16/325297016.db2.gz DKVUHUJAFLEQTI-UHFFFAOYSA-N 1 3 350.507 2.475 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000089666170 325326002 /nfs/dbraw/zinc/32/60/02/325326002.db2.gz ZLVRNVZDAVICJK-WWGRRREGSA-N 1 3 368.319 2.497 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000089666170 325326005 /nfs/dbraw/zinc/32/60/05/325326005.db2.gz ZLVRNVZDAVICJK-WWGRRREGSA-N 1 3 368.319 2.497 20 0 FEADHO C[C@@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)N1[C@@H](C)CC[C@@H]1C ZINC000101663053 325476627 /nfs/dbraw/zinc/47/66/27/325476627.db2.gz UZLKYEIOHJGJSI-KKUMJFAQSA-N 1 3 374.485 2.356 20 0 FEADHO C[C@@H]1CCCCN1CCNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000119801012 326199524 /nfs/dbraw/zinc/19/95/24/326199524.db2.gz PFTRTHIXQVXONM-QGZVFWFLSA-N 1 3 362.518 2.301 20 0 FEADHO CN(C)Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000121971790 326379009 /nfs/dbraw/zinc/37/90/09/326379009.db2.gz ZWPCWGIJICANPH-VQTJNVASSA-N 1 3 359.514 2.246 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000122154884 326385749 /nfs/dbraw/zinc/38/57/49/326385749.db2.gz SGQFFQNONWODJT-UHFFFAOYSA-N 1 3 374.529 2.315 20 0 FEADHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)NC(=O)NCc1ccccc1 ZINC000127164110 326501300 /nfs/dbraw/zinc/50/13/00/326501300.db2.gz KWFNKTQNLIJNPR-UHFFFAOYSA-N 1 3 372.513 2.210 20 0 FEADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000129325886 326538496 /nfs/dbraw/zinc/53/84/96/326538496.db2.gz YQZDWUNUPONHNI-HOTGVXAUSA-N 1 3 350.532 2.478 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000131295443 326572039 /nfs/dbraw/zinc/57/20/39/326572039.db2.gz VNECRUUALMOWMP-UHFFFAOYSA-N 1 3 370.881 2.068 20 0 FEADHO COc1cc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc(OC)c1OC ZINC000150969403 326672189 /nfs/dbraw/zinc/67/21/89/326672189.db2.gz ROFZMIYOUGPHSZ-HNNXBMFYSA-N 1 3 365.518 2.389 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000158300981 326891640 /nfs/dbraw/zinc/89/16/40/326891640.db2.gz IIBNMTPVXAZVIB-NRFANRHFSA-N 1 3 356.514 2.043 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@@H](C)O1 ZINC000162883301 327037073 /nfs/dbraw/zinc/03/70/73/327037073.db2.gz QQAROWJCGWILEH-IAGOWNOFSA-N 1 3 363.502 2.363 20 0 FEADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@]2(F)CCNC2)ccc1OC ZINC000166185696 327080932 /nfs/dbraw/zinc/08/09/32/327080932.db2.gz XNXAVDVHULOPLL-SFHVURJKSA-N 1 3 353.438 2.056 20 0 FEADHO CSCC[C@@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000167433879 327084809 /nfs/dbraw/zinc/08/48/09/327084809.db2.gz FGCAMCUJSYZJPX-MRXNPFEDSA-N 1 3 368.522 2.375 20 0 FEADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc(F)ccc1F ZINC000168907699 327087732 /nfs/dbraw/zinc/08/77/32/327087732.db2.gz WCZLJLFLUQDINV-IBGZPJMESA-N 1 3 355.473 2.396 20 0 FEADHO Cc1ncsc1CN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000171760950 327159852 /nfs/dbraw/zinc/15/98/52/327159852.db2.gz WZASXDLDQMYVRN-UHFFFAOYSA-N 1 3 365.547 2.152 20 0 FEADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173316898 327249279 /nfs/dbraw/zinc/24/92/79/327249279.db2.gz QYHYZEYUBCNSHE-GJZGRUSLSA-N 1 3 351.516 2.072 20 0 FEADHO C[C@@H]1CCCN(CCNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000173846697 327288568 /nfs/dbraw/zinc/28/85/68/327288568.db2.gz WZEJXWHTYNZJNI-GOSISDBHSA-N 1 3 366.550 2.005 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000174073252 327304830 /nfs/dbraw/zinc/30/48/30/327304830.db2.gz URJVFYKFBOAWSI-UHFFFAOYSA-N 1 3 370.541 2.189 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000175733431 327409575 /nfs/dbraw/zinc/40/95/75/327409575.db2.gz WUNURZKIHIEGSH-ZWKOTPCHSA-N 1 3 362.518 2.299 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000176626753 327466651 /nfs/dbraw/zinc/46/66/51/327466651.db2.gz JAVSUYUOLRAQOJ-IBGZPJMESA-N 1 3 366.550 2.146 20 0 FEADHO CCC[NH+]1CCC(N(C)C(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000176625658 327466667 /nfs/dbraw/zinc/46/66/67/327466667.db2.gz PACQMMZQHTXBKN-UHFFFAOYSA-N 1 3 368.566 2.392 20 0 FEADHO COCCN(CC[NH+](C)C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000264288392 329007428 /nfs/dbraw/zinc/00/74/28/329007428.db2.gz UBGSXFCINAZSFD-INIZCTEOSA-N 1 3 368.547 2.105 20 0 FEADHO CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)c2C1 ZINC000265363863 329119123 /nfs/dbraw/zinc/11/91/23/329119123.db2.gz FJZPLRLIWAUFIV-HNNXBMFYSA-N 1 3 372.513 2.196 20 0 FEADHO CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCC[N@@H+](C)C3CC3)c2C1 ZINC000265363863 329119124 /nfs/dbraw/zinc/11/91/24/329119124.db2.gz FJZPLRLIWAUFIV-HNNXBMFYSA-N 1 3 372.513 2.196 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CCOC)C1)c1ccsc1 ZINC000265614802 329143157 /nfs/dbraw/zinc/14/31/57/329143157.db2.gz ORBHBVSUAZGPGL-SJORKVTESA-N 1 3 368.547 2.151 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CCOC)C1)c1ccsc1 ZINC000265614802 329143158 /nfs/dbraw/zinc/14/31/58/329143158.db2.gz ORBHBVSUAZGPGL-SJORKVTESA-N 1 3 368.547 2.151 20 0 FEADHO C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000267021611 329284016 /nfs/dbraw/zinc/28/40/16/329284016.db2.gz PPLSIVKCUHMVFW-HTAPYJJXSA-N 1 3 373.541 2.216 20 0 FEADHO CN(C)[C@@]1(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCSC1 ZINC000267146602 329296229 /nfs/dbraw/zinc/29/62/29/329296229.db2.gz VPJDYXQGDSIURC-HXUWFJFHSA-N 1 3 361.555 2.452 20 0 FEADHO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000270943214 329647528 /nfs/dbraw/zinc/64/75/28/329647528.db2.gz CVAQDORHMXLDIW-NRFANRHFSA-N 1 3 373.541 2.447 20 0 FEADHO Cn1cnc2cc(CNCc3ccc(C(=O)NCC[NH+](C)C)cc3)ccc21 ZINC000271634477 329709767 /nfs/dbraw/zinc/70/97/67/329709767.db2.gz GCOLRZUYFQUWJH-UHFFFAOYSA-N 1 3 365.481 2.155 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccccc1OCC(=O)OC ZINC000273373182 329859591 /nfs/dbraw/zinc/85/95/91/329859591.db2.gz PYLRTVONXXVJTH-HOTGVXAUSA-N 1 3 352.475 2.246 20 0 FEADHO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000274136070 329919060 /nfs/dbraw/zinc/91/90/60/329919060.db2.gz YWKPIVGRXPTZGD-AOIWGVFYSA-N 1 3 359.514 2.170 20 0 FEADHO CSc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)nc1 ZINC000275608381 330069498 /nfs/dbraw/zinc/06/94/98/330069498.db2.gz IVRIDYFLMCGXDB-UHFFFAOYSA-N 1 3 363.531 2.484 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)c1 ZINC000276569364 330165739 /nfs/dbraw/zinc/16/57/39/330165739.db2.gz HCAHGDLALMCDQP-UHFFFAOYSA-N 1 3 367.493 2.245 20 0 FEADHO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1c(C)nn(C)c1N1CCCN(C)CC1 ZINC000367056808 330212307 /nfs/dbraw/zinc/21/23/07/330212307.db2.gz CCJCSHOWERAGDN-HKUYNNGSSA-N 1 3 363.550 2.165 20 0 FEADHO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367117375 330218767 /nfs/dbraw/zinc/21/87/67/330218767.db2.gz OLKYOVSIMYOXEO-WAOWUJCRSA-N 1 3 372.557 2.353 20 0 FEADHO CCn1cccc(CNCc2ccccc2N2CC[NH+](CC)CC2)c1=O ZINC000433181690 330275265 /nfs/dbraw/zinc/27/52/65/330275265.db2.gz KHVYCQQCMVHITB-UHFFFAOYSA-N 1 3 354.498 2.300 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+]C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000155562602 545542788 /nfs/dbraw/zinc/54/27/88/545542788.db2.gz QTFKEJDLVSPDIW-SFHVURJKSA-N 1 3 362.537 2.406 20 0 FEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000477766620 561152900 /nfs/dbraw/zinc/15/29/00/561152900.db2.gz SSJKRLJSBZRTCV-LPHOPBHVSA-N 1 3 361.530 2.426 20 0 FEADHO COCCOc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000158901556 545903864 /nfs/dbraw/zinc/90/38/64/545903864.db2.gz CVQFSIHBBDIJKE-PKOBYXMFSA-N 1 3 350.503 2.455 20 0 FEADHO CC(C)COC[C@@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175797209 546353509 /nfs/dbraw/zinc/35/35/09/546353509.db2.gz XCWULCXXPZCULX-NSHGMRRFSA-N 1 3 356.551 2.231 20 0 FEADHO Cc1cnc([C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000176479716 546451895 /nfs/dbraw/zinc/45/18/95/546451895.db2.gz KASFGJWDWWNOCW-CQSZACIVSA-N 1 3 365.547 2.370 20 0 FEADHO Cc1cccc2[nH]c(CCC(=O)N(C)CCN(C)C3CC[NH+](C)CC3)nc21 ZINC000176489985 546453767 /nfs/dbraw/zinc/45/37/67/546453767.db2.gz YQAZWNSCUBUTOC-UHFFFAOYSA-N 1 3 371.529 2.288 20 0 FEADHO Cc1cccc2nc(CCC(=O)N(C)CC[N@H+](C)C3CCN(C)CC3)[nH]c21 ZINC000176489985 546453770 /nfs/dbraw/zinc/45/37/70/546453770.db2.gz YQAZWNSCUBUTOC-UHFFFAOYSA-N 1 3 371.529 2.288 20 0 FEADHO Cc1cccc2nc(CCC(=O)N(C)CC[N@@H+](C)C3CCN(C)CC3)[nH]c21 ZINC000176489985 546453773 /nfs/dbraw/zinc/45/37/73/546453773.db2.gz YQAZWNSCUBUTOC-UHFFFAOYSA-N 1 3 371.529 2.288 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)c1 ZINC000177536877 546638742 /nfs/dbraw/zinc/63/87/42/546638742.db2.gz WVKWZDDNRNNVDH-GOSISDBHSA-N 1 3 360.502 2.020 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)NC[C@@]1(N(C)C)CCSC1)CC(C)C ZINC000481017980 561223067 /nfs/dbraw/zinc/22/30/67/561223067.db2.gz DICDZRLLLAFQIY-WMZOPIPTSA-N 1 3 358.596 2.479 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481064883 561224290 /nfs/dbraw/zinc/22/42/90/561224290.db2.gz WJNVBGYTEWTLSN-SJLPKXTDSA-N 1 3 356.580 2.235 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481064883 561224291 /nfs/dbraw/zinc/22/42/91/561224291.db2.gz WJNVBGYTEWTLSN-SJLPKXTDSA-N 1 3 356.580 2.235 20 0 FEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481694949 561238758 /nfs/dbraw/zinc/23/87/58/561238758.db2.gz TUUNXCLXMBVPGT-WMZOPIPTSA-N 1 3 356.580 2.378 20 0 FEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481694949 561238759 /nfs/dbraw/zinc/23/87/59/561238759.db2.gz TUUNXCLXMBVPGT-WMZOPIPTSA-N 1 3 356.580 2.378 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000181975859 547415832 /nfs/dbraw/zinc/41/58/32/547415832.db2.gz SCTDQRZFSIEPCI-AABGKKOBSA-N 1 3 371.525 2.415 20 0 FEADHO CC[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000182240747 547459109 /nfs/dbraw/zinc/45/91/09/547459109.db2.gz XTTKYCGFXYUBAB-WOJBJXKFSA-N 1 3 359.514 2.446 20 0 FEADHO C(N1CC[C@H]2OCCC[C@@H]2C1)C1(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)COC1 ZINC000182244635 547459899 /nfs/dbraw/zinc/45/98/99/547459899.db2.gz NEQZIEAUCPQTQV-WTGUMLROSA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CC[C@H]2OCCC[C@@H]2C1)C1(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)COC1 ZINC000182244635 547459902 /nfs/dbraw/zinc/45/99/02/547459902.db2.gz NEQZIEAUCPQTQV-WTGUMLROSA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CC[C@@H]2OCCC[C@@H]2C1)C1(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)COC1 ZINC000182244635 547459905 /nfs/dbraw/zinc/45/99/05/547459905.db2.gz NEQZIEAUCPQTQV-WTGUMLROSA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CC[C@@H]2OCCC[C@@H]2C1)C1(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)COC1 ZINC000182244635 547459907 /nfs/dbraw/zinc/45/99/07/547459907.db2.gz NEQZIEAUCPQTQV-WTGUMLROSA-N 1 3 364.530 2.005 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000182641929 547526788 /nfs/dbraw/zinc/52/67/88/547526788.db2.gz VVVAJFINTVMOLG-YLJYHZDGSA-N 1 3 361.530 2.416 20 0 FEADHO CN(CCC[NH+]1CCN(C)CC1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000182968415 547581562 /nfs/dbraw/zinc/58/15/62/547581562.db2.gz LZYVEUUUJOLPEW-GOSISDBHSA-N 1 3 364.921 2.015 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000183412524 547654770 /nfs/dbraw/zinc/65/47/70/547654770.db2.gz VDHHMOKGWJXSPG-LSDHHAIUSA-N 1 3 359.470 2.264 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000183412524 547654773 /nfs/dbraw/zinc/65/47/73/547654773.db2.gz VDHHMOKGWJXSPG-LSDHHAIUSA-N 1 3 359.470 2.264 20 0 FEADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000183461942 547665343 /nfs/dbraw/zinc/66/53/43/547665343.db2.gz QDHCFKANCZXEOO-QUCCMNQESA-N 1 3 371.529 2.424 20 0 FEADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000183461942 547665349 /nfs/dbraw/zinc/66/53/49/547665349.db2.gz QDHCFKANCZXEOO-QUCCMNQESA-N 1 3 371.529 2.424 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000185023378 547919587 /nfs/dbraw/zinc/91/95/87/547919587.db2.gz TUVWZDKXUWILGQ-UHFFFAOYSA-N 1 3 368.566 2.297 20 0 FEADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CC[NH+](CCOC)CC1)c1ccco1 ZINC000485410819 561318617 /nfs/dbraw/zinc/31/86/17/561318617.db2.gz XFGXTRKKIHJBTN-RDJZCZTQSA-N 1 3 366.506 2.119 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)Cc1ccccc1 ZINC000485465652 561319760 /nfs/dbraw/zinc/31/97/60/561319760.db2.gz OFNLAFNMNUSKSK-UFYCRDLUSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)Cc1ccccc1 ZINC000485465652 561319761 /nfs/dbraw/zinc/31/97/61/561319761.db2.gz OFNLAFNMNUSKSK-UFYCRDLUSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000194103573 548436302 /nfs/dbraw/zinc/43/63/02/548436302.db2.gz ZOIPVVDIXPWPJA-GUDVDZBRSA-N 1 3 357.498 2.025 20 0 FEADHO C[NH+](C)CCCOc1ccc(CNC(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000237104438 548800127 /nfs/dbraw/zinc/80/01/27/548800127.db2.gz IVKBLTOOPFPXSO-HXUWFJFHSA-N 1 3 355.482 2.203 20 0 FEADHO O=C(CNC[C@@H]1CCCO1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000237894180 548861519 /nfs/dbraw/zinc/86/15/19/548861519.db2.gz VOGBCDXXMXZTHV-NXEWRWPSSA-N 1 3 357.498 2.067 20 0 FEADHO O=C(CNC[C@@H]1CCCO1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000237894180 548861524 /nfs/dbraw/zinc/86/15/24/548861524.db2.gz VOGBCDXXMXZTHV-NXEWRWPSSA-N 1 3 357.498 2.067 20 0 FEADHO O[C@@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)CN1CCCC1 ZINC000238015977 548872123 /nfs/dbraw/zinc/87/21/23/548872123.db2.gz AXUCXAUEANLDJJ-IBGZPJMESA-N 1 3 351.922 2.351 20 0 FEADHO O[C@@H](CNC1CCN(Cc2ccc(Cl)cc2)CC1)C[NH+]1CCCC1 ZINC000238015977 548872127 /nfs/dbraw/zinc/87/21/27/548872127.db2.gz AXUCXAUEANLDJJ-IBGZPJMESA-N 1 3 351.922 2.351 20 0 FEADHO CCN1CCCC[C@H]1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000245881504 549009453 /nfs/dbraw/zinc/00/94/53/549009453.db2.gz BHQZJBYRVICHRP-SFTDATJTSA-N 1 3 372.557 2.356 20 0 FEADHO CC[N@@H+]1CCCC[C@H]1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000245881504 549009455 /nfs/dbraw/zinc/00/94/55/549009455.db2.gz BHQZJBYRVICHRP-SFTDATJTSA-N 1 3 372.557 2.356 20 0 FEADHO CC[N@H+]1CCCC[C@H]1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000245881504 549009457 /nfs/dbraw/zinc/00/94/57/549009457.db2.gz BHQZJBYRVICHRP-SFTDATJTSA-N 1 3 372.557 2.356 20 0 FEADHO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000246109910 549053976 /nfs/dbraw/zinc/05/39/76/549053976.db2.gz PMIDITZELQECNN-KSZLIROESA-N 1 3 352.567 2.122 20 0 FEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC3CCN(c4ccncc4)CC3)CC[C@H]21 ZINC000246294951 549098602 /nfs/dbraw/zinc/09/86/02/549098602.db2.gz CQLGBNANZCAZPK-UYAOXDASSA-N 1 3 371.529 2.424 20 0 FEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NCC3CCN(c4ccncc4)CC3)CC[C@H]21 ZINC000246294951 549098607 /nfs/dbraw/zinc/09/86/07/549098607.db2.gz CQLGBNANZCAZPK-UYAOXDASSA-N 1 3 371.529 2.424 20 0 FEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sccc1COC ZINC000488967299 561400551 /nfs/dbraw/zinc/40/05/51/561400551.db2.gz AZNXHQGFASSXOX-INIZCTEOSA-N 1 3 353.532 2.383 20 0 FEADHO COc1ccc(COC[C@H](O)C[N@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC000247254884 549307831 /nfs/dbraw/zinc/30/78/31/549307831.db2.gz FBCIJINEHZAQGO-RBUKOAKNSA-N 1 3 350.503 2.379 20 0 FEADHO COc1ccc(COC[C@H](O)C[N@@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC000247254884 549307834 /nfs/dbraw/zinc/30/78/34/549307834.db2.gz FBCIJINEHZAQGO-RBUKOAKNSA-N 1 3 350.503 2.379 20 0 FEADHO [NH3+]C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000247318405 549316371 /nfs/dbraw/zinc/31/63/71/549316371.db2.gz SCGVYXMORVMXGX-RDJZCZTQSA-N 1 3 355.404 2.248 20 0 FEADHO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CC[C@H]4[C@H](CCCN4C)C3)c2cc1C ZINC000248046822 549402736 /nfs/dbraw/zinc/40/27/36/549402736.db2.gz VLAHIJOXEFEFGE-GGPKGHCWSA-N 1 3 356.514 2.430 20 0 FEADHO Cc1cc2ncn(C[C@H](O)C[N@H+]3CC[C@H]4[C@H](CCCN4C)C3)c2cc1C ZINC000248046822 549402742 /nfs/dbraw/zinc/40/27/42/549402742.db2.gz VLAHIJOXEFEFGE-GGPKGHCWSA-N 1 3 356.514 2.430 20 0 FEADHO Cc1cc2ncn(C[C@H](O)CN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2cc1C ZINC000248046822 549402749 /nfs/dbraw/zinc/40/27/49/549402749.db2.gz VLAHIJOXEFEFGE-GGPKGHCWSA-N 1 3 356.514 2.430 20 0 FEADHO Cc1cc2ncn(C[C@H](O)CN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2cc1C ZINC000248046822 549402756 /nfs/dbraw/zinc/40/27/56/549402756.db2.gz VLAHIJOXEFEFGE-GGPKGHCWSA-N 1 3 356.514 2.430 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000248763395 549498093 /nfs/dbraw/zinc/49/80/93/549498093.db2.gz GTRHAPBQVGSIAM-LCLWPZTBSA-N 1 3 358.530 2.489 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000248763395 549498097 /nfs/dbraw/zinc/49/80/97/549498097.db2.gz GTRHAPBQVGSIAM-LCLWPZTBSA-N 1 3 358.530 2.489 20 0 FEADHO C[C@H](O)CN(CC(O)C[N@H+](C[C@H](C)O)C1CCCCC1)C1CCCCC1 ZINC000248764155 549498140 /nfs/dbraw/zinc/49/81/40/549498140.db2.gz ZNGUAXIEPLLILL-ROUUACIJSA-N 1 3 370.578 2.378 20 0 FEADHO C[C@H](O)CN(CC(O)C[N@@H+](C[C@H](C)O)C1CCCCC1)C1CCCCC1 ZINC000248764155 549498141 /nfs/dbraw/zinc/49/81/41/549498141.db2.gz ZNGUAXIEPLLILL-ROUUACIJSA-N 1 3 370.578 2.378 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000249516265 549599971 /nfs/dbraw/zinc/59/99/71/549599971.db2.gz DXCYSPUSNAOGLJ-RTBURBONSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000249516265 549599977 /nfs/dbraw/zinc/59/99/77/549599977.db2.gz DXCYSPUSNAOGLJ-RTBURBONSA-N 1 3 356.514 2.435 20 0 FEADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000250230254 549640588 /nfs/dbraw/zinc/64/05/88/549640588.db2.gz IXRXIHYTKJMMDA-ZACQAIPSSA-N 1 3 374.529 2.169 20 0 FEADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](N)C2CCOCC2)C1 ZINC000261674154 549741657 /nfs/dbraw/zinc/74/16/57/549741657.db2.gz GOCHMJKRBNOAAE-OXJNMPFZSA-N 1 3 359.514 2.289 20 0 FEADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](N)C2CCOCC2)C1 ZINC000261674154 549741658 /nfs/dbraw/zinc/74/16/58/549741658.db2.gz GOCHMJKRBNOAAE-OXJNMPFZSA-N 1 3 359.514 2.289 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261893382 549767046 /nfs/dbraw/zinc/76/70/46/549767046.db2.gz AKRNFCFWDCOSEM-QUCCMNQESA-N 1 3 367.493 2.442 20 0 FEADHO CN(c1ccccc1)c1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000262030764 549782560 /nfs/dbraw/zinc/78/25/60/549782560.db2.gz XCNALEMIUQABBT-SFHVURJKSA-N 1 3 367.497 2.136 20 0 FEADHO Cc1cccc(C)c1OCCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262135521 549791699 /nfs/dbraw/zinc/79/16/99/549791699.db2.gz ORJWLRGNGBHKBR-RBUKOAKNSA-N 1 3 359.514 2.262 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262233274 549800984 /nfs/dbraw/zinc/80/09/84/549800984.db2.gz HAPCOPXHJFDXEN-SFYZZRBRSA-N 1 3 351.535 2.146 20 0 FEADHO [NH3+][C@@H]1CCC[C@H](C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000262274725 549805085 /nfs/dbraw/zinc/80/50/85/549805085.db2.gz JDNFKALAILMUER-RBUKOAKNSA-N 1 3 358.530 2.223 20 0 FEADHO CCOc1ccccc1OCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000490962212 561440982 /nfs/dbraw/zinc/44/09/82/561440982.db2.gz DQPMSFZAKBLAJS-RBUKOAKNSA-N 1 3 361.530 2.422 20 0 FEADHO CCOc1ccccc1OCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000490962212 561440983 /nfs/dbraw/zinc/44/09/83/561440983.db2.gz DQPMSFZAKBLAJS-RBUKOAKNSA-N 1 3 361.530 2.422 20 0 FEADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNC[C@H]1CCCO1 ZINC000269246062 550171602 /nfs/dbraw/zinc/17/16/02/550171602.db2.gz DSVNTLCHHXKWOZ-WOJBJXKFSA-N 1 3 359.514 2.126 20 0 FEADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNC[C@H]1CCCO1 ZINC000269246062 550171607 /nfs/dbraw/zinc/17/16/07/550171607.db2.gz DSVNTLCHHXKWOZ-WOJBJXKFSA-N 1 3 359.514 2.126 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000269606030 550210110 /nfs/dbraw/zinc/21/01/10/550210110.db2.gz KHGIDDIAHJTEKX-GQIGUUNPSA-N 1 3 371.529 2.389 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000269606030 550210113 /nfs/dbraw/zinc/21/01/13/550210113.db2.gz KHGIDDIAHJTEKX-GQIGUUNPSA-N 1 3 371.529 2.389 20 0 FEADHO CCC[NH+](CCC)CCCC(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000270255440 550257001 /nfs/dbraw/zinc/25/70/01/550257001.db2.gz QYUHQLUGINHNDD-UHFFFAOYSA-N 1 3 350.507 2.251 20 0 FEADHO Cc1nccn1CCCN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000270599717 550288211 /nfs/dbraw/zinc/28/82/11/550288211.db2.gz GRRCAIHFNMWIDS-UHFFFAOYSA-N 1 3 371.529 2.344 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000271056898 550336226 /nfs/dbraw/zinc/33/62/26/550336226.db2.gz UVYTUIBOBNYSCT-FQEVSTJZSA-N 1 3 373.541 2.305 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000271056898 550336229 /nfs/dbraw/zinc/33/62/29/550336229.db2.gz UVYTUIBOBNYSCT-FQEVSTJZSA-N 1 3 373.541 2.305 20 0 FEADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000271753555 550399768 /nfs/dbraw/zinc/39/97/68/550399768.db2.gz RYGYGIJEOYRMHG-OAHLLOKOSA-N 1 3 374.510 2.296 20 0 FEADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000272720810 550466905 /nfs/dbraw/zinc/46/69/05/550466905.db2.gz FGQPZFGJTNVSAC-IBGZPJMESA-N 1 3 372.538 2.468 20 0 FEADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccccc1OCC(=O)OC ZINC000273373187 550496067 /nfs/dbraw/zinc/49/60/67/550496067.db2.gz PYLRTVONXXVJTH-HZPDHXFCSA-N 1 3 352.475 2.246 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCc3ccccc3OC2)cc1 ZINC000494620744 561472766 /nfs/dbraw/zinc/47/27/66/561472766.db2.gz LVDRHPABFCBFFM-FQEVSTJZSA-N 1 3 367.493 2.461 20 0 FEADHO CC(C)[NH+]1CCC(N(C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000274689701 550549400 /nfs/dbraw/zinc/54/94/00/550549400.db2.gz ZRYLZIBTRXGBAO-FQEVSTJZSA-N 1 3 360.546 2.210 20 0 FEADHO COCCN(C)c1ccc(CNCc2cccc(OCC[NH+](C)C)c2)cn1 ZINC000276964657 550616193 /nfs/dbraw/zinc/61/61/93/550616193.db2.gz NJVYRPTZELRTOT-UHFFFAOYSA-N 1 3 372.513 2.394 20 0 FEADHO C[C@H]1CN(CCCNC(=O)Nc2ccccc2CC[NH+](C)C)CCCO1 ZINC000277458478 550672990 /nfs/dbraw/zinc/67/29/90/550672990.db2.gz MKFYXJLHTMRYBC-KRWDZBQOSA-N 1 3 362.518 2.413 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279103716 550854543 /nfs/dbraw/zinc/85/45/43/550854543.db2.gz XPSFNKUTHHKGGA-NJAFHUGGSA-N 1 3 367.497 2.127 20 0 FEADHO OCCOC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCOCC1 ZINC000282707036 551262085 /nfs/dbraw/zinc/26/20/85/551262085.db2.gz LFYIGKNXMBGAIC-NJDAHSKKSA-N 1 3 374.525 2.045 20 0 FEADHO Cc1nn(-c2ccccn2)c(C)c1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000282726795 551264126 /nfs/dbraw/zinc/26/41/26/551264126.db2.gz SELBUSMGWLOZQI-UHFFFAOYSA-N 1 3 357.502 2.209 20 0 FEADHO N[C@@H](CC(F)F)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000498220717 561519029 /nfs/dbraw/zinc/51/90/29/561519029.db2.gz CDYGMXQJUBDEDV-KRWDZBQOSA-N 1 3 369.456 2.156 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@H]2C(=O)NC)CC1 ZINC000498369453 561523545 /nfs/dbraw/zinc/52/35/45/561523545.db2.gz PLUSYPFYYNNQIL-MOPGFXCFSA-N 1 3 358.530 2.223 20 0 FEADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000285747826 551804925 /nfs/dbraw/zinc/80/49/25/551804925.db2.gz ISFGRMBDQZSZNK-SIKLNZKXSA-N 1 3 371.525 2.039 20 0 FEADHO C[N@@H+]1CCC[C@H]1CCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000286194546 551859604 /nfs/dbraw/zinc/85/96/04/551859604.db2.gz XRXBIJJZYRTYTM-VXKWHMMOSA-N 1 3 356.558 2.363 20 0 FEADHO C[N@H+]1CCC[C@H]1CCN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000286194546 551859606 /nfs/dbraw/zinc/85/96/06/551859606.db2.gz XRXBIJJZYRTYTM-VXKWHMMOSA-N 1 3 356.558 2.363 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000287232222 551979225 /nfs/dbraw/zinc/97/92/25/551979225.db2.gz WLPCGDNFNDWHSZ-QGZVFWFLSA-N 1 3 350.507 2.475 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000287232222 551979226 /nfs/dbraw/zinc/97/92/26/551979226.db2.gz WLPCGDNFNDWHSZ-QGZVFWFLSA-N 1 3 350.507 2.475 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000287242521 551980284 /nfs/dbraw/zinc/98/02/84/551980284.db2.gz WGTXAXNBOPOVGR-LJQANCHMSA-N 1 3 360.502 2.224 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288037914 552078917 /nfs/dbraw/zinc/07/89/17/552078917.db2.gz IPQQNLRJQKOQLQ-JWTNVVGKSA-N 1 3 372.513 2.079 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000288037914 552078918 /nfs/dbraw/zinc/07/89/18/552078918.db2.gz IPQQNLRJQKOQLQ-JWTNVVGKSA-N 1 3 372.513 2.079 20 0 FEADHO O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1CCC[NH+]1CCCCC1 ZINC000288720207 552200233 /nfs/dbraw/zinc/20/02/33/552200233.db2.gz VUVPDTZOBWGWDV-OAQYLSRUSA-N 1 3 370.497 2.059 20 0 FEADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2cnn3ccccc23)CC1 ZINC000289892673 552395053 /nfs/dbraw/zinc/39/50/53/552395053.db2.gz SZMKEIQMKYXSRC-UHFFFAOYSA-N 1 3 369.513 2.148 20 0 FEADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C12CCC[NH+]1CCC2 ZINC000290307809 552457701 /nfs/dbraw/zinc/45/77/01/552457701.db2.gz ABTNDWJDLDEACH-LJQANCHMSA-N 1 3 357.498 2.022 20 0 FEADHO O=C(CC[C@H]1CCC[NH2+]1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000292011098 552684387 /nfs/dbraw/zinc/68/43/87/552684387.db2.gz DFQHJEFOBPWXEI-WOJBJXKFSA-N 1 3 359.514 2.080 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000501428743 561597449 /nfs/dbraw/zinc/59/74/49/561597449.db2.gz ZDHAGWLDAHZYAD-PZJWPPBQSA-N 1 3 360.546 2.088 20 0 FEADHO CN(C)CCOc1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000293947234 552870061 /nfs/dbraw/zinc/87/00/61/552870061.db2.gz ZBBVUFYVLVZMBZ-UHFFFAOYSA-N 1 3 368.543 2.320 20 0 FEADHO C[C@@H](NC1CC1)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000294916291 552943861 /nfs/dbraw/zinc/94/38/61/552943861.db2.gz CKPFOKRFWJXRDI-QGZVFWFLSA-N 1 3 359.514 2.314 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H](C)NC2CC2)cc1OC ZINC000296520601 553173044 /nfs/dbraw/zinc/17/30/44/553173044.db2.gz RYVCAKQSKTYLDG-OAHLLOKOSA-N 1 3 363.502 2.173 20 0 FEADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H](C)C[NH+]2CCCCCC2)C1 ZINC000502763754 561624976 /nfs/dbraw/zinc/62/49/76/561624976.db2.gz WEPNRKSSOYNEGU-QYZOEREBSA-N 1 3 366.550 2.146 20 0 FEADHO CN(C)C1(CNC(=O)NC2CC[NH+](C3CCC3)CC2)Cc2ccccc2C1 ZINC000296637184 553191135 /nfs/dbraw/zinc/19/11/35/553191135.db2.gz XKYZJMSMODGNDT-UHFFFAOYSA-N 1 3 370.541 2.402 20 0 FEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000503828295 561648743 /nfs/dbraw/zinc/64/87/43/561648743.db2.gz JQQXJAZPQSDNRY-NJDAHSKKSA-N 1 3 373.541 2.250 20 0 FEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000503828295 561648744 /nfs/dbraw/zinc/64/87/44/561648744.db2.gz JQQXJAZPQSDNRY-NJDAHSKKSA-N 1 3 373.541 2.250 20 0 FEADHO CCCN1CCC[C@H]1C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000504752778 561661852 /nfs/dbraw/zinc/66/18/52/561661852.db2.gz AIPVQALQNRMDQV-KRWDZBQOSA-N 1 3 363.502 2.126 20 0 FEADHO CCOC(=O)C1CCC(O)(C[NH+]2CCC(N3CCCCC3)CC2)CC1 ZINC000327768969 553791001 /nfs/dbraw/zinc/79/10/01/553791001.db2.gz KVPJJXYAKLHYOL-UHFFFAOYSA-N 1 3 352.519 2.421 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@@H]3C(F)F)CC2)CC1 ZINC000507255511 561722682 /nfs/dbraw/zinc/72/26/82/561722682.db2.gz SRLZKYNWSFZLJQ-MRXNPFEDSA-N 1 3 358.477 2.374 20 0 FEADHO COCC(=O)N1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000507472331 561730274 /nfs/dbraw/zinc/73/02/74/561730274.db2.gz QUXAGWYZLRKHDO-CEWLAPEOSA-N 1 3 371.525 2.124 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccnn3C3CCCC3)CC2)CC1 ZINC000330153038 554075011 /nfs/dbraw/zinc/07/50/11/554075011.db2.gz OAPNAUTVAIFEGU-UHFFFAOYSA-N 1 3 359.518 2.287 20 0 FEADHO C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331195686 554228694 /nfs/dbraw/zinc/22/86/94/554228694.db2.gz NKJVVRIRYVYZCJ-HZPDHXFCSA-N 1 3 353.532 2.147 20 0 FEADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCNc1cc[nH+]cc1)N(C)C ZINC000508849286 561775283 /nfs/dbraw/zinc/77/52/83/561775283.db2.gz QNCOZZJPULDFME-QFBILLFUSA-N 1 3 355.486 2.214 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)NCC3([NH3+])CCCCC3)CC2)C[C@@H](C)O1 ZINC000331956574 554352443 /nfs/dbraw/zinc/35/24/43/554352443.db2.gz IYGOODFBTWPLRK-IAGOWNOFSA-N 1 3 366.550 2.179 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000510541518 561838333 /nfs/dbraw/zinc/83/83/33/561838333.db2.gz ZCBSMEWMLIFPHL-RBUKOAKNSA-N 1 3 362.518 2.042 20 0 FEADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000333119109 554575166 /nfs/dbraw/zinc/57/51/66/554575166.db2.gz AICYLKZXVGDDBV-HOTGVXAUSA-N 1 3 354.564 2.035 20 0 FEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333161592 554581996 /nfs/dbraw/zinc/58/19/96/554581996.db2.gz GMXFAGWZHHPYDJ-CEXWTWQISA-N 1 3 366.550 2.179 20 0 FEADHO C[C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C[C@@H]1C[NH3+] ZINC000333444880 554614042 /nfs/dbraw/zinc/61/40/42/554614042.db2.gz WPQZXCCWVLPCMV-SJORKVTESA-N 1 3 368.591 2.364 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000333580539 554625420 /nfs/dbraw/zinc/62/54/20/554625420.db2.gz NQVRSUDTROYPMI-JUSBFGHESA-N 1 3 356.514 2.276 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](N(C)Cc3ccccn3)CC2)CC[NH2+]1 ZINC000333772937 554641763 /nfs/dbraw/zinc/64/17/63/554641763.db2.gz CITPCULAJPRQQQ-LMMKCTJWSA-N 1 3 359.518 2.218 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000333819737 554646532 /nfs/dbraw/zinc/64/65/32/554646532.db2.gz KSJVSUADJASTNP-BHIYHBOVSA-N 1 3 359.518 2.076 20 0 FEADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccncc1F ZINC000511475781 561870374 /nfs/dbraw/zinc/87/03/74/561870374.db2.gz PURFSUXTARPXPN-CQSZACIVSA-N 1 3 363.481 2.140 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000363081379 555026080 /nfs/dbraw/zinc/02/60/80/555026080.db2.gz PZCXFWYFMGICOJ-CTNGQTDRSA-N 1 3 370.541 2.250 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000363081379 555026082 /nfs/dbraw/zinc/02/60/82/555026082.db2.gz PZCXFWYFMGICOJ-CTNGQTDRSA-N 1 3 370.541 2.250 20 0 FEADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000511777660 561880200 /nfs/dbraw/zinc/88/02/00/561880200.db2.gz BUWFKXJAVSXOSP-UTKZUKDTSA-N 1 3 369.509 2.202 20 0 FEADHO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000511777661 561880311 /nfs/dbraw/zinc/88/03/11/561880311.db2.gz BUWFKXJAVSXOSP-UWJYYQICSA-N 1 3 369.509 2.202 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000363593890 555143824 /nfs/dbraw/zinc/14/38/24/555143824.db2.gz SDAXWULTEGMFCN-NCXUSEDFSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000363593890 555143825 /nfs/dbraw/zinc/14/38/25/555143825.db2.gz SDAXWULTEGMFCN-NCXUSEDFSA-N 1 3 366.550 2.002 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)CC(C)C ZINC000364126548 555255000 /nfs/dbraw/zinc/25/50/00/555255000.db2.gz PUQRRWXJCGQSHI-OGNFBWPZSA-N 1 3 353.551 2.392 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)CC(C)C ZINC000364126549 555255281 /nfs/dbraw/zinc/25/52/81/555255281.db2.gz PUQRRWXJCGQSHI-PFRQMTDMSA-N 1 3 353.551 2.392 20 0 FEADHO COCCCN1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000364371625 555300756 /nfs/dbraw/zinc/30/07/56/555300756.db2.gz IFMWGVPYHHUDBA-SFHVURJKSA-N 1 3 351.535 2.212 20 0 FEADHO COCCCN1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000364371625 555300759 /nfs/dbraw/zinc/30/07/59/555300759.db2.gz IFMWGVPYHHUDBA-SFHVURJKSA-N 1 3 351.535 2.212 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(OC)c(F)c1 ZINC000512409143 561903688 /nfs/dbraw/zinc/90/36/88/561903688.db2.gz BTEIQNWYFGKLOM-QGZVFWFLSA-N 1 3 365.493 2.251 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(OC)c(F)c1 ZINC000512409143 561903689 /nfs/dbraw/zinc/90/36/89/561903689.db2.gz BTEIQNWYFGKLOM-QGZVFWFLSA-N 1 3 365.493 2.251 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(OC)c(F)c1 ZINC000512409141 561903720 /nfs/dbraw/zinc/90/37/20/561903720.db2.gz BTEIQNWYFGKLOM-KRWDZBQOSA-N 1 3 365.493 2.251 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(OC)c(F)c1 ZINC000512409141 561903722 /nfs/dbraw/zinc/90/37/22/561903722.db2.gz BTEIQNWYFGKLOM-KRWDZBQOSA-N 1 3 365.493 2.251 20 0 FEADHO COCC[NH2+]CC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000364849412 555415301 /nfs/dbraw/zinc/41/53/01/555415301.db2.gz HDPDGGVIIJHGAA-CRAIPNDOSA-N 1 3 353.894 2.075 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000365321747 555541711 /nfs/dbraw/zinc/54/17/11/555541711.db2.gz HSDFTMIFJZIQLV-AQNXPRMDSA-N 1 3 356.514 2.244 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000365321747 555541713 /nfs/dbraw/zinc/54/17/13/555541713.db2.gz HSDFTMIFJZIQLV-AQNXPRMDSA-N 1 3 356.514 2.244 20 0 FEADHO COC1(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)CCOCC1 ZINC000365436305 555575536 /nfs/dbraw/zinc/57/55/36/555575536.db2.gz ZBRNFGWCOISCSJ-HDICACEKSA-N 1 3 354.535 2.393 20 0 FEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000365458036 555580858 /nfs/dbraw/zinc/58/08/58/555580858.db2.gz VJWKRYROUSYIOZ-ZWKOTPCHSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000365458036 555580861 /nfs/dbraw/zinc/58/08/61/555580861.db2.gz VJWKRYROUSYIOZ-ZWKOTPCHSA-N 1 3 366.550 2.003 20 0 FEADHO O=S1(=O)CCC([NH2+]CC2CCN(CCc3ccccc3)CC2)CC1 ZINC000365811245 555672610 /nfs/dbraw/zinc/67/26/10/555672610.db2.gz BYFYVBQTDUWRJQ-UHFFFAOYSA-N 1 3 350.528 2.108 20 0 FEADHO CCc1csc(CC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)n1 ZINC000513557599 561942742 /nfs/dbraw/zinc/94/27/42/561942742.db2.gz WJEBEQSMMAHFEO-MRXNPFEDSA-N 1 3 352.548 2.123 20 0 FEADHO CCc1csc(CC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)n1 ZINC000513557599 561942744 /nfs/dbraw/zinc/94/27/44/561942744.db2.gz WJEBEQSMMAHFEO-MRXNPFEDSA-N 1 3 352.548 2.123 20 0 FEADHO CN1CCN(C(=O)CCN2CCC[C@@H]([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000367274565 556005516 /nfs/dbraw/zinc/00/55/16/556005516.db2.gz NHAUPBHOKSBZOY-OAQYLSRUSA-N 1 3 372.557 2.137 20 0 FEADHO CN1CCN(C(=O)CCN2CCC[C@@H]([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000367274565 556005519 /nfs/dbraw/zinc/00/55/19/556005519.db2.gz NHAUPBHOKSBZOY-OAQYLSRUSA-N 1 3 372.557 2.137 20 0 FEADHO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000367274565 556005522 /nfs/dbraw/zinc/00/55/22/556005522.db2.gz NHAUPBHOKSBZOY-OAQYLSRUSA-N 1 3 372.557 2.137 20 0 FEADHO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000367274565 556005527 /nfs/dbraw/zinc/00/55/27/556005527.db2.gz NHAUPBHOKSBZOY-OAQYLSRUSA-N 1 3 372.557 2.137 20 0 FEADHO Cc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(OCCN(C)C)c1 ZINC000514660837 561972007 /nfs/dbraw/zinc/97/20/07/561972007.db2.gz BCZQJHWZQRRICK-IXDOHACOSA-N 1 3 360.502 2.445 20 0 FEADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000367451590 556053790 /nfs/dbraw/zinc/05/37/90/556053790.db2.gz RLDMABDRYWSHKG-KRWDZBQOSA-N 1 3 351.516 2.055 20 0 FEADHO CC[NH+](CC)CCSCC(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000367548946 556079727 /nfs/dbraw/zinc/07/97/27/556079727.db2.gz GJTGUCNKCNERSX-UHFFFAOYSA-N 1 3 367.563 2.383 20 0 FEADHO CC(C)(C)N1CC[C@](F)(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000368153682 556231503 /nfs/dbraw/zinc/23/15/03/556231503.db2.gz ULIOADMUBHMFDU-ABSDTBQOSA-N 1 3 369.525 2.083 20 0 FEADHO C[C@H]([NH2+][C@H]1CSC[C@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000368494908 556326225 /nfs/dbraw/zinc/32/62/25/556326225.db2.gz HJQDRYOQNAUOJP-GJYPPUQNSA-N 1 3 361.555 2.497 20 0 FEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000369028230 556481504 /nfs/dbraw/zinc/48/15/04/556481504.db2.gz PIJMMSOBWKPLAR-UXHICEINSA-N 1 3 374.529 2.189 20 0 FEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000369028230 556481508 /nfs/dbraw/zinc/48/15/08/556481508.db2.gz PIJMMSOBWKPLAR-UXHICEINSA-N 1 3 374.529 2.189 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(CN(C)C)cc2)CC1=O ZINC000369038584 556485206 /nfs/dbraw/zinc/48/52/06/556485206.db2.gz MPSQFBBPTMMSFU-MJGOQNOKSA-N 1 3 372.513 2.020 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(CN(C)C)cc2)CC1=O ZINC000369038584 556485209 /nfs/dbraw/zinc/48/52/09/556485209.db2.gz MPSQFBBPTMMSFU-MJGOQNOKSA-N 1 3 372.513 2.020 20 0 FEADHO C[C@H](CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)C[NH+]1CCCC1 ZINC000369200175 556533695 /nfs/dbraw/zinc/53/36/95/556533695.db2.gz FWHKYPFUOYBOSC-UYAOXDASSA-N 1 3 373.545 2.325 20 0 FEADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369395629 556589770 /nfs/dbraw/zinc/58/97/70/556589770.db2.gz OJXHWHKNLHFNTN-WOJBJXKFSA-N 1 3 373.545 2.277 20 0 FEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369395629 556589771 /nfs/dbraw/zinc/58/97/71/556589771.db2.gz OJXHWHKNLHFNTN-WOJBJXKFSA-N 1 3 373.545 2.277 20 0 FEADHO O=C(NC1CC[NH+](Cc2cccs2)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000369870755 556717921 /nfs/dbraw/zinc/71/79/21/556717921.db2.gz HBNTVGVNOUUJIQ-KRWDZBQOSA-N 1 3 360.527 2.368 20 0 FEADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000369874187 556718126 /nfs/dbraw/zinc/71/81/26/556718126.db2.gz OTDXOOHAUCAVNK-CEXWTWQISA-N 1 3 366.550 2.003 20 0 FEADHO CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369988001 556750279 /nfs/dbraw/zinc/75/02/79/556750279.db2.gz UKGTWFALMFPMOC-IBGZPJMESA-N 1 3 361.534 2.325 20 0 FEADHO CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369988001 556750281 /nfs/dbraw/zinc/75/02/81/556750281.db2.gz UKGTWFALMFPMOC-IBGZPJMESA-N 1 3 361.534 2.325 20 0 FEADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@H]1CCCCC[NH2+]1 ZINC000516573361 562048919 /nfs/dbraw/zinc/04/89/19/562048919.db2.gz WZINEAILZKBRTB-HXUWFJFHSA-N 1 3 358.530 2.237 20 0 FEADHO CC1CC[NH+](CCCNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC000370051163 556767449 /nfs/dbraw/zinc/76/74/49/556767449.db2.gz BNGRSNSOMOKGQO-SFHVURJKSA-N 1 3 366.550 2.003 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000516634570 562052001 /nfs/dbraw/zinc/05/20/01/562052001.db2.gz QDDWZLBFMPGTIW-GGPKGHCWSA-N 1 3 374.529 2.327 20 0 FEADHO Cc1cccc(C(=O)NCCN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000370676645 556937224 /nfs/dbraw/zinc/93/72/24/556937224.db2.gz MTMZBVOWHRYXJC-MISYRCLQSA-N 1 3 359.514 2.204 20 0 FEADHO Cc1cccc(C(=O)NCCN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000370676645 556937225 /nfs/dbraw/zinc/93/72/25/556937225.db2.gz MTMZBVOWHRYXJC-MISYRCLQSA-N 1 3 359.514 2.204 20 0 FEADHO CO[C@@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000371744112 557280926 /nfs/dbraw/zinc/28/09/26/557280926.db2.gz PMOUKHUYKBABTL-HXUWFJFHSA-N 1 3 359.514 2.400 20 0 FEADHO C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC1=CCN(C)CC1 ZINC000372140112 557390259 /nfs/dbraw/zinc/39/02/59/557390259.db2.gz KBJRKQQHJSKUMZ-DOTOQJQBSA-N 1 3 353.507 2.252 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCC[C@@H](N)C3)CC2)cc1 ZINC000518994658 562122927 /nfs/dbraw/zinc/12/29/27/562122927.db2.gz CAIFVFQHWPTAQJ-WBVHZDCISA-N 1 3 351.516 2.008 20 0 FEADHO C[C@@H](C(=O)N1CCc2ccccc21)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372364961 557450916 /nfs/dbraw/zinc/45/09/16/557450916.db2.gz ICZGGJMSOFBLHP-FXAWDEMLSA-N 1 3 370.541 2.065 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cccc(OCCN(C)C)c1 ZINC000372781265 557561157 /nfs/dbraw/zinc/56/11/57/557561157.db2.gz MTEKQBWYTKRSBT-FUHWJXTLSA-N 1 3 357.502 2.290 20 0 FEADHO CN1CC[C@H](CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)[C@H]1c1cccs1 ZINC000372823449 557569843 /nfs/dbraw/zinc/56/98/43/557569843.db2.gz IQVUQFGJXBWTHJ-RKVPGOIHSA-N 1 3 373.526 2.292 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CC4(CC4)C(=O)O3)CC2)C[C@@H](C)O1 ZINC000373034280 557614147 /nfs/dbraw/zinc/61/41/47/557614147.db2.gz IBJXXIBQBVHDJA-JFIYKMOQSA-N 1 3 350.503 2.293 20 0 FEADHO CN1CCN(CCCCNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000519867732 562147180 /nfs/dbraw/zinc/14/71/80/562147180.db2.gz MNEANNVUXHKZSQ-FQEVSTJZSA-N 1 3 373.545 2.385 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000373357472 557678497 /nfs/dbraw/zinc/67/84/97/557678497.db2.gz CDPFEBFQQRLEPE-QZTJIDSGSA-N 1 3 363.546 2.353 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000373357472 557678500 /nfs/dbraw/zinc/67/85/00/557678500.db2.gz CDPFEBFQQRLEPE-QZTJIDSGSA-N 1 3 363.546 2.353 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@@H](C)n4ccnc43)CC2)CC1 ZINC000520608127 562160156 /nfs/dbraw/zinc/16/01/56/562160156.db2.gz RQNFEZRKUFWLMN-CRAIPNDOSA-N 1 3 359.518 2.201 20 0 FEADHO C[C@@H](NC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)C1=CC[N@H+](C)CC1 ZINC000374753435 557925937 /nfs/dbraw/zinc/92/59/37/557925937.db2.gz LGMZKPPRKCNNDM-MJGOQNOKSA-N 1 3 371.529 2.243 20 0 FEADHO C[C@@H](NC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)C1=CC[N@@H+](C)CC1 ZINC000374753435 557925938 /nfs/dbraw/zinc/92/59/38/557925938.db2.gz LGMZKPPRKCNNDM-MJGOQNOKSA-N 1 3 371.529 2.243 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000521522328 562177925 /nfs/dbraw/zinc/17/79/25/562177925.db2.gz YHBPURUCMPDMIR-IBGZPJMESA-N 1 3 374.529 2.049 20 0 FEADHO [NH3+]CCc1nc(C(=O)NC[C@@H]2CCCN2CCc2ccccc2)cs1 ZINC000375644851 558061625 /nfs/dbraw/zinc/06/16/25/558061625.db2.gz OSYFXYCSYLZJLC-INIZCTEOSA-N 1 3 358.511 2.081 20 0 FEADHO Cc1ccc(NC(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c(OCCN(C)C)c1 ZINC000376177075 558137039 /nfs/dbraw/zinc/13/70/39/558137039.db2.gz FCKMPBHCNMNBSL-SJLPKXTDSA-N 1 3 360.502 2.493 20 0 FEADHO Cc1ccc(NC(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c(OCCN(C)C)c1 ZINC000376177075 558137041 /nfs/dbraw/zinc/13/70/41/558137041.db2.gz FCKMPBHCNMNBSL-SJLPKXTDSA-N 1 3 360.502 2.493 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)C3CCOCC3)CC2)CC1 ZINC000377087185 558263371 /nfs/dbraw/zinc/26/33/71/558263371.db2.gz UKONJQKSDJBZAX-UHFFFAOYSA-N 1 3 351.535 2.114 20 0 FEADHO COc1cccc(C2(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC2)c1 ZINC000377123999 558271024 /nfs/dbraw/zinc/27/10/24/558271024.db2.gz BWRYJXROVWYVFD-UHFFFAOYSA-N 1 3 371.525 2.402 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000377202181 558287384 /nfs/dbraw/zinc/28/73/84/558287384.db2.gz SRMYAOWQCVBLKO-JYLXEMOASA-N 1 3 367.493 2.488 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H]([NH+](C)C)CC3)cc2)CC1 ZINC000377291604 558307978 /nfs/dbraw/zinc/30/79/78/558307978.db2.gz MFPWGSHCUUJSTH-IBGZPJMESA-N 1 3 358.530 2.385 20 0 FEADHO CCO[C@H]1C[C@H](NCc2ccncc2OCC[NH+](C)C)C12CCOCC2 ZINC000377569711 558367913 /nfs/dbraw/zinc/36/79/13/558367913.db2.gz XAODVOOZKVOCGC-OALUTQOASA-N 1 3 363.502 2.086 20 0 FEADHO Cc1cc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1-n1cncn1 ZINC000377620542 558378656 /nfs/dbraw/zinc/37/86/56/558378656.db2.gz DZZBYZQVSJGBNU-FQEVSTJZSA-N 1 3 368.529 2.176 20 0 FEADHO Cc1cc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)ccc1-n1cncn1 ZINC000377620542 558378657 /nfs/dbraw/zinc/37/86/57/558378657.db2.gz DZZBYZQVSJGBNU-FQEVSTJZSA-N 1 3 368.529 2.176 20 0 FEADHO CC(C)(C)OC(=O)NCCOCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000377820724 558426407 /nfs/dbraw/zinc/42/64/07/558426407.db2.gz HKHFNKFXBKWJQB-FUHWJXTLSA-N 1 3 367.534 2.476 20 0 FEADHO CC(C)(C)OC(=O)NCCOCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000377820724 558426409 /nfs/dbraw/zinc/42/64/09/558426409.db2.gz HKHFNKFXBKWJQB-FUHWJXTLSA-N 1 3 367.534 2.476 20 0 FEADHO COCCN1CC[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000523428636 562212866 /nfs/dbraw/zinc/21/28/66/562212866.db2.gz WQHMWJBJBWNIGZ-SFHVURJKSA-N 1 3 366.550 2.195 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCN2CCCC[C@H]2C)[C@@H](C)C1 ZINC000523766651 562219293 /nfs/dbraw/zinc/21/92/93/562219293.db2.gz QSDGAJRTPBQNRP-OTWHNJEPSA-N 1 3 368.566 2.297 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCCN2CCCC[C@H]2C)[C@@H](C)C1 ZINC000523766651 562219294 /nfs/dbraw/zinc/21/92/94/562219294.db2.gz QSDGAJRTPBQNRP-OTWHNJEPSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000389879162 558610208 /nfs/dbraw/zinc/61/02/08/558610208.db2.gz NGKWQLDFTFXFMN-JHRANDQASA-N 1 3 371.525 2.156 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000389879162 558610211 /nfs/dbraw/zinc/61/02/11/558610211.db2.gz NGKWQLDFTFXFMN-JHRANDQASA-N 1 3 371.525 2.156 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000524627298 562231220 /nfs/dbraw/zinc/23/12/20/562231220.db2.gz VIJCGAQJULKOMN-OALUTQOASA-N 1 3 362.518 2.042 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000525105235 562240714 /nfs/dbraw/zinc/24/07/14/562240714.db2.gz APZQVJFWOLYTBP-IEBWSBKVSA-N 1 3 358.530 2.430 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000525105235 562240715 /nfs/dbraw/zinc/24/07/15/562240715.db2.gz APZQVJFWOLYTBP-IEBWSBKVSA-N 1 3 358.530 2.430 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1CN(C)C ZINC000411120511 558840542 /nfs/dbraw/zinc/84/05/42/558840542.db2.gz PDKXGCALJOUKPY-UHFFFAOYSA-N 1 3 374.529 2.421 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)ccc1C[NH+](C)C ZINC000411139233 558843912 /nfs/dbraw/zinc/84/39/12/558843912.db2.gz VZAJGUIJHXDKCL-WBVHZDCISA-N 1 3 374.529 2.232 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000411476343 558901438 /nfs/dbraw/zinc/90/14/38/558901438.db2.gz OETOTBVJDUWCNJ-MRXNPFEDSA-N 1 3 355.486 2.123 20 0 FEADHO CCO[C@@H]1C[C@H](NCC(=O)NC2CC[NH+](CC)CC2)C12CCCCC2 ZINC000411632853 558932662 /nfs/dbraw/zinc/93/26/62/558932662.db2.gz QWHAMNZFUBJYOG-ZWKOTPCHSA-N 1 3 351.535 2.304 20 0 FEADHO COc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1OC(C)C ZINC000525890296 562258691 /nfs/dbraw/zinc/25/86/91/562258691.db2.gz IJHKVIHESQNLSF-UHFFFAOYSA-N 1 3 366.506 2.440 20 0 FEADHO CCOc1ccc(F)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1F ZINC000525890744 562258789 /nfs/dbraw/zinc/25/87/89/562258789.db2.gz GIYUMNWIWYRXLK-UHFFFAOYSA-N 1 3 358.433 2.321 20 0 FEADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC000412679428 559050054 /nfs/dbraw/zinc/05/00/54/559050054.db2.gz WULLEMKVCWTIHY-AQNXPRMDSA-N 1 3 361.530 2.226 20 0 FEADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC000412679428 559050055 /nfs/dbraw/zinc/05/00/55/559050055.db2.gz WULLEMKVCWTIHY-AQNXPRMDSA-N 1 3 361.530 2.226 20 0 FEADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414180461 559151694 /nfs/dbraw/zinc/15/16/94/559151694.db2.gz BDUDWUNCWDHSLT-QUCCMNQESA-N 1 3 361.530 2.149 20 0 FEADHO COc1cc([C@@H](C)NCC[C@H]2CCC[N@H+](C)C2)ccc1S(C)(=O)=O ZINC000414189159 559152298 /nfs/dbraw/zinc/15/22/98/559152298.db2.gz RCYPRKFNRZXFTR-HUUCEWRRSA-N 1 3 354.516 2.481 20 0 FEADHO COc1cc([C@@H](C)NCC[C@H]2CCC[N@@H+](C)C2)ccc1S(C)(=O)=O ZINC000414189159 559152299 /nfs/dbraw/zinc/15/22/99/559152299.db2.gz RCYPRKFNRZXFTR-HUUCEWRRSA-N 1 3 354.516 2.481 20 0 FEADHO CCO[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C12CCCC2 ZINC000414196977 559152374 /nfs/dbraw/zinc/15/23/74/559152374.db2.gz OZCBIUQYSRQZDM-OALUTQOASA-N 1 3 365.562 2.110 20 0 FEADHO CN1CCC(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)(N2CCOCC2)CC1 ZINC000414191395 559152545 /nfs/dbraw/zinc/15/25/45/559152545.db2.gz LLQRDUONYRVCRD-IBGZPJMESA-N 1 3 363.933 2.193 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000414291952 559155075 /nfs/dbraw/zinc/15/50/75/559155075.db2.gz UOIVEDFZAAMBCD-MRXNPFEDSA-N 1 3 359.493 2.435 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000414324685 559156278 /nfs/dbraw/zinc/15/62/78/559156278.db2.gz JECGLJZOXJJJST-AWEZNQCLSA-N 1 3 355.429 2.371 20 0 FEADHO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000414685052 559179415 /nfs/dbraw/zinc/17/94/15/559179415.db2.gz XQIOCZQCQDGEHU-WBVHZDCISA-N 1 3 361.486 2.038 20 0 FEADHO COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000414685052 559179417 /nfs/dbraw/zinc/17/94/17/559179417.db2.gz XQIOCZQCQDGEHU-WBVHZDCISA-N 1 3 361.486 2.038 20 0 FEADHO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000414684344 559179464 /nfs/dbraw/zinc/17/94/64/559179464.db2.gz VIICSWIUGZLKFQ-QAPCUYQASA-N 1 3 361.486 2.038 20 0 FEADHO COc1ccc(OC)c([C@@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000414684344 559179465 /nfs/dbraw/zinc/17/94/65/559179465.db2.gz VIICSWIUGZLKFQ-QAPCUYQASA-N 1 3 361.486 2.038 20 0 FEADHO CC[NH+](CC)CCN(Cc1cccs1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414683721 559179526 /nfs/dbraw/zinc/17/95/26/559179526.db2.gz UHEWWFXUZUZRMN-QGZVFWFLSA-N 1 3 366.575 2.089 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000414687737 559179715 /nfs/dbraw/zinc/17/97/15/559179715.db2.gz HYUQFOABCITXAN-CALCHBBNSA-N 1 3 374.529 2.219 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000414687737 559179716 /nfs/dbraw/zinc/17/97/16/559179716.db2.gz HYUQFOABCITXAN-CALCHBBNSA-N 1 3 374.529 2.219 20 0 FEADHO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNC2)[NH+]1CCC(C)CC1 ZINC000414695906 559180352 /nfs/dbraw/zinc/18/03/52/559180352.db2.gz GBKQKZMLSUEZNU-LJQANCHMSA-N 1 3 372.513 2.101 20 0 FEADHO CCC[C@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CCN1Cc1ccccc1 ZINC000414705556 559181050 /nfs/dbraw/zinc/18/10/50/559181050.db2.gz KPDBICXVDCHVDR-RTWAWAEBSA-N 1 3 372.557 2.170 20 0 FEADHO CCC[C@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CCN1Cc1ccccc1 ZINC000414705556 559181051 /nfs/dbraw/zinc/18/10/51/559181051.db2.gz KPDBICXVDCHVDR-RTWAWAEBSA-N 1 3 372.557 2.170 20 0 FEADHO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414731423 559182985 /nfs/dbraw/zinc/18/29/85/559182985.db2.gz BSYNZGWKSJSWOR-DEYYWGMASA-N 1 3 353.894 2.203 20 0 FEADHO C[C@H]1C[C@@H](CN2CCN(Cc3nc(-c4cccs4)no3)CC2)CC[NH2+]1 ZINC000414746429 559184471 /nfs/dbraw/zinc/18/44/71/559184471.db2.gz ZAHXSTQFGFPPEX-GJZGRUSLSA-N 1 3 361.515 2.304 20 0 FEADHO C[C@@H]1C[C@@H](CN(C)CCCOc2cccc(S(C)(=O)=O)c2)CC[NH2+]1 ZINC000414754431 559185267 /nfs/dbraw/zinc/18/52/67/559185267.db2.gz XXUGYTWUEMOMRC-CVEARBPZSA-N 1 3 354.516 2.179 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000414924354 559195524 /nfs/dbraw/zinc/19/55/24/559195524.db2.gz JYQTWCQOTNZOKF-UHFFFAOYSA-N 1 3 372.513 2.258 20 0 FEADHO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415064380 559203251 /nfs/dbraw/zinc/20/32/51/559203251.db2.gz CKMMBRXBOSPWQJ-KRWDZBQOSA-N 1 3 362.543 2.399 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415063552 559203263 /nfs/dbraw/zinc/20/32/63/559203263.db2.gz AEXQOAIYRMADCT-AEFFLSMTSA-N 1 3 360.527 2.104 20 0 FEADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415063627 559203364 /nfs/dbraw/zinc/20/33/64/559203364.db2.gz AQUHLEHHFRXOTG-DOTOQJQBSA-N 1 3 362.543 2.479 20 0 FEADHO CN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@H](C[NH3+])C1CC1 ZINC000415069587 559203792 /nfs/dbraw/zinc/20/37/92/559203792.db2.gz PDWFIRZVGHRECS-GOSISDBHSA-N 1 3 362.543 2.479 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH2+]Cc2cccnc2Oc2cccc(F)c2)C1 ZINC000415074042 559204011 /nfs/dbraw/zinc/20/40/11/559204011.db2.gz BTUPBJRNMCVGCP-OAHLLOKOSA-N 1 3 372.444 2.300 20 0 FEADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000415113044 559205984 /nfs/dbraw/zinc/20/59/84/559205984.db2.gz WEMAAPBYWDFWAI-WOZUAGRISA-N 1 3 371.504 2.415 20 0 FEADHO O=C1N[C@@H]2CN(CCCCOc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415140874 559208179 /nfs/dbraw/zinc/20/81/79/559208179.db2.gz NUQQURLOSJBBGS-WOJBJXKFSA-N 1 3 372.513 2.066 20 0 FEADHO C[C@H](CN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000415144025 559208625 /nfs/dbraw/zinc/20/86/25/559208625.db2.gz UMEQLKRALSXNFF-NIKGAXFTSA-N 1 3 360.477 2.149 20 0 FEADHO C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000415362547 559227741 /nfs/dbraw/zinc/22/77/41/559227741.db2.gz VSLDAFBMCMQMSJ-WMZOPIPTSA-N 1 3 372.513 2.115 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000415580361 559252200 /nfs/dbraw/zinc/25/22/00/559252200.db2.gz LWCSMJSJLUERDV-WDSOQIARSA-N 1 3 372.513 2.053 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)c(N)c1 ZINC000415843083 559277615 /nfs/dbraw/zinc/27/76/15/559277615.db2.gz SCAXZZRFTCTUIG-INIZCTEOSA-N 1 3 363.506 2.157 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)c(N)c1 ZINC000415843083 559277616 /nfs/dbraw/zinc/27/76/16/559277616.db2.gz SCAXZZRFTCTUIG-INIZCTEOSA-N 1 3 363.506 2.157 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc(OCC[NH3+])cc2)cc1 ZINC000415943700 559283691 /nfs/dbraw/zinc/28/36/91/559283691.db2.gz FRWZMLAYLMFTGT-LJQANCHMSA-N 1 3 372.469 2.457 20 0 FEADHO CC1CCC(N2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC2)CC1 ZINC000416016015 559289202 /nfs/dbraw/zinc/28/92/02/559289202.db2.gz WQHLMUADQPJBGT-RUXDESIVSA-N 1 3 350.429 2.172 20 0 FEADHO CN(C)[C@H](CC(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000416151727 559294765 /nfs/dbraw/zinc/29/47/65/559294765.db2.gz RXNKKCRZEPBFMU-LJQANCHMSA-N 1 3 359.514 2.441 20 0 FEADHO COc1ccc([C@H](CNC(=O)NCC[C@@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000416827070 559333995 /nfs/dbraw/zinc/33/39/95/559333995.db2.gz QRJHTZBRIWJFBP-LPHOPBHVSA-N 1 3 360.502 2.131 20 0 FEADHO COc1ccc([C@H](CNC(=O)NCC[C@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000416827069 559334087 /nfs/dbraw/zinc/33/40/87/559334087.db2.gz QRJHTZBRIWJFBP-APWZRJJASA-N 1 3 360.502 2.131 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000416829591 559334224 /nfs/dbraw/zinc/33/42/24/559334224.db2.gz TXDFTBFCZBHKJR-VQIMIIECSA-N 1 3 360.502 2.131 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)N2CCCC2)cc1 ZINC000416832195 559334375 /nfs/dbraw/zinc/33/43/75/559334375.db2.gz VUHRFPRTGAAGOS-JKSUJKDBSA-N 1 3 370.444 2.114 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000416843520 559334754 /nfs/dbraw/zinc/33/47/54/559334754.db2.gz OUFTVHLWEWBTES-PMACEKPBSA-N 1 3 358.530 2.333 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1cccc(OC)c1 ZINC000416905904 559337441 /nfs/dbraw/zinc/33/74/41/559337441.db2.gz GRDGPCDZNPHJFN-TZIWHRDSSA-N 1 3 374.529 2.473 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1cccc(OC)c1 ZINC000416919950 559338303 /nfs/dbraw/zinc/33/83/03/559338303.db2.gz KLEVGLJACLJALQ-YSIASYRMSA-N 1 3 374.529 2.472 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1cccc(OC)c1 ZINC000416926617 559338797 /nfs/dbraw/zinc/33/87/97/559338797.db2.gz ROTPFMBPIDFHAU-KFKAGJAMSA-N 1 3 362.518 2.457 20 0 FEADHO C[C@@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000416970314 559340870 /nfs/dbraw/zinc/34/08/70/559340870.db2.gz DWQZHOYAFWKWCW-IEBWSBKVSA-N 1 3 358.530 2.320 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000416970004 559340906 /nfs/dbraw/zinc/34/09/06/559340906.db2.gz CYZGZLUAXAENCX-QUCCMNQESA-N 1 3 356.514 2.353 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417012408 559343723 /nfs/dbraw/zinc/34/37/23/559343723.db2.gz AIQSMMSGDBBNFT-HXUWFJFHSA-N 1 3 370.541 2.466 20 0 FEADHO CC[C@@H](CNC(=O)NCCC1=CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000417016223 559343908 /nfs/dbraw/zinc/34/39/08/559343908.db2.gz OBNHAMFGPLLEFI-FQEVSTJZSA-N 1 3 356.514 2.432 20 0 FEADHO CN(C(=O)NCCCN1CCc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417037106 559345174 /nfs/dbraw/zinc/34/51/74/559345174.db2.gz TZITYSUXVKYAHL-YOFSQIOKSA-N 1 3 356.514 2.359 20 0 FEADHO C[C@@H]1CCC[C@@](CNC(=O)NCCCNCc2cccnc2)([NH+](C)C)C1 ZINC000417218963 559353566 /nfs/dbraw/zinc/35/35/66/559353566.db2.gz UTLVBOMZHHVNTO-YLJYHZDGSA-N 1 3 361.534 2.371 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)NCCC[NH2+]C3CC3)CC2)cc1 ZINC000417336117 559358216 /nfs/dbraw/zinc/35/82/16/559358216.db2.gz UZKSVBBHBNYZOE-UHFFFAOYSA-N 1 3 374.529 2.349 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000417369355 559359724 /nfs/dbraw/zinc/35/97/24/559359724.db2.gz RZRLBLJDKQKIEN-UHFFFAOYSA-N 1 3 368.481 2.230 20 0 FEADHO C[C@H]1NCCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@@H]1C ZINC000417380481 559360028 /nfs/dbraw/zinc/36/00/28/559360028.db2.gz KLIZVWSYHSCAMH-HUUCEWRRSA-N 1 3 350.532 2.352 20 0 FEADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417503125 559364945 /nfs/dbraw/zinc/36/49/45/559364945.db2.gz CFLONQLTTKAAPB-VQIMIIECSA-N 1 3 362.518 2.081 20 0 FEADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417594828 559368602 /nfs/dbraw/zinc/36/86/02/559368602.db2.gz NBPSMDQFBCHZPK-QZTJIDSGSA-N 1 3 360.502 2.088 20 0 FEADHO C[NH2+][C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000417604571 559369126 /nfs/dbraw/zinc/36/91/26/559369126.db2.gz CBZOWDIAZYNKOL-MRXNPFEDSA-N 1 3 354.564 2.132 20 0 FEADHO C[C@H]1NCCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)[C@H]1C ZINC000417624251 559369410 /nfs/dbraw/zinc/36/94/10/559369410.db2.gz JWGPIKSUCMVPDR-CVEARBPZSA-N 1 3 354.564 2.130 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)Cc2ccccc2C1 ZINC000417730291 559374436 /nfs/dbraw/zinc/37/44/36/559374436.db2.gz DMKKWYCFOIPMHV-VQTJNVASSA-N 1 3 370.541 2.117 20 0 FEADHO O=C(NCCCNCc1cccnc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000417814387 559377312 /nfs/dbraw/zinc/37/73/12/559377312.db2.gz ASPMSYBSNBFVBV-UHFFFAOYSA-N 1 3 359.518 2.268 20 0 FEADHO CN(C)[C@@]1(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCSC1 ZINC000417828242 559377993 /nfs/dbraw/zinc/37/79/93/559377993.db2.gz OQTYYYYIMXWDDI-SJLPKXTDSA-N 1 3 350.532 2.203 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CN1Cc1ccccc1 ZINC000417866682 559379960 /nfs/dbraw/zinc/37/99/60/559379960.db2.gz DWZAKDXNACTIJR-QFUCXCTJSA-N 1 3 356.514 2.435 20 0 FEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000418104166 559390193 /nfs/dbraw/zinc/39/01/93/559390193.db2.gz JYAGMXMBXNSPTE-CZWNDGCPSA-N 1 3 362.440 2.184 20 0 FEADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000418112800 559390494 /nfs/dbraw/zinc/39/04/94/559390494.db2.gz ZEMQXTYKMPGPPH-CZWNDGCPSA-N 1 3 362.440 2.184 20 0 FEADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000418128191 559391210 /nfs/dbraw/zinc/39/12/10/559391210.db2.gz ACQFHAFOEYALIN-UXHICEINSA-N 1 3 356.514 2.433 20 0 FEADHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@H]1CNCCC1(F)F)C1CC1 ZINC000418143649 559391818 /nfs/dbraw/zinc/39/18/18/559391818.db2.gz MKDVNTRHODFABS-IRXDYDNUSA-N 1 3 366.456 2.193 20 0 FEADHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@H]1CNCCC1(F)F)C1CC1 ZINC000418143649 559391819 /nfs/dbraw/zinc/39/18/19/559391819.db2.gz MKDVNTRHODFABS-IRXDYDNUSA-N 1 3 366.456 2.193 20 0 FEADHO CCCN(C)[C@@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418184353 559393303 /nfs/dbraw/zinc/39/33/03/559393303.db2.gz PTZZEQUSYOPIDL-SJORKVTESA-N 1 3 368.909 2.092 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000418191129 559393478 /nfs/dbraw/zinc/39/34/78/559393478.db2.gz KFBXFEGLQXHTPT-YFVAEKQCSA-N 1 3 356.514 2.435 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2CCNC(C)(C)C2)[NH+](C)C)cc1 ZINC000418225895 559394613 /nfs/dbraw/zinc/39/46/13/559394613.db2.gz ABSFCHVAUYHCSU-MRXNPFEDSA-N 1 3 350.532 2.405 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2CC[NH2+]C(C)(C)C2)N(C)C)cc1 ZINC000418225895 559394614 /nfs/dbraw/zinc/39/46/14/559394614.db2.gz ABSFCHVAUYHCSU-MRXNPFEDSA-N 1 3 350.532 2.405 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)N(C)C)cc1 ZINC000418226775 559394648 /nfs/dbraw/zinc/39/46/48/559394648.db2.gz BHEMOEFZPBURJG-ZIAGYGMSSA-N 1 3 360.474 2.293 20 0 FEADHO CN(Cc1ccccc1)C1(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CCC1 ZINC000418241354 559395138 /nfs/dbraw/zinc/39/51/38/559395138.db2.gz KBQFOWUSWNOPAF-OALUTQOASA-N 1 3 356.514 2.292 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000418311793 559397257 /nfs/dbraw/zinc/39/72/57/559397257.db2.gz GJBLZEHGCGGITE-UHFFFAOYSA-N 1 3 362.518 2.430 20 0 FEADHO O=C(NCCCNCc1cccnc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000418321150 559397303 /nfs/dbraw/zinc/39/73/03/559397303.db2.gz ACHBICICMJSCDW-AZUAARDMSA-N 1 3 371.529 2.220 20 0 FEADHO O=C(NCCCNCc1cccnc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000418321150 559397304 /nfs/dbraw/zinc/39/73/04/559397304.db2.gz ACHBICICMJSCDW-AZUAARDMSA-N 1 3 371.529 2.220 20 0 FEADHO CCC([NH3+])(CC)CNC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418429206 559401185 /nfs/dbraw/zinc/40/11/85/559401185.db2.gz RTGPOGSCKZQZKO-CALCHBBNSA-N 1 3 368.566 2.425 20 0 FEADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418538407 559405412 /nfs/dbraw/zinc/40/54/12/559405412.db2.gz KWCNJEHPDNLLFL-HXUWFJFHSA-N 1 3 356.514 2.460 20 0 FEADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418551695 559405901 /nfs/dbraw/zinc/40/59/01/559405901.db2.gz BMMPUXHWIJXAJP-ICSRJNTNSA-N 1 3 358.530 2.335 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC[NH2+]1 ZINC000418611184 559407747 /nfs/dbraw/zinc/40/77/47/559407747.db2.gz UUYPUAQGTASLPY-SLYNCCJLSA-N 1 3 356.514 2.435 20 0 FEADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000418658105 559410028 /nfs/dbraw/zinc/41/00/28/559410028.db2.gz VJVUFFUURJORNB-UZLBHIALSA-N 1 3 374.529 2.144 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418677407 559410821 /nfs/dbraw/zinc/41/08/21/559410821.db2.gz ROAFBVUKPOKUQZ-OALUTQOASA-N 1 3 362.518 2.219 20 0 FEADHO C[C@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@@H](C)C1 ZINC000418680962 559410944 /nfs/dbraw/zinc/41/09/44/559410944.db2.gz GBHSICSXUXWBGD-FLFBIERCSA-N 1 3 356.514 2.114 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)NCCC[C@@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000418750612 559413967 /nfs/dbraw/zinc/41/39/67/559413967.db2.gz OQPJFPZLFXXWTI-LMMKCTJWSA-N 1 3 366.550 2.049 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418767960 559414880 /nfs/dbraw/zinc/41/48/80/559414880.db2.gz LTFUQMBNZICZFW-GOSISDBHSA-N 1 3 350.482 2.431 20 0 FEADHO COc1ccc([C@H](CN)C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000420303546 559479334 /nfs/dbraw/zinc/47/93/34/559479334.db2.gz KQULBVNIBIYQMD-LJQANCHMSA-N 1 3 359.514 2.462 20 0 FEADHO CCOCc1ccccc1CNC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333941 559481233 /nfs/dbraw/zinc/48/12/33/559481233.db2.gz TYLAOBKOUHKZQV-MOPGFXCFSA-N 1 3 359.514 2.161 20 0 FEADHO COC(=O)c1ccccc1OCCN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420383258 559484339 /nfs/dbraw/zinc/48/43/39/559484339.db2.gz FJYMBBBQLIAFOD-VQIMIIECSA-N 1 3 362.470 2.070 20 0 FEADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000420807925 559505691 /nfs/dbraw/zinc/50/56/91/559505691.db2.gz WTXQHVPWQAPRPU-UXHICEINSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000420807925 559505692 /nfs/dbraw/zinc/50/56/92/559505692.db2.gz WTXQHVPWQAPRPU-UXHICEINSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000420847666 559507559 /nfs/dbraw/zinc/50/75/59/559507559.db2.gz WOZDQCNRCYINKI-UXHICEINSA-N 1 3 374.529 2.013 20 0 FEADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000420847666 559507560 /nfs/dbraw/zinc/50/75/60/559507560.db2.gz WOZDQCNRCYINKI-UXHICEINSA-N 1 3 374.529 2.013 20 0 FEADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000422633006 559598980 /nfs/dbraw/zinc/59/89/80/559598980.db2.gz HRACYGOZTDXADE-UPJWGTAASA-N 1 3 366.893 2.073 20 0 FEADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C[C@@H]1CN ZINC000422633006 559598981 /nfs/dbraw/zinc/59/89/81/559598981.db2.gz HRACYGOZTDXADE-UPJWGTAASA-N 1 3 366.893 2.073 20 0 FEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C[C@@H]1CN ZINC000422633006 559598982 /nfs/dbraw/zinc/59/89/82/559598982.db2.gz HRACYGOZTDXADE-UPJWGTAASA-N 1 3 366.893 2.073 20 0 FEADHO C[C@@H]1CCCN(S(=O)(=O)c2ccc(CN[C@H]3CCC[C@H]3C[NH3+])cc2)C1 ZINC000422697707 559603330 /nfs/dbraw/zinc/60/33/30/559603330.db2.gz VTYIDZDGYWZUGE-AYBZRNKSSA-N 1 3 365.543 2.324 20 0 FEADHO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000422777650 559606368 /nfs/dbraw/zinc/60/63/68/559606368.db2.gz COZWUWKFQAJIOA-IXDOHACOSA-N 1 3 362.518 2.142 20 0 FEADHO O=C1NC2(CCCC2)C(=O)N1CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422777650 559606369 /nfs/dbraw/zinc/60/63/69/559606369.db2.gz COZWUWKFQAJIOA-IXDOHACOSA-N 1 3 362.518 2.142 20 0 FEADHO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422779724 559606406 /nfs/dbraw/zinc/60/64/06/559606406.db2.gz ITXDPOIFHCUEDO-XOBRGWDASA-N 1 3 365.481 2.338 20 0 FEADHO FC(F)(F)c1ccc(NCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000422825925 559607700 /nfs/dbraw/zinc/60/77/00/559607700.db2.gz BCCIGAPEKMCJGE-OWCLPIDISA-N 1 3 372.435 2.649 20 0 FEADHO CC(C)(C)NC(=O)CN1CCC(C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000422841096 559608083 /nfs/dbraw/zinc/60/80/83/559608083.db2.gz VEVSUFKVJXXONI-RTBURBONSA-N 1 3 358.530 2.348 20 0 FEADHO CCN1CCN([C@H](C)CN[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422866877 559609074 /nfs/dbraw/zinc/60/90/74/559609074.db2.gz RAZHFXNDZKVUBT-QMMLZNLJSA-N 1 3 360.546 2.104 20 0 FEADHO COc1ccc(Br)c(C(=O)NCCCN[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422907520 559610849 /nfs/dbraw/zinc/61/08/49/559610849.db2.gz LLSUPHRKUPDAOG-HUUCEWRRSA-N 1 3 370.291 2.047 20 0 FEADHO OCCOc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422943087 559612255 /nfs/dbraw/zinc/61/22/55/559612255.db2.gz JZXBNGXJLNVGML-CTNGQTDRSA-N 1 3 354.450 2.403 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000423057270 559616937 /nfs/dbraw/zinc/61/69/37/559616937.db2.gz ZBGGHTYPGTWRFH-GXTWGEPZSA-N 1 3 359.392 2.154 20 0 FEADHO Cc1cc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1I ZINC000423092365 559618586 /nfs/dbraw/zinc/61/85/86/559618586.db2.gz BNOPTSQDJZIEHZ-UXIGCNINSA-N 1 3 374.266 2.442 20 0 FEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423099313 559618930 /nfs/dbraw/zinc/61/89/30/559618930.db2.gz LYXPVUCWCVZSEO-ZFWWWQNUSA-N 1 3 359.923 2.116 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H](C)CCN2)c1 ZINC000423343162 559625934 /nfs/dbraw/zinc/62/59/34/559625934.db2.gz ZIRXOSDMMASYRT-MAUKXSAKSA-N 1 3 360.502 2.085 20 0 FEADHO COc1ccc2c(c1F)CC[C@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423379978 559627369 /nfs/dbraw/zinc/62/73/69/559627369.db2.gz DDIRUUYIWCITAM-UKRRQHHQSA-N 1 3 361.383 2.247 20 0 FEADHO C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000423410271 559628168 /nfs/dbraw/zinc/62/81/68/559628168.db2.gz RQYFTOVVSYPIMX-RDJZCZTQSA-N 1 3 355.486 2.127 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000423804818 559639982 /nfs/dbraw/zinc/63/99/82/559639982.db2.gz YNVDKUNFPROBES-IRFCIJBXSA-N 1 3 356.514 2.142 20 0 FEADHO CCN(C)[C@@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000423948778 559647608 /nfs/dbraw/zinc/64/76/08/559647608.db2.gz LOVFLNSKXNYDIY-SOAGJPPSSA-N 1 3 358.530 2.012 20 0 FEADHO CCN(C)[C@@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000423948778 559647609 /nfs/dbraw/zinc/64/76/09/559647609.db2.gz LOVFLNSKXNYDIY-SOAGJPPSSA-N 1 3 358.530 2.012 20 0 FEADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000423976704 559648671 /nfs/dbraw/zinc/64/86/71/559648671.db2.gz RPRFTEKXFXVAJF-JLJPHGGASA-N 1 3 355.404 2.389 20 0 FEADHO CC[C@@H](C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1)N(CC)CC ZINC000424025686 559651730 /nfs/dbraw/zinc/65/17/30/559651730.db2.gz ZWABMABGNNRJKU-IBGZPJMESA-N 1 3 360.546 2.217 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000424140037 559655935 /nfs/dbraw/zinc/65/59/35/559655935.db2.gz WAAYQFDYTKAGEX-QGZVFWFLSA-N 1 3 356.474 2.297 20 0 FEADHO C[C@H]1CC2(CN1CC(=O)NCCc1c(F)cccc1F)CC[NH2+]CC2 ZINC000424285107 559660686 /nfs/dbraw/zinc/66/06/86/559660686.db2.gz FDCBHTWDLNOVRU-AWEZNQCLSA-N 1 3 351.441 2.088 20 0 FEADHO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424333678 559661555 /nfs/dbraw/zinc/66/15/55/559661555.db2.gz MHTDIJUFGVEUEY-HUUCEWRRSA-N 1 3 354.292 2.267 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000424444627 559665331 /nfs/dbraw/zinc/66/53/31/559665331.db2.gz DBBXWXIIKIZRQB-DOTOQJQBSA-N 1 3 372.513 2.161 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000424444627 559665332 /nfs/dbraw/zinc/66/53/32/559665332.db2.gz DBBXWXIIKIZRQB-DOTOQJQBSA-N 1 3 372.513 2.161 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2CCCCN2CC(C)C)c1 ZINC000424458846 559666034 /nfs/dbraw/zinc/66/60/34/559666034.db2.gz UTDFSOPGJKHBAI-GOSISDBHSA-N 1 3 360.502 2.019 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@@]3(F)c3ccccc3)CC2)CC1 ZINC000425445043 559702616 /nfs/dbraw/zinc/70/26/16/559702616.db2.gz NBOLKXGDFPUWDS-PZJWPPBQSA-N 1 3 374.504 2.482 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000426617172 559738999 /nfs/dbraw/zinc/73/89/99/559738999.db2.gz DLKNCKRVLVHJNZ-QZTJIDSGSA-N 1 3 366.550 2.146 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000426617172 559739000 /nfs/dbraw/zinc/73/90/00/559739000.db2.gz DLKNCKRVLVHJNZ-QZTJIDSGSA-N 1 3 366.550 2.146 20 0 FEADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCC1 ZINC000428997563 559787771 /nfs/dbraw/zinc/78/77/71/559787771.db2.gz QHVLJUMEWQSFDZ-LJQANCHMSA-N 1 3 374.529 2.061 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000430601910 559824378 /nfs/dbraw/zinc/82/43/78/559824378.db2.gz FFIXOOFZTLBBAZ-PZJWPPBQSA-N 1 3 372.557 2.231 20 0 FEADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000430710837 559826936 /nfs/dbraw/zinc/82/69/36/559826936.db2.gz UOVPZGNODVSBLW-IBGZPJMESA-N 1 3 358.530 2.093 20 0 FEADHO C[NH2+]CC1CCN([C@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000430930741 559830558 /nfs/dbraw/zinc/83/05/58/559830558.db2.gz YIDHGMMRWZOZPK-CQSZACIVSA-N 1 3 351.466 2.113 20 0 FEADHO C[C@H](NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccc2c(c1)OCCO2 ZINC000431014805 559832412 /nfs/dbraw/zinc/83/24/12/559832412.db2.gz POICSBUTVOCZAM-HOTGVXAUSA-N 1 3 373.497 2.099 20 0 FEADHO COCC[C@]1(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC[NH2+]C1 ZINC000431057419 559833146 /nfs/dbraw/zinc/83/31/46/559833146.db2.gz NZGPADHJDZZWGA-QFBILLFUSA-N 1 3 365.543 2.093 20 0 FEADHO CCN1CCN(CCC(=O)N[C@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000431553744 559841325 /nfs/dbraw/zinc/84/13/25/559841325.db2.gz VAHNRRSHMAISBQ-OALUTQOASA-N 1 3 352.567 2.031 20 0 FEADHO CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)N1CCN(C)CC1 ZINC000431859622 559847487 /nfs/dbraw/zinc/84/74/87/559847487.db2.gz NYWSHTQDPUGONF-UXHICEINSA-N 1 3 364.578 2.172 20 0 FEADHO CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)N1CCN(C)CC1 ZINC000431859622 559847488 /nfs/dbraw/zinc/84/74/88/559847488.db2.gz NYWSHTQDPUGONF-UXHICEINSA-N 1 3 364.578 2.172 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NCC2([NH+](C)C)CCCCC2)CCCO1 ZINC000433273374 559875547 /nfs/dbraw/zinc/87/55/47/559875547.db2.gz KSYYFIYWRJVEJR-KRWDZBQOSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433325591 559877041 /nfs/dbraw/zinc/87/70/41/559877041.db2.gz HHZSSEWZPITSIE-HCXYKTFWSA-N 1 3 368.566 2.153 20 0 FEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433325591 559877042 /nfs/dbraw/zinc/87/70/42/559877042.db2.gz HHZSSEWZPITSIE-HCXYKTFWSA-N 1 3 368.566 2.153 20 0 FEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433338896 559877456 /nfs/dbraw/zinc/87/74/56/559877456.db2.gz IVLJSPQJUABHID-RBUKOAKNSA-N 1 3 368.566 2.441 20 0 FEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433338896 559877457 /nfs/dbraw/zinc/87/74/57/559877457.db2.gz IVLJSPQJUABHID-RBUKOAKNSA-N 1 3 368.566 2.441 20 0 FEADHO CN(C)CCOc1cccc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000433375830 559879017 /nfs/dbraw/zinc/87/90/17/559879017.db2.gz LYHYQXPNMBGQKB-MRXNPFEDSA-N 1 3 357.458 2.000 20 0 FEADHO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H](C)N3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000434430698 559900316 /nfs/dbraw/zinc/90/03/16/559900316.db2.gz BKWAPSVQLKJPBX-QRVBRYPASA-N 1 3 364.578 2.265 20 0 FEADHO CN1CCN(Cc2ccc(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)cc2)CC1 ZINC000434442433 559900487 /nfs/dbraw/zinc/90/04/87/559900487.db2.gz NJYPFLUWGRMXQG-NRFANRHFSA-N 1 3 370.541 2.181 20 0 FEADHO CN1CCN(Cc2ccc(C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)cc2)CC1 ZINC000434442433 559900488 /nfs/dbraw/zinc/90/04/88/559900488.db2.gz NJYPFLUWGRMXQG-NRFANRHFSA-N 1 3 370.541 2.181 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cnc3ccccc3c2)C1)[C@@H]1CCC[NH2+]1 ZINC000435379964 559921787 /nfs/dbraw/zinc/92/17/87/559921787.db2.gz OJOLSCDLNVBUOM-UZLBHIALSA-N 1 3 352.482 2.315 20 0 FEADHO Cn1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000435382134 559921897 /nfs/dbraw/zinc/92/18/97/559921897.db2.gz ZSTBVAGQTFDTFW-JQHSSLGASA-N 1 3 368.481 2.418 20 0 FEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000439263165 559990961 /nfs/dbraw/zinc/99/09/61/559990961.db2.gz WSSQHSFYMXRCHF-HSALFYBXSA-N 1 3 358.530 2.428 20 0 FEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000439263165 559990962 /nfs/dbraw/zinc/99/09/62/559990962.db2.gz WSSQHSFYMXRCHF-HSALFYBXSA-N 1 3 358.530 2.428 20 0 FEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000443075307 560069542 /nfs/dbraw/zinc/06/95/42/560069542.db2.gz RKCWODZAJUXDLM-AWEZNQCLSA-N 1 3 373.419 2.305 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(O)CC(OCC)C2)CC1 ZINC000444020681 560099264 /nfs/dbraw/zinc/09/92/64/560099264.db2.gz DUUUZFLPROYZTC-UHFFFAOYSA-N 1 3 361.530 2.238 20 0 FEADHO CN(C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000527642287 562298564 /nfs/dbraw/zinc/29/85/64/562298564.db2.gz MBCRLAONFUVJAU-IAGOWNOFSA-N 1 3 358.511 2.037 20 0 FEADHO CN(C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000527642287 562298565 /nfs/dbraw/zinc/29/85/65/562298565.db2.gz MBCRLAONFUVJAU-IAGOWNOFSA-N 1 3 358.511 2.037 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)NCC3([NH+](C)C)CCC3)CC2)C[C@H](C)O1 ZINC000445858315 560135771 /nfs/dbraw/zinc/13/57/71/560135771.db2.gz VMRPZFWLNQTBTF-CALCHBBNSA-N 1 3 366.550 2.002 20 0 FEADHO O[C@@H](CN1CCC[C@@H]1C1CCOCC1)C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000447310925 560160105 /nfs/dbraw/zinc/16/01/05/560160105.db2.gz CVZQCFRIELXDFJ-WKCHPHFGSA-N 1 3 366.546 2.129 20 0 FEADHO O[C@@H](CN1CCC[C@@H]1C1CCOCC1)C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000447310925 560160106 /nfs/dbraw/zinc/16/01/06/560160106.db2.gz CVZQCFRIELXDFJ-WKCHPHFGSA-N 1 3 366.546 2.129 20 0 FEADHO O[C@H](CN1CCC[C@H]1C1CCOCC1)C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000447310925 560160107 /nfs/dbraw/zinc/16/01/07/560160107.db2.gz CVZQCFRIELXDFJ-WKCHPHFGSA-N 1 3 366.546 2.129 20 0 FEADHO O[C@H](CN1CCC[C@H]1C1CCOCC1)C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000447310925 560160108 /nfs/dbraw/zinc/16/01/08/560160108.db2.gz CVZQCFRIELXDFJ-WKCHPHFGSA-N 1 3 366.546 2.129 20 0 FEADHO CN(C)CCOCC[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000447598083 560165099 /nfs/dbraw/zinc/16/50/99/560165099.db2.gz HKQGCVHHJSCXBI-IAGOWNOFSA-N 1 3 373.497 2.152 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@H](C)C1 ZINC000448521825 560188962 /nfs/dbraw/zinc/18/89/62/560188962.db2.gz QKJSECYUQVDCOQ-XLIONFOSSA-N 1 3 372.557 2.457 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@H](C)C1 ZINC000448521825 560188963 /nfs/dbraw/zinc/18/89/63/560188963.db2.gz QKJSECYUQVDCOQ-XLIONFOSSA-N 1 3 372.557 2.457 20 0 FEADHO C[C@H](CN1CCN(C)CC1)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449126053 560216994 /nfs/dbraw/zinc/21/69/94/560216994.db2.gz UJZGNPARAYCRPJ-UXHICEINSA-N 1 3 358.574 2.308 20 0 FEADHO C[C@H](CN1CCN(C)CC1)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449126053 560216995 /nfs/dbraw/zinc/21/69/95/560216995.db2.gz UJZGNPARAYCRPJ-UXHICEINSA-N 1 3 358.574 2.308 20 0 FEADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000450029957 560248487 /nfs/dbraw/zinc/24/84/87/560248487.db2.gz VDJBNNBZJQCAFG-FXAWDEMLSA-N 1 3 365.562 2.335 20 0 FEADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(C[C@H]3CCC(C)(C)O3)C2)CC1 ZINC000451535468 560312904 /nfs/dbraw/zinc/31/29/04/560312904.db2.gz ZXHMFXDCIHSYAT-RTBURBONSA-N 1 3 351.535 2.210 20 0 FEADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(C[C@H]3CCC(C)(C)O3)C2)CC1 ZINC000451535468 560312905 /nfs/dbraw/zinc/31/29/05/560312905.db2.gz ZXHMFXDCIHSYAT-RTBURBONSA-N 1 3 351.535 2.210 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H](CCCO)C2)CC1 ZINC000452133622 560353263 /nfs/dbraw/zinc/35/32/63/560353263.db2.gz SIWHDIMBTZCOGE-IBGZPJMESA-N 1 3 373.541 2.170 20 0 FEADHO COC1([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CCOCC1 ZINC000453074822 560382779 /nfs/dbraw/zinc/38/27/79/560382779.db2.gz VNIROZQEPRBKTN-SFHVURJKSA-N 1 3 361.530 2.108 20 0 FEADHO COC1([C@H](C)[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCOCC1 ZINC000453102255 560383313 /nfs/dbraw/zinc/38/33/13/560383313.db2.gz PIKZFBPYCGWJFP-KRWDZBQOSA-N 1 3 362.514 2.317 20 0 FEADHO CC[C@@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)N1CCc2ccccc2C1 ZINC000454251410 560436454 /nfs/dbraw/zinc/43/64/54/560436454.db2.gz PZBKDZYDWKKXHK-SLFFLAALSA-N 1 3 356.514 2.169 20 0 FEADHO CC[C@@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)N1CCc2ccccc2C1 ZINC000454251410 560436455 /nfs/dbraw/zinc/43/64/55/560436455.db2.gz PZBKDZYDWKKXHK-SLFFLAALSA-N 1 3 356.514 2.169 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)c(C)c2)CC1 ZINC000454279066 560437760 /nfs/dbraw/zinc/43/77/60/560437760.db2.gz XOOWDFUDAYMLFE-FXAWDEMLSA-N 1 3 371.529 2.305 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)c(C)c2)CC1 ZINC000454279066 560437761 /nfs/dbraw/zinc/43/77/61/560437761.db2.gz XOOWDFUDAYMLFE-FXAWDEMLSA-N 1 3 371.529 2.305 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000454580591 560450187 /nfs/dbraw/zinc/45/01/87/560450187.db2.gz AGSTXIJKQACUCT-IJXRJRJASA-N 1 3 356.514 2.385 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000454580591 560450188 /nfs/dbraw/zinc/45/01/88/560450188.db2.gz AGSTXIJKQACUCT-IJXRJRJASA-N 1 3 356.514 2.385 20 0 FEADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454624793 560451642 /nfs/dbraw/zinc/45/16/42/560451642.db2.gz SMZHAVVRBCBQQB-IJXRJRJASA-N 1 3 356.514 2.243 20 0 FEADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454624793 560451643 /nfs/dbraw/zinc/45/16/43/560451643.db2.gz SMZHAVVRBCBQQB-IJXRJRJASA-N 1 3 356.514 2.243 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000455031401 560467888 /nfs/dbraw/zinc/46/78/88/560467888.db2.gz GSECBIKBNNOVOS-GOSISDBHSA-N 1 3 366.550 2.147 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC[N@@H+]3CCCC3(C)C)cc2)CC1 ZINC000457062327 560546289 /nfs/dbraw/zinc/54/62/89/560546289.db2.gz URJOFTDJMXYPGH-UHFFFAOYSA-N 1 3 358.530 2.433 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC[N@H+]3CCCC3(C)C)cc2)CC1 ZINC000457062327 560546291 /nfs/dbraw/zinc/54/62/91/560546291.db2.gz URJOFTDJMXYPGH-UHFFFAOYSA-N 1 3 358.530 2.433 20 0 FEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000457649726 560579835 /nfs/dbraw/zinc/57/98/35/560579835.db2.gz OODCIFZJXSQCSC-GOSISDBHSA-N 1 3 362.518 2.251 20 0 FEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000457649726 560579836 /nfs/dbraw/zinc/57/98/36/560579836.db2.gz OODCIFZJXSQCSC-GOSISDBHSA-N 1 3 362.518 2.251 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000458562009 560632767 /nfs/dbraw/zinc/63/27/67/560632767.db2.gz CTCNQQTUEUGFMO-ROUUACIJSA-N 1 3 350.551 2.480 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000458562009 560632768 /nfs/dbraw/zinc/63/27/68/560632768.db2.gz CTCNQQTUEUGFMO-ROUUACIJSA-N 1 3 350.551 2.480 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000458562007 560632850 /nfs/dbraw/zinc/63/28/50/560632850.db2.gz CTCNQQTUEUGFMO-MSOLQXFVSA-N 1 3 350.551 2.480 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000458562007 560632852 /nfs/dbraw/zinc/63/28/52/560632852.db2.gz CTCNQQTUEUGFMO-MSOLQXFVSA-N 1 3 350.551 2.480 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459121842 560668048 /nfs/dbraw/zinc/66/80/48/560668048.db2.gz YZDPNPPBKFEOIS-UHFFFAOYSA-N 1 3 359.518 2.172 20 0 FEADHO CN(C)C[C@@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000459283020 560677569 /nfs/dbraw/zinc/67/75/69/560677569.db2.gz DDLJICMUWDSHFA-CRAIPNDOSA-N 1 3 350.482 2.460 20 0 FEADHO CN(C)C[C@@H](NC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000459283020 560677571 /nfs/dbraw/zinc/67/75/71/560677571.db2.gz DDLJICMUWDSHFA-CRAIPNDOSA-N 1 3 350.482 2.460 20 0 FEADHO Cc1cccc(N2CC[NH+](CCC(=O)N3CCN(CC(C)C)CC3)CC2)c1 ZINC000462046723 560794061 /nfs/dbraw/zinc/79/40/61/560794061.db2.gz WEDBTWFNWBLOFZ-UHFFFAOYSA-N 1 3 372.557 2.307 20 0 FEADHO CC[C@@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000465541701 560867777 /nfs/dbraw/zinc/86/77/77/560867777.db2.gz JLTWRTDBTAWRMP-LEWJYISDSA-N 1 3 368.525 2.479 20 0 FEADHO CC[C@@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000465541701 560867778 /nfs/dbraw/zinc/86/77/78/560867778.db2.gz JLTWRTDBTAWRMP-LEWJYISDSA-N 1 3 368.525 2.479 20 0 FEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000465877267 560874613 /nfs/dbraw/zinc/87/46/13/560874613.db2.gz QPYFSHZMAUJHAW-RBUKOAKNSA-N 1 3 368.566 2.393 20 0 FEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000465877267 560874614 /nfs/dbraw/zinc/87/46/14/560874614.db2.gz QPYFSHZMAUJHAW-RBUKOAKNSA-N 1 3 368.566 2.393 20 0 FEADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000466795096 560895862 /nfs/dbraw/zinc/89/58/62/560895862.db2.gz IOLIJHAVTFANMD-YLJYHZDGSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000466795096 560895863 /nfs/dbraw/zinc/89/58/63/560895863.db2.gz IOLIJHAVTFANMD-YLJYHZDGSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000468482753 560931254 /nfs/dbraw/zinc/93/12/54/560931254.db2.gz GICASXARIONETD-ZVDOUQERSA-N 1 3 372.557 2.354 20 0 FEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000468482753 560931255 /nfs/dbraw/zinc/93/12/55/560931255.db2.gz GICASXARIONETD-ZVDOUQERSA-N 1 3 372.557 2.354 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNc1cccc(F)c1 ZINC000468993836 560944331 /nfs/dbraw/zinc/94/43/31/560944331.db2.gz KUEADTMJWDNGFN-GOSISDBHSA-N 1 3 350.482 2.112 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNc1cccc(F)c1 ZINC000468993836 560944332 /nfs/dbraw/zinc/94/43/32/560944332.db2.gz KUEADTMJWDNGFN-GOSISDBHSA-N 1 3 350.482 2.112 20 0 FEADHO CC[NH+](CC)CCSCC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000469724481 560962985 /nfs/dbraw/zinc/96/29/85/560962985.db2.gz FRFDSKCKXCELIV-UHFFFAOYSA-N 1 3 363.571 2.277 20 0 FEADHO COc1cc(CNC(=O)c2ccc3c(c2)CNC3)ccc1OCC[NH+](C)C ZINC000470364599 560979651 /nfs/dbraw/zinc/97/96/51/560979651.db2.gz VIXRXVZTGOWLCZ-UHFFFAOYSA-N 1 3 369.465 2.169 20 0 FEADHO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc2c(c1)CNC2 ZINC000470366950 560979690 /nfs/dbraw/zinc/97/96/90/560979690.db2.gz JNMKJRFVISFEOJ-IBGZPJMESA-N 1 3 373.497 2.170 20 0 FEADHO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc2c(c1)CNC2 ZINC000470366950 560979691 /nfs/dbraw/zinc/97/96/91/560979691.db2.gz JNMKJRFVISFEOJ-IBGZPJMESA-N 1 3 373.497 2.170 20 0 FEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000470542983 560984242 /nfs/dbraw/zinc/98/42/42/560984242.db2.gz SFJWXSOFVIWPGU-QZTJIDSGSA-N 1 3 374.529 2.124 20 0 FEADHO CN(C)C1(CNC(=O)NC2CC([NH+]3CCCCC3)C2)Cc2ccccc2C1 ZINC000474461671 561074757 /nfs/dbraw/zinc/07/47/57/561074757.db2.gz WBHGQZJVDZVBTN-UHFFFAOYSA-N 1 3 370.541 2.402 20 0 FEADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CNC2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000475039676 561088525 /nfs/dbraw/zinc/08/85/25/561088525.db2.gz SFBIABKLMCXKTQ-WMZOPIPTSA-N 1 3 351.514 2.185 20 0 FEADHO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]C2CCN(C(C)(C)C)CC2)cn1 ZINC000475039676 561088526 /nfs/dbraw/zinc/08/85/26/561088526.db2.gz SFBIABKLMCXKTQ-WMZOPIPTSA-N 1 3 351.514 2.185 20 0 FEADHO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000476270261 561115033 /nfs/dbraw/zinc/11/50/33/561115033.db2.gz WVCPAWGRSWPYQX-PMACEKPBSA-N 1 3 374.529 2.061 20 0 FEADHO COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000476270261 561115034 /nfs/dbraw/zinc/11/50/34/561115034.db2.gz WVCPAWGRSWPYQX-PMACEKPBSA-N 1 3 374.529 2.061 20 0 FEADHO CN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)C1CCN(CCc2ccccn2)CC1 ZINC000529367639 562371401 /nfs/dbraw/zinc/37/14/01/562371401.db2.gz RVCBCYHCBGJIGJ-LJQANCHMSA-N 1 3 371.529 2.015 20 0 FEADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239686 562403569 /nfs/dbraw/zinc/40/35/69/562403569.db2.gz HCDGIUPTAANWAK-DYESRHJHSA-N 1 3 371.525 2.050 20 0 FEADHO CC(=O)c1ccc(NC(=O)CCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530241468 562403863 /nfs/dbraw/zinc/40/38/63/562403863.db2.gz QFJDRIGGWAQQOG-FQEVSTJZSA-N 1 3 373.497 2.308 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000530273013 562404904 /nfs/dbraw/zinc/40/49/04/562404904.db2.gz JVQRVAQBVRXMQV-OALUTQOASA-N 1 3 351.535 2.303 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCN2CCOC[C@H]2C)CC1 ZINC000531784193 562456582 /nfs/dbraw/zinc/45/65/82/562456582.db2.gz RNHZYUJLBXSIPM-LJQANCHMSA-N 1 3 360.546 2.029 20 0 FEADHO CC(=O)N1CCC([NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CC1 ZINC000531851350 562458809 /nfs/dbraw/zinc/45/88/09/562458809.db2.gz JJGGYJPGKIGDCR-UHFFFAOYSA-N 1 3 358.530 2.318 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000532697606 562485960 /nfs/dbraw/zinc/48/59/60/562485960.db2.gz TYRNHXXZWNDUDB-SJORKVTESA-N 1 3 359.518 2.343 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000532697606 562485961 /nfs/dbraw/zinc/48/59/61/562485961.db2.gz TYRNHXXZWNDUDB-SJORKVTESA-N 1 3 359.518 2.343 20 0 FEADHO CCCN(C)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000535095939 562550995 /nfs/dbraw/zinc/55/09/95/562550995.db2.gz LXLSBKPZNFKYEX-OALUTQOASA-N 1 3 352.567 2.124 20 0 FEADHO CCCN(C)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000535095939 562550996 /nfs/dbraw/zinc/55/09/96/562550996.db2.gz LXLSBKPZNFKYEX-OALUTQOASA-N 1 3 352.567 2.124 20 0 FEADHO CN1CC[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC000535435609 562558716 /nfs/dbraw/zinc/55/87/16/562558716.db2.gz HYXSGQFYDNAVHF-PMACEKPBSA-N 1 3 374.529 2.184 20 0 FEADHO Cc1nn(-c2ccncc2)cc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000541536670 562614931 /nfs/dbraw/zinc/61/49/31/562614931.db2.gz HJOGYVCPBOXIAZ-UWJYYQICSA-N 1 3 368.529 2.034 20 0 FEADHO Cc1oc2ccccc2c1CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000545946110 562631527 /nfs/dbraw/zinc/63/15/27/562631527.db2.gz GDXYPWNWALOTOY-UHFFFAOYSA-N 1 3 360.502 2.419 20 0 FEADHO CC[C@@H]1CN(C(=O)NC2CCN(CCc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000669110433 567880673 /nfs/dbraw/zinc/88/06/73/567880673.db2.gz QSICCWWQNBDSEM-UYAOXDASSA-N 1 3 358.530 2.462 20 0 FEADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000605973990 568047181 /nfs/dbraw/zinc/04/71/81/568047181.db2.gz MYPOVXBUEDWEJX-ROUUACIJSA-N 1 3 366.550 2.003 20 0 FEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000636919203 568199798 /nfs/dbraw/zinc/19/97/98/568199798.db2.gz JZUQZKHPINQEPB-INIZCTEOSA-N 1 3 362.522 2.249 20 0 FEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000636919203 568199799 /nfs/dbraw/zinc/19/97/99/568199799.db2.gz JZUQZKHPINQEPB-INIZCTEOSA-N 1 3 362.522 2.249 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000623071857 568241552 /nfs/dbraw/zinc/24/15/52/568241552.db2.gz ORSLLCUSVBEIHX-PKOBYXMFSA-N 1 3 360.502 2.498 20 0 FEADHO COC(=O)CC1CCN(C/C=C\C[NH+]2CCC(CC(=O)OC)CC2)CC1 ZINC000604274110 568242355 /nfs/dbraw/zinc/24/23/55/568242355.db2.gz TZJOFITYFHWJQS-ARJAWSKDSA-N 1 3 366.502 2.093 20 0 FEADHO CC1(C)CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CCN1 ZINC000556876976 674425771 /nfs/dbraw/zinc/42/57/71/674425771.db2.gz KEMNKZGEGHUYJU-INIZCTEOSA-N 1 3 351.441 2.354 20 0 FEADHO CC1(C)CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CCN1 ZINC000556876976 674425772 /nfs/dbraw/zinc/42/57/72/674425772.db2.gz KEMNKZGEGHUYJU-INIZCTEOSA-N 1 3 351.441 2.354 20 0 FEADHO CCN1CCC[C@H]1C[N@H+](CCN(C)C)CC1CCC2(CC1)OCCO2 ZINC000809738504 674507926 /nfs/dbraw/zinc/50/79/26/674507926.db2.gz XSSDUVAZXNQXDM-IBGZPJMESA-N 1 3 353.551 2.268 20 0 FEADHO CCN1CCC[C@H]1C[N@@H+](CCN(C)C)CC1CCC2(CC1)OCCO2 ZINC000809738504 674507928 /nfs/dbraw/zinc/50/79/28/674507928.db2.gz XSSDUVAZXNQXDM-IBGZPJMESA-N 1 3 353.551 2.268 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825576342 609150306 /nfs/dbraw/zinc/15/03/06/609150306.db2.gz DVLUDCKPXSISNW-JSGCOSHPSA-N 1 3 350.442 2.013 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825576342 609150308 /nfs/dbraw/zinc/15/03/08/609150308.db2.gz DVLUDCKPXSISNW-JSGCOSHPSA-N 1 3 350.442 2.013 20 0 FEADHO O=C1CC[C@@H](NCc2sccc2Br)[C@H](C2CC[NH2+]CC2)N1 ZINC000571055446 670810028 /nfs/dbraw/zinc/81/00/28/670810028.db2.gz HEUGTVRGHWJEQK-DOMZBBRYSA-N 1 3 372.332 2.247 20 0 FEADHO [NH3+][C@H]1C[C@@H](C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000573806523 671167421 /nfs/dbraw/zinc/16/74/21/671167421.db2.gz IVLZZNFQLDXXSE-OTVXOJSOSA-N 1 3 351.878 2.037 20 0 FEADHO O=C(NC[C@H]1CCC[NH2+]C1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000573902402 671179258 /nfs/dbraw/zinc/17/92/58/671179258.db2.gz NKZMGRSTWIYARB-KRWDZBQOSA-N 1 3 362.543 2.399 20 0 FEADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817950121 675187713 /nfs/dbraw/zinc/18/77/13/675187713.db2.gz WKTACYHXYGKWES-HNNXBMFYSA-N 1 3 361.511 2.303 20 0 FEADHO CC[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)CCO2 ZINC000817973799 675188723 /nfs/dbraw/zinc/18/87/23/675188723.db2.gz WRLGLOVTJLYTGI-NVXWUHKLSA-N 1 3 357.420 2.498 20 0 FEADHO Cc1ccc(NC(=O)[C@@H](C)N(C)CCCN(C)CC[NH+](C)C)cc1F ZINC000582629188 672019679 /nfs/dbraw/zinc/01/96/79/672019679.db2.gz IUQYBRZCQUCMJN-MRXNPFEDSA-N 1 3 352.498 2.276 20 0 FEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000583141771 672067183 /nfs/dbraw/zinc/06/71/83/672067183.db2.gz WVGXJIGFDFFBHM-JFIYKMOQSA-N 1 3 353.551 2.358 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000583390162 672090526 /nfs/dbraw/zinc/09/05/26/672090526.db2.gz HHJSLYQZKFPJQS-ALXJQNPVSA-N 1 3 351.535 2.255 20 0 FEADHO C[C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)[C@H](C[NH3+])C1 ZINC000333948741 673111256 /nfs/dbraw/zinc/11/12/56/673111256.db2.gz WPNHJNWLROVPKX-CVEARBPZSA-N 1 3 354.564 2.117 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000414924802 673182883 /nfs/dbraw/zinc/18/28/83/673182883.db2.gz KXHCQXBYASVAJK-IAGOWNOFSA-N 1 3 367.921 2.411 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](O)COc1ccccc1Br ZINC000537956934 673415078 /nfs/dbraw/zinc/41/50/78/673415078.db2.gz LGHYGSMZCOEXOE-NFAWXSAZSA-N 1 3 357.292 2.119 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](O)COc1ccccc1Br ZINC000537956934 673415081 /nfs/dbraw/zinc/41/50/81/673415081.db2.gz LGHYGSMZCOEXOE-NFAWXSAZSA-N 1 3 357.292 2.119 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000597051225 673443004 /nfs/dbraw/zinc/44/30/04/673443004.db2.gz RHYSRIKRAOKFKV-AWEZNQCLSA-N 1 3 353.894 2.242 20 0 FEADHO COC(=O)c1cc(CNCC2CC[NH+](C3CCOCC3)CC2)oc1C ZINC000597176589 673453890 /nfs/dbraw/zinc/45/38/90/673453890.db2.gz JOCSYIFCAODVPK-UHFFFAOYSA-N 1 3 350.459 2.355 20 0 FEADHO CS[C@@H]1CC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000743590422 673764546 /nfs/dbraw/zinc/76/45/46/673764546.db2.gz SHJVETHHAAICSL-NVXWUHKLSA-N 1 3 354.564 2.128 20 0 FEADHO C[C@@H]1CC[N@H+](CCNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000745180503 673828435 /nfs/dbraw/zinc/82/84/35/673828435.db2.gz DPJHGMVPADKMKP-QGZVFWFLSA-N 1 3 360.571 2.457 20 0 FEADHO C[C@@H]1CC[N@@H+](CCNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000745180503 673828436 /nfs/dbraw/zinc/82/84/36/673828436.db2.gz DPJHGMVPADKMKP-QGZVFWFLSA-N 1 3 360.571 2.457 20 0 FEADHO CC(C)(C)OC(=O)N1CCC[C@](O)(CNCCC[NH+]2CCCC2)CC1 ZINC000818161049 675199853 /nfs/dbraw/zinc/19/98/53/675199853.db2.gz PKQSKIFZAWRELF-LJQANCHMSA-N 1 3 355.523 2.214 20 0 FEADHO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+]CCCN2CCCC2)CC1 ZINC000818161049 675199856 /nfs/dbraw/zinc/19/98/56/675199856.db2.gz PKQSKIFZAWRELF-LJQANCHMSA-N 1 3 355.523 2.214 20 0 FEADHO CN(C)C1CC[NH+](C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000818167374 675200848 /nfs/dbraw/zinc/20/08/48/675200848.db2.gz LFKGLQRNNXTMOF-LJQANCHMSA-N 1 3 355.523 2.165 20 0 FEADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000567499444 675298550 /nfs/dbraw/zinc/29/85/50/675298550.db2.gz ZWZOWMDLHUZNRL-IENTYSSBSA-N 1 3 350.429 2.217 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CCc1ccccc1F ZINC000820074765 675334901 /nfs/dbraw/zinc/33/49/01/675334901.db2.gz NSYWXAAZHUSDGF-INIZCTEOSA-N 1 3 352.498 2.282 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CCc1ccccc1F ZINC000820074765 675334903 /nfs/dbraw/zinc/33/49/03/675334903.db2.gz NSYWXAAZHUSDGF-INIZCTEOSA-N 1 3 352.498 2.282 20 0 FEADHO CCC[C@@H](C)[C@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568223244 675359908 /nfs/dbraw/zinc/35/99/08/675359908.db2.gz LLCGAVBOJJBPMM-APWZRJJASA-N 1 3 353.551 2.096 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3nnc(C)s3)CC2)CC1 ZINC000620843391 676432465 /nfs/dbraw/zinc/43/24/65/676432465.db2.gz DSZPYDVAYJWBCO-UHFFFAOYSA-N 1 3 365.547 2.001 20 0 FEADHO Cc1cc(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)ncc1Br ZINC000623416486 676534095 /nfs/dbraw/zinc/53/40/95/676534095.db2.gz WNMHBRAYGNXKFI-AWEZNQCLSA-N 1 3 367.335 2.411 20 0 FEADHO C[C@H]1CC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C[NH2+]1 ZINC000627196894 676743409 /nfs/dbraw/zinc/74/34/09/676743409.db2.gz WJJDVSVRBKDDOR-DZGCQCFKSA-N 1 3 354.445 2.179 20 0 FEADHO Cc1nn(-c2ccc(Br)cc2)cc1CNCCOCCC[NH3+] ZINC000629402239 676853335 /nfs/dbraw/zinc/85/33/35/676853335.db2.gz YBXGGWTWOZTLFU-UHFFFAOYSA-N 1 3 367.291 2.398 20 0 FEADHO C[NH2+]CCOCCN[C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000629529426 676858321 /nfs/dbraw/zinc/85/83/21/676858321.db2.gz CGAXDAKLCPRNPW-HZPDHXFCSA-N 1 3 357.292 2.495 20 0 FEADHO O[C@H](C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)CN1CCCC1 ZINC000629559334 676859209 /nfs/dbraw/zinc/85/92/09/676859209.db2.gz LDCMBZINHTVRIW-NVXWUHKLSA-N 1 3 368.319 2.074 20 0 FEADHO O[C@@H](C[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)CN1CCCC1 ZINC000629561242 676859374 /nfs/dbraw/zinc/85/93/74/676859374.db2.gz HELYRAZPIIPPTP-MSOLQXFVSA-N 1 3 369.912 2.490 20 0 FEADHO O[C@H](C[NH2+][C@@H]1C[C@H]1c1ccc(Br)c(F)c1)CN1CCCC1 ZINC000629578165 676860770 /nfs/dbraw/zinc/86/07/70/676860770.db2.gz HIGGDGUYNRHKGC-DVOMOZLQSA-N 1 3 357.267 2.490 20 0 FEADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2ccccc2CC(F)(F)F)C1 ZINC000631064059 676931719 /nfs/dbraw/zinc/93/17/19/676931719.db2.gz MKCGTYVFEUEVKD-MRXNPFEDSA-N 1 3 357.420 2.468 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](n2cncn2)C(F)(F)F)[C@H](C)C1 ZINC000631688799 676951916 /nfs/dbraw/zinc/95/19/16/676951916.db2.gz WIBWBQRNVWFSQI-ILXRZTDVSA-N 1 3 363.428 2.108 20 0 FEADHO COC[C@]1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCCN1 ZINC000638102922 677139857 /nfs/dbraw/zinc/13/98/57/677139857.db2.gz XPKVGGOENDAFIE-QUCCMNQESA-N 1 3 351.535 2.260 20 0 FEADHO COC[C@]1(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCCCN1 ZINC000638122268 677140545 /nfs/dbraw/zinc/14/05/45/677140545.db2.gz IMYDBEVVZRLWNN-WDYCEAGBSA-N 1 3 365.543 2.406 20 0 FEADHO COC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCCCN1 ZINC000638122268 677140546 /nfs/dbraw/zinc/14/05/46/677140546.db2.gz IMYDBEVVZRLWNN-WDYCEAGBSA-N 1 3 365.543 2.406 20 0 FEADHO COc1cccc(C[C@H](N)C(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000638285120 677142759 /nfs/dbraw/zinc/14/27/59/677142759.db2.gz UYGNNUHPEXTFFQ-SFHVURJKSA-N 1 3 361.511 2.217 20 0 FEADHO CC(C)(O)CN1CCC([NH2+]Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC000638361960 677143969 /nfs/dbraw/zinc/14/39/69/677143969.db2.gz WFBMTEZSRQTNLB-UHFFFAOYSA-N 1 3 361.408 2.348 20 0 FEADHO CC(C)(O)C[NH+]1CCC(NCCc2csc(N3CCCC3)n2)CC1 ZINC000638672679 677148671 /nfs/dbraw/zinc/14/86/71/677148671.db2.gz HEPUYRYNIIVKTR-UHFFFAOYSA-N 1 3 352.548 2.111 20 0 FEADHO CN(C)C[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1cccc(C(F)(F)F)c1 ZINC000638828305 677150678 /nfs/dbraw/zinc/15/06/78/677150678.db2.gz BPVMROVHOYAOJY-RYUDHWBXSA-N 1 3 353.335 2.407 20 0 FEADHO C[C@@H]1C[C@H](NC(=S)NCC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000760497554 680690182 /nfs/dbraw/zinc/69/01/82/680690182.db2.gz ULEFXHMBVYQJTR-APWZRJJASA-N 1 3 360.571 2.455 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653120677 677516640 /nfs/dbraw/zinc/51/66/40/677516640.db2.gz WXJHFPVZHBRUJQ-SJORKVTESA-N 1 3 351.560 2.385 20 0 FEADHO CCO[C@@H]1CCCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000654600702 677591205 /nfs/dbraw/zinc/59/12/05/677591205.db2.gz BAQTUFPEWRIVJD-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO CCN(C[C@H]1CCOC1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654600114 677591214 /nfs/dbraw/zinc/59/12/14/677591214.db2.gz GSUNOBOBOPCCQL-QGZVFWFLSA-N 1 3 351.535 2.068 20 0 FEADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659482670 678182221 /nfs/dbraw/zinc/18/22/21/678182221.db2.gz QCCFKWPYOYRHBV-KURKYZTESA-N 1 3 350.482 2.224 20 0 FEADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659482670 678182224 /nfs/dbraw/zinc/18/22/24/678182224.db2.gz QCCFKWPYOYRHBV-KURKYZTESA-N 1 3 350.482 2.224 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000663735803 678782645 /nfs/dbraw/zinc/78/26/45/678782645.db2.gz TXJIPLRQQFQYSR-HLLBOEOZSA-N 1 3 350.507 2.474 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000663735803 678782647 /nfs/dbraw/zinc/78/26/47/678782647.db2.gz TXJIPLRQQFQYSR-HLLBOEOZSA-N 1 3 350.507 2.474 20 0 FEADHO CC(C)n1cc([C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000664101788 678831709 /nfs/dbraw/zinc/83/17/09/678831709.db2.gz RETOCPJYMZDPIM-JKSUJKDBSA-N 1 3 352.527 2.096 20 0 FEADHO CC(C)n1cc([C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000664101788 678831712 /nfs/dbraw/zinc/83/17/12/678831712.db2.gz RETOCPJYMZDPIM-JKSUJKDBSA-N 1 3 352.527 2.096 20 0 FEADHO COc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc(OC)c1 ZINC000664314550 678861106 /nfs/dbraw/zinc/86/11/06/678861106.db2.gz LGUFJKMCHLLFOZ-AWEZNQCLSA-N 1 3 352.479 2.097 20 0 FEADHO COc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc(OC)c1 ZINC000664314550 678861108 /nfs/dbraw/zinc/86/11/08/678861108.db2.gz LGUFJKMCHLLFOZ-AWEZNQCLSA-N 1 3 352.479 2.097 20 0 FEADHO CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664708297 678917463 /nfs/dbraw/zinc/91/74/63/678917463.db2.gz JKKTVQKPVKKXAK-OKZBNKHCSA-N 1 3 356.555 2.151 20 0 FEADHO CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664708297 678917465 /nfs/dbraw/zinc/91/74/65/678917465.db2.gz JKKTVQKPVKKXAK-OKZBNKHCSA-N 1 3 356.555 2.151 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000665636907 678974268 /nfs/dbraw/zinc/97/42/68/678974268.db2.gz NNXWSTWFYXYWCO-KBPBESRZSA-N 1 3 352.445 2.242 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000665636907 678974269 /nfs/dbraw/zinc/97/42/69/678974269.db2.gz NNXWSTWFYXYWCO-KBPBESRZSA-N 1 3 352.445 2.242 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(c2ccccc2F)CC1 ZINC000665759039 678981837 /nfs/dbraw/zinc/98/18/37/678981837.db2.gz XRMHVVNSEQFYLX-HNNXBMFYSA-N 1 3 350.482 2.386 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(c2ccccc2F)CC1 ZINC000665759039 678981839 /nfs/dbraw/zinc/98/18/39/678981839.db2.gz XRMHVVNSEQFYLX-HNNXBMFYSA-N 1 3 350.482 2.386 20 0 FEADHO CC(C)Cc1ncc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000666964888 679055220 /nfs/dbraw/zinc/05/52/20/679055220.db2.gz NUQKVYFLUXQLJG-HNNXBMFYSA-N 1 3 350.511 2.069 20 0 FEADHO CC(C)Cc1ncc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000666964888 679055225 /nfs/dbraw/zinc/05/52/25/679055225.db2.gz NUQKVYFLUXQLJG-HNNXBMFYSA-N 1 3 350.511 2.069 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC(NCc3c(F)cccc3F)CC2)CC[N@@H+]1C ZINC000996606382 680336969 /nfs/dbraw/zinc/33/69/69/680336969.db2.gz HHGKELDCHRVACU-UKRRQHHQSA-N 1 3 351.441 2.386 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC(NCc3c(F)cccc3F)CC2)CC[N@H+]1C ZINC000996606382 680336975 /nfs/dbraw/zinc/33/69/75/680336975.db2.gz HHGKELDCHRVACU-UKRRQHHQSA-N 1 3 351.441 2.386 20 0 FEADHO Cc1cnc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC000997785580 680366196 /nfs/dbraw/zinc/36/61/96/680366196.db2.gz JYRPOQWEWVGHAD-GDBMZVCRSA-N 1 3 350.532 2.120 20 0 FEADHO Cc1cnc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC000997785580 680366198 /nfs/dbraw/zinc/36/61/98/680366198.db2.gz JYRPOQWEWVGHAD-GDBMZVCRSA-N 1 3 350.532 2.120 20 0 FEADHO NS(=O)(=O)c1ccc(CNC2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000842687963 680959686 /nfs/dbraw/zinc/95/96/86/680959686.db2.gz DYVYXMVIZVZNQE-UHFFFAOYSA-N 1 3 369.506 2.360 20 0 FEADHO C[C@@H]1CCC[C@](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)(N(C)C)C1 ZINC000849111483 681655633 /nfs/dbraw/zinc/65/56/33/681655633.db2.gz PSVHTQFYLLGGDS-KDOFPFPSSA-N 1 3 355.527 2.136 20 0 FEADHO Cc1ncc(CNC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC000960007170 682020063 /nfs/dbraw/zinc/02/00/63/682020063.db2.gz BLHOCSBKYYAATL-UKPHBRMFSA-N 1 3 350.532 2.262 20 0 FEADHO Cc1ncc(CNC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC000960007170 682020073 /nfs/dbraw/zinc/02/00/73/682020073.db2.gz BLHOCSBKYYAATL-UKPHBRMFSA-N 1 3 350.532 2.262 20 0 FEADHO CN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 ZINC000851771996 682128882 /nfs/dbraw/zinc/12/88/82/682128882.db2.gz UJFFAUDJALMCHH-HOTGVXAUSA-N 1 3 353.507 2.038 20 0 FEADHO CN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 ZINC000851771996 682128888 /nfs/dbraw/zinc/12/88/88/682128888.db2.gz UJFFAUDJALMCHH-HOTGVXAUSA-N 1 3 353.507 2.038 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC000854211785 682524771 /nfs/dbraw/zinc/52/47/71/682524771.db2.gz OLHQFTQBFVEIRA-NUEKZKHPSA-N 1 3 350.910 2.262 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC000854211785 682524774 /nfs/dbraw/zinc/52/47/74/682524774.db2.gz OLHQFTQBFVEIRA-NUEKZKHPSA-N 1 3 350.910 2.262 20 0 FEADHO C[NH+](C)C1CC(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000857228507 682867065 /nfs/dbraw/zinc/86/70/65/682867065.db2.gz OKAYJTLIVYDFCC-JCYILVPMSA-N 1 3 351.441 2.353 20 0 FEADHO C[N@@H+]1CC[C@H](NC[C@@H]2COCCN2C(=O)OC(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000858526769 682977403 /nfs/dbraw/zinc/97/74/03/682977403.db2.gz JJRLGCGBHXAIPS-NCOADZHNSA-N 1 3 353.507 2.085 20 0 FEADHO C[N@H+]1CC[C@H](NC[C@@H]2COCCN2C(=O)OC(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000858526769 682977406 /nfs/dbraw/zinc/97/74/06/682977406.db2.gz JJRLGCGBHXAIPS-NCOADZHNSA-N 1 3 353.507 2.085 20 0 FEADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCC1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000925804668 683038677 /nfs/dbraw/zinc/03/86/77/683038677.db2.gz ARQUPXIKZXFZNR-CYBMUJFWSA-N 1 3 368.547 2.140 20 0 FEADHO CCO[C@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)CN(C)C ZINC000922755228 683778134 /nfs/dbraw/zinc/77/81/34/683778134.db2.gz YWQJYNYGIKUBQX-HXUWFJFHSA-N 1 3 351.510 2.389 20 0 FEADHO O=S(=O)(NC1CCCC1)[C@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923374730 684270921 /nfs/dbraw/zinc/27/09/21/684270921.db2.gz YWZGSGMTIFRGCI-DQXYTYHJSA-N 1 3 369.575 2.234 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923454668 684283865 /nfs/dbraw/zinc/28/38/65/684283865.db2.gz IEYUDYYKPHEGEF-ZBRFXRBCSA-N 1 3 351.535 2.146 20 0 FEADHO CN(Cc1cc(Br)cs1)C(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923494610 684291930 /nfs/dbraw/zinc/29/19/30/684291930.db2.gz YSVVOLBHFZKPIE-NSHDSACASA-N 1 3 360.321 2.140 20 0 FEADHO C[C@H]1CN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923497466 684292543 /nfs/dbraw/zinc/29/25/43/684292543.db2.gz LVVOIFAGFKCNBS-RYUDHWBXSA-N 1 3 361.383 2.377 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@H]3CCSC3)CC2)CC1 ZINC000869597144 684634308 /nfs/dbraw/zinc/63/43/08/684634308.db2.gz COAUETZHJHXIHZ-INIZCTEOSA-N 1 3 353.576 2.442 20 0 FEADHO NS(=O)(=O)c1ccc(CNC2CCC([NH+]3CCCCC3)CC2)s1 ZINC000877076612 686322587 /nfs/dbraw/zinc/32/25/87/686322587.db2.gz OIFSGLPZHWRMHE-UHFFFAOYSA-N 1 3 357.545 2.282 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)Cc2ccccc2F)[C@H](C)C1 ZINC000886672423 688288416 /nfs/dbraw/zinc/28/84/16/688288416.db2.gz OHPQRSNURWHELV-POAQFYNOSA-N 1 3 352.494 2.456 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)Cc2ccccc2F)[C@H](C)C1 ZINC000886672423 688288419 /nfs/dbraw/zinc/28/84/19/688288419.db2.gz OHPQRSNURWHELV-POAQFYNOSA-N 1 3 352.494 2.456 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4CSC[C@]4(C)C3)CC2)CC1 ZINC000891181631 689028467 /nfs/dbraw/zinc/02/84/67/689028467.db2.gz RXSSXOAPFWECSN-XLIONFOSSA-N 1 3 365.587 2.394 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000893398828 689342392 /nfs/dbraw/zinc/34/23/92/689342392.db2.gz QVXMFYLTFKDWQF-UHFFFAOYSA-N 1 3 356.555 2.105 20 0 FEADHO CC[C@@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)N(C)C ZINC000901201263 690624436 /nfs/dbraw/zinc/62/44/36/690624436.db2.gz NMCYBXUEGULJAQ-OTWHNJEPSA-N 1 3 352.567 2.122 20 0 FEADHO CC[C@@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)N(C)C ZINC000901201263 690624438 /nfs/dbraw/zinc/62/44/38/690624438.db2.gz NMCYBXUEGULJAQ-OTWHNJEPSA-N 1 3 352.567 2.122 20 0 FEADHO Cc1ccc(C(=O)NC2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)s1 ZINC000903727170 690967273 /nfs/dbraw/zinc/96/72/73/690967273.db2.gz RKISXFAGCFDTEJ-VQIMIIECSA-N 1 3 363.527 2.019 20 0 FEADHO FC(F)(F)c1ccn([C@@H]2CCCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903756907 690970370 /nfs/dbraw/zinc/97/03/70/690970370.db2.gz XCNVGZWMNCCLKX-IJEWVQPXSA-N 1 3 358.408 2.307 20 0 FEADHO FC(F)(F)c1ccnc([C@@H]2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903827920 690975911 /nfs/dbraw/zinc/97/59/11/690975911.db2.gz ZTFORTVCKNEJBF-DVOMOZLQSA-N 1 3 356.392 2.053 20 0 FEADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccc(OC(F)F)c(F)c1)C2 ZINC000903979221 690991589 /nfs/dbraw/zinc/99/15/89/690991589.db2.gz YVZLUFPDNGYCQM-JKDFXYPNSA-N 1 3 358.360 2.139 20 0 FEADHO C[NH+](C)CCOc1cc(CNC[C@](C)(O)C(F)(F)C(F)(F)F)ccn1 ZINC000905191747 691077659 /nfs/dbraw/zinc/07/76/59/691077659.db2.gz QJFJRIIIFSCVTF-ZDUSSCGKSA-N 1 3 371.350 2.060 20 0 FEADHO Nc1cc[nH+]c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001164960515 722051665 /nfs/dbraw/zinc/05/16/65/722051665.db2.gz QVEMYRCTIUWYGT-UHFFFAOYSA-N 1 3 353.470 2.178 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)ccn1 ZINC000359897603 210195982 /nfs/dbraw/zinc/19/59/82/210195982.db2.gz LNLADELVMWSVGN-SFHVURJKSA-N 1 3 360.502 2.113 20 0 FEADHO Cc1nnc2n1C[C@H]([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@H]13)CC2 ZINC000359903779 210195497 /nfs/dbraw/zinc/19/54/97/210195497.db2.gz VKQDBEYHEIZUEM-YSTOQKLRSA-N 1 3 351.498 2.402 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000050203686 540403461 /nfs/dbraw/zinc/40/34/61/540403461.db2.gz ZNDOKOUUXFARHF-LJQANCHMSA-N 1 3 372.513 2.164 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC000050203686 540403464 /nfs/dbraw/zinc/40/34/64/540403464.db2.gz ZNDOKOUUXFARHF-LJQANCHMSA-N 1 3 372.513 2.164 20 0 FEADHO CN(C)c1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1F ZINC000050797087 540414864 /nfs/dbraw/zinc/41/48/64/540414864.db2.gz QTGPHIUOXMBVJC-UHFFFAOYSA-N 1 3 362.493 2.180 20 0 FEADHO CC[NH+](CC)CCNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000052634609 540479441 /nfs/dbraw/zinc/47/94/41/540479441.db2.gz HXNRPMSTQYLRIW-LJQANCHMSA-N 1 3 362.518 2.473 20 0 FEADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)C1CCOCC1 ZINC000072521005 541825434 /nfs/dbraw/zinc/82/54/34/541825434.db2.gz NNGVFEMUZGFXRI-RBUKOAKNSA-N 1 3 368.566 2.249 20 0 FEADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)C1CCOCC1 ZINC000072521005 541825439 /nfs/dbraw/zinc/82/54/39/541825439.db2.gz NNGVFEMUZGFXRI-RBUKOAKNSA-N 1 3 368.566 2.249 20 0 FEADHO C[NH+](C)CCC1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000073643339 541979228 /nfs/dbraw/zinc/97/92/28/541979228.db2.gz GVWBSVGNNZHLTR-UHFFFAOYSA-N 1 3 372.557 2.389 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000073700650 541988185 /nfs/dbraw/zinc/98/81/85/541988185.db2.gz FKQHMYMTDYGGGE-VQTJNVASSA-N 1 3 356.514 2.185 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC000073700650 541988190 /nfs/dbraw/zinc/98/81/90/541988190.db2.gz FKQHMYMTDYGGGE-VQTJNVASSA-N 1 3 356.514 2.185 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000073706491 541988685 /nfs/dbraw/zinc/98/86/85/541988685.db2.gz MZDXVAFWUOZMMV-OALUTQOASA-N 1 3 374.529 2.048 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000073706491 541988689 /nfs/dbraw/zinc/98/86/89/541988689.db2.gz MZDXVAFWUOZMMV-OALUTQOASA-N 1 3 374.529 2.048 20 0 FEADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000074058217 542031627 /nfs/dbraw/zinc/03/16/27/542031627.db2.gz FAMRASORWJFRCF-LJQANCHMSA-N 1 3 363.546 2.356 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079732878 542539085 /nfs/dbraw/zinc/53/90/85/542539085.db2.gz OBPQBNMPMOFYBY-UXHICEINSA-N 1 3 358.530 2.429 20 0 FEADHO C[NH+](C)CCN(Cc1ccco1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000088250836 542749213 /nfs/dbraw/zinc/74/92/13/542749213.db2.gz PPYCPEMNYWGJHM-UHFFFAOYSA-N 1 3 363.502 2.205 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CCC(N)=O)C2)CC1 ZINC000092660522 542879056 /nfs/dbraw/zinc/87/90/56/542879056.db2.gz XZQRZCALZNIAAV-GOSISDBHSA-N 1 3 358.530 2.306 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](CCC(N)=O)C2)CC1 ZINC000092660522 542879059 /nfs/dbraw/zinc/87/90/59/542879059.db2.gz XZQRZCALZNIAAV-GOSISDBHSA-N 1 3 358.530 2.306 20 0 FEADHO CC(=O)NC1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000092669859 542880770 /nfs/dbraw/zinc/88/07/70/542880770.db2.gz BQHFPYCXHHRGOQ-UHFFFAOYSA-N 1 3 358.530 2.318 20 0 FEADHO CN(c1ccccc1C[N@@H+]1CCC[C@H](CC(N)=O)C1)C1CCN(C)CC1 ZINC000093808940 542941438 /nfs/dbraw/zinc/94/14/38/542941438.db2.gz OFODTCCTYBDFKO-QGZVFWFLSA-N 1 3 358.530 2.304 20 0 FEADHO CN(c1ccccc1C[N@H+]1CCC[C@H](CC(N)=O)C1)C1CCN(C)CC1 ZINC000093808940 542941441 /nfs/dbraw/zinc/94/14/41/542941441.db2.gz OFODTCCTYBDFKO-QGZVFWFLSA-N 1 3 358.530 2.304 20 0 FEADHO CCN1CCC(NC(=O)CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000103229791 543097829 /nfs/dbraw/zinc/09/78/29/543097829.db2.gz MEZUDPFJRPJNEP-LJQANCHMSA-N 1 3 364.578 2.175 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[N@H+](C)C1CC1 ZINC000105266806 543167623 /nfs/dbraw/zinc/16/76/23/543167623.db2.gz IHOPYZCLBHMCES-HNNXBMFYSA-N 1 3 350.482 2.382 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[N@@H+](C)C1CC1 ZINC000105266806 543167626 /nfs/dbraw/zinc/16/76/26/543167626.db2.gz IHOPYZCLBHMCES-HNNXBMFYSA-N 1 3 350.482 2.382 20 0 FEADHO CCCCN(CCOC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000109397217 543324378 /nfs/dbraw/zinc/32/43/78/543324378.db2.gz IZMWCHACAWYQIJ-UHFFFAOYSA-N 1 3 354.539 2.003 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000111464808 543403063 /nfs/dbraw/zinc/40/30/63/543403063.db2.gz GNODQAUJDZINHS-GOSISDBHSA-N 1 3 362.518 2.301 20 0 FEADHO CCCC[N@H+](C)CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000112466442 543447946 /nfs/dbraw/zinc/44/79/46/543447946.db2.gz PQVDVQSQJRLYNA-HDICACEKSA-N 1 3 368.566 2.249 20 0 FEADHO CCCC[N@@H+](C)CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000112466442 543447948 /nfs/dbraw/zinc/44/79/48/543447948.db2.gz PQVDVQSQJRLYNA-HDICACEKSA-N 1 3 368.566 2.249 20 0 FEADHO CCN1CCN([C@H](C)CNC(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1 ZINC000112916992 543467804 /nfs/dbraw/zinc/46/78/04/543467804.db2.gz WEFGNHKDGYAHOM-GOSISDBHSA-N 1 3 372.557 2.427 20 0 FEADHO CCN1CCN([C@H](C)CNC(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)CC1 ZINC000112916992 543467806 /nfs/dbraw/zinc/46/78/06/543467806.db2.gz WEFGNHKDGYAHOM-GOSISDBHSA-N 1 3 372.557 2.427 20 0 FEADHO C[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)Oc1ccccc1 ZINC000113974197 543500016 /nfs/dbraw/zinc/50/00/16/543500016.db2.gz XHTCAGKWEIEVMZ-QGZVFWFLSA-N 1 3 374.529 2.312 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CCCC3)C2)[C@H](C)C1 ZINC000115852127 543590864 /nfs/dbraw/zinc/59/08/64/543590864.db2.gz ZXOXBEVZXFECKR-QYZOEREBSA-N 1 3 366.550 2.003 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CCCC3)C2)[C@H](C)C1 ZINC000115852127 543590867 /nfs/dbraw/zinc/59/08/67/543590867.db2.gz ZXOXBEVZXFECKR-QYZOEREBSA-N 1 3 366.550 2.003 20 0 FEADHO CC(C)N(C)CCNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000118122686 543647108 /nfs/dbraw/zinc/64/71/08/543647108.db2.gz HMDGFGBGBFQEEA-KRWDZBQOSA-N 1 3 374.529 2.313 20 0 FEADHO CC(C)N(C)CCNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000118122686 543647109 /nfs/dbraw/zinc/64/71/09/543647109.db2.gz HMDGFGBGBFQEEA-KRWDZBQOSA-N 1 3 374.529 2.313 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@]3(C)CCC[NH2+]3)CC2)c1 ZINC000121739056 543699059 /nfs/dbraw/zinc/69/90/59/543699059.db2.gz PUBCTDZOFMPQFV-NRFANRHFSA-N 1 3 358.530 2.156 20 0 FEADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000118777696 543658450 /nfs/dbraw/zinc/65/84/50/543658450.db2.gz ZKRJWQBIBARTNM-FQEVSTJZSA-N 1 3 373.541 2.311 20 0 FEADHO CCN(CC)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124538912 543828381 /nfs/dbraw/zinc/82/83/81/543828381.db2.gz ADKKZSGPWJQOMJ-RTBURBONSA-N 1 3 352.567 2.124 20 0 FEADHO CCN(CC)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124538912 543828383 /nfs/dbraw/zinc/82/83/83/543828383.db2.gz ADKKZSGPWJQOMJ-RTBURBONSA-N 1 3 352.567 2.124 20 0 FEADHO COCCCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000127694482 544008664 /nfs/dbraw/zinc/00/86/64/544008664.db2.gz BNCBLKWDVNQVLB-SFHVURJKSA-N 1 3 368.566 2.155 20 0 FEADHO COCCCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000127694482 544008668 /nfs/dbraw/zinc/00/86/68/544008668.db2.gz BNCBLKWDVNQVLB-SFHVURJKSA-N 1 3 368.566 2.155 20 0 FEADHO C[C@@H](c1ccccn1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127504454 543997599 /nfs/dbraw/zinc/99/75/99/543997599.db2.gz TWDHWCGCBRUYSQ-INIZCTEOSA-N 1 3 359.518 2.343 20 0 FEADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128646610 544064441 /nfs/dbraw/zinc/06/44/41/544064441.db2.gz SGJONUIDJXTVQR-QGZVFWFLSA-N 1 3 362.518 2.030 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000129867986 544130166 /nfs/dbraw/zinc/13/01/66/544130166.db2.gz QOWZBYRPUGXQCB-IBGZPJMESA-N 1 3 374.529 2.442 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000129867986 544130168 /nfs/dbraw/zinc/13/01/68/544130168.db2.gz QOWZBYRPUGXQCB-IBGZPJMESA-N 1 3 374.529 2.442 20 0 FEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000131511139 544192862 /nfs/dbraw/zinc/19/28/62/544192862.db2.gz RKXTWPKWHITFIU-INIZCTEOSA-N 1 3 373.497 2.461 20 0 FEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131511139 544192864 /nfs/dbraw/zinc/19/28/64/544192864.db2.gz RKXTWPKWHITFIU-INIZCTEOSA-N 1 3 373.497 2.461 20 0 FEADHO CCS(=O)(=O)NCCCN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000133782727 544283087 /nfs/dbraw/zinc/28/30/87/544283087.db2.gz JZJXKJXQIQTTIY-KRWDZBQOSA-N 1 3 359.580 2.292 20 0 FEADHO CCS(=O)(=O)NCCCN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000133782727 544283088 /nfs/dbraw/zinc/28/30/88/544283088.db2.gz JZJXKJXQIQTTIY-KRWDZBQOSA-N 1 3 359.580 2.292 20 0 FEADHO C[C@H](CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[N@H+](C)C1CC1 ZINC000133934413 544288230 /nfs/dbraw/zinc/28/82/30/544288230.db2.gz IOTHHALCOLVFJJ-HZPDHXFCSA-N 1 3 359.518 2.389 20 0 FEADHO C[C@H](CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[N@@H+](C)C1CC1 ZINC000133934413 544288231 /nfs/dbraw/zinc/28/82/31/544288231.db2.gz IOTHHALCOLVFJJ-HZPDHXFCSA-N 1 3 359.518 2.389 20 0 FEADHO CC[C@@]1(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)CCC[NH2+]1 ZINC000134598281 544314772 /nfs/dbraw/zinc/31/47/72/544314772.db2.gz VPDCITAVKRWFJN-CTNGQTDRSA-N 1 3 359.514 2.080 20 0 FEADHO CN(C)CCOc1cc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)ccn1 ZINC000137310160 544388753 /nfs/dbraw/zinc/38/87/53/544388753.db2.gz XHXNDDZQNKIDEC-SFHVURJKSA-N 1 3 360.502 2.016 20 0 FEADHO CN(C)CCOc1cc(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)ccn1 ZINC000137310160 544388754 /nfs/dbraw/zinc/38/87/54/544388754.db2.gz XHXNDDZQNKIDEC-SFHVURJKSA-N 1 3 360.502 2.016 20 0 FEADHO COCCN1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000138640222 544397087 /nfs/dbraw/zinc/39/70/87/544397087.db2.gz QODVWBZKWLZKPA-IBGZPJMESA-N 1 3 359.514 2.126 20 0 FEADHO COCCN1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000138640222 544397088 /nfs/dbraw/zinc/39/70/88/544397088.db2.gz QODVWBZKWLZKPA-IBGZPJMESA-N 1 3 359.514 2.126 20 0 FEADHO CN1CCCN(CCC[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)CC1 ZINC000152209251 544626036 /nfs/dbraw/zinc/62/60/36/544626036.db2.gz DRZBXABLILETLT-UHFFFAOYSA-N 1 3 352.567 2.031 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc2)CC1 ZINC000154264704 544883700 /nfs/dbraw/zinc/88/37/00/544883700.db2.gz KSVJGTRLKYEGTL-CTNGQTDRSA-N 1 3 370.541 2.385 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc2)CC1 ZINC000154264704 544883703 /nfs/dbraw/zinc/88/37/03/544883703.db2.gz KSVJGTRLKYEGTL-CTNGQTDRSA-N 1 3 370.541 2.385 20 0 FEADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCN2C2CCOCC2)c1 ZINC000154860797 544958554 /nfs/dbraw/zinc/95/85/54/544958554.db2.gz NEEPBAHROANORW-HXUWFJFHSA-N 1 3 359.514 2.398 20 0 FEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCN2C2CCOCC2)c1 ZINC000154860797 544958558 /nfs/dbraw/zinc/95/85/58/544958558.db2.gz NEEPBAHROANORW-HXUWFJFHSA-N 1 3 359.514 2.398 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1(C)C ZINC000188079818 328064581 /nfs/dbraw/zinc/06/45/81/328064581.db2.gz VCGOETQARUGWNG-AXVVYFOYSA-N 1 3 353.551 2.393 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1(C)C ZINC000188079818 328064583 /nfs/dbraw/zinc/06/45/83/328064583.db2.gz VCGOETQARUGWNG-AXVVYFOYSA-N 1 3 353.551 2.393 20 0 FEADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1(C)C ZINC000188041177 328062206 /nfs/dbraw/zinc/06/22/06/328062206.db2.gz OOEZFVXJQAKQNJ-GHTZIAJQSA-N 1 3 359.514 2.431 20 0 FEADHO CN(C)[C@@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000077671079 325003736 /nfs/dbraw/zinc/00/37/36/325003736.db2.gz RZJQPEACVMTKMP-XLIONFOSSA-N 1 3 374.529 2.089 20 0 FEADHO CC1CCN(CCNC(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000079180954 325080176 /nfs/dbraw/zinc/08/01/76/325080176.db2.gz HZHRNMSRLKRNPS-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000079181013 325080309 /nfs/dbraw/zinc/08/03/09/325080309.db2.gz KQBODASOETZCRR-IBGZPJMESA-N 1 3 374.529 2.397 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)NC1CCN(C)CC1 ZINC000079205663 325082089 /nfs/dbraw/zinc/08/20/89/325082089.db2.gz IWGJARJBNIPWQM-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237608995 328522134 /nfs/dbraw/zinc/52/21/34/328522134.db2.gz JDRNBCXPIUNKMV-KRWDZBQOSA-N 1 3 363.527 2.251 20 0 FEADHO C[C@H](NC(=O)NCc1ccc(OCCN(C)C)cc1)C(C)(C)C[NH+](C)C ZINC000085359347 325250567 /nfs/dbraw/zinc/25/05/67/325250567.db2.gz LOJCOQFKHBCVSP-INIZCTEOSA-N 1 3 364.534 2.403 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCCN2CCOC)CC1 ZINC000088699413 325299713 /nfs/dbraw/zinc/29/97/13/325299713.db2.gz RRGCOOQVKHWGQC-OAQYLSRUSA-N 1 3 374.573 2.419 20 0 FEADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCN1C1CCOCC1 ZINC000089393460 325314927 /nfs/dbraw/zinc/31/49/27/325314927.db2.gz SYKABLGCRJARST-FQEVSTJZSA-N 1 3 372.513 2.058 20 0 FEADHO CC[C@@H](CSC)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000091215643 325380435 /nfs/dbraw/zinc/38/04/35/325380435.db2.gz KUCRVYXEZIYUMJ-INIZCTEOSA-N 1 3 356.580 2.328 20 0 FEADHO CC(C)[C@H](C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)N(C)C ZINC000112318798 325771898 /nfs/dbraw/zinc/77/18/98/325771898.db2.gz LQPKXKTWSQQSPR-GOSISDBHSA-N 1 3 360.502 2.037 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000120263373 326245134 /nfs/dbraw/zinc/24/51/34/326245134.db2.gz PJVWGAPNLQFNFH-FPOVZHCZSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000120263373 326245135 /nfs/dbraw/zinc/24/51/35/326245135.db2.gz PJVWGAPNLQFNFH-FPOVZHCZSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000154262356 326755343 /nfs/dbraw/zinc/75/53/43/326755343.db2.gz HPPAVGWBXOSXFF-MRXNPFEDSA-N 1 3 365.518 2.391 20 0 FEADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000154393994 326758830 /nfs/dbraw/zinc/75/88/30/326758830.db2.gz NHGJOGKMTZMTAY-GOSISDBHSA-N 1 3 358.530 2.492 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC000156568160 326836255 /nfs/dbraw/zinc/83/62/55/326836255.db2.gz IICCTOFRDMGGPY-HKUYNNGSSA-N 1 3 358.530 2.416 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000161684171 327006238 /nfs/dbraw/zinc/00/62/38/327006238.db2.gz IALBKTIRIWQRPO-SJORKVTESA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000161684171 327006239 /nfs/dbraw/zinc/00/62/39/327006239.db2.gz IALBKTIRIWQRPO-SJORKVTESA-N 1 3 354.539 2.002 20 0 FEADHO O=C(Nc1cccc(CN2CCCCC2)c1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000165134724 327076712 /nfs/dbraw/zinc/07/67/12/327076712.db2.gz RWJHEBVFIIIZHP-UHFFFAOYSA-N 1 3 368.485 2.441 20 0 FEADHO COC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000171057792 327114871 /nfs/dbraw/zinc/11/48/71/327114871.db2.gz LQTWAOCYVUIGIW-FQEVSTJZSA-N 1 3 374.529 2.232 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccc(F)cc1 ZINC000171166105 327121885 /nfs/dbraw/zinc/12/18/85/327121885.db2.gz FLVVZQOEGCZGIH-IBGZPJMESA-N 1 3 364.509 2.426 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccc(F)cc1 ZINC000171166105 327121886 /nfs/dbraw/zinc/12/18/86/327121886.db2.gz FLVVZQOEGCZGIH-IBGZPJMESA-N 1 3 364.509 2.426 20 0 FEADHO COCCCN1CCC(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000171208365 327124760 /nfs/dbraw/zinc/12/47/60/327124760.db2.gz YZXHYFAIGGKTGU-UHFFFAOYSA-N 1 3 366.550 2.005 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000171547107 327145130 /nfs/dbraw/zinc/14/51/30/327145130.db2.gz OAHIICGLLMBCNC-UHFFFAOYSA-N 1 3 359.518 2.029 20 0 FEADHO CN(CCC(=O)Nc1ccccc1C(=O)NC1CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000172583071 327209685 /nfs/dbraw/zinc/20/96/85/327209685.db2.gz ASZFPQCIWLSUEK-MRXNPFEDSA-N 1 3 372.513 2.181 20 0 FEADHO CN(CCC(=O)Nc1ccccc1C(=O)NC1CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172583071 327209686 /nfs/dbraw/zinc/20/96/86/327209686.db2.gz ASZFPQCIWLSUEK-MRXNPFEDSA-N 1 3 372.513 2.181 20 0 FEADHO CN(C)[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccccc1 ZINC000173325997 327249836 /nfs/dbraw/zinc/24/98/36/327249836.db2.gz WSPRDXANFPTTMT-MOPGFXCFSA-N 1 3 362.518 2.042 20 0 FEADHO C[NH+](C)CCn1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)n1 ZINC000173912515 327293894 /nfs/dbraw/zinc/29/38/94/327293894.db2.gz GYDGLTBNHQGQQB-GOSISDBHSA-N 1 3 370.501 2.403 20 0 FEADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000174015378 327301608 /nfs/dbraw/zinc/30/16/08/327301608.db2.gz AUAHIWUJWYPKDB-KRWDZBQOSA-N 1 3 368.591 2.474 20 0 FEADHO Cc1ccc(NC(=O)[C@@H](C)N(C)CCC[NH+]2CCN(C)CC2)cc1F ZINC000174711801 327345113 /nfs/dbraw/zinc/34/51/13/327345113.db2.gz WJKQNLLJPQSNIP-MRXNPFEDSA-N 1 3 350.482 2.030 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000176627673 327466893 /nfs/dbraw/zinc/46/68/93/327466893.db2.gz RFDCECFSGWLPCF-GOSISDBHSA-N 1 3 354.539 2.002 20 0 FEADHO CC1CCN([C@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c2cccs2)CC1 ZINC000261711886 328813814 /nfs/dbraw/zinc/81/38/14/328813814.db2.gz ISMNBGDTZHTJPS-OAGGEKHMSA-N 1 3 351.516 2.144 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)N(C)C)cc1 ZINC000262718713 328883969 /nfs/dbraw/zinc/88/39/69/328883969.db2.gz HLFIXTWTAXHMQB-PKOBYXMFSA-N 1 3 355.486 2.149 20 0 FEADHO CCN(C)[C@H](C(=O)NCCCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000265118935 329092836 /nfs/dbraw/zinc/09/28/36/329092836.db2.gz NEFIGOHBWBBZMZ-FQEVSTJZSA-N 1 3 360.546 2.213 20 0 FEADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCN(CCOC)C2)cc1 ZINC000265496055 329132901 /nfs/dbraw/zinc/13/29/01/329132901.db2.gz BZMDHWXDUZFSCF-LJQANCHMSA-N 1 3 362.518 2.048 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](CCOC)C1)c1ccsc1 ZINC000265614793 329143186 /nfs/dbraw/zinc/14/31/86/329143186.db2.gz ORBHBVSUAZGPGL-DLBZAZTESA-N 1 3 368.547 2.151 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CCOC)C1)c1ccsc1 ZINC000265614793 329143188 /nfs/dbraw/zinc/14/31/88/329143188.db2.gz ORBHBVSUAZGPGL-DLBZAZTESA-N 1 3 368.547 2.151 20 0 FEADHO [NH3+][C@H]1CCC[C@@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000269277886 329503084 /nfs/dbraw/zinc/50/30/84/329503084.db2.gz YKIWPWURZZJJGK-WBVHZDCISA-N 1 3 363.477 2.303 20 0 FEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000273206017 329845428 /nfs/dbraw/zinc/84/54/28/329845428.db2.gz KPWCHKGFAXMGSS-ZDUSSCGKSA-N 1 3 362.474 2.261 20 0 FEADHO C[NH+](C)[C@@H](CNC(=O)CN1CCC(c2ncc[nH]2)CC1)c1ccccc1 ZINC000274107437 329916381 /nfs/dbraw/zinc/91/63/81/329916381.db2.gz TUTQHNBUZQETGD-SFHVURJKSA-N 1 3 355.486 2.008 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000279072356 330172684 /nfs/dbraw/zinc/17/26/84/330172684.db2.gz UDRBKDWMRYTAPG-MRXNPFEDSA-N 1 3 367.497 2.189 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccnn2-c2ccccc2OC)CC1 ZINC000281814317 330176438 /nfs/dbraw/zinc/17/64/38/330176438.db2.gz WDJYUSGLXCWXPD-SFHVURJKSA-N 1 3 371.529 2.244 20 0 FEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000477631190 561149909 /nfs/dbraw/zinc/14/99/09/561149909.db2.gz BIIGUDSJLRDVIA-WOJBJXKFSA-N 1 3 361.530 2.426 20 0 FEADHO [NH3+]C1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000157650836 545767085 /nfs/dbraw/zinc/76/70/85/545767085.db2.gz BOTKMFDZPUYRAS-KRWDZBQOSA-N 1 3 355.404 2.391 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000158958589 545909088 /nfs/dbraw/zinc/90/90/88/545909088.db2.gz PNPDZORFTMCIFF-NRFANRHFSA-N 1 3 372.557 2.356 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000177849431 546696091 /nfs/dbraw/zinc/69/60/91/546696091.db2.gz BMQXZDMZHQCCKV-SFHVURJKSA-N 1 3 362.518 2.110 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000177849431 546696097 /nfs/dbraw/zinc/69/60/97/546696097.db2.gz BMQXZDMZHQCCKV-SFHVURJKSA-N 1 3 362.518 2.110 20 0 FEADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)C1(OC)CC[NH2+]CC1 ZINC000178845389 546860759 /nfs/dbraw/zinc/86/07/59/546860759.db2.gz CCDPQQWMDRVYLY-IBGZPJMESA-N 1 3 359.514 2.126 20 0 FEADHO CN(C)[C@]1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCSC1 ZINC000481777415 561241753 /nfs/dbraw/zinc/24/17/53/561241753.db2.gz JQDLOIJAGREDHU-WMZOPIPTSA-N 1 3 354.564 2.084 20 0 FEADHO C[NH+](C)[C@]1(CNC(=O)N2CCN(CCC(C)(C)C)CC2)CCSC1 ZINC000481785371 561242322 /nfs/dbraw/zinc/24/23/22/561242322.db2.gz QSEASOIAQZUWOP-SFHVURJKSA-N 1 3 356.580 2.187 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000482452015 561254160 /nfs/dbraw/zinc/25/41/60/561254160.db2.gz SZUNEJINJUWASC-ZBFHGGJFSA-N 1 3 373.588 2.251 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000482452015 561254161 /nfs/dbraw/zinc/25/41/61/561254161.db2.gz SZUNEJINJUWASC-ZBFHGGJFSA-N 1 3 373.588 2.251 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NCc2cccc(-n3cncn3)c2)[C@@H](C)C1 ZINC000483194454 561269892 /nfs/dbraw/zinc/26/98/92/561269892.db2.gz ITTDIQAFLKMTNK-PXNSSMCTSA-N 1 3 357.502 2.494 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NCc2cccc(-n3cncn3)c2)[C@@H](C)C1 ZINC000483194454 561269893 /nfs/dbraw/zinc/26/98/93/561269893.db2.gz ITTDIQAFLKMTNK-PXNSSMCTSA-N 1 3 357.502 2.494 20 0 FEADHO OCCN(CC1(C[N@H+](CCO)C2CCCCC2)COC1)C1CCCCC1 ZINC000182356959 547478382 /nfs/dbraw/zinc/47/83/82/547478382.db2.gz YMJKUXONBTYJRS-UHFFFAOYSA-N 1 3 368.562 2.257 20 0 FEADHO OCCN(CC1(C[N@@H+](CCO)C2CCCCC2)COC1)C1CCCCC1 ZINC000182356959 547478386 /nfs/dbraw/zinc/47/83/86/547478386.db2.gz YMJKUXONBTYJRS-UHFFFAOYSA-N 1 3 368.562 2.257 20 0 FEADHO C[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183497093 547671747 /nfs/dbraw/zinc/67/17/47/547671747.db2.gz AJDYQHBRRPQGKQ-JKSUJKDBSA-N 1 3 362.522 2.219 20 0 FEADHO C[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183497093 547671749 /nfs/dbraw/zinc/67/17/49/547671749.db2.gz AJDYQHBRRPQGKQ-JKSUJKDBSA-N 1 3 362.522 2.219 20 0 FEADHO COc1cc(NC(=O)CCN2CC[C@H]([C@@H](C)[NH3+])C2)c(OC)cc1Cl ZINC000484903926 561308209 /nfs/dbraw/zinc/30/82/09/561308209.db2.gz IEYOPLBEMOIRFP-NEPJUHHUSA-N 1 3 355.866 2.355 20 0 FEADHO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000184977680 547910191 /nfs/dbraw/zinc/91/01/91/547910191.db2.gz ZNYTTXODKFYQDW-ICSRJNTNSA-N 1 3 360.546 2.069 20 0 FEADHO CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000184977680 547910193 /nfs/dbraw/zinc/91/01/93/547910193.db2.gz ZNYTTXODKFYQDW-ICSRJNTNSA-N 1 3 360.546 2.069 20 0 FEADHO O=C(NCCNc1cc[nH+]cc1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000485709974 561326384 /nfs/dbraw/zinc/32/63/84/561326384.db2.gz QWKMGYFVJSWNEI-SFHVURJKSA-N 1 3 374.435 2.189 20 0 FEADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CN2CCN1CCC2 ZINC000486615689 561352397 /nfs/dbraw/zinc/35/23/97/561352397.db2.gz PFPAXPJMJHJOMH-OAQYLSRUSA-N 1 3 370.541 2.069 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(SC)CCC1 ZINC000195095603 548575791 /nfs/dbraw/zinc/57/57/91/548575791.db2.gz JQYVERVTYVNLCW-MRXNPFEDSA-N 1 3 356.580 2.330 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(SC)CCC1 ZINC000195095603 548575796 /nfs/dbraw/zinc/57/57/96/548575796.db2.gz JQYVERVTYVNLCW-MRXNPFEDSA-N 1 3 356.580 2.330 20 0 FEADHO CC(C)[C@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000236736454 548777300 /nfs/dbraw/zinc/77/73/00/548777300.db2.gz PPNGLDKWOBAPFM-KRWDZBQOSA-N 1 3 353.894 2.283 20 0 FEADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CN2CCN1CCC2 ZINC000487558848 561371813 /nfs/dbraw/zinc/37/18/13/561371813.db2.gz PHGVCXSDMNHQQB-NRFANRHFSA-N 1 3 370.541 2.069 20 0 FEADHO C[NH2+]C[C@@H](C)CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237309942 548817466 /nfs/dbraw/zinc/81/74/66/548817466.db2.gz SFOPHIJCRZPTRJ-RHSMWYFYSA-N 1 3 357.420 2.413 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)C[C@@H](C)O1 ZINC000237402268 548823947 /nfs/dbraw/zinc/82/39/47/548823947.db2.gz MZPLNNBKHXKHNT-IAGOWNOFSA-N 1 3 359.514 2.497 20 0 FEADHO C[C@H](CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)C1CC[NH2+]CC1 ZINC000237672531 548843398 /nfs/dbraw/zinc/84/33/98/548843398.db2.gz NJSNPWCTSLOIQL-GOSISDBHSA-N 1 3 372.557 2.076 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000245451619 548924532 /nfs/dbraw/zinc/92/45/32/548924532.db2.gz PQVJIUYLPOBZAG-JBACZVJFSA-N 1 3 372.557 2.039 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000245451619 548924536 /nfs/dbraw/zinc/92/45/36/548924536.db2.gz PQVJIUYLPOBZAG-JBACZVJFSA-N 1 3 372.557 2.039 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)C1 ZINC000246028918 549038719 /nfs/dbraw/zinc/03/87/19/549038719.db2.gz VVVNFBATSVEFJT-ZSYWTGECSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)C1 ZINC000246028918 549038722 /nfs/dbraw/zinc/03/87/22/549038722.db2.gz VVVNFBATSVEFJT-ZSYWTGECSA-N 1 3 350.551 2.480 20 0 FEADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C2)C1 ZINC000488394475 561389256 /nfs/dbraw/zinc/38/92/56/561389256.db2.gz FZDOFMQMRCOIKI-TZIWHRDSSA-N 1 3 356.514 2.388 20 0 FEADHO C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C2)C1 ZINC000488394475 561389257 /nfs/dbraw/zinc/38/92/57/561389257.db2.gz FZDOFMQMRCOIKI-TZIWHRDSSA-N 1 3 356.514 2.388 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)[C@@H](C)C1 ZINC000246340165 549110487 /nfs/dbraw/zinc/11/04/87/549110487.db2.gz OICGTQQPUHDRGJ-ZSYWTGECSA-N 1 3 368.566 2.105 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)[C@@H](C)C1 ZINC000246340165 549110492 /nfs/dbraw/zinc/11/04/92/549110492.db2.gz OICGTQQPUHDRGJ-ZSYWTGECSA-N 1 3 368.566 2.105 20 0 FEADHO C[C@H](CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000488536035 561391471 /nfs/dbraw/zinc/39/14/71/561391471.db2.gz MYEDGDCDSWVTKM-WJFTUGDTSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H]1CCC[C@](CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)([NH+](C)C)C1 ZINC000246540745 549157562 /nfs/dbraw/zinc/15/75/62/549157562.db2.gz YDVUMPRYRXKIFX-GGPKGHCWSA-N 1 3 368.566 2.249 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccccc2OC)[C@@H](C)C1 ZINC000246559728 549161778 /nfs/dbraw/zinc/16/17/78/549161778.db2.gz KUUGPULIQNRTLW-UHOSZYNNSA-N 1 3 350.503 2.235 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccccc2OC)[C@@H](C)C1 ZINC000246559728 549161780 /nfs/dbraw/zinc/16/17/80/549161780.db2.gz KUUGPULIQNRTLW-UHOSZYNNSA-N 1 3 350.503 2.235 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)C[C@@H](C)O1 ZINC000246715837 549194629 /nfs/dbraw/zinc/19/46/29/549194629.db2.gz XEBIKROXMRPCPR-AFKBCAQJSA-N 1 3 363.546 2.255 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000246821178 549220754 /nfs/dbraw/zinc/22/07/54/549220754.db2.gz FZPWWXFWBSCELZ-NTDBWNAOSA-N 1 3 353.551 2.262 20 0 FEADHO CC(C)[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCCCC1 ZINC000247315503 549316508 /nfs/dbraw/zinc/31/65/08/549316508.db2.gz GAZNKGUCEFBPEO-VAMGGRTRSA-N 1 3 365.562 2.381 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000248805196 549504417 /nfs/dbraw/zinc/50/44/17/549504417.db2.gz KBAPZWDLFJYZMO-SJLPKXTDSA-N 1 3 370.501 2.087 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000489558359 561414240 /nfs/dbraw/zinc/41/42/40/561414240.db2.gz WPFGLDSLRUBFOZ-IMFGXOCKSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000489558359 561414241 /nfs/dbraw/zinc/41/42/41/561414241.db2.gz WPFGLDSLRUBFOZ-IMFGXOCKSA-N 1 3 356.514 2.433 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2cc(C)on2)[C@@H](C)C1 ZINC000249464039 549594113 /nfs/dbraw/zinc/59/41/13/549594113.db2.gz RUJUREBURXYYHW-GOEBONIOSA-N 1 3 352.479 2.038 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2cc(C)on2)[C@@H](C)C1 ZINC000249464039 549594115 /nfs/dbraw/zinc/59/41/15/549594115.db2.gz RUJUREBURXYYHW-GOEBONIOSA-N 1 3 352.479 2.038 20 0 FEADHO CNC(=O)[C@H](CCSC)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000489828579 561419895 /nfs/dbraw/zinc/41/98/95/561419895.db2.gz XMZGHDIOZOOZIH-MKXGPGLRSA-N 1 3 361.555 2.354 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000252000028 549660488 /nfs/dbraw/zinc/66/04/88/549660488.db2.gz WJGGLYUUEMVGIL-DLBZAZTESA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000252000028 549660491 /nfs/dbraw/zinc/66/04/91/549660491.db2.gz WJGGLYUUEMVGIL-DLBZAZTESA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000252537962 549673024 /nfs/dbraw/zinc/67/30/24/549673024.db2.gz BWHHDBWGSPKOQD-ZSYWTGECSA-N 1 3 368.566 2.105 20 0 FEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000252537962 549673028 /nfs/dbraw/zinc/67/30/28/549673028.db2.gz BWHHDBWGSPKOQD-ZSYWTGECSA-N 1 3 368.566 2.105 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2ccc(OC(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261944736 549773064 /nfs/dbraw/zinc/77/30/64/549773064.db2.gz YBYYHIHHIIXEIK-DOTOQJQBSA-N 1 3 367.440 2.368 20 0 FEADHO CC(C)N(C)c1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000261966886 549775442 /nfs/dbraw/zinc/77/54/42/549775442.db2.gz PXOBPLLFBPSVKY-HKUYNNGSSA-N 1 3 373.545 2.006 20 0 FEADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000261980699 549776189 /nfs/dbraw/zinc/77/61/89/549776189.db2.gz HVNDJFJDYWUKTI-SFHVURJKSA-N 1 3 358.530 2.045 20 0 FEADHO CN(CCN1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1)Cc1ccccc1 ZINC000263191491 549884599 /nfs/dbraw/zinc/88/45/99/549884599.db2.gz HXQYGAGERQUHED-IFMALSPDSA-N 1 3 372.557 2.170 20 0 FEADHO CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)c2C1 ZINC000264003774 549966725 /nfs/dbraw/zinc/96/67/25/549966725.db2.gz ZZAUNLKRAOPYNC-GJZGRUSLSA-N 1 3 360.502 2.052 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)COCc2ccccc2)[C@H](C)C1 ZINC000268909270 550130281 /nfs/dbraw/zinc/13/02/81/550130281.db2.gz NPUCYOSBZOEEAJ-GIVPXCGWSA-N 1 3 364.530 2.291 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)COCc2ccccc2)[C@H](C)C1 ZINC000268909270 550130282 /nfs/dbraw/zinc/13/02/82/550130282.db2.gz NPUCYOSBZOEEAJ-GIVPXCGWSA-N 1 3 364.530 2.291 20 0 FEADHO CSC[C@@H](C)N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000268984127 550140993 /nfs/dbraw/zinc/14/09/93/550140993.db2.gz DYBRAGNMGQDSAC-HUUCEWRRSA-N 1 3 373.588 2.319 20 0 FEADHO C[C@@H]1C[C@H](N[C@@H]2CCCN(S(C)(=O)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000269050252 550149408 /nfs/dbraw/zinc/14/94/08/550149408.db2.gz VSOVTYTUMNNOQU-BHIYHBOVSA-N 1 3 365.543 2.053 20 0 FEADHO C[C@@H]1C[C@H](N[C@@H]2CCCN(S(C)(=O)=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000269050252 550149411 /nfs/dbraw/zinc/14/94/11/550149411.db2.gz VSOVTYTUMNNOQU-BHIYHBOVSA-N 1 3 365.543 2.053 20 0 FEADHO CN(C)CCn1ncc(C(=O)NCC2CC[NH+](C)CC2)c1-c1ccccc1 ZINC000493957923 561460021 /nfs/dbraw/zinc/46/00/21/561460021.db2.gz LDANFIPGQRKZQT-UHFFFAOYSA-N 1 3 369.513 2.183 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)[C@H]2C1 ZINC000272347094 550439639 /nfs/dbraw/zinc/43/96/39/550439639.db2.gz NWADIWIYKZZIOJ-HBMCJLEFSA-N 1 3 370.541 2.287 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)[C@H]2C1 ZINC000272347094 550439640 /nfs/dbraw/zinc/43/96/40/550439640.db2.gz NWADIWIYKZZIOJ-HBMCJLEFSA-N 1 3 370.541 2.287 20 0 FEADHO C[C@H](NC(=O)NCC1=CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272559082 550457900 /nfs/dbraw/zinc/45/79/00/550457900.db2.gz RZTZHVMSORCWLS-PXNSSMCTSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@H](NC(=O)NCC1=CCN(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272559082 550457902 /nfs/dbraw/zinc/45/79/02/550457902.db2.gz RZTZHVMSORCWLS-PXNSSMCTSA-N 1 3 356.514 2.458 20 0 FEADHO CC[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1(C(=O)OC)CCC1 ZINC000272740630 550467885 /nfs/dbraw/zinc/46/78/85/550467885.db2.gz KXGCVQLRNBIPGH-OALUTQOASA-N 1 3 360.498 2.465 20 0 FEADHO C[C@H](NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)C1=CCN(C)CC1 ZINC000272752749 550469010 /nfs/dbraw/zinc/46/90/10/550469010.db2.gz NQXHXUBPIOOPDG-KRWDZBQOSA-N 1 3 374.529 2.467 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)CC[C@H]2CCC[NH2+]2)cc1)[C@H]1CCCN(C)C1 ZINC000494653004 561473437 /nfs/dbraw/zinc/47/34/37/561473437.db2.gz JWUTZZQIHIXZLN-MJGOQNOKSA-N 1 3 372.513 2.324 20 0 FEADHO CCOCC[C@H](O)C[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000277590872 550688586 /nfs/dbraw/zinc/68/85/86/550688586.db2.gz VRTBGFNAYLCSPQ-SFTDATJTSA-N 1 3 364.530 2.151 20 0 FEADHO CCOCC[C@H](O)C[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000277590872 550688587 /nfs/dbraw/zinc/68/85/87/550688587.db2.gz VRTBGFNAYLCSPQ-SFTDATJTSA-N 1 3 364.530 2.151 20 0 FEADHO CN(C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000494985197 561480429 /nfs/dbraw/zinc/48/04/29/561480429.db2.gz ZEHJZSAOFALHRU-OAQYLSRUSA-N 1 3 371.525 2.200 20 0 FEADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000278742762 550817025 /nfs/dbraw/zinc/81/70/25/550817025.db2.gz WSEGYLGHXYLANS-JKSUJKDBSA-N 1 3 369.531 2.210 20 0 FEADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000278742762 550817026 /nfs/dbraw/zinc/81/70/26/550817026.db2.gz WSEGYLGHXYLANS-JKSUJKDBSA-N 1 3 369.531 2.210 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000282771867 551268631 /nfs/dbraw/zinc/26/86/31/551268631.db2.gz WXCIFSGQCBYCEF-QGZVFWFLSA-N 1 3 370.545 2.247 20 0 FEADHO C[C@H](N[C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000284076631 551479672 /nfs/dbraw/zinc/47/96/72/551479672.db2.gz AZFMJCRGNJZWJF-WDYCEAGBSA-N 1 3 352.519 2.436 20 0 FEADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000498126669 561516625 /nfs/dbraw/zinc/51/66/25/561516625.db2.gz PZJGRKLZWCBOGX-XUVXKRRUSA-N 1 3 356.514 2.387 20 0 FEADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000498126669 561516626 /nfs/dbraw/zinc/51/66/26/561516626.db2.gz PZJGRKLZWCBOGX-XUVXKRRUSA-N 1 3 356.514 2.387 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)CC1 ZINC000498369454 561523654 /nfs/dbraw/zinc/52/36/54/561523654.db2.gz PLUSYPFYYNNQIL-OALUTQOASA-N 1 3 358.530 2.223 20 0 FEADHO C[N@@H+]1CCC[C@@H]1CCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000286194545 551859504 /nfs/dbraw/zinc/85/95/04/551859504.db2.gz XRXBIJJZYRTYTM-FGZHOGPDSA-N 1 3 356.558 2.363 20 0 FEADHO C[N@H+]1CCC[C@@H]1CCN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000286194545 551859505 /nfs/dbraw/zinc/85/95/05/551859505.db2.gz XRXBIJJZYRTYTM-FGZHOGPDSA-N 1 3 356.558 2.363 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000287439317 552004446 /nfs/dbraw/zinc/00/44/46/552004446.db2.gz FXTYMTRYVAJTNN-POAQFYNOSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000287439317 552004447 /nfs/dbraw/zinc/00/44/47/552004447.db2.gz FXTYMTRYVAJTNN-POAQFYNOSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000288084412 552088033 /nfs/dbraw/zinc/08/80/33/552088033.db2.gz KBGWCRDNCFMEDW-HKUYNNGSSA-N 1 3 374.529 2.395 20 0 FEADHO Cc1ccncc1CCC[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000290564993 552499220 /nfs/dbraw/zinc/49/92/20/552499220.db2.gz ZWMPDKYOIHENKB-UHFFFAOYSA-N 1 3 354.498 2.404 20 0 FEADHO CC(C)N1CCN(CCC[NH+]2CCC(c3nnc4n3CCCC4)CC2)CC1 ZINC000500992182 561587241 /nfs/dbraw/zinc/58/72/41/561587241.db2.gz ODNNJKCKVPTDOK-UHFFFAOYSA-N 1 3 374.577 2.210 20 0 FEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000290677498 552518036 /nfs/dbraw/zinc/51/80/36/552518036.db2.gz LBECPRQDBNYGQO-MRXNPFEDSA-N 1 3 350.507 2.155 20 0 FEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000290677498 552518038 /nfs/dbraw/zinc/51/80/38/552518038.db2.gz LBECPRQDBNYGQO-MRXNPFEDSA-N 1 3 350.507 2.155 20 0 FEADHO CC(C)N1CCN(CCC[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)CC1 ZINC000501032582 561588241 /nfs/dbraw/zinc/58/82/41/561588241.db2.gz OTRQAYJZJDHGLV-HXUWFJFHSA-N 1 3 360.546 2.212 20 0 FEADHO C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000292117082 552695555 /nfs/dbraw/zinc/69/55/55/552695555.db2.gz HLXBODITWMSXRW-NQIIRXRSSA-N 1 3 372.557 2.212 20 0 FEADHO C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@H+](C2CCC2)C1 ZINC000292117082 552695556 /nfs/dbraw/zinc/69/55/56/552695556.db2.gz HLXBODITWMSXRW-NQIIRXRSSA-N 1 3 372.557 2.212 20 0 FEADHO CC[N@H+](CC[C@H]1CCCN1C)C[C@H](O)COc1ccc(CCOC)cc1 ZINC000292954212 552774342 /nfs/dbraw/zinc/77/43/42/552774342.db2.gz KUSVWIULYCUTMB-UXHICEINSA-N 1 3 364.530 2.421 20 0 FEADHO CC[N@@H+](CC[C@H]1CCCN1C)C[C@H](O)COc1ccc(CCOC)cc1 ZINC000292954212 552774344 /nfs/dbraw/zinc/77/43/44/552774344.db2.gz KUSVWIULYCUTMB-UXHICEINSA-N 1 3 364.530 2.421 20 0 FEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](CO)CC1 ZINC000293001267 552779134 /nfs/dbraw/zinc/77/91/34/552779134.db2.gz CVNVOYCAVPCRQS-AZUAARDMSA-N 1 3 373.541 2.250 20 0 FEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](O)CC1 ZINC000293121330 552790677 /nfs/dbraw/zinc/79/06/77/552790677.db2.gz MHIQONKNGYCRHN-FXAWDEMLSA-N 1 3 359.514 2.003 20 0 FEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc(Br)n1 ZINC000293264365 552804835 /nfs/dbraw/zinc/80/48/35/552804835.db2.gz SFEZCPHBUQERMZ-UHFFFAOYSA-N 1 3 355.324 2.302 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000501648220 561602893 /nfs/dbraw/zinc/60/28/93/561602893.db2.gz GQEWQUYXWVBIDF-HDICACEKSA-N 1 3 353.551 2.456 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000501648220 561602894 /nfs/dbraw/zinc/60/28/94/561602894.db2.gz GQEWQUYXWVBIDF-HDICACEKSA-N 1 3 353.551 2.456 20 0 FEADHO CN(C)CCOc1ccccc1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000293639675 552843026 /nfs/dbraw/zinc/84/30/26/552843026.db2.gz IAHALVPJHXXNTM-UHFFFAOYSA-N 1 3 368.543 2.320 20 0 FEADHO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(CN3CC[C@H](C)[C@@H]3CO)c2)[C@@H]1CO ZINC000295854390 553068341 /nfs/dbraw/zinc/06/83/41/553068341.db2.gz BLMQHANBYAGFLR-ITKAJJHTSA-N 1 3 350.478 2.231 20 0 FEADHO C[C@@H]1CC[N@H+](Cc2ccc(F)c(CN3CC[C@H](C)[C@@H]3CO)c2)[C@@H]1CO ZINC000295854390 553068344 /nfs/dbraw/zinc/06/83/44/553068344.db2.gz BLMQHANBYAGFLR-ITKAJJHTSA-N 1 3 350.478 2.231 20 0 FEADHO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)CO2 ZINC000296244191 553128472 /nfs/dbraw/zinc/12/84/72/553128472.db2.gz AYQJQZRNQNWSOE-UXHICEINSA-N 1 3 368.477 2.355 20 0 FEADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCC3CCN(c4ccncc4)CC3)C2)C1 ZINC000297101170 553253404 /nfs/dbraw/zinc/25/34/04/553253404.db2.gz ANCVBUOBOZDYFS-NRFANRHFSA-N 1 3 371.529 2.425 20 0 FEADHO C[N@H+]1CCC[C@]2(CCN(C(=O)NCC3CCN(c4ccncc4)CC3)C2)C1 ZINC000297101170 553253406 /nfs/dbraw/zinc/25/34/06/553253406.db2.gz ANCVBUOBOZDYFS-NRFANRHFSA-N 1 3 371.529 2.425 20 0 FEADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000503198834 561636528 /nfs/dbraw/zinc/63/65/28/561636528.db2.gz ODNSLYVDYSORPH-BZSNNMDCSA-N 1 3 359.580 2.148 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000298236062 553401965 /nfs/dbraw/zinc/40/19/65/553401965.db2.gz BVERRGIJKSBEQP-VQTJNVASSA-N 1 3 374.573 2.275 20 0 FEADHO COc1ccc(OC)c([C@@H](O)C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298578564 553443483 /nfs/dbraw/zinc/44/34/83/553443483.db2.gz XPHVFUOIZUBARP-IBGZPJMESA-N 1 3 357.454 2.391 20 0 FEADHO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298589778 553445632 /nfs/dbraw/zinc/44/56/32/553445632.db2.gz YJLPYVNRVBUENI-HNNXBMFYSA-N 1 3 374.510 2.309 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000504212536 561654645 /nfs/dbraw/zinc/65/46/45/561654645.db2.gz NPXDPKCIKVDYSQ-UHFFFAOYSA-N 1 3 361.534 2.419 20 0 FEADHO CCOC(=O)C[C@H](O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000311912374 553755675 /nfs/dbraw/zinc/75/56/75/553755675.db2.gz FKTCMFCOFNICNR-IBGZPJMESA-N 1 3 360.498 2.289 20 0 FEADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccc(Br)cc1 ZINC000314601965 553759536 /nfs/dbraw/zinc/75/95/36/553759536.db2.gz SNVSGMBNHMFPBR-BBRMVZONSA-N 1 3 369.303 2.263 20 0 FEADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc(Br)cc1 ZINC000314601965 553759540 /nfs/dbraw/zinc/75/95/40/553759540.db2.gz SNVSGMBNHMFPBR-BBRMVZONSA-N 1 3 369.303 2.263 20 0 FEADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc(Br)cc1 ZINC000314601965 553759541 /nfs/dbraw/zinc/75/95/41/553759541.db2.gz SNVSGMBNHMFPBR-BBRMVZONSA-N 1 3 369.303 2.263 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccc(F)cc1 ZINC000505759885 561679700 /nfs/dbraw/zinc/67/97/00/561679700.db2.gz HYYCEDYRPBXOHJ-QGZVFWFLSA-N 1 3 351.466 2.079 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccc(F)cc1 ZINC000505759885 561679701 /nfs/dbraw/zinc/67/97/01/561679701.db2.gz HYYCEDYRPBXOHJ-QGZVFWFLSA-N 1 3 351.466 2.079 20 0 FEADHO C[C@H](CNC(=O)CC1(N2CCOCC2)CCCC1)[N@H+]1CCCC[C@@H]1C ZINC000530571867 562416273 /nfs/dbraw/zinc/41/62/73/562416273.db2.gz OHBUQAZANLZUHX-ZWKOTPCHSA-N 1 3 351.535 2.401 20 0 FEADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000506535792 561701432 /nfs/dbraw/zinc/70/14/32/561701432.db2.gz UYRRHHUDESSXPS-IRLDBZIGSA-N 1 3 373.541 2.346 20 0 FEADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000506535792 561701433 /nfs/dbraw/zinc/70/14/33/561701433.db2.gz UYRRHHUDESSXPS-IRLDBZIGSA-N 1 3 373.541 2.346 20 0 FEADHO Cc1oc2ccccc2c1CN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000333183156 554584715 /nfs/dbraw/zinc/58/47/15/554584715.db2.gz SIESSIAKYGCBBO-OALUTQOASA-N 1 3 368.481 2.461 20 0 FEADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000333412799 554610884 /nfs/dbraw/zinc/61/08/84/554610884.db2.gz RMAWVAQHORJQEF-HOTGVXAUSA-N 1 3 354.564 2.117 20 0 FEADHO C[C@H](NC(=O)NCC1(N2CCSCC2)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000333461966 554615467 /nfs/dbraw/zinc/61/54/67/554615467.db2.gz ZGRNXWKULCTCMI-DLBZAZTESA-N 1 3 368.591 2.425 20 0 FEADHO C[C@H](CNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)N1CCC(C)CC1 ZINC000333793994 554643748 /nfs/dbraw/zinc/64/37/48/554643748.db2.gz MWYBGFQNOCDCEM-NZSAHSFTSA-N 1 3 366.550 2.035 20 0 FEADHO [NH3+]C1(CNC(=O)NCC2(N3CCSCC3)CCCC2)CCCCC1 ZINC000333938627 554658427 /nfs/dbraw/zinc/65/84/27/554658427.db2.gz MPRVLEIPSRYMQX-UHFFFAOYSA-N 1 3 354.564 2.309 20 0 FEADHO C[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1cccc(OCCN(C)C)c1 ZINC000361123847 554904955 /nfs/dbraw/zinc/90/49/55/554904955.db2.gz HETYLUPJKKOFAV-SJLPKXTDSA-N 1 3 357.502 2.290 20 0 FEADHO O=C(NC1CC[NH+](CC2CC2)CC1)C1CCN(Cc2cccnc2)CC1 ZINC000361368386 554919470 /nfs/dbraw/zinc/91/94/70/554919470.db2.gz VAKAEGBIJSICBV-UHFFFAOYSA-N 1 3 356.514 2.284 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000362860257 554993587 /nfs/dbraw/zinc/99/35/87/554993587.db2.gz SHWDOTCATVLCOK-UXHICEINSA-N 1 3 373.545 2.277 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000362860257 554993589 /nfs/dbraw/zinc/99/35/89/554993589.db2.gz SHWDOTCATVLCOK-UXHICEINSA-N 1 3 373.545 2.277 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000363015044 555010900 /nfs/dbraw/zinc/01/09/00/555010900.db2.gz UAJSJBMVTDGBDD-GOSISDBHSA-N 1 3 373.545 2.262 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000363015044 555010903 /nfs/dbraw/zinc/01/09/03/555010903.db2.gz UAJSJBMVTDGBDD-GOSISDBHSA-N 1 3 373.545 2.262 20 0 FEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000363520087 555126616 /nfs/dbraw/zinc/12/66/16/555126616.db2.gz CVRICDOJTOCBHC-AZUAARDMSA-N 1 3 373.545 2.467 20 0 FEADHO C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363715315 555170332 /nfs/dbraw/zinc/17/03/32/555170332.db2.gz VDMMEHLWNLWVLY-DFQSSKMNSA-N 1 3 353.514 2.499 20 0 FEADHO C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363715315 555170335 /nfs/dbraw/zinc/17/03/35/555170335.db2.gz VDMMEHLWNLWVLY-DFQSSKMNSA-N 1 3 353.514 2.499 20 0 FEADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCCN(Cc4cccnc4)C3)[C@@H]2C1 ZINC000365021582 555466786 /nfs/dbraw/zinc/46/67/86/555466786.db2.gz ZFGIXEZTUGHZRM-XUVXKRRUSA-N 1 3 371.529 2.029 20 0 FEADHO C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCCN(Cc4cccnc4)C3)[C@@H]2C1 ZINC000365021582 555466787 /nfs/dbraw/zinc/46/67/87/555466787.db2.gz ZFGIXEZTUGHZRM-XUVXKRRUSA-N 1 3 371.529 2.029 20 0 FEADHO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000365721887 555650838 /nfs/dbraw/zinc/65/08/38/555650838.db2.gz IIFYFIJUODPCMK-RCCFBDPRSA-N 1 3 371.591 2.067 20 0 FEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@](O)(C2CC2)C1 ZINC000365834054 555678736 /nfs/dbraw/zinc/67/87/36/555678736.db2.gz AEYBVZGGUJIYTI-JTSKRJEESA-N 1 3 371.525 2.003 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@@H+]1CCC[C@H](C)C1 ZINC000365872693 555688868 /nfs/dbraw/zinc/68/88/68/555688868.db2.gz ATNZPMRPHUZQBZ-KSZLIROESA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@H+]1CCC[C@H](C)C1 ZINC000365872693 555688873 /nfs/dbraw/zinc/68/88/73/555688873.db2.gz ATNZPMRPHUZQBZ-KSZLIROESA-N 1 3 366.550 2.002 20 0 FEADHO C[NH+](C)CCOc1cnccc1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000366470689 555853457 /nfs/dbraw/zinc/85/34/57/555853457.db2.gz IYDIPUANTUFUIL-IBGZPJMESA-N 1 3 374.529 2.435 20 0 FEADHO C[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000367021025 555998912 /nfs/dbraw/zinc/99/89/12/555998912.db2.gz PESQNKCZPFGPAJ-RXVVDRJESA-N 1 3 353.514 2.330 20 0 FEADHO C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000367021025 555998915 /nfs/dbraw/zinc/99/89/15/555998915.db2.gz PESQNKCZPFGPAJ-RXVVDRJESA-N 1 3 353.514 2.330 20 0 FEADHO C[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367021025 555998916 /nfs/dbraw/zinc/99/89/16/555998916.db2.gz PESQNKCZPFGPAJ-RXVVDRJESA-N 1 3 353.514 2.330 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000368222241 556252537 /nfs/dbraw/zinc/25/25/37/556252537.db2.gz KSKVDTPTGXXGBT-QZTJIDSGSA-N 1 3 365.562 2.456 20 0 FEADHO C[C@H]1CN(CCCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCO1 ZINC000368433101 556308021 /nfs/dbraw/zinc/30/80/21/556308021.db2.gz LNCOCSNIPWDTMP-ZWKOTPCHSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@H]1CN(CCCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCO1 ZINC000368433101 556308023 /nfs/dbraw/zinc/30/80/23/556308023.db2.gz LNCOCSNIPWDTMP-ZWKOTPCHSA-N 1 3 351.535 2.258 20 0 FEADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000368482522 556323129 /nfs/dbraw/zinc/32/31/29/556323129.db2.gz KNSDJVGOOMLDGL-WLRLJWMZSA-N 1 3 371.525 2.332 20 0 FEADHO Cc1cc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)ccc1-n1cncn1 ZINC000368585555 556354027 /nfs/dbraw/zinc/35/40/27/556354027.db2.gz RWNXAJWBDNWYFP-GOSISDBHSA-N 1 3 368.529 2.176 20 0 FEADHO Cc1cc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)ccc1-n1cncn1 ZINC000368585555 556354030 /nfs/dbraw/zinc/35/40/30/556354030.db2.gz RWNXAJWBDNWYFP-GOSISDBHSA-N 1 3 368.529 2.176 20 0 FEADHO Cc1cc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)ccc1-n1cncn1 ZINC000368585555 556354031 /nfs/dbraw/zinc/35/40/31/556354031.db2.gz RWNXAJWBDNWYFP-GOSISDBHSA-N 1 3 368.529 2.176 20 0 FEADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368825988 556423402 /nfs/dbraw/zinc/42/34/02/556423402.db2.gz PHAFQQDHHKPTLW-IBGZPJMESA-N 1 3 364.578 2.127 20 0 FEADHO CN(C(=O)NCCC1CC[NH+](C)CC1)C1CCN(c2ccncc2)CC1 ZINC000368981891 556466604 /nfs/dbraw/zinc/46/66/04/556466604.db2.gz ZPALMOSKJAUEGL-UHFFFAOYSA-N 1 3 359.518 2.424 20 0 FEADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000369025737 556480357 /nfs/dbraw/zinc/48/03/57/556480357.db2.gz FDLGTKNTWKODKR-WOJBJXKFSA-N 1 3 374.529 2.191 20 0 FEADHO CS(=O)(=O)CC1CCC([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000516320875 562039710 /nfs/dbraw/zinc/03/97/10/562039710.db2.gz WSQSQDPEJQXUFC-UHFFFAOYSA-N 1 3 365.543 2.491 20 0 FEADHO CN1CC[C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]1c1cccnc1 ZINC000369815487 556702808 /nfs/dbraw/zinc/70/28/08/556702808.db2.gz ZWSZUYVRHINCNE-BJLQDIEVSA-N 1 3 371.529 2.391 20 0 FEADHO CN1CC[C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[C@@H]1c1cccnc1 ZINC000369815487 556702812 /nfs/dbraw/zinc/70/28/12/556702812.db2.gz ZWSZUYVRHINCNE-BJLQDIEVSA-N 1 3 371.529 2.391 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000370057294 556769537 /nfs/dbraw/zinc/76/95/37/556769537.db2.gz LSABMGNYOTYYCN-IBGZPJMESA-N 1 3 366.550 2.146 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CNCCC1(F)F ZINC000516634543 562052093 /nfs/dbraw/zinc/05/20/93/562052093.db2.gz NMZUEBQEPZFUDR-OIISXLGYSA-N 1 3 366.456 2.193 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CNCCC1(F)F ZINC000516634543 562052094 /nfs/dbraw/zinc/05/20/94/562052094.db2.gz NMZUEBQEPZFUDR-OIISXLGYSA-N 1 3 366.456 2.193 20 0 FEADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000370635066 556926598 /nfs/dbraw/zinc/92/65/98/556926598.db2.gz NWZSKSOQWSIRQB-AEFFLSMTSA-N 1 3 354.502 2.086 20 0 FEADHO Cc1ccc(F)cc1NC(=O)[C@@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000517258105 562083082 /nfs/dbraw/zinc/08/30/82/562083082.db2.gz RWGNFLSBVOXAFI-MRXNPFEDSA-N 1 3 352.498 2.276 20 0 FEADHO [NH3+][C@H](CC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000371280953 557129711 /nfs/dbraw/zinc/12/97/11/557129711.db2.gz SVZYGGDQWSYDFL-AZUAARDMSA-N 1 3 352.482 2.500 20 0 FEADHO C[C@@H]1CN(CCC(=O)NCC2CCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371303391 557138260 /nfs/dbraw/zinc/13/82/60/557138260.db2.gz OIEQIXPZEDJLIP-UYAOXDASSA-N 1 3 364.578 2.031 20 0 FEADHO CC1CCN(C[C@H](O)CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000517576032 562092917 /nfs/dbraw/zinc/09/29/17/562092917.db2.gz IDAISJQINKGJBQ-RTBURBONSA-N 1 3 368.566 2.033 20 0 FEADHO CC1CCN(C[C@H](O)CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000517576032 562092918 /nfs/dbraw/zinc/09/29/18/562092918.db2.gz IDAISJQINKGJBQ-RTBURBONSA-N 1 3 368.566 2.033 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000518095963 562104294 /nfs/dbraw/zinc/10/42/94/562104294.db2.gz FAIZIEXQMMCIFC-UHFFFAOYSA-N 1 3 368.566 2.297 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000518096253 562104513 /nfs/dbraw/zinc/10/45/13/562104513.db2.gz UIDXPFRZQFNWCR-INIZCTEOSA-N 1 3 356.555 2.151 20 0 FEADHO Fc1ccc(CCN2CCC([NH2+]C[C@@H]3CN4CCC[C@@H]4CO3)CC2)cc1 ZINC000372065602 557370758 /nfs/dbraw/zinc/37/07/58/557370758.db2.gz QVDVNSOYTUSZCN-NHCUHLMSSA-N 1 3 361.505 2.285 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000372073877 557372964 /nfs/dbraw/zinc/37/29/64/557372964.db2.gz PUJMXSDUTAWUCO-LMCOJAPRSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000372073877 557372966 /nfs/dbraw/zinc/37/29/66/557372966.db2.gz PUJMXSDUTAWUCO-LMCOJAPRSA-N 1 3 356.514 2.433 20 0 FEADHO C[NH+](C)[C@H](CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000372464213 557478065 /nfs/dbraw/zinc/47/80/65/557478065.db2.gz PMUJWNCAXHXMKP-PDOICOKGSA-N 1 3 351.535 2.146 20 0 FEADHO CN1CCN(Cc2ccc(NC(=O)C[C@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000519638756 562138168 /nfs/dbraw/zinc/13/81/68/562138168.db2.gz DLMJUOMBXMBGEG-FQEVSTJZSA-N 1 3 352.482 2.463 20 0 FEADHO CN1CC[C@H](CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)[C@@H]1c1cccs1 ZINC000372823446 557569702 /nfs/dbraw/zinc/56/97/02/557569702.db2.gz IQVUQFGJXBWTHJ-IIDMSEBBSA-N 1 3 373.526 2.292 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCCO1 ZINC000373008245 557609035 /nfs/dbraw/zinc/60/90/35/557609035.db2.gz MKIGSJWZYAARAZ-SFHVURJKSA-N 1 3 366.550 2.005 20 0 FEADHO CSc1ccc(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000519818877 562145113 /nfs/dbraw/zinc/14/51/13/562145113.db2.gz RJNGJJAYHZRDEE-UHFFFAOYSA-N 1 3 352.548 2.086 20 0 FEADHO CCN1CCN(CCCC[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000373312062 557670427 /nfs/dbraw/zinc/67/04/27/557670427.db2.gz XGUQLACVIAJRAJ-UHFFFAOYSA-N 1 3 351.564 2.119 20 0 FEADHO CC[NH+]1CCC(CCNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC000373335527 557674533 /nfs/dbraw/zinc/67/45/33/557674533.db2.gz XKLSEYPFXKSLOU-QGZVFWFLSA-N 1 3 366.550 2.003 20 0 FEADHO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000373407113 557688476 /nfs/dbraw/zinc/68/84/76/557688476.db2.gz SXCMATURWGCITF-LNLFQRSKSA-N 1 3 351.514 2.139 20 0 FEADHO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000373407113 557688477 /nfs/dbraw/zinc/68/84/77/557688477.db2.gz SXCMATURWGCITF-LNLFQRSKSA-N 1 3 351.514 2.139 20 0 FEADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000373453617 557696555 /nfs/dbraw/zinc/69/65/55/557696555.db2.gz OUNKAMSRRPPARJ-CEXWTWQISA-N 1 3 365.562 2.455 20 0 FEADHO CN1CCCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000520299513 562152853 /nfs/dbraw/zinc/15/28/53/562152853.db2.gz CBHCUPQZESDQPS-UHFFFAOYSA-N 1 3 350.532 2.307 20 0 FEADHO COCC1(C(=O)N2CCCN(Cc3ccccc3C)CC2)CC[NH2+]CC1 ZINC000373561697 557718514 /nfs/dbraw/zinc/71/85/14/557718514.db2.gz NNKAYYPEGQKCMU-UHFFFAOYSA-N 1 3 359.514 2.046 20 0 FEADHO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1-n1cncn1 ZINC000374254708 557851812 /nfs/dbraw/zinc/85/18/12/557851812.db2.gz NGIRHEOFAPZDDN-AZUAARDMSA-N 1 3 368.529 2.034 20 0 FEADHO CC(C)n1cnnc1[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000374303336 557861858 /nfs/dbraw/zinc/86/18/58/557861858.db2.gz SAAHVPAHQXTPDD-IBGZPJMESA-N 1 3 362.566 2.455 20 0 FEADHO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000374303336 557861860 /nfs/dbraw/zinc/86/18/60/557861860.db2.gz SAAHVPAHQXTPDD-IBGZPJMESA-N 1 3 362.566 2.455 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2)CC1 ZINC000374628753 557909037 /nfs/dbraw/zinc/90/90/37/557909037.db2.gz ZJQXWELOAFEPAP-SXLOBPIMSA-N 1 3 356.514 2.028 20 0 FEADHO C[C@H](C(=O)Nc1ncccn1)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374841655 557939355 /nfs/dbraw/zinc/93/93/55/557939355.db2.gz QZRMOKUGZICFGP-OAHLLOKOSA-N 1 3 354.458 2.047 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000521217396 562172003 /nfs/dbraw/zinc/17/20/03/562172003.db2.gz ZUDWNKZOKMEJLS-QXAKKESOSA-N 1 3 359.518 2.076 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000374919711 557951672 /nfs/dbraw/zinc/95/16/72/557951672.db2.gz YVOKZKUEVMZMLZ-IEBWSBKVSA-N 1 3 371.591 2.244 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000374919711 557951673 /nfs/dbraw/zinc/95/16/73/557951673.db2.gz YVOKZKUEVMZMLZ-IEBWSBKVSA-N 1 3 371.591 2.244 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000375345193 558012704 /nfs/dbraw/zinc/01/27/04/558012704.db2.gz PDSOHAGGZKGLAI-MBOZVWFJSA-N 1 3 351.535 2.291 20 0 FEADHO COC(=O)c1ccccc1CCN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000375394894 558020263 /nfs/dbraw/zinc/02/02/63/558020263.db2.gz ZLBPTTUYZBIFEH-QGZVFWFLSA-N 1 3 359.514 2.116 20 0 FEADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CCCCN1C1CCCC1 ZINC000375427448 558024968 /nfs/dbraw/zinc/02/49/68/558024968.db2.gz TZVQJNIOOQITMT-FXAWDEMLSA-N 1 3 363.546 2.401 20 0 FEADHO C[C@H](CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000376071827 558122850 /nfs/dbraw/zinc/12/28/50/558122850.db2.gz YLGAOJPHTQGNHU-JYBIWHBTSA-N 1 3 373.545 2.494 20 0 FEADHO C[C@H](CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)[N@H+]1CCC[C@@H](C)C1 ZINC000376071827 558122851 /nfs/dbraw/zinc/12/28/51/558122851.db2.gz YLGAOJPHTQGNHU-JYBIWHBTSA-N 1 3 373.545 2.494 20 0 FEADHO CCC[C@]1(CO)CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000521643384 562181255 /nfs/dbraw/zinc/18/12/55/562181255.db2.gz DSLIZOKWOPKAHP-NRFANRHFSA-N 1 3 365.562 2.194 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCCO1 ZINC000376425965 558171564 /nfs/dbraw/zinc/17/15/64/558171564.db2.gz DYWURTFQQHTIQB-GOSISDBHSA-N 1 3 366.550 2.147 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCCO1 ZINC000376425965 558171565 /nfs/dbraw/zinc/17/15/65/558171565.db2.gz DYWURTFQQHTIQB-GOSISDBHSA-N 1 3 366.550 2.147 20 0 FEADHO CC[C@@H]1C[C@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000376865737 558231367 /nfs/dbraw/zinc/23/13/67/558231367.db2.gz AILDXTCSUBPGSS-VQIMIIECSA-N 1 3 351.535 2.257 20 0 FEADHO CCO[C@@H]1C[C@@H](NCc2ccncc2OCC[NH+](C)C)C12CCOCC2 ZINC000377569713 558367586 /nfs/dbraw/zinc/36/75/86/558367586.db2.gz XAODVOOZKVOCGC-RTBURBONSA-N 1 3 363.502 2.086 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1)C1CC1 ZINC000522316114 562196854 /nfs/dbraw/zinc/19/68/54/562196854.db2.gz IENSISAIGCOQKQ-UHFFFAOYSA-N 1 3 372.557 2.428 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1)C1CC1 ZINC000522316114 562196855 /nfs/dbraw/zinc/19/68/55/562196855.db2.gz IENSISAIGCOQKQ-UHFFFAOYSA-N 1 3 372.557 2.428 20 0 FEADHO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1-n1cncn1 ZINC000377620543 558378725 /nfs/dbraw/zinc/37/87/25/558378725.db2.gz DZZBYZQVSJGBNU-HXUWFJFHSA-N 1 3 368.529 2.176 20 0 FEADHO Cc1cc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)ccc1-n1cncn1 ZINC000377620543 558378726 /nfs/dbraw/zinc/37/87/26/558378726.db2.gz DZZBYZQVSJGBNU-HXUWFJFHSA-N 1 3 368.529 2.176 20 0 FEADHO C[NH+](C)CCCOC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000378033587 558466890 /nfs/dbraw/zinc/46/68/90/558466890.db2.gz YBSPBIKJCKEYGH-LJQANCHMSA-N 1 3 357.514 2.158 20 0 FEADHO CCCN1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000523346351 562211508 /nfs/dbraw/zinc/21/15/08/562211508.db2.gz AXHRIEXIYUOPCX-LJQANCHMSA-N 1 3 372.513 2.197 20 0 FEADHO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]34)C2)cn1 ZINC000378550209 558580733 /nfs/dbraw/zinc/58/07/33/558580733.db2.gz YMEYFJQKYQJSJK-XMGTWHOFSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1cc(N2CC[C@H](N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)C2)cn1 ZINC000378550209 558580734 /nfs/dbraw/zinc/58/07/34/558580734.db2.gz YMEYFJQKYQJSJK-XMGTWHOFSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1cc(N2CC[C@H](N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)C2)cn1 ZINC000378550209 558580737 /nfs/dbraw/zinc/58/07/37/558580737.db2.gz YMEYFJQKYQJSJK-XMGTWHOFSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]34)C2)cn1 ZINC000378550207 558580895 /nfs/dbraw/zinc/58/08/95/558580895.db2.gz YMEYFJQKYQJSJK-NPDDRXJXSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1cc(N2CC[C@H](N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)C2)cn1 ZINC000378550207 558580897 /nfs/dbraw/zinc/58/08/97/558580897.db2.gz YMEYFJQKYQJSJK-NPDDRXJXSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1cc(N2CC[C@H](N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)C2)cn1 ZINC000378550207 558580900 /nfs/dbraw/zinc/58/09/00/558580900.db2.gz YMEYFJQKYQJSJK-NPDDRXJXSA-N 1 3 365.525 2.499 20 0 FEADHO [NH3+]C[C@@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390876925 558612828 /nfs/dbraw/zinc/61/28/28/558612828.db2.gz IBIQFMVDVUGBMU-NHCUHLMSSA-N 1 3 367.493 2.136 20 0 FEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390898237 558613100 /nfs/dbraw/zinc/61/31/00/558613100.db2.gz RDWQGGKHUCXWIB-RBUKOAKNSA-N 1 3 361.530 2.418 20 0 FEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000523812687 562220389 /nfs/dbraw/zinc/22/03/89/562220389.db2.gz WKPXKNKBXXCYIY-SFHVURJKSA-N 1 3 358.530 2.464 20 0 FEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000523812687 562220390 /nfs/dbraw/zinc/22/03/90/562220390.db2.gz WKPXKNKBXXCYIY-SFHVURJKSA-N 1 3 358.530 2.464 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)Oc1ccc(Cl)cc1 ZINC000524788343 562235011 /nfs/dbraw/zinc/23/50/11/562235011.db2.gz RLUNBPZQPIQNET-HNNXBMFYSA-N 1 3 370.925 2.242 20 0 FEADHO COC(=O)[C@H](O)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411402866 558888744 /nfs/dbraw/zinc/88/87/44/558888744.db2.gz VDNBYQWDXMZILQ-HXUWFJFHSA-N 1 3 360.498 2.418 20 0 FEADHO CCN1CCC(NC(=O)C[NH2+][C@H](Cc2ccccc2OC)C(C)C)CC1 ZINC000411514178 558908535 /nfs/dbraw/zinc/90/85/35/558908535.db2.gz FULUCFZGEILCES-LJQANCHMSA-N 1 3 361.530 2.452 20 0 FEADHO Cc1cc(NC(=O)C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)ccc1C[NH+](C)C ZINC000411522153 558909996 /nfs/dbraw/zinc/90/99/96/558909996.db2.gz VMUJMCBHBXAGAB-VQIMIIECSA-N 1 3 372.513 2.080 20 0 FEADHO Cc1cc(NC(=O)C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)ccc1C[NH+](C)C ZINC000411522152 558910137 /nfs/dbraw/zinc/91/01/37/558910137.db2.gz VMUJMCBHBXAGAB-QFBILLFUSA-N 1 3 372.513 2.080 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)N[C@H]3CCN(C)[C@@H](C)C3)CCCC2)CC1 ZINC000525812407 562255939 /nfs/dbraw/zinc/25/59/39/562255939.db2.gz DTFVMZCDFVYEPC-IRXDYDNUSA-N 1 3 366.550 2.192 20 0 FEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000412780248 559055750 /nfs/dbraw/zinc/05/57/50/559055750.db2.gz PSDOEAINVAOFAH-KRWDZBQOSA-N 1 3 361.530 2.296 20 0 FEADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000414184463 559152023 /nfs/dbraw/zinc/15/20/23/559152023.db2.gz NYCGJBUKRPSPJV-CVEARBPZSA-N 1 3 353.532 2.333 20 0 FEADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000414184463 559152025 /nfs/dbraw/zinc/15/20/25/559152025.db2.gz NYCGJBUKRPSPJV-CVEARBPZSA-N 1 3 353.532 2.333 20 0 FEADHO CN1CCC(C[NH2+]C/C=C/c2ccc(F)c(F)c2)(N2CCOCC2)CC1 ZINC000414485624 559167999 /nfs/dbraw/zinc/16/79/99/559167999.db2.gz PQZBXNBYEZTQCH-NSCUHMNNSA-N 1 3 365.468 2.364 20 0 FEADHO CC(C)Oc1ccccc1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414489907 559168152 /nfs/dbraw/zinc/16/81/52/559168152.db2.gz WIHKTUVPNLVZPS-UHFFFAOYSA-N 1 3 361.530 2.360 20 0 FEADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)N2CCC(C)CC2)cc1 ZINC000414714324 559181768 /nfs/dbraw/zinc/18/17/68/559181768.db2.gz WTUATDPMUJMOGK-LJQANCHMSA-N 1 3 374.529 2.217 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3C[C@H](C[NH3+])C[C@@H]3C)c(C)c2)CC1 ZINC000414757003 559185657 /nfs/dbraw/zinc/18/56/57/559185657.db2.gz WPCHLTNGUPPOLX-IRXDYDNUSA-N 1 3 359.518 2.338 20 0 FEADHO FC(F)(F)[C@H](CNCc1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000414971389 559197901 /nfs/dbraw/zinc/19/79/01/559197901.db2.gz IIWMGXYHBAPURM-ZDUSSCGKSA-N 1 3 366.225 2.375 20 0 FEADHO O=C(COc1ccccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NCC1CC1 ZINC000414770063 559186476 /nfs/dbraw/zinc/18/64/76/559186476.db2.gz OGKOYXGJFIJHHP-HDICACEKSA-N 1 3 357.498 2.023 20 0 FEADHO Fc1cc2cccnc2c(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414990932 559199214 /nfs/dbraw/zinc/19/92/14/559199214.db2.gz SCRWIDYHEIVQSF-HNNXBMFYSA-N 1 3 356.367 2.300 20 0 FEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415027442 559201443 /nfs/dbraw/zinc/20/14/43/559201443.db2.gz WGAKTXROCJIEMA-CVEARBPZSA-N 1 3 368.481 2.282 20 0 FEADHO COc1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc(OC)c1OC ZINC000415102035 559205226 /nfs/dbraw/zinc/20/52/26/559205226.db2.gz CCTMCAHGUIAAID-LPHOPBHVSA-N 1 3 364.486 2.431 20 0 FEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000415116714 559206255 /nfs/dbraw/zinc/20/62/55/559206255.db2.gz ZQMXMVJFZRDWNV-WNHJNPCNSA-N 1 3 351.514 2.233 20 0 FEADHO COc1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc2c1OCCO2 ZINC000415122825 559206435 /nfs/dbraw/zinc/20/64/35/559206435.db2.gz ISCJDAKMSDPRNV-LPHOPBHVSA-N 1 3 362.470 2.185 20 0 FEADHO C[C@H](CN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000415144021 559208617 /nfs/dbraw/zinc/20/86/17/559208617.db2.gz UMEQLKRALSXNFF-CCKFTAQKSA-N 1 3 360.477 2.149 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)CN2CCCC2)c1 ZINC000415257794 559219226 /nfs/dbraw/zinc/21/92/26/559219226.db2.gz QUEYGHOBBNNAQP-IBGZPJMESA-N 1 3 374.529 2.361 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415730373 559265824 /nfs/dbraw/zinc/26/58/24/559265824.db2.gz CZIGMODLDZRWLJ-QAQDUYKDSA-N 1 3 374.529 2.348 20 0 FEADHO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C[C@H]1C[NH3+] ZINC000415834438 559276643 /nfs/dbraw/zinc/27/66/43/559276643.db2.gz ANMCXYYRRFWSOA-SJLPKXTDSA-N 1 3 372.513 2.054 20 0 FEADHO CCOc1cccc2[nH]cc(CC(=O)N(CCN(C)C)CC[NH+](C)C)c21 ZINC000527118383 562277070 /nfs/dbraw/zinc/27/70/70/562277070.db2.gz SOJLPEMFCIFAQT-UHFFFAOYSA-N 1 3 360.502 2.061 20 0 FEADHO CNCc1ccccc1NC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000415914165 559282283 /nfs/dbraw/zinc/28/22/83/559282283.db2.gz UZRFVQJOORXXJZ-ROUUACIJSA-N 1 3 373.545 2.428 20 0 FEADHO CNCc1cccc(NC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000415918306 559282637 /nfs/dbraw/zinc/28/26/37/559282637.db2.gz KYQSWCWFBMFIHJ-ROUUACIJSA-N 1 3 373.545 2.428 20 0 FEADHO C[NH2+]Cc1cccc(NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1 ZINC000415934739 559283389 /nfs/dbraw/zinc/28/33/89/559283389.db2.gz SAPWJWUTXZHYDU-FQEVSTJZSA-N 1 3 368.481 2.294 20 0 FEADHO CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000416008082 559288892 /nfs/dbraw/zinc/28/88/92/559288892.db2.gz NKSFMXDETAQRIL-GJZGRUSLSA-N 1 3 358.408 2.182 20 0 FEADHO CN1CCN(CCC(C)(C)NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416209328 559298442 /nfs/dbraw/zinc/29/84/42/559298442.db2.gz JZINUMSPFWQGLC-IBGZPJMESA-N 1 3 360.546 2.212 20 0 FEADHO O=C(NCc1ccccc1CN1CCCCC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000416910858 559337800 /nfs/dbraw/zinc/33/78/00/559337800.db2.gz ZUXSLIFCXRIRRE-AZUAARDMSA-N 1 3 356.514 2.423 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N(C)C1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000416922552 559338499 /nfs/dbraw/zinc/33/84/99/559338499.db2.gz MVOZCNGURFGQCV-LJQANCHMSA-N 1 3 362.518 2.472 20 0 FEADHO CCCN(C(=O)NC1CCN(CCc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000416975868 559341360 /nfs/dbraw/zinc/34/13/60/559341360.db2.gz NGUMKIJBMRBTOJ-FQEVSTJZSA-N 1 3 358.530 2.477 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000416979688 559341740 /nfs/dbraw/zinc/34/17/40/559341740.db2.gz XGCGETRSMRGKTN-QAQDUYKDSA-N 1 3 362.518 2.191 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N2C[C@@H](C)NC[C@@H]2C)cc1 ZINC000416989327 559342349 /nfs/dbraw/zinc/34/23/49/559342349.db2.gz MEQRJNIOIUMEGF-SJORKVTESA-N 1 3 362.518 2.299 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCN[C@@H](C)[C@H]2C)cc1 ZINC000416990573 559342464 /nfs/dbraw/zinc/34/24/64/559342464.db2.gz NRFKADGOQFQYMQ-DLBZAZTESA-N 1 3 362.518 2.299 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)N1CCc2ccccc2C1 ZINC000417003906 559343272 /nfs/dbraw/zinc/34/32/72/559343272.db2.gz BZWZIFATQLUQGT-NSISKUIASA-N 1 3 358.530 2.450 20 0 FEADHO CC[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000417007062 559343471 /nfs/dbraw/zinc/34/34/71/559343471.db2.gz GNPIDINTEXARMC-QUCCMNQESA-N 1 3 356.514 2.359 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417023908 559344484 /nfs/dbraw/zinc/34/44/84/559344484.db2.gz MGOMARVVPDRYEC-DFQSSKMNSA-N 1 3 356.514 2.122 20 0 FEADHO CC(C)(CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccccc2C1 ZINC000417089939 559347285 /nfs/dbraw/zinc/34/72/85/559347285.db2.gz SOVJCSVKSNKVJE-PKOBYXMFSA-N 1 3 356.514 2.074 20 0 FEADHO O=C(NCCC[C@H]1CCC[NH2+]1)NCC1(N2CCSCC2)CCCC1 ZINC000417093213 559347463 /nfs/dbraw/zinc/34/74/63/559347463.db2.gz BEUJGVPDIQHGFM-MRXNPFEDSA-N 1 3 354.564 2.179 20 0 FEADHO CCC[C@H]1CNCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417103393 559347927 /nfs/dbraw/zinc/34/79/27/559347927.db2.gz DDIBUFSUUFMWDZ-INIZCTEOSA-N 1 3 354.564 2.132 20 0 FEADHO COCCN1CCC(NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417297530 559356498 /nfs/dbraw/zinc/35/64/98/559356498.db2.gz OJWBBPOOGPRXCE-HXUWFJFHSA-N 1 3 370.497 2.250 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417361096 559359144 /nfs/dbraw/zinc/35/91/44/559359144.db2.gz IKSVHMWYIUFPEG-BQFCYCMXSA-N 1 3 362.543 2.354 20 0 FEADHO CN(C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C1CC[NH2+]CC1 ZINC000417367731 559359534 /nfs/dbraw/zinc/35/95/34/559359534.db2.gz PEQNHJLHCXABNG-HNNXBMFYSA-N 1 3 350.532 2.354 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417374302 559359826 /nfs/dbraw/zinc/35/98/26/559359826.db2.gz XXQBLUYNHZFYGU-RDJZCZTQSA-N 1 3 362.543 2.496 20 0 FEADHO COCCCN1CCC(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000417443274 559362518 /nfs/dbraw/zinc/36/25/18/559362518.db2.gz XVJFLGRZDCSRQA-HKUYNNGSSA-N 1 3 366.550 2.051 20 0 FEADHO C[C@@H](CCC[NH3+])NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417582856 559367756 /nfs/dbraw/zinc/36/77/56/559367756.db2.gz JZAUCTXTGYZIJD-INIZCTEOSA-N 1 3 354.539 2.227 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417604138 559369156 /nfs/dbraw/zinc/36/91/56/559369156.db2.gz AWQOQQBWLIYBHI-IAGOWNOFSA-N 1 3 366.575 2.132 20 0 FEADHO COC[C@]1(CNC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CCC[NH2+]1 ZINC000417622316 559369363 /nfs/dbraw/zinc/36/93/63/559369363.db2.gz IFQMUTISTZJRJW-OXJNMPFZSA-N 1 3 362.518 2.184 20 0 FEADHO COc1cc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)ccc1OCC[NH+](C)C ZINC000417654189 559370709 /nfs/dbraw/zinc/37/07/09/559370709.db2.gz RSDCLSHFUILCGO-QGZVFWFLSA-N 1 3 374.485 2.114 20 0 FEADHO CCN1CCCN(C(=O)Nc2ccc(OCC[NH+](C)C)c(OC)c2)CC1 ZINC000417654567 559370735 /nfs/dbraw/zinc/37/07/35/559370735.db2.gz RTUMMZYOEBHJPQ-UHFFFAOYSA-N 1 3 364.490 2.195 20 0 FEADHO C[C@@H]1CN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C[C@H]1[NH3+] ZINC000417682370 559372248 /nfs/dbraw/zinc/37/22/48/559372248.db2.gz KZTRLJGAQXZOOX-ATZDWAIDSA-N 1 3 358.530 2.448 20 0 FEADHO CO[C@@H]1CCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000417689524 559372646 /nfs/dbraw/zinc/37/26/46/559372646.db2.gz KDFQUGFYHRPECW-NSISKUIASA-N 1 3 374.529 2.360 20 0 FEADHO CN(C)C1(CNC(=O)N[C@H](C[NH3+])C2CCCCC2)Cc2ccccc2C1 ZINC000417737677 559374718 /nfs/dbraw/zinc/37/47/18/559374718.db2.gz NZPCOJYWHNUKFI-LJQANCHMSA-N 1 3 358.530 2.292 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417831984 559378457 /nfs/dbraw/zinc/37/84/57/559378457.db2.gz SRKHRQODIYMBOI-AFYVEPGGSA-N 1 3 356.514 2.148 20 0 FEADHO C[C@@]1(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCCN1Cc1ccccc1 ZINC000418045858 559387866 /nfs/dbraw/zinc/38/78/66/559387866.db2.gz PHWGZZNJMAWOCD-SFTDATJTSA-N 1 3 356.514 2.436 20 0 FEADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccccc1C(=O)N(C)C ZINC000418071678 559388978 /nfs/dbraw/zinc/38/89/78/559388978.db2.gz VSYLXKSDTAHKCE-UHFFFAOYSA-N 1 3 360.546 2.238 20 0 FEADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccccc1C(=O)N(C)C ZINC000418071678 559388979 /nfs/dbraw/zinc/38/89/79/559388979.db2.gz VSYLXKSDTAHKCE-UHFFFAOYSA-N 1 3 360.546 2.238 20 0 FEADHO C[C@@H](C[NH3+])NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418151829 559392007 /nfs/dbraw/zinc/39/20/07/559392007.db2.gz GFRBOJBISHNPFX-FFZOFVMBSA-N 1 3 352.482 2.301 20 0 FEADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000418162483 559392529 /nfs/dbraw/zinc/39/25/29/559392529.db2.gz UYDOYOHZWYHPSE-RTBURBONSA-N 1 3 374.529 2.046 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)N(C)C)cc1 ZINC000418195319 559393610 /nfs/dbraw/zinc/39/36/10/559393610.db2.gz GVHKWVDMQCRQRX-MNEFBYGVSA-N 1 3 362.518 2.374 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@](C)(C[NH3+])C2)N(C)C)cc1 ZINC000418201507 559393822 /nfs/dbraw/zinc/39/38/22/559393822.db2.gz HTMSWPBDKJWYLU-AZUAARDMSA-N 1 3 362.518 2.457 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)N(C)C)cc1 ZINC000418236665 559395067 /nfs/dbraw/zinc/39/50/67/559395067.db2.gz UTERXKWZAPLOHW-XYPHTWIQSA-N 1 3 350.532 2.308 20 0 FEADHO O=C(NCCC[NH2+]C1CC1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418300856 559396796 /nfs/dbraw/zinc/39/67/96/559396796.db2.gz NQUMNINAMDIKTC-NRFANRHFSA-N 1 3 356.514 2.436 20 0 FEADHO O=C(NCCC[NH2+]Cc1cccnc1)N1CCN(CC2CCCCC2)CC1 ZINC000418321967 559397461 /nfs/dbraw/zinc/39/74/61/559397461.db2.gz BVULBHHOIPIZJG-UHFFFAOYSA-N 1 3 373.545 2.469 20 0 FEADHO O=C(NCCCNCc1cccnc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418330371 559397715 /nfs/dbraw/zinc/39/77/15/559397715.db2.gz CKPSUUWGGVTSMN-IBGZPJMESA-N 1 3 359.518 2.221 20 0 FEADHO O=C(NCCCNCc1cccnc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000418334157 559397829 /nfs/dbraw/zinc/39/78/29/559397829.db2.gz WKXFYAMEWVUGEC-MOPGFXCFSA-N 1 3 359.518 2.125 20 0 FEADHO CC(C)(C)CCN1CCN(C(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000418334764 559397996 /nfs/dbraw/zinc/39/79/96/559397996.db2.gz YDHUHPJYICSLJD-UHFFFAOYSA-N 1 3 361.534 2.325 20 0 FEADHO C[C@@H](C[NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418472238 559403053 /nfs/dbraw/zinc/40/30/53/559403053.db2.gz NLDGJZKXAMYXNR-ZDUSSCGKSA-N 1 3 371.323 2.117 20 0 FEADHO [NH3+]C1(CNC(=O)NCc2ccc3c(c2)CNC3)C2CC3CC(C2)CC1C3 ZINC000418559632 559406191 /nfs/dbraw/zinc/40/61/91/559406191.db2.gz VVKVNMPTPHEHDG-UHFFFAOYSA-N 1 3 354.498 2.243 20 0 FEADHO O=C(NCCC1=CC[NH2+]CC1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418604541 559407567 /nfs/dbraw/zinc/40/75/67/559407567.db2.gz RAHZVDIZHOYBQN-RTWAWAEBSA-N 1 3 368.525 2.460 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418615181 559407988 /nfs/dbraw/zinc/40/79/88/559407988.db2.gz GXMKYPAAIHVVRZ-GOSISDBHSA-N 1 3 350.482 2.416 20 0 FEADHO CCCN(CCN1CCCCCC1)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418641020 559408983 /nfs/dbraw/zinc/40/89/83/559408983.db2.gz PLXSUJIZCNXWNE-UHFFFAOYSA-N 1 3 368.566 2.300 20 0 FEADHO C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H]3NCCc4ccccc43)C2)CC1 ZINC000418648408 559409330 /nfs/dbraw/zinc/40/93/30/559409330.db2.gz ZICANHXTKOMKFL-QUCCMNQESA-N 1 3 356.514 2.247 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000418660276 559410226 /nfs/dbraw/zinc/41/02/26/559410226.db2.gz NOOIXXMXRNAKDP-VQTJNVASSA-N 1 3 374.529 2.157 20 0 FEADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000418691378 559411481 /nfs/dbraw/zinc/41/14/81/559411481.db2.gz DTLSKWCBAUAOKK-QWHCGFSZSA-N 1 3 371.323 2.258 20 0 FEADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418691377 559411399 /nfs/dbraw/zinc/41/13/99/559411399.db2.gz DTLSKWCBAUAOKK-OLZOCXBDSA-N 1 3 371.323 2.258 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418730643 559412836 /nfs/dbraw/zinc/41/28/36/559412836.db2.gz SQSDQNGIVQTPFN-WBVHZDCISA-N 1 3 350.482 2.416 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418730640 559412899 /nfs/dbraw/zinc/41/28/99/559412899.db2.gz SQSDQNGIVQTPFN-DOTOQJQBSA-N 1 3 350.482 2.416 20 0 FEADHO CC[C@@H]([NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418730226 559412954 /nfs/dbraw/zinc/41/29/54/559412954.db2.gz OTBFRRURHPGHFA-OAHLLOKOSA-N 1 3 371.323 2.260 20 0 FEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000418746469 559413572 /nfs/dbraw/zinc/41/35/72/559413572.db2.gz HZKPRVKNILPCJW-MRXNPFEDSA-N 1 3 354.445 2.277 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418767961 559414911 /nfs/dbraw/zinc/41/49/11/559414911.db2.gz LTFUQMBNZICZFW-SFHVURJKSA-N 1 3 350.482 2.431 20 0 FEADHO CC[C@H](C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)OC ZINC000419217182 559432926 /nfs/dbraw/zinc/43/29/26/559432926.db2.gz PIDKQFGRTAWLNH-HXUWFJFHSA-N 1 3 361.530 2.372 20 0 FEADHO Cc1cccc(C)c1NC(=O)CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420293802 559479112 /nfs/dbraw/zinc/47/91/12/559479112.db2.gz ALCXDLYIFXSXQY-LJQANCHMSA-N 1 3 358.530 2.249 20 0 FEADHO COc1cc(OC)cc(N2CC[C@H](N(C)CC[C@H]3CCC[NH2+]C3)C2=O)c1 ZINC000420307125 559479473 /nfs/dbraw/zinc/47/94/73/559479473.db2.gz REBHUJVBYIJIMJ-BEFAXECRSA-N 1 3 361.486 2.131 20 0 FEADHO CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420343352 559482162 /nfs/dbraw/zinc/48/21/62/559482162.db2.gz QSOVJAAFIHVDFE-UAGQMJEPSA-N 1 3 358.486 2.294 20 0 FEADHO CN1CCN(c2ncccc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422709741 559603671 /nfs/dbraw/zinc/60/36/71/559603671.db2.gz DVZJRDRDFBHJJB-HSALFYBXSA-N 1 3 357.546 2.234 20 0 FEADHO CC(C)(C)NS(=O)(=O)c1ccccc1CNC1CCC(C[NH3+])CC1 ZINC000422725664 559604661 /nfs/dbraw/zinc/60/46/61/559604661.db2.gz YKCONVYUFOGUFF-UHFFFAOYSA-N 1 3 353.532 2.371 20 0 FEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000422730167 559604665 /nfs/dbraw/zinc/60/46/65/559604665.db2.gz JFCIOAAKQNPRKW-ZFWWWQNUSA-N 1 3 354.292 2.286 20 0 FEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422730167 559604666 /nfs/dbraw/zinc/60/46/66/559604666.db2.gz JFCIOAAKQNPRKW-ZFWWWQNUSA-N 1 3 354.292 2.286 20 0 FEADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422786310 559606611 /nfs/dbraw/zinc/60/66/11/559606611.db2.gz KTRZQDSAFSDBJD-ZBFHGGJFSA-N 1 3 371.572 2.182 20 0 FEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422786310 559606612 /nfs/dbraw/zinc/60/66/12/559606612.db2.gz KTRZQDSAFSDBJD-ZBFHGGJFSA-N 1 3 371.572 2.182 20 0 FEADHO FC(F)(F)CN1CCC(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422816482 559607459 /nfs/dbraw/zinc/60/74/59/559607459.db2.gz FKJXYFJILJSDEB-BRWVUGGUSA-N 1 3 363.468 2.398 20 0 FEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000422854179 559608585 /nfs/dbraw/zinc/60/85/85/559608585.db2.gz ANQJJJJWTYFBFC-OAHLLOKOSA-N 1 3 362.481 3.068 20 0 FEADHO CN1CCN(c2cc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)ccn2)CC1 ZINC000422879342 559609593 /nfs/dbraw/zinc/60/95/93/559609593.db2.gz KGQNWFVHXBGKPT-SLFFLAALSA-N 1 3 357.546 2.234 20 0 FEADHO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000422904742 559610499 /nfs/dbraw/zinc/61/04/99/559610499.db2.gz QNEDNJFEXIVRCP-ZWKOTPCHSA-N 1 3 353.532 2.465 20 0 FEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422915579 559611086 /nfs/dbraw/zinc/61/10/86/559611086.db2.gz YNDJZZAEIPXIGX-ICSRJNTNSA-N 1 3 358.530 2.223 20 0 FEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422915580 559611384 /nfs/dbraw/zinc/61/13/84/559611384.db2.gz YNDJZZAEIPXIGX-QUCCMNQESA-N 1 3 358.530 2.223 20 0 FEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000423150763 559620934 /nfs/dbraw/zinc/62/09/34/559620934.db2.gz CGWOIYOYXUFGAZ-BFQNTYOBSA-N 1 3 359.283 2.456 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000423150763 559620935 /nfs/dbraw/zinc/62/09/35/559620935.db2.gz CGWOIYOYXUFGAZ-BFQNTYOBSA-N 1 3 359.283 2.456 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H](C)C[C@H](C)[NH3+] ZINC000423165659 559621734 /nfs/dbraw/zinc/62/17/34/559621734.db2.gz UQHHDGZDVQNSRA-AVGNSLFASA-N 1 3 359.308 2.324 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)C[C@H](C)N ZINC000423165659 559621735 /nfs/dbraw/zinc/62/17/35/559621735.db2.gz UQHHDGZDVQNSRA-AVGNSLFASA-N 1 3 359.308 2.324 20 0 FEADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000423189630 559622356 /nfs/dbraw/zinc/62/23/56/559622356.db2.gz PVDGGMWTVBDJTI-HNNXBMFYSA-N 1 3 362.499 2.284 20 0 FEADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2CNC2)CC1 ZINC000423306739 559624923 /nfs/dbraw/zinc/62/49/23/559624923.db2.gz UPKDYVXMLRQLRU-UHFFFAOYSA-N 1 3 366.303 2.171 20 0 FEADHO Cc1cc(Br)ccc1C(=O)N1CCC(NCC2C[NH2+]C2)CC1 ZINC000423306739 559624924 /nfs/dbraw/zinc/62/49/24/559624924.db2.gz UPKDYVXMLRQLRU-UHFFFAOYSA-N 1 3 366.303 2.171 20 0 FEADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000423304257 559625014 /nfs/dbraw/zinc/62/50/14/559625014.db2.gz YGNJMURMUDMSJE-KBPBESRZSA-N 1 3 351.472 2.004 20 0 FEADHO COc1ccc2c(c1)CCC[C@@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423388024 559627483 /nfs/dbraw/zinc/62/74/83/559627483.db2.gz MNTVSVZYHQNEJF-IRXDYDNUSA-N 1 3 357.420 2.498 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCC[NH2+][C@H]3C)CC2)C[C@@H](C)O1 ZINC000423430457 559629059 /nfs/dbraw/zinc/62/90/59/559629059.db2.gz MPHNDGFRQJYARX-VXIBKDFQSA-N 1 3 351.535 2.112 20 0 FEADHO N[C@@H](C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000423440057 559629292 /nfs/dbraw/zinc/62/92/92/559629292.db2.gz SWIXADLAXGNSOU-HXUWFJFHSA-N 1 3 359.514 2.301 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000424161295 559656378 /nfs/dbraw/zinc/65/63/78/559656378.db2.gz VNROJBQLARLYFZ-AWEZNQCLSA-N 1 3 355.429 2.371 20 0 FEADHO COCCOc1cc2c(cc1CN1CC3(C[C@H]1C)CC[NH2+]CC3)OCO2 ZINC000424388994 559662582 /nfs/dbraw/zinc/66/25/82/559662582.db2.gz ZTDHTEGDXFEVGH-OAHLLOKOSA-N 1 3 362.470 2.405 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000424428649 559664266 /nfs/dbraw/zinc/66/42/66/559664266.db2.gz UQKDTQZZMVWVDK-MRXNPFEDSA-N 1 3 359.518 2.086 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000424441265 559665024 /nfs/dbraw/zinc/66/50/24/559665024.db2.gz WNYYPGFBKKWXFH-OAQYLSRUSA-N 1 3 368.481 2.212 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC(C)(C)N2CCC[C@H](C)C2)c1 ZINC000424453655 559665683 /nfs/dbraw/zinc/66/56/83/559665683.db2.gz KRBYUZHOJGAOMF-AWEZNQCLSA-N 1 3 360.502 2.019 20 0 FEADHO NC(=O)C1CCN(Cc2cccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)c2)CC1 ZINC000427298879 559752601 /nfs/dbraw/zinc/75/26/01/559752601.db2.gz HOIHXVQAMZLAJC-MRXNPFEDSA-N 1 3 372.513 2.102 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC2)c1 ZINC000427496083 559756804 /nfs/dbraw/zinc/75/68/04/559756804.db2.gz SRJYNRUUOOLPDZ-LJQANCHMSA-N 1 3 360.546 2.352 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC2)c1 ZINC000427496083 559756805 /nfs/dbraw/zinc/75/68/05/559756805.db2.gz SRJYNRUUOOLPDZ-LJQANCHMSA-N 1 3 360.546 2.352 20 0 FEADHO OCCN1CCN(CCCC[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428886091 559785495 /nfs/dbraw/zinc/78/54/95/559785495.db2.gz HYMLKAAUBRPGEF-UHFFFAOYSA-N 1 3 365.465 2.247 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000430573791 559823409 /nfs/dbraw/zinc/82/34/09/559823409.db2.gz RGHSYFPWYUVATD-OAQYLSRUSA-N 1 3 374.573 2.335 20 0 FEADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000430879997 559829603 /nfs/dbraw/zinc/82/96/03/559829603.db2.gz QRROSDVYGFZIBI-GOSISDBHSA-N 1 3 366.465 2.095 20 0 FEADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H](CN)c2ccccc2)cc1 ZINC000431045906 559833155 /nfs/dbraw/zinc/83/31/55/559833155.db2.gz SMGGOYWQMHZUIP-GOSISDBHSA-N 1 3 354.454 2.258 20 0 FEADHO COCC[C@]1(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[NH2+]C1 ZINC000431056371 559833170 /nfs/dbraw/zinc/83/31/70/559833170.db2.gz CGOONUKBEHJUNX-PZJWPPBQSA-N 1 3 359.514 2.174 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000431082335 559833584 /nfs/dbraw/zinc/83/35/84/559833584.db2.gz ULYDAUMNKVOVIR-CVEARBPZSA-N 1 3 360.493 2.479 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000431082335 559833585 /nfs/dbraw/zinc/83/35/85/559833585.db2.gz ULYDAUMNKVOVIR-CVEARBPZSA-N 1 3 360.493 2.479 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000432941435 559868337 /nfs/dbraw/zinc/86/83/37/559868337.db2.gz VWRJQLZJCWIDJB-INIZCTEOSA-N 1 3 353.532 2.291 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000432941435 559868338 /nfs/dbraw/zinc/86/83/38/559868338.db2.gz VWRJQLZJCWIDJB-INIZCTEOSA-N 1 3 353.532 2.291 20 0 FEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433334352 559877268 /nfs/dbraw/zinc/87/72/68/559877268.db2.gz HHVFGGZGIJRGOT-ROUUACIJSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433334352 559877269 /nfs/dbraw/zinc/87/72/69/559877269.db2.gz HHVFGGZGIJRGOT-ROUUACIJSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCCO1 ZINC000433404293 559880184 /nfs/dbraw/zinc/88/01/84/559880184.db2.gz WDXNCDNMWQVJNO-IRXDYDNUSA-N 1 3 356.555 2.153 20 0 FEADHO CCC[N@H+](Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)C1CCNCC1 ZINC000435373694 559921630 /nfs/dbraw/zinc/92/16/30/559921630.db2.gz OBYGNCCAFGNHIT-UHFFFAOYSA-N 1 3 369.893 2.177 20 0 FEADHO CCC[N@@H+](Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)C1CCNCC1 ZINC000435373694 559921631 /nfs/dbraw/zinc/92/16/31/559921631.db2.gz OBYGNCCAFGNHIT-UHFFFAOYSA-N 1 3 369.893 2.177 20 0 FEADHO CC[C@H](C(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2)N(CC)CC ZINC000435560586 559925151 /nfs/dbraw/zinc/92/51/51/559925151.db2.gz WQMFWNWXVYMQLW-SJORKVTESA-N 1 3 361.534 2.011 20 0 FEADHO COc1cc(NC(=O)CCN(C)[C@@H]2CCC[NH2+]CC2)cc(OC)c1OC ZINC000435616841 559926502 /nfs/dbraw/zinc/92/65/02/559926502.db2.gz LUSRYBSSGVAGGN-OAHLLOKOSA-N 1 3 365.474 2.115 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)N(CCN(C)C)C(C)C)CCCC2)CC1 ZINC000440228443 560007140 /nfs/dbraw/zinc/00/71/40/560007140.db2.gz PPRYNVGHMKRCLV-UHFFFAOYSA-N 1 3 368.566 2.392 20 0 FEADHO O=C(NCCCOC1CCN(Cc2ccccc2)CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444270303 560107550 /nfs/dbraw/zinc/10/75/50/560107550.db2.gz OHYSZFXKZMVDCB-UNMCSNQZSA-N 1 3 371.525 2.174 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N(C)CC1([NH+](C)C)CCC1 ZINC000445868564 560135888 /nfs/dbraw/zinc/13/58/88/560135888.db2.gz HXBMNMRMSVBVHL-ICSRJNTNSA-N 1 3 372.557 2.182 20 0 FEADHO CCN1CCN(c2ccccc2C[NH+]2CCC3(CCN(C)C3=O)CC2)CC1 ZINC000447069110 560155940 /nfs/dbraw/zinc/15/59/40/560155940.db2.gz RHZITSDOQLUDDE-UHFFFAOYSA-N 1 3 370.541 2.273 20 0 FEADHO OCCN1CCN(CCCC[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449149851 560218098 /nfs/dbraw/zinc/21/80/98/560218098.db2.gz OVYPKRYWOUZXRB-UHFFFAOYSA-N 1 3 367.578 2.237 20 0 FEADHO COc1ccc(-n2cc(CN(C)CCN(C)C3CC[NH+](C)CC3)cn2)cc1 ZINC000449326716 560225409 /nfs/dbraw/zinc/22/54/09/560225409.db2.gz YLUZUGNHCCCZIT-UHFFFAOYSA-N 1 3 371.529 2.339 20 0 FEADHO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC000449560795 560233564 /nfs/dbraw/zinc/23/35/64/560233564.db2.gz PPKZJGUYKRQLBO-ZXFUBFMLSA-N 1 3 366.502 2.253 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000451475426 560309297 /nfs/dbraw/zinc/30/92/97/560309297.db2.gz CJLRUJGLLKECPV-HNBVOPMISA-N 1 3 359.514 2.199 20 0 FEADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000454085338 560427794 /nfs/dbraw/zinc/42/77/94/560427794.db2.gz FKOPSHQVPPILJA-MJGOQNOKSA-N 1 3 372.513 2.115 20 0 FEADHO C[C@@H](CO)N1CCCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455843262 560497248 /nfs/dbraw/zinc/49/72/48/560497248.db2.gz GCUASXAYBNYDLK-KXBFYZLASA-N 1 3 360.502 2.156 20 0 FEADHO C[C@H]1CN(CCCCNC(=O)C2C[NH+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000457620547 560578362 /nfs/dbraw/zinc/57/83/62/560578362.db2.gz DZDQLYCXFXLKQD-IRXDYDNUSA-N 1 3 351.535 2.257 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000457785475 560587475 /nfs/dbraw/zinc/58/74/75/560587475.db2.gz LIPHGZXIKUIJQC-IRXDYDNUSA-N 1 3 350.532 2.448 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000457785475 560587476 /nfs/dbraw/zinc/58/74/76/560587476.db2.gz LIPHGZXIKUIJQC-IRXDYDNUSA-N 1 3 350.532 2.448 20 0 FEADHO C[C@H]1CN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCN(C2CC2)C1 ZINC000458429031 560622619 /nfs/dbraw/zinc/62/26/19/560622619.db2.gz MZRQUGMTLQDDDD-QGZVFWFLSA-N 1 3 370.541 2.211 20 0 FEADHO C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000459338305 560680586 /nfs/dbraw/zinc/68/05/86/560680586.db2.gz SAOGDMZGANYPFL-INIZCTEOSA-N 1 3 370.497 2.374 20 0 FEADHO C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000459338305 560680588 /nfs/dbraw/zinc/68/05/88/560680588.db2.gz SAOGDMZGANYPFL-INIZCTEOSA-N 1 3 370.497 2.374 20 0 FEADHO COCCOc1cc2c(cc1CNCC[C@@H]1CCC[N@H+](C)C1)OCO2 ZINC000459741033 560705512 /nfs/dbraw/zinc/70/55/12/560705512.db2.gz UXVRIIRQFHBNOD-HNNXBMFYSA-N 1 3 350.459 2.262 20 0 FEADHO COCCOc1cc2c(cc1CNCC[C@@H]1CCC[N@@H+](C)C1)OCO2 ZINC000459741033 560705513 /nfs/dbraw/zinc/70/55/13/560705513.db2.gz UXVRIIRQFHBNOD-HNNXBMFYSA-N 1 3 350.459 2.262 20 0 FEADHO CN1CCC[C@@H]1CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460100281 560734507 /nfs/dbraw/zinc/73/45/07/560734507.db2.gz BKAGLYJNNFYRJS-VAMGGRTRSA-N 1 3 356.514 2.244 20 0 FEADHO CN1CCC[C@@H]1CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460100281 560734508 /nfs/dbraw/zinc/73/45/08/560734508.db2.gz BKAGLYJNNFYRJS-VAMGGRTRSA-N 1 3 356.514 2.244 20 0 FEADHO CN(CCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000460212080 560738137 /nfs/dbraw/zinc/73/81/37/560738137.db2.gz ANTCSVSCIMWOTJ-OALUTQOASA-N 1 3 356.514 2.244 20 0 FEADHO CN(CCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000460212080 560738138 /nfs/dbraw/zinc/73/81/38/560738138.db2.gz ANTCSVSCIMWOTJ-OALUTQOASA-N 1 3 356.514 2.244 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(c4ccccc4F)C3)CC2)CC1 ZINC000464235654 560836723 /nfs/dbraw/zinc/83/67/23/560836723.db2.gz XOXIKOUCZTVGFR-UHFFFAOYSA-N 1 3 374.504 2.493 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000464939065 560855554 /nfs/dbraw/zinc/85/55/54/560855554.db2.gz ASOXLDKUMRFFEK-QGZVFWFLSA-N 1 3 368.566 2.153 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000464939065 560855555 /nfs/dbraw/zinc/85/55/55/560855555.db2.gz ASOXLDKUMRFFEK-QGZVFWFLSA-N 1 3 368.566 2.153 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCOC1CCCC1 ZINC000465671615 560870731 /nfs/dbraw/zinc/87/07/31/560870731.db2.gz XWGQSLWWGHHSCG-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCOC1CCCC1 ZINC000465671615 560870732 /nfs/dbraw/zinc/87/07/32/560870732.db2.gz XWGQSLWWGHHSCG-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO CN(C)C1(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)Cc2ccccc2C1 ZINC000465694662 560871253 /nfs/dbraw/zinc/87/12/53/560871253.db2.gz YKWNMOUSSHNHOA-RBUKOAKNSA-N 1 3 356.514 2.012 20 0 FEADHO CN(C)C1(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)Cc2ccccc2C1 ZINC000465694662 560871254 /nfs/dbraw/zinc/87/12/54/560871254.db2.gz YKWNMOUSSHNHOA-RBUKOAKNSA-N 1 3 356.514 2.012 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CCN1C ZINC000465896982 560875408 /nfs/dbraw/zinc/87/54/08/560875408.db2.gz SKGKYGXJQBFQRT-WMZOPIPTSA-N 1 3 362.518 2.299 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000466033633 560878728 /nfs/dbraw/zinc/87/87/28/560878728.db2.gz CTPSEBQTQBYZHN-MAUKXSAKSA-N 1 3 350.482 2.382 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000466033633 560878729 /nfs/dbraw/zinc/87/87/29/560878729.db2.gz CTPSEBQTQBYZHN-MAUKXSAKSA-N 1 3 350.482 2.382 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000466670483 560892541 /nfs/dbraw/zinc/89/25/41/560892541.db2.gz RYACERFAZBWACK-HLIPFELVSA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000466670483 560892542 /nfs/dbraw/zinc/89/25/42/560892542.db2.gz RYACERFAZBWACK-HLIPFELVSA-N 1 3 368.566 2.248 20 0 FEADHO CC(C)C[C@H]([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)C(=O)NCCN(C)C ZINC000467360003 560908962 /nfs/dbraw/zinc/90/89/62/560908962.db2.gz REXPLRKFRSCJLR-MANSERQUSA-N 1 3 353.551 2.264 20 0 FEADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)CCS2 ZINC000467422293 560909726 /nfs/dbraw/zinc/90/97/26/560909726.db2.gz ZVWMYOVSAFRLMA-YOEHRIQHSA-N 1 3 363.527 2.409 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cc(-n3ccnc3)cs2)C1)[C@H]1CCC[NH2+]1 ZINC000469865336 560967334 /nfs/dbraw/zinc/96/73/34/560967334.db2.gz XRKJWIMQYQWPNK-CRAIPNDOSA-N 1 3 373.526 2.014 20 0 FEADHO CN(C)Cc1cccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000470118048 560974716 /nfs/dbraw/zinc/97/47/16/560974716.db2.gz SNTSDNGNXYWSMM-UHFFFAOYSA-N 1 3 359.514 2.465 20 0 FEADHO O=C(CCN1CCc2ccccc2C1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000471388011 561003665 /nfs/dbraw/zinc/00/36/65/561003665.db2.gz MPKBRJZKXCINJO-GOSISDBHSA-N 1 3 371.525 2.052 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472262019 561022232 /nfs/dbraw/zinc/02/22/32/561022232.db2.gz LJHIPZQVNVVNCR-KRWDZBQOSA-N 1 3 373.497 2.105 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)CC1 ZINC000473822122 561058261 /nfs/dbraw/zinc/05/82/61/561058261.db2.gz SSUMRKBZMBMCMC-WMZOPIPTSA-N 1 3 359.518 2.433 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000473822122 561058262 /nfs/dbraw/zinc/05/82/62/561058262.db2.gz SSUMRKBZMBMCMC-WMZOPIPTSA-N 1 3 359.518 2.433 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000476958769 561132915 /nfs/dbraw/zinc/13/29/15/561132915.db2.gz CPFYDNACKPIVLR-LJQANCHMSA-N 1 3 362.518 2.473 20 0 FEADHO COc1ccc([C@H](CNC(=O)N2CCNC[C@@H]2C(C)C)[NH+]2CCCC2)cc1 ZINC000529285638 562367268 /nfs/dbraw/zinc/36/72/68/562367268.db2.gz XRWASTMMUXEDDO-UXHICEINSA-N 1 3 374.529 2.472 20 0 FEADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000529353307 562370724 /nfs/dbraw/zinc/37/07/24/562370724.db2.gz WMQJVMPRXOCBSP-HSALFYBXSA-N 1 3 368.525 2.435 20 0 FEADHO C[C@H](CNC(=O)CC1(N2CCOCC2)CCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000530571867 562416272 /nfs/dbraw/zinc/41/62/72/562416272.db2.gz OHBUQAZANLZUHX-ZWKOTPCHSA-N 1 3 351.535 2.401 20 0 FEADHO Cc1cccc2ncc(CNCc3ccc(C(=O)NCC[NH+](C)C)cc3)n21 ZINC000530664679 562419627 /nfs/dbraw/zinc/41/96/27/562419627.db2.gz YWCXWFUNLZDGNV-UHFFFAOYSA-N 1 3 365.481 2.224 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCN2CCOC[C@@H]2C)CC1 ZINC000531784192 562456562 /nfs/dbraw/zinc/45/65/62/562456562.db2.gz RNHZYUJLBXSIPM-IBGZPJMESA-N 1 3 360.546 2.029 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000532991304 562494831 /nfs/dbraw/zinc/49/48/31/562494831.db2.gz MGJFPQSFNWKCFP-IRLDBZIGSA-N 1 3 373.541 2.108 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000532991304 562494832 /nfs/dbraw/zinc/49/48/32/562494832.db2.gz MGJFPQSFNWKCFP-IRLDBZIGSA-N 1 3 373.541 2.108 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000533027652 562496062 /nfs/dbraw/zinc/49/60/62/562496062.db2.gz OOWHFRIAJYLDGN-YJBOKZPZSA-N 1 3 357.502 2.143 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000533027652 562496063 /nfs/dbraw/zinc/49/60/63/562496063.db2.gz OOWHFRIAJYLDGN-YJBOKZPZSA-N 1 3 357.502 2.143 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000533027652 562496064 /nfs/dbraw/zinc/49/60/64/562496064.db2.gz OOWHFRIAJYLDGN-YJBOKZPZSA-N 1 3 357.502 2.143 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000533047247 562496695 /nfs/dbraw/zinc/49/66/95/562496695.db2.gz GZOSNGIIPYWUTN-IRLDBZIGSA-N 1 3 373.541 2.250 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000533047247 562496696 /nfs/dbraw/zinc/49/66/96/562496696.db2.gz GZOSNGIIPYWUTN-IRLDBZIGSA-N 1 3 373.541 2.250 20 0 FEADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000533047855 562496761 /nfs/dbraw/zinc/49/67/61/562496761.db2.gz RXKNSMJQETVIHL-PMACEKPBSA-N 1 3 362.562 2.020 20 0 FEADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000533047855 562496762 /nfs/dbraw/zinc/49/67/62/562496762.db2.gz RXKNSMJQETVIHL-PMACEKPBSA-N 1 3 362.562 2.020 20 0 FEADHO COc1cccc(C(C)(C)CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000533546761 562512507 /nfs/dbraw/zinc/51/25/07/562512507.db2.gz NMAOWJRUOWUPFF-UHFFFAOYSA-N 1 3 364.534 2.108 20 0 FEADHO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000602656127 568006305 /nfs/dbraw/zinc/00/63/05/568006305.db2.gz WHONJCJWTGPVEB-LPHOPBHVSA-N 1 3 362.514 2.232 20 0 FEADHO CCOC(=O)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)[nH]1 ZINC000602709247 568018663 /nfs/dbraw/zinc/01/86/63/568018663.db2.gz IQXKFTLVJZAXMG-SFHVURJKSA-N 1 3 357.454 2.048 20 0 FEADHO CCOC(=O)c1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[nH]1 ZINC000602709247 568018665 /nfs/dbraw/zinc/01/86/65/568018665.db2.gz IQXKFTLVJZAXMG-SFHVURJKSA-N 1 3 357.454 2.048 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2)CC1 ZINC000603812781 568144531 /nfs/dbraw/zinc/14/45/31/568144531.db2.gz LBYFHZWCEARMMC-SFHVURJKSA-N 1 3 358.530 2.241 20 0 FEADHO CN1CCC(n2cc(NC(=O)NCC3(C[NH+](C)C)CCCC3)cn2)CC1 ZINC000637046663 568326999 /nfs/dbraw/zinc/32/69/99/568326999.db2.gz JKLQQEGYVQQARL-UHFFFAOYSA-N 1 3 362.522 2.393 20 0 FEADHO CN(C)C1CC[NH+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000818167373 675200989 /nfs/dbraw/zinc/20/09/89/675200989.db2.gz LFKGLQRNNXTMOF-IBGZPJMESA-N 1 3 355.523 2.165 20 0 FEADHO C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736768709 598287431 /nfs/dbraw/zinc/28/74/31/598287431.db2.gz IGJJCHUDYBXSPP-UHFFFAOYSA-N 1 3 366.469 2.139 20 0 FEADHO C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736768709 598287433 /nfs/dbraw/zinc/28/74/33/598287433.db2.gz IGJJCHUDYBXSPP-UHFFFAOYSA-N 1 3 366.469 2.139 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CO)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000557276728 674443988 /nfs/dbraw/zinc/44/39/88/674443988.db2.gz MQYUXPVGXAAVCP-DBVUQKKJSA-N 1 3 352.494 2.456 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CO)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000557276728 674443991 /nfs/dbraw/zinc/44/39/91/674443991.db2.gz MQYUXPVGXAAVCP-DBVUQKKJSA-N 1 3 352.494 2.456 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810465924 674545676 /nfs/dbraw/zinc/54/56/76/674545676.db2.gz BSQXUOHVFJAANI-VQIMIIECSA-N 1 3 357.514 2.158 20 0 FEADHO C[NH+]1CCC(n2ccc(NC(=O)[C@]3(F)CCN(C(C)(C)C)C3)n2)CC1 ZINC000811469004 674606922 /nfs/dbraw/zinc/60/69/22/674606922.db2.gz RKFQOGOQJDMGID-SFHVURJKSA-N 1 3 351.470 2.301 20 0 FEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000562959499 674827350 /nfs/dbraw/zinc/82/73/50/674827350.db2.gz VMNKYMWJOIBCAY-VQIMIIECSA-N 1 3 365.543 2.219 20 0 FEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000562959494 674827368 /nfs/dbraw/zinc/82/73/68/674827368.db2.gz VMNKYMWJOIBCAY-LPHOPBHVSA-N 1 3 365.543 2.219 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2CCC[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000563606928 674915898 /nfs/dbraw/zinc/91/58/98/674915898.db2.gz PNZRKFMGTDMKIF-WMLDXEAASA-N 1 3 350.532 2.392 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](OC)C[C@@H]3C)CC2)CC1 ZINC000565370843 675115801 /nfs/dbraw/zinc/11/58/01/675115801.db2.gz AAKGRAVTBSXXLZ-QFBILLFUSA-N 1 3 351.535 2.209 20 0 FEADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817916938 675186227 /nfs/dbraw/zinc/18/62/27/675186227.db2.gz MOAGTJJFVDZYGI-GHMZBOCLSA-N 1 3 354.394 2.074 20 0 FEADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H](O)C(C)C ZINC000574927043 671286909 /nfs/dbraw/zinc/28/69/09/671286909.db2.gz VTDNJZUDCLGODO-OALUTQOASA-N 1 3 353.551 2.094 20 0 FEADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H](O)CC(F)(F)F)CC1 ZINC000577365205 671590842 /nfs/dbraw/zinc/59/08/42/671590842.db2.gz RGELMOLGHGVBEH-QGZVFWFLSA-N 1 3 359.436 2.227 20 0 FEADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000583921349 672139309 /nfs/dbraw/zinc/13/93/09/672139309.db2.gz QYVSZBWGUZQXJW-MWTAGDMHSA-N 1 3 362.440 2.218 20 0 FEADHO CCOC(=O)CC[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192776584 672701560 /nfs/dbraw/zinc/70/15/60/672701560.db2.gz OVQOUVFPLQKCTG-IBGZPJMESA-N 1 3 353.551 2.458 20 0 FEADHO CCOC(=O)CC[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192776584 672701576 /nfs/dbraw/zinc/70/15/76/672701576.db2.gz OVQOUVFPLQKCTG-IBGZPJMESA-N 1 3 353.551 2.458 20 0 FEADHO C[C@H]1C[C@H](NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000721855616 673084257 /nfs/dbraw/zinc/08/42/57/673084257.db2.gz SJRZDJVPFFDOGF-DOTOQJQBSA-N 1 3 354.539 2.048 20 0 FEADHO C[C@H]1C[C@H](NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000721855616 673084263 /nfs/dbraw/zinc/08/42/63/673084263.db2.gz SJRZDJVPFFDOGF-DOTOQJQBSA-N 1 3 354.539 2.048 20 0 FEADHO CN(C)[C@@H](CNC(=S)NCC(C)(C)C[NH+](C)C)Cc1ccccc1 ZINC000727066120 673152447 /nfs/dbraw/zinc/15/24/47/673152447.db2.gz FRPCLPFFKPONAO-QGZVFWFLSA-N 1 3 350.576 2.211 20 0 FEADHO C[NH+](C)C[C@@H]1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000733209067 673403401 /nfs/dbraw/zinc/40/34/01/673403401.db2.gz HIQNGUQSFKHJNK-SFHVURJKSA-N 1 3 360.571 2.409 20 0 FEADHO CCOC(=O)CCCCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000543520892 673651692 /nfs/dbraw/zinc/65/16/92/673651692.db2.gz DFRYZBPSLORSKD-UHFFFAOYSA-N 1 3 353.551 2.459 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]4CSC[C@@H]4C3)CC2)CC1 ZINC000827118427 675730909 /nfs/dbraw/zinc/73/09/09/675730909.db2.gz CHAXQDUVEJWUGX-MSOLQXFVSA-N 1 3 365.587 2.394 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)NC2CC[NH+](CC3CC3)CC2)cc(Cl)n1 ZINC000827376607 675751965 /nfs/dbraw/zinc/75/19/65/675751965.db2.gz WLFXUNORQFINTE-INIZCTEOSA-N 1 3 350.894 2.424 20 0 FEADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(F)cc1F ZINC000606467837 675834752 /nfs/dbraw/zinc/83/47/52/675834752.db2.gz JHSAOGICZMLEHG-LJQANCHMSA-N 1 3 355.473 2.396 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)C2CC[NH+](C)CC2)o1 ZINC000606699238 675839449 /nfs/dbraw/zinc/83/94/49/675839449.db2.gz IIACPIUZEWWIIU-MRXNPFEDSA-N 1 3 350.507 2.392 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000617505691 676288791 /nfs/dbraw/zinc/28/87/91/676288791.db2.gz MTVUZRYYMJEXMS-JQFCIGGWSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000617505691 676288792 /nfs/dbraw/zinc/28/87/92/676288792.db2.gz MTVUZRYYMJEXMS-JQFCIGGWSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COc1ccc(F)c(Cl)c1 ZINC000617504524 676288826 /nfs/dbraw/zinc/28/88/26/676288826.db2.gz ZQTDRAVZNBOVIR-ZDUSSCGKSA-N 1 3 359.873 2.246 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COc1ccc(F)c(Cl)c1 ZINC000617504524 676288829 /nfs/dbraw/zinc/28/88/29/676288829.db2.gz ZQTDRAVZNBOVIR-ZDUSSCGKSA-N 1 3 359.873 2.246 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1ccccc1Cl ZINC000617503967 676289083 /nfs/dbraw/zinc/28/90/83/676289083.db2.gz CJONQUWNXOPUOH-GJZGRUSLSA-N 1 3 355.910 2.496 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1ccccc1Cl ZINC000617503967 676289085 /nfs/dbraw/zinc/28/90/85/676289085.db2.gz CJONQUWNXOPUOH-GJZGRUSLSA-N 1 3 355.910 2.496 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(OC(F)F)c(F)c1 ZINC000617507608 676289275 /nfs/dbraw/zinc/28/92/75/676289275.db2.gz CDCIIPYHOBZVSS-LBPRGKRZSA-N 1 3 361.408 2.429 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(OC(F)F)c(F)c1 ZINC000617507608 676289279 /nfs/dbraw/zinc/28/92/79/676289279.db2.gz CDCIIPYHOBZVSS-LBPRGKRZSA-N 1 3 361.408 2.429 20 0 FEADHO Cc1cc(CNCCCC[N@@H+]2CCC[C@@H]2CO)ncc1Br ZINC000623412742 676534001 /nfs/dbraw/zinc/53/40/01/676534001.db2.gz ZFCLCDXQESBVLI-OAHLLOKOSA-N 1 3 356.308 2.479 20 0 FEADHO Cc1cc(CNCCCC[N@H+]2CCC[C@@H]2CO)ncc1Br ZINC000623412742 676534004 /nfs/dbraw/zinc/53/40/04/676534004.db2.gz ZFCLCDXQESBVLI-OAHLLOKOSA-N 1 3 356.308 2.479 20 0 FEADHO CC1CCN([C@@H](CNC(=O)NCCOCCC[NH3+])c2cccs2)CC1 ZINC000626922419 676728759 /nfs/dbraw/zinc/72/87/59/676728759.db2.gz WSJDIXXTYIHIKA-INIZCTEOSA-N 1 3 368.547 2.186 20 0 FEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627023005 676735258 /nfs/dbraw/zinc/73/52/58/676735258.db2.gz HQIYSZKZEAIRSA-MCIONIFRSA-N 1 3 364.456 2.276 20 0 FEADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCCOCCC[NH3+])cc1 ZINC000629534736 676858601 /nfs/dbraw/zinc/85/86/01/676858601.db2.gz ALLMZUJXMYIINA-ZWKOTPCHSA-N 1 3 354.516 2.035 20 0 FEADHO COc1cc(Cl)c(CNCCN2CCC([NH+](C)C)CC2)cc1OC ZINC000631084091 676932701 /nfs/dbraw/zinc/93/27/01/676932701.db2.gz RSPXSTYYRYBLTR-UHFFFAOYSA-N 1 3 355.910 2.473 20 0 FEADHO [NH3+]C[C@@H]1CN(CCc2cccc3c2OC(F)(F)O3)CC12CCOCC2 ZINC000631827782 676959303 /nfs/dbraw/zinc/95/93/03/676959303.db2.gz WLAPUEYOQXFBAS-CQSZACIVSA-N 1 3 354.397 2.238 20 0 FEADHO FC(F)[C@@H]1CCN(CCCC[N@@H+]2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634757173 677081515 /nfs/dbraw/zinc/08/15/15/677081515.db2.gz MQHLAUZDNWPMNW-KBPBESRZSA-N 1 3 356.404 2.479 20 0 FEADHO FC(F)[C@@H]1CCN(CCCC[N@H+]2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634757173 677081516 /nfs/dbraw/zinc/08/15/16/677081516.db2.gz MQHLAUZDNWPMNW-KBPBESRZSA-N 1 3 356.404 2.479 20 0 FEADHO CC(C)C[C@@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000646042164 677277800 /nfs/dbraw/zinc/27/78/00/677277800.db2.gz HTIUEYYCJQUTOY-GOSISDBHSA-N 1 3 351.466 2.159 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000647277182 677299468 /nfs/dbraw/zinc/29/94/68/677299468.db2.gz JZHUMSNXLADYSY-UHFFFAOYSA-N 1 3 361.511 2.288 20 0 FEADHO CN1CCC([NH+]2CCC(NC(=O)[C@H](N)c3cccc(Cl)c3)CC2)CC1 ZINC000649312031 677329203 /nfs/dbraw/zinc/32/92/03/677329203.db2.gz FXXPQYSIHJDZGZ-GOSISDBHSA-N 1 3 364.921 2.015 20 0 FEADHO Cn1c2ccc(CN3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)cc2sc1=O ZINC000650725387 677387317 /nfs/dbraw/zinc/38/73/17/677387317.db2.gz ZOJGMACGKCTRDG-INMHGKMJSA-N 1 3 361.511 2.461 20 0 FEADHO COc1cc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc(OC)c1O ZINC000650725305 677387384 /nfs/dbraw/zinc/38/73/84/677387384.db2.gz XSZQBRHTAZQWKQ-ARFHVFGLSA-N 1 3 350.459 2.270 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)CCCO)CC2)CC1 ZINC000654982040 677616163 /nfs/dbraw/zinc/61/61/63/677616163.db2.gz KNRGFCXUTDTUNL-UHFFFAOYSA-N 1 3 353.551 2.098 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](CO)CC(C)C)CC2)CC1 ZINC000655005643 677617200 /nfs/dbraw/zinc/61/72/00/677617200.db2.gz JGAIYODRIZJHQJ-LJQANCHMSA-N 1 3 353.551 2.048 20 0 FEADHO CC[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)N1CCc2ccccc2C1 ZINC000655912223 677672019 /nfs/dbraw/zinc/67/20/19/677672019.db2.gz LMRZZBFYHSVHIP-CABCVRRESA-N 1 3 358.408 2.012 20 0 FEADHO CNC(=O)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)Cc1ccc(C(F)(F)F)cc1 ZINC000656200244 677727781 /nfs/dbraw/zinc/72/77/81/677727781.db2.gz JODIHBWZZIRJPF-IMJJTQAJSA-N 1 3 357.420 2.470 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000658386770 678081734 /nfs/dbraw/zinc/08/17/34/678081734.db2.gz CHPAGLMBRLJKCM-SFHVURJKSA-N 1 3 365.543 2.149 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]([C@H]3CCCCO3)C2)CC1 ZINC000661874367 678544536 /nfs/dbraw/zinc/54/45/36/678544536.db2.gz JHWFQGUXMATFFG-IEBWSBKVSA-N 1 3 351.535 2.257 20 0 FEADHO CN(C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000662252461 678596347 /nfs/dbraw/zinc/59/63/47/678596347.db2.gz OJBSBYZONCJUMK-KNXALSJPSA-N 1 3 357.281 2.404 20 0 FEADHO CN(CCOc1ccc(Br)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249919 678596411 /nfs/dbraw/zinc/59/64/11/678596411.db2.gz VIBGKOIRQJBLNY-OAHLLOKOSA-N 1 3 355.276 2.281 20 0 FEADHO CCN(CC)[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000662384531 678615019 /nfs/dbraw/zinc/61/50/19/678615019.db2.gz QEFQQWICFDDWLX-CZUORRHYSA-N 1 3 361.515 2.361 20 0 FEADHO CCc1nc(CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cs1 ZINC000665640416 678974563 /nfs/dbraw/zinc/97/45/63/678974563.db2.gz ULVPRKWFTMVBFM-AWEZNQCLSA-N 1 3 355.552 2.119 20 0 FEADHO CCc1nc(CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cs1 ZINC000665640416 678974564 /nfs/dbraw/zinc/97/45/64/678974564.db2.gz ULVPRKWFTMVBFM-AWEZNQCLSA-N 1 3 355.552 2.119 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000669389531 679231821 /nfs/dbraw/zinc/23/18/21/679231821.db2.gz MYRGYRBKNVJEKL-HZPDHXFCSA-N 1 3 354.564 2.165 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000669592670 679244374 /nfs/dbraw/zinc/24/43/74/679244374.db2.gz CXYKTGXROSWAKB-NVXWUHKLSA-N 1 3 350.532 2.453 20 0 FEADHO C[C@H](NC(=O)N(C)CCCN(C)Cc1ccco1)C1CC[NH+](C)CC1 ZINC000672456935 679376675 /nfs/dbraw/zinc/37/66/75/679376675.db2.gz BMJHDKSXKJRVJV-INIZCTEOSA-N 1 3 350.507 2.473 20 0 FEADHO Cc1ncsc1CN1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001016631903 680060061 /nfs/dbraw/zinc/06/00/61/680060061.db2.gz GEKCABOTAFOTPF-BFYDXBDKSA-N 1 3 362.543 2.262 20 0 FEADHO Cc1ncsc1CN1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001016631903 680060063 /nfs/dbraw/zinc/06/00/63/680060063.db2.gz GEKCABOTAFOTPF-BFYDXBDKSA-N 1 3 362.543 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cc(F)ccc3F)C2)CC[N@@H+]1C ZINC001020173702 680102750 /nfs/dbraw/zinc/10/27/50/680102750.db2.gz APEODUZGVQIMPV-NBOOPKSLSA-N 1 3 351.441 2.432 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cc(F)ccc3F)C2)CC[N@H+]1C ZINC001020173702 680102752 /nfs/dbraw/zinc/10/27/52/680102752.db2.gz APEODUZGVQIMPV-NBOOPKSLSA-N 1 3 351.441 2.432 20 0 FEADHO CC[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834531441 680238961 /nfs/dbraw/zinc/23/89/61/680238961.db2.gz ZFYFKDUDNZRECP-IXDOHACOSA-N 1 3 355.523 2.211 20 0 FEADHO Cc1nc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)sc1C ZINC000997784985 680366473 /nfs/dbraw/zinc/36/64/73/680366473.db2.gz GQDCETAVXIZANV-RHSMWYFYSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1nc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)sc1C ZINC000997784985 680366476 /nfs/dbraw/zinc/36/64/76/680366476.db2.gz GQDCETAVXIZANV-RHSMWYFYSA-N 1 3 364.559 2.428 20 0 FEADHO CN(C(=O)NCC1(N2CCSCC2)CCCC1)C1CCC([NH3+])CC1 ZINC000841710581 680908550 /nfs/dbraw/zinc/90/85/50/680908550.db2.gz ZEQZGKWBXKSWOK-UHFFFAOYSA-N 1 3 354.564 2.259 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc(Cl)n1 ZINC000841851086 680914640 /nfs/dbraw/zinc/91/46/40/680914640.db2.gz KGCQVUWUZGVNHG-GDBMZVCRSA-N 1 3 350.894 2.281 20 0 FEADHO CN1CCCC[C@@H]1CC[NH+]1CCC(O)(CNC(=O)OC(C)(C)C)CC1 ZINC000842169737 680929951 /nfs/dbraw/zinc/92/99/51/680929951.db2.gz MVEFNMKAQNWLNP-MRXNPFEDSA-N 1 3 355.523 2.212 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1Cl ZINC000849113823 681656701 /nfs/dbraw/zinc/65/67/01/681656701.db2.gz KSTWAGZLJWIDJQ-AWEZNQCLSA-N 1 3 368.909 2.498 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3c(F)cccc3F)C2)CC[N@@H+]1C ZINC000961849524 682102439 /nfs/dbraw/zinc/10/24/39/682102439.db2.gz OLJQMUZVDFINAV-XSCHDIRWSA-N 1 3 351.441 2.289 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3c(F)cccc3F)C2)CC[N@H+]1C ZINC000961849524 682102444 /nfs/dbraw/zinc/10/24/44/682102444.db2.gz OLJQMUZVDFINAV-XSCHDIRWSA-N 1 3 351.441 2.289 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3cc(O)ccc3Cl)C2)CC[N@@H+]1C ZINC000961857482 682103038 /nfs/dbraw/zinc/10/30/38/682103038.db2.gz UYGCNKSDHCZNCU-ZHOLYQSMSA-N 1 3 365.905 2.370 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3cc(O)ccc3Cl)C2)CC[N@H+]1C ZINC000961857482 682103042 /nfs/dbraw/zinc/10/30/42/682103042.db2.gz UYGCNKSDHCZNCU-ZHOLYQSMSA-N 1 3 365.905 2.370 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(CCc3scnc3C)C2)CC[N@@H+]1C ZINC000969708046 682273950 /nfs/dbraw/zinc/27/39/50/682273950.db2.gz YWFYKTOGMXQVHZ-XOKHGSTOSA-N 1 3 364.559 2.161 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(CCc3scnc3C)C2)CC[N@H+]1C ZINC000969708046 682273953 /nfs/dbraw/zinc/27/39/53/682273953.db2.gz YWFYKTOGMXQVHZ-XOKHGSTOSA-N 1 3 364.559 2.161 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCc3scnc3C)C2)CC[N@@H+]1C ZINC000971566567 682361329 /nfs/dbraw/zinc/36/13/29/682361329.db2.gz GPBLFVYSNKZZLJ-IXDOHACOSA-N 1 3 364.559 2.257 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)CCc3scnc3C)C2)CC[N@H+]1C ZINC000971566567 682361336 /nfs/dbraw/zinc/36/13/36/682361336.db2.gz GPBLFVYSNKZZLJ-IXDOHACOSA-N 1 3 364.559 2.257 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000931185024 683848952 /nfs/dbraw/zinc/84/89/52/683848952.db2.gz IFRLAIKDBLKLKX-HOTGVXAUSA-N 1 3 355.523 2.209 20 0 FEADHO [NH3+]CC[C@H]1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000923480130 684287589 /nfs/dbraw/zinc/28/75/89/684287589.db2.gz VTTOEWGAFOADTN-XHDPSFHLSA-N 1 3 352.276 2.373 20 0 FEADHO O=C(NCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1c(F)cccc1F ZINC000925598153 684572423 /nfs/dbraw/zinc/57/24/23/684572423.db2.gz UMCYCOAJPTVUQX-RHSMWYFYSA-N 1 3 351.441 2.453 20 0 FEADHO Cc1ccc(S(=O)(=O)NCCN[C@@H](CCC[NH3+])c2ccccc2)s1 ZINC000925617391 684574383 /nfs/dbraw/zinc/57/43/83/684574383.db2.gz QXJLBRSMBQNPNQ-INIZCTEOSA-N 1 3 367.540 2.405 20 0 FEADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000925783935 684584931 /nfs/dbraw/zinc/58/49/31/684584931.db2.gz POQIKWCTRNXPED-OCCSQVGLSA-N 1 3 361.458 2.344 20 0 FEADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cccc(OC(F)(F)F)c1 ZINC000873232509 685100542 /nfs/dbraw/zinc/10/05/42/685100542.db2.gz RWSQMJQVDOBWAR-STQMWFEESA-N 1 3 359.392 2.433 20 0 FEADHO CCCN(CCNC1CC[NH+](CC(C)(C)O)CC1)C(=O)OC(C)(C)C ZINC000877125469 686328608 /nfs/dbraw/zinc/32/86/08/686328608.db2.gz NAVHGKOCMTWZLX-UHFFFAOYSA-N 1 3 357.539 2.458 20 0 FEADHO CC[C@](C)(COc1ncccc1Cl)NCC(=O)NC1CC[NH+](C)CC1 ZINC000878286595 686558150 /nfs/dbraw/zinc/55/81/50/686558150.db2.gz JVYYPVILKBUSRH-GOSISDBHSA-N 1 3 368.909 2.083 20 0 FEADHO CCO[C@@H]1C[C@@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000878766297 686653825 /nfs/dbraw/zinc/65/38/25/686653825.db2.gz WEQUSBBIZLWRNF-YRXWBPOGSA-N 1 3 350.528 2.122 20 0 FEADHO CCO[C@@H]1C[C@@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000878766297 686653829 /nfs/dbraw/zinc/65/38/29/686653829.db2.gz WEQUSBBIZLWRNF-YRXWBPOGSA-N 1 3 350.528 2.122 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)Cc2ccccc2F)[C@@H](C)C1 ZINC000886672421 688288225 /nfs/dbraw/zinc/28/82/25/688288225.db2.gz OHPQRSNURWHELV-HQRMLTQVSA-N 1 3 352.494 2.456 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)Cc2ccccc2F)[C@@H](C)C1 ZINC000886672421 688288229 /nfs/dbraw/zinc/28/82/29/688288229.db2.gz OHPQRSNURWHELV-HQRMLTQVSA-N 1 3 352.494 2.456 20 0 FEADHO C[N@@H+]1C[C@@H]2CN(C(=O)NC[C@H](c3cccs3)N3CCCC3)C[C@]2(C)C1 ZINC000891543217 689075878 /nfs/dbraw/zinc/07/58/78/689075878.db2.gz RDVNUJFWPJSMSU-MDZRGWNJSA-N 1 3 362.543 2.478 20 0 FEADHO C[N@H+]1C[C@@H]2CN(C(=O)NC[C@H](c3cccs3)N3CCCC3)C[C@]2(C)C1 ZINC000891543217 689075884 /nfs/dbraw/zinc/07/58/84/689075884.db2.gz RDVNUJFWPJSMSU-MDZRGWNJSA-N 1 3 362.543 2.478 20 0 FEADHO C[C@H]1CSCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000892521980 689207762 /nfs/dbraw/zinc/20/77/62/689207762.db2.gz LUESYIQPCPDRNX-HNNXBMFYSA-N 1 3 354.564 2.082 20 0 FEADHO O=S(=O)(CCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1 ZINC000903749877 690969809 /nfs/dbraw/zinc/96/98/09/690969809.db2.gz RDESIGVVOJKLHF-IRXDYDNUSA-N 1 3 351.516 2.140 20 0 FEADHO CC[NH+](CC)CCOc1cccc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000904614576 691036898 /nfs/dbraw/zinc/03/68/98/691036898.db2.gz FRDCFTLCGUMJIB-IAGOWNOFSA-N 1 3 352.454 2.310 20 0 FEADHO Cn1cc(CN2CC[C@H]3CN(c4[nH+]ccc5c4ccn5C)C[C@@H]3C2)cn1 ZINC001164771627 721097904 /nfs/dbraw/zinc/09/79/04/721097904.db2.gz SIMJOZVQKYDCBN-IRXDYDNUSA-N 1 3 350.470 2.265 20 0 FEADHO Cc1c[nH+]c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1N ZINC001164976100 722137090 /nfs/dbraw/zinc/13/70/90/722137090.db2.gz HDFZUXKUOFLFKH-MJGOQNOKSA-N 1 3 353.470 2.095 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCCC[N@H+](C)C(C)C)c1 ZINC000041717519 540030849 /nfs/dbraw/zinc/03/08/49/540030849.db2.gz NTRPCVASFGRRFT-UHFFFAOYSA-N 1 3 362.518 2.313 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)c1 ZINC000041717519 540030851 /nfs/dbraw/zinc/03/08/51/540030851.db2.gz NTRPCVASFGRRFT-UHFFFAOYSA-N 1 3 362.518 2.313 20 0 FEADHO C[C@@H]1CCCCN1CCNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000045814441 540229846 /nfs/dbraw/zinc/22/98/46/540229846.db2.gz DPVRWUXSDIQEFL-QGZVFWFLSA-N 1 3 362.518 2.301 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3noc4ccccc34)CC2)CC1 ZINC000050801073 540414525 /nfs/dbraw/zinc/41/45/25/540414525.db2.gz SDVJRAQTLRPBCG-UHFFFAOYSA-N 1 3 356.470 2.045 20 0 FEADHO C[C@@H](Oc1cccc(F)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050799077 540414883 /nfs/dbraw/zinc/41/48/83/540414883.db2.gz UMLMIEQDFGOCTH-OAHLLOKOSA-N 1 3 363.477 2.268 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)CNc3ccccc3Cl)CC2)CC1 ZINC000050796904 540414229 /nfs/dbraw/zinc/41/42/29/540414229.db2.gz SHXMOUWCDZBJDW-UHFFFAOYSA-N 1 3 364.921 2.427 20 0 FEADHO C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(CN2CCOCC2)CC1 ZINC000051959054 540449708 /nfs/dbraw/zinc/44/97/08/540449708.db2.gz PMBVSKLNAQQZPP-GOSISDBHSA-N 1 3 363.546 2.426 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(CN(CC)CC)c2)C1 ZINC000067393643 541454840 /nfs/dbraw/zinc/45/48/40/541454840.db2.gz VKVKCIMMWDCTSX-SFHVURJKSA-N 1 3 374.529 2.315 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(CN(CC)CC)c2)C1 ZINC000067393643 541454843 /nfs/dbraw/zinc/45/48/43/541454843.db2.gz VKVKCIMMWDCTSX-SFHVURJKSA-N 1 3 374.529 2.315 20 0 FEADHO C[C@H](CC[NH+](C)C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000068592754 541612308 /nfs/dbraw/zinc/61/23/08/541612308.db2.gz YVMRZSHUDMUWMA-CQSZACIVSA-N 1 3 356.461 2.378 20 0 FEADHO Cc1ccc([C@H](CNC(=O)NCC2([NH+](C)C)CCOCC2)N(C)C)cc1 ZINC000073208710 541929876 /nfs/dbraw/zinc/92/98/76/541929876.db2.gz MULZMGBXEWUYME-SFHVURJKSA-N 1 3 362.518 2.008 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000073854590 542008235 /nfs/dbraw/zinc/00/82/35/542008235.db2.gz VSXONXDSUFUPSZ-GOSISDBHSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000073854590 542008241 /nfs/dbraw/zinc/00/82/41/542008241.db2.gz VSXONXDSUFUPSZ-GOSISDBHSA-N 1 3 356.514 2.435 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000074177328 542049310 /nfs/dbraw/zinc/04/93/10/542049310.db2.gz LUBIETBRMHBHJV-HXUWFJFHSA-N 1 3 358.530 2.141 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000074493949 542090358 /nfs/dbraw/zinc/09/03/58/542090358.db2.gz ZZCCJYVYUQLVCK-FQEVSTJZSA-N 1 3 373.545 2.214 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000074493949 542090360 /nfs/dbraw/zinc/09/03/60/542090360.db2.gz ZZCCJYVYUQLVCK-FQEVSTJZSA-N 1 3 373.545 2.214 20 0 FEADHO C[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N1CCC[C@@H](C)C1 ZINC000074851213 542129376 /nfs/dbraw/zinc/12/93/76/542129376.db2.gz AWRYCVNKLUYWMY-ZIFCJYIRSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N1CCC[C@@H](C)C1 ZINC000074851213 542129381 /nfs/dbraw/zinc/12/93/81/542129381.db2.gz AWRYCVNKLUYWMY-ZIFCJYIRSA-N 1 3 350.551 2.480 20 0 FEADHO CC(=O)N1CCC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000075810095 542204989 /nfs/dbraw/zinc/20/49/89/542204989.db2.gz CVZWLPVVIMVVAP-UHFFFAOYSA-N 1 3 372.557 2.185 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000077800273 542421995 /nfs/dbraw/zinc/42/19/95/542421995.db2.gz HTQJGNSOITWLJH-SFHVURJKSA-N 1 3 360.502 2.007 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000077800273 542421997 /nfs/dbraw/zinc/42/19/97/542421997.db2.gz HTQJGNSOITWLJH-SFHVURJKSA-N 1 3 360.502 2.007 20 0 FEADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000079734234 542539399 /nfs/dbraw/zinc/53/93/99/542539399.db2.gz QLEAHDOOLDPMDP-IBGZPJMESA-N 1 3 358.530 2.429 20 0 FEADHO CC(C)(C)OC(=O)N1CCC[C@@](O)(CNCCC[NH+]2CCCC2)CC1 ZINC000818161047 675199834 /nfs/dbraw/zinc/19/98/34/675199834.db2.gz PKQSKIFZAWRELF-IBGZPJMESA-N 1 3 355.523 2.214 20 0 FEADHO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+]CCCN2CCCC2)CC1 ZINC000818161047 675199836 /nfs/dbraw/zinc/19/98/36/675199836.db2.gz PKQSKIFZAWRELF-IBGZPJMESA-N 1 3 355.523 2.214 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000089666081 542768100 /nfs/dbraw/zinc/76/81/00/542768100.db2.gz DFBMDFYDDRTFMU-DOMZBBRYSA-N 1 3 354.292 2.109 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000089666081 542768102 /nfs/dbraw/zinc/76/81/02/542768102.db2.gz DFBMDFYDDRTFMU-DOMZBBRYSA-N 1 3 354.292 2.109 20 0 FEADHO CCCc1cc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)n(C)n1 ZINC000091094595 542794395 /nfs/dbraw/zinc/79/43/95/542794395.db2.gz PPFJEJHSEPWYCG-QGZVFWFLSA-N 1 3 364.538 2.252 20 0 FEADHO CCCc1cc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)n(C)n1 ZINC000091094595 542794398 /nfs/dbraw/zinc/79/43/98/542794398.db2.gz PPFJEJHSEPWYCG-QGZVFWFLSA-N 1 3 364.538 2.252 20 0 FEADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1CCCN1C ZINC000092500561 542866804 /nfs/dbraw/zinc/86/68/04/542866804.db2.gz IDMSULVNSMAGQY-LJQANCHMSA-N 1 3 359.518 2.424 20 0 FEADHO CC1CCN(C[C@H](O)C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000098144440 543023463 /nfs/dbraw/zinc/02/34/63/543023463.db2.gz SBPVYISSCUDSLI-JOCHJYFZSA-N 1 3 359.558 2.376 20 0 FEADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000101517050 543027567 /nfs/dbraw/zinc/02/75/67/543027567.db2.gz JKDWUEBPELFUHH-KDURUIRLSA-N 1 3 372.557 2.379 20 0 FEADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000101517050 543027571 /nfs/dbraw/zinc/02/75/71/543027571.db2.gz JKDWUEBPELFUHH-KDURUIRLSA-N 1 3 372.557 2.379 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1ccccc1Br ZINC000103212725 543097294 /nfs/dbraw/zinc/09/72/94/543097294.db2.gz AHZYZERBVOJRAA-UHFFFAOYSA-N 1 3 370.335 2.334 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(F)c(Br)c1 ZINC000103213186 543097308 /nfs/dbraw/zinc/09/73/08/543097308.db2.gz BZUWKXXEHRLTOK-UHFFFAOYSA-N 1 3 374.298 2.083 20 0 FEADHO C[C@H](CNC(=O)NCC1(N2CCSCC2)CCCC1)[N@H+](C)C1CC1 ZINC000105150092 543162690 /nfs/dbraw/zinc/16/26/90/543162690.db2.gz XBKDUYGFFGSXSK-OAHLLOKOSA-N 1 3 354.564 2.130 20 0 FEADHO C[C@H](CNC(=O)NCC1(N2CCSCC2)CCCC1)[N@@H+](C)C1CC1 ZINC000105150092 543162692 /nfs/dbraw/zinc/16/26/92/543162692.db2.gz XBKDUYGFFGSXSK-OAHLLOKOSA-N 1 3 354.564 2.130 20 0 FEADHO COc1cccc([C@@H]2C[C@H]2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000106759616 543245280 /nfs/dbraw/zinc/24/52/80/543245280.db2.gz MVJBDAUPXISNHY-LEWJYISDSA-N 1 3 371.525 2.474 20 0 FEADHO C[C@@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000109953721 543344362 /nfs/dbraw/zinc/34/43/62/543344362.db2.gz YWGBMBVLKORQTD-FQEVSTJZSA-N 1 3 372.557 2.437 20 0 FEADHO O=C(CCCN1CCN(c2ccccc2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000111597141 543408039 /nfs/dbraw/zinc/40/80/39/543408039.db2.gz CZWLNRCFUVNJGA-OAQYLSRUSA-N 1 3 370.541 2.286 20 0 FEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000111485311 543403446 /nfs/dbraw/zinc/40/34/46/543403446.db2.gz NUTVFHDBPCOKQD-FQEVSTJZSA-N 1 3 373.545 2.262 20 0 FEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000111485311 543403447 /nfs/dbraw/zinc/40/34/47/543403447.db2.gz NUTVFHDBPCOKQD-FQEVSTJZSA-N 1 3 373.545 2.262 20 0 FEADHO CCOC[C@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000113974203 543499826 /nfs/dbraw/zinc/49/98/26/543499826.db2.gz LFCCOZRNDKLVKP-KRWDZBQOSA-N 1 3 366.550 2.003 20 0 FEADHO COCC[NH+]1CCC(NC(=O)N2CCN(C3CCC(C)CC3)CC2)CC1 ZINC000115810752 543587172 /nfs/dbraw/zinc/58/71/72/543587172.db2.gz JSAZUVGIMNNYLK-UHFFFAOYSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000123907202 543790340 /nfs/dbraw/zinc/79/03/40/543790340.db2.gz YKDOOUBRIQUQLB-FUHIMQAGSA-N 1 3 363.546 2.209 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CN1C1CC1 ZINC000123419196 543760917 /nfs/dbraw/zinc/76/09/17/543760917.db2.gz SFGAOVLRSRJJGQ-WBVHZDCISA-N 1 3 360.502 2.051 20 0 FEADHO C[C@H](CNC(=O)NCc1ccccc1OCCN(C)C)C[NH+]1CCCC1 ZINC000125294387 543872755 /nfs/dbraw/zinc/87/27/55/543872755.db2.gz ROEOLNOHABKZAG-QGZVFWFLSA-N 1 3 362.518 2.158 20 0 FEADHO C(CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21)CN1CCS[C@@H]2COCC[C@@H]21 ZINC000247493472 549343627 /nfs/dbraw/zinc/34/36/27/549343627.db2.gz ZTHVQWVCVGPVBS-WNRNVDISSA-N 1 3 372.600 2.179 20 0 FEADHO C(CC[N@H+]1CCS[C@@H]2COCC[C@@H]21)CN1CCS[C@@H]2COCC[C@@H]21 ZINC000247493472 549343631 /nfs/dbraw/zinc/34/36/31/549343631.db2.gz ZTHVQWVCVGPVBS-WNRNVDISSA-N 1 3 372.600 2.179 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc(N2CCCC2=O)c1 ZINC000128088629 544032026 /nfs/dbraw/zinc/03/20/26/544032026.db2.gz NFMFWWSYJZIJRH-AEFFLSMTSA-N 1 3 372.513 2.051 20 0 FEADHO CN1CCCN(CCC[NH2+]C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000128241657 544041004 /nfs/dbraw/zinc/04/10/04/544041004.db2.gz RNJGSNLVUARGLV-UHFFFAOYSA-N 1 3 362.537 2.407 20 0 FEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)[C@@H]1CCCO1 ZINC000128286481 544043541 /nfs/dbraw/zinc/04/35/41/544043541.db2.gz VLJKFIIAXHLNRK-BZSNNMDCSA-N 1 3 354.539 2.002 20 0 FEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)[C@@H]1CCCO1 ZINC000128286481 544043544 /nfs/dbraw/zinc/04/35/44/544043544.db2.gz VLJKFIIAXHLNRK-BZSNNMDCSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000128588005 544060929 /nfs/dbraw/zinc/06/09/29/544060929.db2.gz CCMQHYVEGVPPKK-SFHVURJKSA-N 1 3 358.530 2.492 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000133934218 544288458 /nfs/dbraw/zinc/28/84/58/544288458.db2.gz IOTHHALCOLVFJJ-JKSUJKDBSA-N 1 3 359.518 2.389 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000133934218 544288462 /nfs/dbraw/zinc/28/84/62/544288462.db2.gz IOTHHALCOLVFJJ-JKSUJKDBSA-N 1 3 359.518 2.389 20 0 FEADHO CC[C@]1(C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)CCC[NH2+]1 ZINC000134616861 544315400 /nfs/dbraw/zinc/31/54/00/544315400.db2.gz WLVHBVACLKUFNU-MBOZVWFJSA-N 1 3 351.535 2.257 20 0 FEADHO CN(C)CCN(C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000150828079 544476369 /nfs/dbraw/zinc/47/63/69/544476369.db2.gz ROJUBVMMFJVJLV-KRWDZBQOSA-N 1 3 366.550 2.003 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000154237235 544879155 /nfs/dbraw/zinc/87/91/55/544879155.db2.gz HMDDONBPMFGMHK-QGZVFWFLSA-N 1 3 360.502 2.321 20 0 FEADHO C[C@@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)N1CCCCCC1 ZINC000154413606 544903333 /nfs/dbraw/zinc/90/33/33/544903333.db2.gz IUQZMLUGIFGVEN-GURQWTFNSA-N 1 3 362.562 2.020 20 0 FEADHO C[C@@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)N1CCCCCC1 ZINC000154413606 544903339 /nfs/dbraw/zinc/90/33/39/544903339.db2.gz IUQZMLUGIFGVEN-GURQWTFNSA-N 1 3 362.562 2.020 20 0 FEADHO CN(C)C[C@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000154798285 544950644 /nfs/dbraw/zinc/95/06/44/544950644.db2.gz DSHUJMZOOIRCNK-SFHVURJKSA-N 1 3 356.470 2.055 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000154850710 544957158 /nfs/dbraw/zinc/95/71/58/544957158.db2.gz GVQZGYOTZUOUPQ-DLBZAZTESA-N 1 3 352.910 2.331 20 0 FEADHO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000553223243 674246013 /nfs/dbraw/zinc/24/60/13/674246013.db2.gz XWHRSZMSFSBECU-MRXNPFEDSA-N 1 3 364.559 2.464 20 0 FEADHO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000553223243 674246014 /nfs/dbraw/zinc/24/60/14/674246014.db2.gz XWHRSZMSFSBECU-MRXNPFEDSA-N 1 3 364.559 2.464 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1(C)C ZINC000188075300 328064307 /nfs/dbraw/zinc/06/43/07/328064307.db2.gz WWJQAVADNSEIDA-NQIIRXRSSA-N 1 3 359.514 2.084 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1(C)C ZINC000188075300 328064309 /nfs/dbraw/zinc/06/43/09/328064309.db2.gz WWJQAVADNSEIDA-NQIIRXRSSA-N 1 3 359.514 2.084 20 0 FEADHO CC(=O)Nc1ccc(C)c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000189195342 328134376 /nfs/dbraw/zinc/13/43/76/328134376.db2.gz CCMUYNRCNSKRMB-UHFFFAOYSA-N 1 3 372.513 2.242 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189751830 328165872 /nfs/dbraw/zinc/16/58/72/328165872.db2.gz YVGYMNQXFAXBEJ-UHFFFAOYSA-N 1 3 362.518 2.253 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000190079391 328186363 /nfs/dbraw/zinc/18/63/63/328186363.db2.gz OCIMZSLNLSABFV-QFBILLFUSA-N 1 3 372.513 2.162 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)CC1 ZINC000190683424 328224382 /nfs/dbraw/zinc/22/43/82/328224382.db2.gz VRMKBSYRBUICLM-IBGZPJMESA-N 1 3 373.545 2.418 20 0 FEADHO Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000190683477 328224558 /nfs/dbraw/zinc/22/45/58/328224558.db2.gz XCTXBRONZDVWBK-OAHLLOKOSA-N 1 3 365.547 2.009 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCc4cccnc43)CC2)CC1 ZINC000192469343 328320738 /nfs/dbraw/zinc/32/07/38/328320738.db2.gz IJKOXLMAQMKQOL-IBGZPJMESA-N 1 3 356.514 2.176 20 0 FEADHO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192849991 328343264 /nfs/dbraw/zinc/34/32/64/328343264.db2.gz ILDMMANYWGETQB-FQEVSTJZSA-N 1 3 353.551 2.314 20 0 FEADHO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192849991 328343266 /nfs/dbraw/zinc/34/32/66/328343266.db2.gz ILDMMANYWGETQB-FQEVSTJZSA-N 1 3 353.551 2.314 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000078489898 325047614 /nfs/dbraw/zinc/04/76/14/325047614.db2.gz ZQFDADSJEJGXQM-UHFFFAOYSA-N 1 3 362.503 2.162 20 0 FEADHO COc1cccc([C@@H](CNC(=O)[C@@H]([NH3+])CCSC)N2CCCC2)c1 ZINC000237307387 328511975 /nfs/dbraw/zinc/51/19/75/328511975.db2.gz QIBCCFXCXRYYPZ-DLBZAZTESA-N 1 3 351.516 2.029 20 0 FEADHO C[C@H](NC(=O)NCc1ccccc1OCCN(C)C)C(C)(C)C[NH+](C)C ZINC000085360055 325251350 /nfs/dbraw/zinc/25/13/50/325251350.db2.gz BOQGTWAHSJKYRT-INIZCTEOSA-N 1 3 364.534 2.403 20 0 FEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000237868072 328532076 /nfs/dbraw/zinc/53/20/76/328532076.db2.gz SQTDEFHBWBXXCJ-ICSRJNTNSA-N 1 3 358.530 2.223 20 0 FEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000118118530 326082854 /nfs/dbraw/zinc/08/28/54/326082854.db2.gz QBLXDMWNUFDULR-QGZVFWFLSA-N 1 3 374.529 2.458 20 0 FEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000118118530 326082855 /nfs/dbraw/zinc/08/28/55/326082855.db2.gz QBLXDMWNUFDULR-QGZVFWFLSA-N 1 3 374.529 2.458 20 0 FEADHO C[NH+](C)Cc1ccc(CNC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000118759002 326100947 /nfs/dbraw/zinc/10/09/47/326100947.db2.gz HVFXKQDFSWOAQG-UHFFFAOYSA-N 1 3 359.514 2.400 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000120217494 326241525 /nfs/dbraw/zinc/24/15/25/326241525.db2.gz PZUDKJFCMLWBQA-LPHOPBHVSA-N 1 3 362.518 2.109 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000120217494 326241527 /nfs/dbraw/zinc/24/15/27/326241527.db2.gz PZUDKJFCMLWBQA-LPHOPBHVSA-N 1 3 362.518 2.109 20 0 FEADHO C[C@@H](NC1(CNC(=O)[C@]2(C)CCC[NH2+]C2)CCOCC1)c1ccccc1 ZINC000120362469 326252791 /nfs/dbraw/zinc/25/27/91/326252791.db2.gz ZMQUCAYAGPDLMP-YLJYHZDGSA-N 1 3 359.514 2.392 20 0 FEADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)CN1CCN(C)CC1 ZINC000120876697 326295126 /nfs/dbraw/zinc/29/51/26/326295126.db2.gz RTBSCIQZBXFNOB-OALUTQOASA-N 1 3 362.562 2.161 20 0 FEADHO CC[NH+]1CCN(CCCNC(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000121194582 326320829 /nfs/dbraw/zinc/32/08/29/326320829.db2.gz JJFJNUNBWZZXQP-OAQYLSRUSA-N 1 3 372.557 2.185 20 0 FEADHO CCN1CCN(CCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000122332831 326392779 /nfs/dbraw/zinc/39/27/79/326392779.db2.gz XWUYYSAILDZWBI-UHFFFAOYSA-N 1 3 372.557 2.103 20 0 FEADHO Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CC[C@@H]4[C@H](CCCN4C)C3)c2cc1C ZINC000162799350 327035039 /nfs/dbraw/zinc/03/50/39/327035039.db2.gz VLAHIJOXEFEFGE-WSTZPKSXSA-N 1 3 356.514 2.430 20 0 FEADHO Cc1cc2ncn(C[C@@H](O)C[N@H+]3CC[C@@H]4[C@H](CCCN4C)C3)c2cc1C ZINC000162799350 327035040 /nfs/dbraw/zinc/03/50/40/327035040.db2.gz VLAHIJOXEFEFGE-WSTZPKSXSA-N 1 3 356.514 2.430 20 0 FEADHO Cc1cc2ncn(C[C@@H](O)CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2cc1C ZINC000162799350 327035042 /nfs/dbraw/zinc/03/50/42/327035042.db2.gz VLAHIJOXEFEFGE-WSTZPKSXSA-N 1 3 356.514 2.430 20 0 FEADHO Cc1cc2ncn(C[C@@H](O)CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2cc1C ZINC000162799350 327035043 /nfs/dbraw/zinc/03/50/43/327035043.db2.gz VLAHIJOXEFEFGE-WSTZPKSXSA-N 1 3 356.514 2.430 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H](C)[C@@H]2CCOC2)CC1 ZINC000163066103 327042060 /nfs/dbraw/zinc/04/20/60/327042060.db2.gz IANWFGZGUOXBTH-IEBWSBKVSA-N 1 3 359.514 2.090 20 0 FEADHO CC1CC[NH+](Cc2cccc(CNC(=O)CNC[C@@H]3CCCO3)c2)CC1 ZINC000166420957 327081891 /nfs/dbraw/zinc/08/18/91/327081891.db2.gz VVQPEAPITUHZNZ-FQEVSTJZSA-N 1 3 359.514 2.303 20 0 FEADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc(F)c(F)c(F)c1 ZINC000168919123 327087792 /nfs/dbraw/zinc/08/77/92/327087792.db2.gz MAZJAKPYKYNLEI-AWEZNQCLSA-N 1 3 359.436 2.145 20 0 FEADHO CCN1CCN(CCC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)CC1 ZINC000172746998 327216744 /nfs/dbraw/zinc/21/67/44/327216744.db2.gz RUIZJOYHISTXKV-UHFFFAOYSA-N 1 3 373.545 2.159 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CCCC[N@@H+]3CC)cc2)CC1 ZINC000173310496 327249132 /nfs/dbraw/zinc/24/91/32/327249132.db2.gz KXDRDMVGCNVYBH-HXUWFJFHSA-N 1 3 358.530 2.433 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CCCC[N@H+]3CC)cc2)CC1 ZINC000173310496 327249134 /nfs/dbraw/zinc/24/91/34/327249134.db2.gz KXDRDMVGCNVYBH-HXUWFJFHSA-N 1 3 358.530 2.433 20 0 FEADHO Cc1ccc(OC[C@H](O)CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173948468 327296807 /nfs/dbraw/zinc/29/68/07/327296807.db2.gz PBQNDIUGGWCSKG-LJQANCHMSA-N 1 3 362.514 2.312 20 0 FEADHO C[NH+](C)CCn1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)n1 ZINC000173952382 327297187 /nfs/dbraw/zinc/29/71/87/327297187.db2.gz NANDGSQACKQXRU-SFHVURJKSA-N 1 3 370.501 2.403 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000174163946 327310048 /nfs/dbraw/zinc/31/00/48/327310048.db2.gz UQVIYCJLQRHVLG-QGZVFWFLSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccccc2OCCN(C)C)CC[N@@H+]1C ZINC000174439082 327327122 /nfs/dbraw/zinc/32/71/22/327327122.db2.gz FZIYXGMSSGUQRF-WMZOPIPTSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccccc2OCCN(C)C)CC[N@H+]1C ZINC000174439082 327327124 /nfs/dbraw/zinc/32/71/24/327327124.db2.gz FZIYXGMSSGUQRF-WMZOPIPTSA-N 1 3 362.518 2.251 20 0 FEADHO CCC[C@@](C)(N)C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262172531 328848113 /nfs/dbraw/zinc/84/81/13/328848113.db2.gz XPVHOGSCCVKMIS-PZJWPPBQSA-N 1 3 361.530 2.408 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262458731 328867141 /nfs/dbraw/zinc/86/71/41/328867141.db2.gz WVXBHORSVZIULH-QFBILLFUSA-N 1 3 351.560 2.244 20 0 FEADHO C[C@@H](CC[S@](C)=O)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000268455550 329421879 /nfs/dbraw/zinc/42/18/79/329421879.db2.gz XSHWFNNMKSKIBO-FYSMJZIKSA-N 1 3 351.560 2.464 20 0 FEADHO CC(C)C[C@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000269252144 329500931 /nfs/dbraw/zinc/50/09/31/329500931.db2.gz HTIUEYYCJQUTOY-SFHVURJKSA-N 1 3 351.466 2.159 20 0 FEADHO COc1cc(CNC(=O)CCCCCC[NH3+])ccc1OCCN(C)C ZINC000269267409 329502164 /nfs/dbraw/zinc/50/21/64/329502164.db2.gz ZXIGQGDTZINJBB-UHFFFAOYSA-N 1 3 351.491 2.161 20 0 FEADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1cccc(CO)c1 ZINC000270402488 329597909 /nfs/dbraw/zinc/59/79/09/329597909.db2.gz AHBSUUPRWFVMSM-SFHVURJKSA-N 1 3 354.498 2.437 20 0 FEADHO COCCOCCOCCC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000274697044 329971781 /nfs/dbraw/zinc/97/17/81/329971781.db2.gz WVPZFKNBRCSNLR-GOSISDBHSA-N 1 3 368.518 2.347 20 0 FEADHO C[NH+](C)CCOc1ccccc1CN[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000294194518 330191651 /nfs/dbraw/zinc/19/16/51/330191651.db2.gz KLNBXVVPDAEOKV-DLBZAZTESA-N 1 3 354.516 2.072 20 0 FEADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(OCCO)CCOCC2)CC1 ZINC000367091996 330215908 /nfs/dbraw/zinc/21/59/08/330215908.db2.gz MTUKNXXZILLEAQ-PKOBYXMFSA-N 1 3 354.535 2.177 20 0 FEADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CC2(OCCO)CCOCC2)CC1 ZINC000367091996 330215910 /nfs/dbraw/zinc/21/59/10/330215910.db2.gz MTUKNXXZILLEAQ-PKOBYXMFSA-N 1 3 354.535 2.177 20 0 FEADHO CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000433146684 330273368 /nfs/dbraw/zinc/27/33/68/330273368.db2.gz AUIUZLVHYFPBFE-ROUUACIJSA-N 1 3 360.502 2.022 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)cc2)CC1 ZINC000156567895 545636655 /nfs/dbraw/zinc/63/66/55/545636655.db2.gz IICCTOFRDMGGPY-MJGOQNOKSA-N 1 3 358.530 2.416 20 0 FEADHO COCCOc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCC(C)CC2)cc1 ZINC000158901970 545904538 /nfs/dbraw/zinc/90/45/38/545904538.db2.gz CVQFSIHBBDIJKE-MJGOQNOKSA-N 1 3 350.503 2.455 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000478934758 561178469 /nfs/dbraw/zinc/17/84/69/561178469.db2.gz ZRJCVTLJDTYBGN-RTBURBONSA-N 1 3 374.529 2.395 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000478934758 561178470 /nfs/dbraw/zinc/17/84/70/561178470.db2.gz ZRJCVTLJDTYBGN-RTBURBONSA-N 1 3 374.529 2.395 20 0 FEADHO COCCCN1CCC(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000171196711 546195134 /nfs/dbraw/zinc/19/51/34/546195134.db2.gz RXHYLJMUUYELNJ-GOSISDBHSA-N 1 3 368.566 2.299 20 0 FEADHO COCCCN1CCC(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000171196711 546195137 /nfs/dbraw/zinc/19/51/37/546195137.db2.gz RXHYLJMUUYELNJ-GOSISDBHSA-N 1 3 368.566 2.299 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000479374512 561188313 /nfs/dbraw/zinc/18/83/13/561188313.db2.gz BYSADUQENVBVTK-LPHOPBHVSA-N 1 3 362.518 2.329 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000479374512 561188314 /nfs/dbraw/zinc/18/83/14/561188314.db2.gz BYSADUQENVBVTK-LPHOPBHVSA-N 1 3 362.518 2.329 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCCC[C@@H]3C[NH+](C)C)cc2)CC1 ZINC000172770628 546266933 /nfs/dbraw/zinc/26/69/33/546266933.db2.gz DZYIPOGERRMJCL-HXUWFJFHSA-N 1 3 358.530 2.385 20 0 FEADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000479690698 561195102 /nfs/dbraw/zinc/19/51/02/561195102.db2.gz KLFKGICLYUZMRT-MRXNPFEDSA-N 1 3 362.493 2.160 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000176040344 546394675 /nfs/dbraw/zinc/39/46/75/546394675.db2.gz IFNNHARHUAAVPL-GOSISDBHSA-N 1 3 362.518 2.253 20 0 FEADHO COC(C)(C)C[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176381693 546438970 /nfs/dbraw/zinc/43/89/70/546438970.db2.gz NLVHYCOCXHMPBH-OAHLLOKOSA-N 1 3 354.539 2.048 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000480501671 561210645 /nfs/dbraw/zinc/21/06/45/561210645.db2.gz WARUXEAORMXYEW-XLIONFOSSA-N 1 3 356.514 2.389 20 0 FEADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000480501671 561210646 /nfs/dbraw/zinc/21/06/46/561210646.db2.gz WARUXEAORMXYEW-XLIONFOSSA-N 1 3 356.514 2.389 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000177504836 546633131 /nfs/dbraw/zinc/63/31/31/546633131.db2.gz SPVGICAADITOLI-UYAOXDASSA-N 1 3 358.530 2.431 20 0 FEADHO N[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178688052 546832902 /nfs/dbraw/zinc/83/29/02/546832902.db2.gz HQVXJSCXRBUYMC-OAQYLSRUSA-N 1 3 351.494 2.380 20 0 FEADHO C[NH+](C)[C@@]1(CNC(=O)N2CCN(CC3CCCCC3)CC2)CCSC1 ZINC000481783384 561242123 /nfs/dbraw/zinc/24/21/23/561242123.db2.gz QRFUYOADGQVFSK-LJQANCHMSA-N 1 3 368.591 2.331 20 0 FEADHO C[NH+](C)[C@]1(CNC(=O)N2CCN(CC3CCCCC3)CC2)CCSC1 ZINC000481783383 561242184 /nfs/dbraw/zinc/24/21/84/561242184.db2.gz QRFUYOADGQVFSK-IBGZPJMESA-N 1 3 368.591 2.331 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000180991107 547226446 /nfs/dbraw/zinc/22/64/46/547226446.db2.gz BAYHTUWQIBJNEY-KRWDZBQOSA-N 1 3 366.550 2.190 20 0 FEADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(CO)cc2)CC1 ZINC000182660074 547529200 /nfs/dbraw/zinc/52/92/00/547529200.db2.gz BUWIRTSBFZDSLH-UHFFFAOYSA-N 1 3 361.530 2.239 20 0 FEADHO C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182956240 547578830 /nfs/dbraw/zinc/57/88/30/547578830.db2.gz IAPNDMLQXBGVQB-MOPGFXCFSA-N 1 3 372.557 2.312 20 0 FEADHO C[C@@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1nccs1 ZINC000183315458 547636660 /nfs/dbraw/zinc/63/66/60/547636660.db2.gz WLNFNBOOPOKILW-AWEZNQCLSA-N 1 3 365.547 2.104 20 0 FEADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCN1C(=O)NC(C)(C)C1=O ZINC000184747925 547874195 /nfs/dbraw/zinc/87/41/95/547874195.db2.gz KKUNRDBIASIBJA-HOTGVXAUSA-N 1 3 372.513 2.063 20 0 FEADHO CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@@H](N4CC=CC4)C3)c2)CC1 ZINC000184893344 547895076 /nfs/dbraw/zinc/89/50/76/547895076.db2.gz SGFGPEAHEZDKFD-HXUWFJFHSA-N 1 3 369.513 2.307 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CCN1Cc1ccccc1 ZINC000485817434 561328940 /nfs/dbraw/zinc/32/89/40/561328940.db2.gz PCNDKLMJQLBOLC-BPQIPLTHSA-N 1 3 367.497 2.270 20 0 FEADHO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCCN(CC2CCCCC2)CC1 ZINC000485821281 561329049 /nfs/dbraw/zinc/32/90/49/561329049.db2.gz VANQLZCSEDCBJM-KRWDZBQOSA-N 1 3 359.518 2.215 20 0 FEADHO COCCN1CCC(NC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000195141908 548583753 /nfs/dbraw/zinc/58/37/53/548583753.db2.gz QXNPYYYWDUEDGX-UHFFFAOYSA-N 1 3 354.539 2.051 20 0 FEADHO COCCN1CCC(NC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000195141908 548583755 /nfs/dbraw/zinc/58/37/55/548583755.db2.gz QXNPYYYWDUEDGX-UHFFFAOYSA-N 1 3 354.539 2.051 20 0 FEADHO CC[C@@H]1CN(CC[NH2+]Cc2ccccc2N2CCN(CC)CC2)CCO1 ZINC000487207446 561366042 /nfs/dbraw/zinc/36/60/42/561366042.db2.gz SDDJKWHAEUTREE-HXUWFJFHSA-N 1 3 360.546 2.029 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@]3(C)CCCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000237401819 548824076 /nfs/dbraw/zinc/82/40/76/548824076.db2.gz KQCJBDQHCBEJGX-MBOZVWFJSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000237607133 548838170 /nfs/dbraw/zinc/83/81/70/548838170.db2.gz ATECDNWDCAGOSS-FUHIMQAGSA-N 1 3 351.535 2.114 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000237719582 548846725 /nfs/dbraw/zinc/84/67/25/548846725.db2.gz ATGYZWTUEWKILE-UYAOXDASSA-N 1 3 358.530 2.141 20 0 FEADHO [NH3+][C@H]1CC[C@H](C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000237893296 548861851 /nfs/dbraw/zinc/86/18/51/548861851.db2.gz CREHKYSZWJOLDM-OALUTQOASA-N 1 3 359.514 2.301 20 0 FEADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000245386793 548903097 /nfs/dbraw/zinc/90/30/97/548903097.db2.gz QSONDNZHMHCICX-SQNIBIBYSA-N 1 3 368.566 2.248 20 0 FEADHO C[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)N1[C@H](C)CC[C@H]1C ZINC000245658881 548968834 /nfs/dbraw/zinc/96/88/34/548968834.db2.gz MHIMDPXVLZCWLE-BLYXNJIVSA-N 1 3 362.562 2.017 20 0 FEADHO C[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)N1[C@H](C)CC[C@H]1C ZINC000245658881 548968838 /nfs/dbraw/zinc/96/88/38/548968838.db2.gz MHIMDPXVLZCWLE-BLYXNJIVSA-N 1 3 362.562 2.017 20 0 FEADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@@H](O)COc1ccccc1Cl ZINC000246104914 549053283 /nfs/dbraw/zinc/05/32/83/549053283.db2.gz PBPHITORPOIIDE-QGZVFWFLSA-N 1 3 369.937 2.038 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000246142324 549061819 /nfs/dbraw/zinc/06/18/19/549061819.db2.gz JQDVAHUIDMKDGC-CEXWTWQISA-N 1 3 368.566 2.107 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000246142324 549061821 /nfs/dbraw/zinc/06/18/21/549061821.db2.gz JQDVAHUIDMKDGC-CEXWTWQISA-N 1 3 368.566 2.107 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000246535316 549155748 /nfs/dbraw/zinc/15/57/48/549155748.db2.gz WAIALEPTDRUGMC-RTBURBONSA-N 1 3 368.566 2.107 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000246535316 549155752 /nfs/dbraw/zinc/15/57/52/549155752.db2.gz WAIALEPTDRUGMC-RTBURBONSA-N 1 3 368.566 2.107 20 0 FEADHO CC(C)N1CCC[C@H](N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000248328748 549418943 /nfs/dbraw/zinc/41/89/43/549418943.db2.gz CWQJBNFHRASCGN-SCTDSRPQSA-N 1 3 351.535 2.207 20 0 FEADHO CC(C)N1CCC[C@H](N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000248328748 549418945 /nfs/dbraw/zinc/41/89/45/549418945.db2.gz CWQJBNFHRASCGN-SCTDSRPQSA-N 1 3 351.535 2.207 20 0 FEADHO CC[NH+]1CCC(CCNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000489342416 561408627 /nfs/dbraw/zinc/40/86/27/561408627.db2.gz XAUZJZCVDLPVGZ-ZIFCJYIRSA-N 1 3 350.551 2.480 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000248707244 549488655 /nfs/dbraw/zinc/48/86/55/549488655.db2.gz AYIZTPZUDRRJRB-VQTJNVASSA-N 1 3 354.498 2.164 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000248707244 549488656 /nfs/dbraw/zinc/48/86/56/549488656.db2.gz AYIZTPZUDRRJRB-VQTJNVASSA-N 1 3 354.498 2.164 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000248856954 549515118 /nfs/dbraw/zinc/51/51/18/549515118.db2.gz PJXZGEBIIYNWIK-YZGWKJHDSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000248875751 549519124 /nfs/dbraw/zinc/51/91/24/549519124.db2.gz RAMJDTLWUFCCIN-JRGCBEDISA-N 1 3 371.525 2.267 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000248875751 549519127 /nfs/dbraw/zinc/51/91/27/549519127.db2.gz RAMJDTLWUFCCIN-JRGCBEDISA-N 1 3 371.525 2.267 20 0 FEADHO CCN1CCCN(c2nc(C)c(C)nc2N2CCC[N@H+](CC)CC2)CC1 ZINC000489556694 561414213 /nfs/dbraw/zinc/41/42/13/561414213.db2.gz WVUSZQXLWKVGDP-UHFFFAOYSA-N 1 3 360.550 2.157 20 0 FEADHO CCN1CCCN(c2nc(C)c(C)nc2N2CCC[N@@H+](CC)CC2)CC1 ZINC000489556694 561414214 /nfs/dbraw/zinc/41/42/14/561414214.db2.gz WVUSZQXLWKVGDP-UHFFFAOYSA-N 1 3 360.550 2.157 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000249298833 549579258 /nfs/dbraw/zinc/57/92/58/549579258.db2.gz NRJBFQXAVSLAQU-AZUAARDMSA-N 1 3 360.546 2.069 20 0 FEADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000261668534 549740586 /nfs/dbraw/zinc/74/05/86/549740586.db2.gz AAOBKDVOUNUVRR-FQEVSTJZSA-N 1 3 359.514 2.111 20 0 FEADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000261668534 549740589 /nfs/dbraw/zinc/74/05/89/549740589.db2.gz AAOBKDVOUNUVRR-FQEVSTJZSA-N 1 3 359.514 2.111 20 0 FEADHO O=C1C[C@H](N[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CN1c1ccccc1Cl ZINC000261900555 549767952 /nfs/dbraw/zinc/76/79/52/549767952.db2.gz HQQRRVPSTOZCHQ-ABFRBSLYSA-N 1 3 363.889 2.192 20 0 FEADHO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1(C)C ZINC000262753211 549845878 /nfs/dbraw/zinc/84/58/78/549845878.db2.gz AJOVIEXWLJJZQT-PGRDOPGGSA-N 1 3 373.541 2.472 20 0 FEADHO CC(C)c1ccc([C@@H](N)CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000262799043 549851266 /nfs/dbraw/zinc/85/12/66/549851266.db2.gz NTKHNUJPKYEKEB-ROUUACIJSA-N 1 3 355.486 2.361 20 0 FEADHO CO[C@@H](C[NH3+])CC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000262992163 549868950 /nfs/dbraw/zinc/86/89/50/549868950.db2.gz ZZKTYOCLTSZGPS-LJQANCHMSA-N 1 3 359.514 2.398 20 0 FEADHO CC(C)N1CCCN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000263960149 549960472 /nfs/dbraw/zinc/96/04/72/549960472.db2.gz QAAGMCKGGIOEAF-UHFFFAOYSA-N 1 3 362.518 2.253 20 0 FEADHO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)CC1 ZINC000268864490 550124855 /nfs/dbraw/zinc/12/48/55/550124855.db2.gz SKQKZNYMFMRMTI-FUHIMQAGSA-N 1 3 358.530 2.173 20 0 FEADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CNC[C@H]1CCCO1 ZINC000269249068 550172446 /nfs/dbraw/zinc/17/24/46/550172446.db2.gz WPLLYBKXCORQSF-FXAWDEMLSA-N 1 3 359.514 2.446 20 0 FEADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CNC[C@H]1CCCO1 ZINC000269249068 550172447 /nfs/dbraw/zinc/17/24/47/550172447.db2.gz WPLLYBKXCORQSF-FXAWDEMLSA-N 1 3 359.514 2.446 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CNC[C@H]1CCCO1 ZINC000269249070 550172464 /nfs/dbraw/zinc/17/24/64/550172464.db2.gz WPLLYBKXCORQSF-YLJYHZDGSA-N 1 3 359.514 2.446 20 0 FEADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CNC[C@H]1CCCO1 ZINC000269249070 550172465 /nfs/dbraw/zinc/17/24/65/550172465.db2.gz WPLLYBKXCORQSF-YLJYHZDGSA-N 1 3 359.514 2.446 20 0 FEADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CNC[C@@H]3CCCO3)cc2)C1 ZINC000269277207 550175894 /nfs/dbraw/zinc/17/58/94/550175894.db2.gz XUDUTTLZTVGDIB-LPHOPBHVSA-N 1 3 361.486 2.114 20 0 FEADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CNC[C@@H]3CCCO3)cc2)C1 ZINC000269277207 550175896 /nfs/dbraw/zinc/17/58/96/550175896.db2.gz XUDUTTLZTVGDIB-LPHOPBHVSA-N 1 3 361.486 2.114 20 0 FEADHO CN(CCOCC[N@H+](C)[C@@H](CO)c1ccccc1)[C@@H](CO)c1ccccc1 ZINC000269605896 550209978 /nfs/dbraw/zinc/20/99/78/550209978.db2.gz QOUSDBJJDQQXCJ-VXKWHMMOSA-N 1 3 372.509 2.334 20 0 FEADHO CN(CCOCC[N@@H+](C)[C@@H](CO)c1ccccc1)[C@@H](CO)c1ccccc1 ZINC000269605896 550209979 /nfs/dbraw/zinc/20/99/79/550209979.db2.gz QOUSDBJJDQQXCJ-VXKWHMMOSA-N 1 3 372.509 2.334 20 0 FEADHO C[C@H](Cn1cccn1)NCc1ccccc1C[NH2+][C@H](C)Cn1cccn1 ZINC000270695321 550297878 /nfs/dbraw/zinc/29/78/78/550297878.db2.gz DHXXYDYTEABIOO-QZTJIDSGSA-N 1 3 352.486 2.436 20 0 FEADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000271527597 550382673 /nfs/dbraw/zinc/38/26/73/550382673.db2.gz QMQIDGYERWBPHT-JVPBZIDWSA-N 1 3 366.527 2.119 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@]2(C)CCO[C@H]2C)CC1 ZINC000494233264 561465324 /nfs/dbraw/zinc/46/53/24/561465324.db2.gz HHPIKYKJGSTYTQ-GHTZIAJQSA-N 1 3 359.514 2.186 20 0 FEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cncc(Br)c1 ZINC000271676049 550394424 /nfs/dbraw/zinc/39/44/24/550394424.db2.gz JCLUXIVWCNDKCQ-UHFFFAOYSA-N 1 3 355.324 2.302 20 0 FEADHO Cc1cccc(N2CCN(CCCNC(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)c1 ZINC000494289196 561466639 /nfs/dbraw/zinc/46/66/39/561466639.db2.gz ZCJROQFSWPMGGK-OAQYLSRUSA-N 1 3 370.541 2.250 20 0 FEADHO Cc1cccc(N2CCN(CCCNC(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)c1 ZINC000494289196 561466640 /nfs/dbraw/zinc/46/66/40/561466640.db2.gz ZCJROQFSWPMGGK-OAQYLSRUSA-N 1 3 370.541 2.250 20 0 FEADHO CCN1CCN(Cc2ccc(NC(=O)CC3CC[NH+](C)CC3)cc2)CC1 ZINC000273259908 550491806 /nfs/dbraw/zinc/49/18/06/550491806.db2.gz SWMUUGBCBVLXMV-UHFFFAOYSA-N 1 3 358.530 2.495 20 0 FEADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)CN1CCN(C)CC1 ZINC000274950327 550566985 /nfs/dbraw/zinc/56/69/85/550566985.db2.gz VAKKBUHBYJOHSM-URVUXULASA-N 1 3 358.574 2.370 20 0 FEADHO C[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1(F)F ZINC000494835897 561477451 /nfs/dbraw/zinc/47/74/51/561477451.db2.gz KXCSRIZXVUQAJP-AWEZNQCLSA-N 1 3 358.477 2.232 20 0 FEADHO CN(C(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)[C@H]1CCCN(C)C1 ZINC000277619613 550692772 /nfs/dbraw/zinc/69/27/72/550692772.db2.gz IKPLIESAIVOPOR-SFHVURJKSA-N 1 3 369.513 2.278 20 0 FEADHO C[C@H](NC(C)(C)CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000278651483 550808291 /nfs/dbraw/zinc/80/82/91/550808291.db2.gz AMFULXIZAZRZNK-GOEBONIOSA-N 1 3 355.486 2.346 20 0 FEADHO CCOC(=O)c1oc2c(c1C)[C@@H](NCC1(O)CC[NH+](C)CC1)CCC2 ZINC000278699026 550812793 /nfs/dbraw/zinc/81/27/93/550812793.db2.gz KVGIJHPYDPNDOG-AWEZNQCLSA-N 1 3 350.459 2.188 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278997756 550844767 /nfs/dbraw/zinc/84/47/67/550844767.db2.gz LYHBROGFPKGPHP-CABCVRRESA-N 1 3 373.526 2.190 20 0 FEADHO CC[C@@]1(O)CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000495232567 561485154 /nfs/dbraw/zinc/48/51/54/561485154.db2.gz MAUBZZZMTLSBIO-LAUBAEHRSA-N 1 3 359.514 2.003 20 0 FEADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(N2CCOCC2)c1 ZINC000282512415 551240017 /nfs/dbraw/zinc/24/00/17/551240017.db2.gz ZCKAMXRPEDNKSP-GOSISDBHSA-N 1 3 360.546 2.200 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)N(C)CCN3CCCC3)CCCC2)CC1 ZINC000497719088 561507038 /nfs/dbraw/zinc/50/70/38/561507038.db2.gz GXXJQDKZYRZJSM-UHFFFAOYSA-N 1 3 366.550 2.147 20 0 FEADHO C[C@H](N[C@H](CO)C[C@@H](O)C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000284339839 551527599 /nfs/dbraw/zinc/52/75/99/551527599.db2.gz MSYKEJKJDZRLFB-VDZJLULYSA-N 1 3 352.519 2.436 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)C34CCC[NH+]3CCC4)cc2)CC1 ZINC000285660677 551791066 /nfs/dbraw/zinc/79/10/66/551791066.db2.gz HQGZYBGWMDIDPJ-UHFFFAOYSA-N 1 3 357.498 2.404 20 0 FEADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1OCCN(C)C ZINC000287062970 551958465 /nfs/dbraw/zinc/95/84/65/551958465.db2.gz AYXGZJGIELIIDP-IEBWSBKVSA-N 1 3 374.529 2.395 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287257218 551982062 /nfs/dbraw/zinc/98/20/62/551982062.db2.gz PWQNPBHORFHPKM-DFNIBXOVSA-N 1 3 374.529 2.394 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287257218 551982063 /nfs/dbraw/zinc/98/20/63/551982063.db2.gz PWQNPBHORFHPKM-DFNIBXOVSA-N 1 3 374.529 2.394 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000287712492 552037145 /nfs/dbraw/zinc/03/71/45/552037145.db2.gz VBFGHDOEASKSAH-HNAYVOBHSA-N 1 3 360.502 2.081 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000287712492 552037148 /nfs/dbraw/zinc/03/71/48/552037148.db2.gz VBFGHDOEASKSAH-HNAYVOBHSA-N 1 3 360.502 2.081 20 0 FEADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000287738908 552040614 /nfs/dbraw/zinc/04/06/14/552040614.db2.gz PNWWHZIYCODTKG-BBWFWOEESA-N 1 3 358.404 2.453 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000288218816 552112912 /nfs/dbraw/zinc/11/29/12/552112912.db2.gz PFNPZTIYSBGQDZ-BEFAXECRSA-N 1 3 360.502 2.248 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000288218816 552112915 /nfs/dbraw/zinc/11/29/15/552112915.db2.gz PFNPZTIYSBGQDZ-BEFAXECRSA-N 1 3 360.502 2.248 20 0 FEADHO CC[C@@H]1CN(CCc2cncn2C)[C@@H](CC)C[N@@H+]1CCc1cncn1C ZINC000290124062 552430641 /nfs/dbraw/zinc/43/06/41/552430641.db2.gz UJHAPWQPRXUQRL-HDICACEKSA-N 1 3 358.534 2.114 20 0 FEADHO CC[C@@H]1CN(CCc2cncn2C)[C@@H](CC)C[N@H+]1CCc1cncn1C ZINC000290124062 552430644 /nfs/dbraw/zinc/43/06/44/552430644.db2.gz UJHAPWQPRXUQRL-HDICACEKSA-N 1 3 358.534 2.114 20 0 FEADHO CC[C@@H]1C[N@H+](CCc2cncn2C)[C@@H](CC)CN1CCc1cncn1C ZINC000290124062 552430648 /nfs/dbraw/zinc/43/06/48/552430648.db2.gz UJHAPWQPRXUQRL-HDICACEKSA-N 1 3 358.534 2.114 20 0 FEADHO CC[C@@H]1C[N@@H+](CCc2cncn2C)[C@@H](CC)CN1CCc1cncn1C ZINC000290124062 552430650 /nfs/dbraw/zinc/43/06/50/552430650.db2.gz UJHAPWQPRXUQRL-HDICACEKSA-N 1 3 358.534 2.114 20 0 FEADHO CC(C)[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)N1CCCCC1 ZINC000501145962 561591297 /nfs/dbraw/zinc/59/12/97/561591297.db2.gz ZOWFBYGYCVTKGZ-PMACEKPBSA-N 1 3 364.578 2.125 20 0 FEADHO CC(C)[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)N1CCCCC1 ZINC000501145962 561591298 /nfs/dbraw/zinc/59/12/98/561591298.db2.gz ZOWFBYGYCVTKGZ-PMACEKPBSA-N 1 3 364.578 2.125 20 0 FEADHO C[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000292117084 552695525 /nfs/dbraw/zinc/69/55/25/552695525.db2.gz HLXBODITWMSXRW-WIYYLYMNSA-N 1 3 372.557 2.212 20 0 FEADHO C[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@H+](C2CCC2)C1 ZINC000292117084 552695527 /nfs/dbraw/zinc/69/55/27/552695527.db2.gz HLXBODITWMSXRW-WIYYLYMNSA-N 1 3 372.557 2.212 20 0 FEADHO CC[N@H+](CC[C@@H]1CCCN1C)C[C@H](O)COc1ccc(CCOC)cc1 ZINC000292954209 552774423 /nfs/dbraw/zinc/77/44/23/552774423.db2.gz KUSVWIULYCUTMB-PMACEKPBSA-N 1 3 364.530 2.421 20 0 FEADHO CC[N@@H+](CC[C@@H]1CCCN1C)C[C@H](O)COc1ccc(CCOC)cc1 ZINC000292954209 552774424 /nfs/dbraw/zinc/77/44/24/552774424.db2.gz KUSVWIULYCUTMB-PMACEKPBSA-N 1 3 364.530 2.421 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000295010323 552951220 /nfs/dbraw/zinc/95/12/20/552951220.db2.gz MBIGDWYQKULPAN-DXJOGWAWSA-N 1 3 359.470 2.405 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000295010323 552951221 /nfs/dbraw/zinc/95/12/21/552951221.db2.gz MBIGDWYQKULPAN-DXJOGWAWSA-N 1 3 359.470 2.405 20 0 FEADHO COc1ccc([C@H](C[NH+](C)C)NC(=O)NCCN2CC=C(C)CC2)cc1 ZINC000501943025 561608514 /nfs/dbraw/zinc/60/85/14/561608514.db2.gz ZTMRPDWCXZNDOO-IBGZPJMESA-N 1 3 360.502 2.249 20 0 FEADHO C[C@@H]([NH2+][C@H]1CCOC1(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000295341194 552990588 /nfs/dbraw/zinc/99/05/88/552990588.db2.gz XYEYCPVVXHETHR-APWZRJJASA-N 1 3 359.514 2.313 20 0 FEADHO CN(C)CCN(C)CCC[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000298670201 553456984 /nfs/dbraw/zinc/45/69/84/553456984.db2.gz YKWOCAJUCVRPQG-UHFFFAOYSA-N 1 3 354.926 2.484 20 0 FEADHO CN(C)CCN(C)CCC[N@@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000298670201 553456985 /nfs/dbraw/zinc/45/69/85/553456985.db2.gz YKWOCAJUCVRPQG-UHFFFAOYSA-N 1 3 354.926 2.484 20 0 FEADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Br)cc1 ZINC000314388354 553758964 /nfs/dbraw/zinc/75/89/64/553758964.db2.gz VIUAYQHHYZTELH-BETUJISGSA-N 1 3 352.276 2.319 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1c(C)noc1Cl ZINC000505720245 561678356 /nfs/dbraw/zinc/67/83/56/561678356.db2.gz RETZQDWHLQCGMI-HNNXBMFYSA-N 1 3 370.925 2.444 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1c(C)noc1Cl ZINC000505720245 561678358 /nfs/dbraw/zinc/67/83/58/561678358.db2.gz RETZQDWHLQCGMI-HNNXBMFYSA-N 1 3 370.925 2.444 20 0 FEADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](N(C2CCC2)S(C)(=O)=O)CC1 ZINC000328626296 553798342 /nfs/dbraw/zinc/79/83/42/553798342.db2.gz DZTHVHZFAHNOKL-FUHWJXTLSA-N 1 3 357.564 2.139 20 0 FEADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](N(C2CCC2)S(C)(=O)=O)CC1 ZINC000328626296 553798343 /nfs/dbraw/zinc/79/83/43/553798343.db2.gz DZTHVHZFAHNOKL-FUHWJXTLSA-N 1 3 357.564 2.139 20 0 FEADHO C[C@@H]1NC(=O)N(CCN(C)C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000331849804 554330765 /nfs/dbraw/zinc/33/07/65/554330765.db2.gz CETDJVSTROEGQK-ULQDDVLXSA-N 1 3 372.513 2.015 20 0 FEADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000333119113 554575061 /nfs/dbraw/zinc/57/50/61/554575061.db2.gz AICYLKZXVGDDBV-JKSUJKDBSA-N 1 3 354.564 2.035 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCC3CCN(c4ccncc4)CC3)C[C@H]21 ZINC000333571729 554624665 /nfs/dbraw/zinc/62/46/65/554624665.db2.gz MNAMEHRBHMCTIS-QXAKKESOSA-N 1 3 357.502 2.067 20 0 FEADHO Cc1ccc(NC(=O)NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)c1 ZINC000333599567 554626520 /nfs/dbraw/zinc/62/65/20/554626520.db2.gz QEYPRPIDAFGYNI-MRXNPFEDSA-N 1 3 358.486 2.416 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000333616818 554627885 /nfs/dbraw/zinc/62/78/85/554627885.db2.gz RDZVKAQHZPXUQX-RBUKOAKNSA-N 1 3 371.529 2.329 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C[C@H]21 ZINC000333940332 554658445 /nfs/dbraw/zinc/65/84/45/554658445.db2.gz NYZRCNYQHREPFN-IYWMVGAKSA-N 1 3 356.514 2.420 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)cc2)CC1 ZINC000511317763 561865011 /nfs/dbraw/zinc/86/50/11/561865011.db2.gz ZTHVGOPSFDFGMP-KRWDZBQOSA-N 1 3 356.514 2.209 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)cc2)CC1 ZINC000511317763 561865013 /nfs/dbraw/zinc/86/50/13/561865013.db2.gz ZTHVGOPSFDFGMP-KRWDZBQOSA-N 1 3 356.514 2.209 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000360535958 554878917 /nfs/dbraw/zinc/87/89/17/554878917.db2.gz HIOGULQKYSGJAF-LSTHTHJFSA-N 1 3 359.514 2.367 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000360535958 554878919 /nfs/dbraw/zinc/87/89/19/554878919.db2.gz HIOGULQKYSGJAF-LSTHTHJFSA-N 1 3 359.514 2.367 20 0 FEADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000360616987 554882358 /nfs/dbraw/zinc/88/23/58/554882358.db2.gz DVEIGYNGRDWEPM-XUVXKRRUSA-N 1 3 353.466 2.347 20 0 FEADHO C[C@H]1CN(CCC(=O)Nc2cccc(F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362703949 554982194 /nfs/dbraw/zinc/98/21/94/554982194.db2.gz RXVZDYKOXGOPEI-QFBILLFUSA-N 1 3 362.493 2.112 20 0 FEADHO C[C@@H](CC[NH+](C)C)NC(=O)N(C)C1CCN(CCc2ccncc2)CC1 ZINC000362911651 554998492 /nfs/dbraw/zinc/99/84/92/554998492.db2.gz UJTCELKYWQHAFC-KRWDZBQOSA-N 1 3 361.534 2.070 20 0 FEADHO CC(C)[NH+](CCNC(=O)N[C@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)C(C)C ZINC000363539760 555131863 /nfs/dbraw/zinc/13/18/63/555131863.db2.gz OPMPFHOPHMCADG-QYZOEREBSA-N 1 3 368.566 2.294 20 0 FEADHO [NH3+]CCOc1ccc(NC(=O)C2CCN(Cc3cccnc3)CC2)cc1 ZINC000363668551 555160181 /nfs/dbraw/zinc/16/01/81/555160181.db2.gz GCWLQJZZAWQMRT-UHFFFAOYSA-N 1 3 354.454 2.270 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)cc1 ZINC000364981451 555456546 /nfs/dbraw/zinc/45/65/46/555456546.db2.gz JZAWNSXDDOMDFP-IEBWSBKVSA-N 1 3 372.513 2.020 20 0 FEADHO CN1CCC(N2CC[C@@H]([N@H+](C)CC3CCC4(CC3)OCCO4)C2)CC1 ZINC000365190589 555506174 /nfs/dbraw/zinc/50/61/74/555506174.db2.gz BSQHJSPNFGSWSX-LJQANCHMSA-N 1 3 351.535 2.020 20 0 FEADHO CN1CCC(N2CC[C@@H]([N@@H+](C)CC3CCC4(CC3)OCCO4)C2)CC1 ZINC000365190589 555506175 /nfs/dbraw/zinc/50/61/75/555506175.db2.gz BSQHJSPNFGSWSX-LJQANCHMSA-N 1 3 351.535 2.020 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000365458017 555580810 /nfs/dbraw/zinc/58/08/10/555580810.db2.gz VJWKRYROUSYIOZ-MSOLQXFVSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000365458017 555580812 /nfs/dbraw/zinc/58/08/12/555580812.db2.gz VJWKRYROUSYIOZ-MSOLQXFVSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCCO1 ZINC000365493267 555589922 /nfs/dbraw/zinc/58/99/22/555589922.db2.gz AMKDVSFNQWZHNY-OALUTQOASA-N 1 3 366.550 2.147 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[N@@H+]1CCC[C@H](C)C1 ZINC000365872697 555688809 /nfs/dbraw/zinc/68/88/09/555688809.db2.gz ATNZPMRPHUZQBZ-RCCFBDPRSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[N@H+]1CCC[C@H](C)C1 ZINC000365872697 555688813 /nfs/dbraw/zinc/68/88/13/555688813.db2.gz ATNZPMRPHUZQBZ-RCCFBDPRSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)CN1C1CC1 ZINC000365919006 555701428 /nfs/dbraw/zinc/70/14/28/555701428.db2.gz IEJABHKXSOXFMB-HZPDHXFCSA-N 1 3 357.502 2.317 20 0 FEADHO C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@@H](N)c1ccccc1 ZINC000366322040 555811631 /nfs/dbraw/zinc/81/16/31/555811631.db2.gz IEVISXUQXNGWJH-UYAOXDASSA-N 1 3 372.557 2.389 20 0 FEADHO C[C@H](CC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)C1CC[NH2+]CC1 ZINC000366325946 555812987 /nfs/dbraw/zinc/81/29/87/555812987.db2.gz QBWAKOINLNBQIW-MJGOQNOKSA-N 1 3 358.530 2.436 20 0 FEADHO C[NH+](C)CCCOc1ccc(CNC(=O)C2(N)Cc3ccccc3C2)cc1 ZINC000366334940 555814767 /nfs/dbraw/zinc/81/47/67/555814767.db2.gz RYUMSRWSPGFROW-UHFFFAOYSA-N 1 3 367.493 2.130 20 0 FEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000367298103 556011329 /nfs/dbraw/zinc/01/13/29/556011329.db2.gz IBYSOYPHWIELCQ-LJQANCHMSA-N 1 3 372.557 2.107 20 0 FEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000367298103 556011332 /nfs/dbraw/zinc/01/13/32/556011332.db2.gz IBYSOYPHWIELCQ-LJQANCHMSA-N 1 3 372.557 2.107 20 0 FEADHO C[C@@H]1C[C@H](CNC(=O)N2CCN3CCC2CC3)C[N@@H+]1Cc1ccccc1 ZINC000367409958 556041088 /nfs/dbraw/zinc/04/10/88/556041088.db2.gz KRHLKOJZSSIHKI-IEBWSBKVSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1C[C@H](CNC(=O)N2CCN3CCC2CC3)C[N@H+]1Cc1ccccc1 ZINC000367409958 556041092 /nfs/dbraw/zinc/04/10/92/556041092.db2.gz KRHLKOJZSSIHKI-IEBWSBKVSA-N 1 3 356.514 2.387 20 0 FEADHO CN1CC[C@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)[C@@H]2CCC[C@@H]21 ZINC000367613064 556097144 /nfs/dbraw/zinc/09/71/44/556097144.db2.gz FCTYJRUFOYPIGD-FHWLQOOXSA-N 1 3 363.527 2.189 20 0 FEADHO CN1CC[C@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)[C@H]2CCC[C@H]21 ZINC000367613062 556097168 /nfs/dbraw/zinc/09/71/68/556097168.db2.gz FCTYJRUFOYPIGD-CEXWTWQISA-N 1 3 363.527 2.189 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000514904847 561985726 /nfs/dbraw/zinc/98/57/26/561985726.db2.gz WBAKQDRBERGLTA-NHCUHLMSSA-N 1 3 373.541 2.311 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC000368470633 556319594 /nfs/dbraw/zinc/31/95/94/556319594.db2.gz MXTPRMOYAZUQME-KRWDZBQOSA-N 1 3 366.550 2.146 20 0 FEADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000368482521 556323013 /nfs/dbraw/zinc/32/30/13/556323013.db2.gz KNSDJVGOOMLDGL-OYNPSCLESA-N 1 3 371.525 2.332 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000368839684 556426080 /nfs/dbraw/zinc/42/60/80/556426080.db2.gz XSCHBLIBKKJSDW-IBGZPJMESA-N 1 3 373.545 2.120 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000368839684 556426082 /nfs/dbraw/zinc/42/60/82/556426082.db2.gz XSCHBLIBKKJSDW-IBGZPJMESA-N 1 3 373.545 2.120 20 0 FEADHO CN(c1ccccc1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000368964471 556460967 /nfs/dbraw/zinc/46/09/67/556460967.db2.gz OWKQVNFLIAQXJU-NBHGPNQESA-N 1 3 370.541 2.303 20 0 FEADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369219377 556539293 /nfs/dbraw/zinc/53/92/93/556539293.db2.gz DMLFSTMWVMELPB-ICSRJNTNSA-N 1 3 373.545 2.325 20 0 FEADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369219377 556539295 /nfs/dbraw/zinc/53/92/95/556539295.db2.gz DMLFSTMWVMELPB-ICSRJNTNSA-N 1 3 373.545 2.325 20 0 FEADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cc1 ZINC000369356205 556578095 /nfs/dbraw/zinc/57/80/95/556578095.db2.gz VOWGEBFVQIDHDE-OAQYLSRUSA-N 1 3 372.557 2.380 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369395408 556589616 /nfs/dbraw/zinc/58/96/16/556589616.db2.gz MLEIGNSQUIDLHN-AKHDSKFASA-N 1 3 366.550 2.049 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369395408 556589619 /nfs/dbraw/zinc/58/96/19/556589619.db2.gz MLEIGNSQUIDLHN-AKHDSKFASA-N 1 3 366.550 2.049 20 0 FEADHO C[C@@H](CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)N1CCC(C)CC1 ZINC000369531225 556622827 /nfs/dbraw/zinc/62/28/27/556622827.db2.gz LOOMMIBIPNZCKV-SFHVURJKSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H](CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1)N1CCC(C)CC1 ZINC000369531225 556622829 /nfs/dbraw/zinc/62/28/29/556622829.db2.gz LOOMMIBIPNZCKV-SFHVURJKSA-N 1 3 366.550 2.003 20 0 FEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369660185 556661578 /nfs/dbraw/zinc/66/15/78/556661578.db2.gz GPJRXPVVBFULRH-YDZRNGNQSA-N 1 3 351.535 2.255 20 0 FEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369660185 556661580 /nfs/dbraw/zinc/66/15/80/556661580.db2.gz GPJRXPVVBFULRH-YDZRNGNQSA-N 1 3 351.535 2.255 20 0 FEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCCN(CCCOC)CC1 ZINC000369659766 556661616 /nfs/dbraw/zinc/66/16/16/556661616.db2.gz XEWSFUAOPVSLSS-GOSISDBHSA-N 1 3 354.539 2.005 20 0 FEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCCN(CCCOC)CC1 ZINC000369659766 556661617 /nfs/dbraw/zinc/66/16/17/556661617.db2.gz XEWSFUAOPVSLSS-GOSISDBHSA-N 1 3 354.539 2.005 20 0 FEADHO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000370120781 556786681 /nfs/dbraw/zinc/78/66/81/556786681.db2.gz KBEGXHXPGLEATP-QZTJIDSGSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000370120781 556786682 /nfs/dbraw/zinc/78/66/82/556786682.db2.gz KBEGXHXPGLEATP-QZTJIDSGSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000370173799 556802061 /nfs/dbraw/zinc/80/20/61/556802061.db2.gz GCGACPMQBBOBSX-KURKYZTESA-N 1 3 368.566 2.248 20 0 FEADHO COCCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370703924 556944806 /nfs/dbraw/zinc/94/48/06/556944806.db2.gz VMBAVHPVEWGRAJ-RXVVDRJESA-N 1 3 361.530 2.170 20 0 FEADHO COCCOc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370703924 556944808 /nfs/dbraw/zinc/94/48/08/556944808.db2.gz VMBAVHPVEWGRAJ-RXVVDRJESA-N 1 3 361.530 2.170 20 0 FEADHO COCCCN1CCCN(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000370846909 556988886 /nfs/dbraw/zinc/98/88/86/556988886.db2.gz OXLFUSRDISQFGV-IBGZPJMESA-N 1 3 368.566 2.108 20 0 FEADHO COCCCN1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000370846909 556988888 /nfs/dbraw/zinc/98/88/88/556988888.db2.gz OXLFUSRDISQFGV-IBGZPJMESA-N 1 3 368.566 2.108 20 0 FEADHO CCCNC(=O)[C@@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371150721 557089980 /nfs/dbraw/zinc/08/99/80/557089980.db2.gz HNZITQDDVFJZNN-QGZVFWFLSA-N 1 3 352.567 2.029 20 0 FEADHO C[C@H]1CN(CCC(=O)Nc2ccc(F)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371336275 557151279 /nfs/dbraw/zinc/15/12/79/557151279.db2.gz OPAJWUPXGIAJJG-QFBILLFUSA-N 1 3 362.493 2.112 20 0 FEADHO C[C@H](C[C@H](C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)NC(=O)OC(C)(C)C ZINC000371336675 557152011 /nfs/dbraw/zinc/15/20/11/557152011.db2.gz QIDVJLTZRNWGPF-BBWFWOEESA-N 1 3 368.566 2.436 20 0 FEADHO C[C@H](N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000517942382 562101211 /nfs/dbraw/zinc/10/12/11/562101211.db2.gz ILCHQVZSPHWTOC-DCXXXQMHSA-N 1 3 372.557 2.132 20 0 FEADHO CC[C@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CCN1Cc1ccccc1 ZINC000518371708 562109956 /nfs/dbraw/zinc/10/99/56/562109956.db2.gz GUQJFZRQVAHVPR-ROUUACIJSA-N 1 3 367.497 2.223 20 0 FEADHO C[N@@H+]1CC[C@H](CNC(=O)C2(N)Cc3ccccc3C2)[C@@H]1c1cccs1 ZINC000372099275 557379697 /nfs/dbraw/zinc/37/96/97/557379697.db2.gz SOMSFGMPDXACKS-SJLPKXTDSA-N 1 3 355.507 2.353 20 0 FEADHO C[N@H+]1CC[C@H](CNC(=O)C2(N)Cc3ccccc3C2)[C@@H]1c1cccs1 ZINC000372099275 557379700 /nfs/dbraw/zinc/37/97/00/557379700.db2.gz SOMSFGMPDXACKS-SJLPKXTDSA-N 1 3 355.507 2.353 20 0 FEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000372542569 557498463 /nfs/dbraw/zinc/49/84/63/557498463.db2.gz CYYGETHQXINXTC-HOJAQTOUSA-N 1 3 373.545 2.494 20 0 FEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000372542569 557498464 /nfs/dbraw/zinc/49/84/64/557498464.db2.gz CYYGETHQXINXTC-HOJAQTOUSA-N 1 3 373.545 2.494 20 0 FEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000372543562 557498777 /nfs/dbraw/zinc/49/87/77/557498777.db2.gz IEZAONWSTKZIMS-IHPCNDPISA-N 1 3 373.545 2.352 20 0 FEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000372543562 557498778 /nfs/dbraw/zinc/49/87/78/557498778.db2.gz IEZAONWSTKZIMS-IHPCNDPISA-N 1 3 373.545 2.352 20 0 FEADHO Cc1ccc(C[NH+]2CCC(CNC(=O)c3[nH]nc4c3CNCC4)CC2)cc1 ZINC000372567828 557507136 /nfs/dbraw/zinc/50/71/36/557507136.db2.gz GDZDRIVMWOMHPT-UHFFFAOYSA-N 1 3 367.497 2.006 20 0 FEADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000372921610 557588873 /nfs/dbraw/zinc/58/88/73/557588873.db2.gz GCPBVVHHSZDAMD-IBGZPJMESA-N 1 3 373.545 2.419 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000519591127 562136143 /nfs/dbraw/zinc/13/61/43/562136143.db2.gz IYXNYECVFNXSKJ-GDAAHCPNSA-N 1 3 351.535 2.384 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCCO1 ZINC000373038681 557614644 /nfs/dbraw/zinc/61/46/44/557614644.db2.gz VYQYVICNECMRGY-OALUTQOASA-N 1 3 366.550 2.147 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H]3CCN(C)[C@H]3C2)C1 ZINC000373184594 557646402 /nfs/dbraw/zinc/64/64/02/557646402.db2.gz FIBKSWDKZNLJLW-HCXYKTFWSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H]3CCN(C)[C@H]3C2)C1 ZINC000373184594 557646404 /nfs/dbraw/zinc/64/64/04/557646404.db2.gz FIBKSWDKZNLJLW-HCXYKTFWSA-N 1 3 350.551 2.480 20 0 FEADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000373187498 557646813 /nfs/dbraw/zinc/64/68/13/557646813.db2.gz VSUJZEHOWQAWLT-HKUYNNGSSA-N 1 3 363.550 2.164 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000373495380 557704628 /nfs/dbraw/zinc/70/46/28/557704628.db2.gz OXNZEHOXGFXGBA-YOEHRIQHSA-N 1 3 350.532 2.477 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000373495380 557704629 /nfs/dbraw/zinc/70/46/29/557704629.db2.gz OXNZEHOXGFXGBA-YOEHRIQHSA-N 1 3 350.532 2.477 20 0 FEADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCc1ccc(OC(F)F)cc1 ZINC000520408472 562155859 /nfs/dbraw/zinc/15/58/59/562155859.db2.gz TVGCGIOYBOHGRF-HOTGVXAUSA-N 1 3 367.440 2.226 20 0 FEADHO C[NH+]1CCC([C@@H]2CCN(C(=O)CC3(N4CCOCC4)CCCC3)C2)CC1 ZINC000374324022 557865719 /nfs/dbraw/zinc/86/57/19/557865719.db2.gz AMGDCTSDBOYUFW-LJQANCHMSA-N 1 3 363.546 2.212 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](C[C@H]3CCOC3)C2)CC1 ZINC000375012093 557964092 /nfs/dbraw/zinc/96/40/92/557964092.db2.gz JTBFSFKNGNIPDU-ZWKOTPCHSA-N 1 3 351.535 2.114 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000375278050 558003515 /nfs/dbraw/zinc/00/35/15/558003515.db2.gz ZQYJMOSKFFRKHB-HOJAQTOUSA-N 1 3 373.545 2.448 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000375278050 558003516 /nfs/dbraw/zinc/00/35/16/558003516.db2.gz ZQYJMOSKFFRKHB-HOJAQTOUSA-N 1 3 373.545 2.448 20 0 FEADHO COC[C@H](C)OC[C@H](O)CNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375470736 558033211 /nfs/dbraw/zinc/03/32/11/558033211.db2.gz OXBINEBVYCTUEB-MTFMMBMASA-N 1 3 350.503 2.072 20 0 FEADHO COC[C@H](C)OC[C@H](O)CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375470736 558033213 /nfs/dbraw/zinc/03/32/13/558033213.db2.gz OXBINEBVYCTUEB-MTFMMBMASA-N 1 3 350.503 2.072 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1Nc1cc(C(N)=O)ccc1CN(C)C ZINC000375718165 558072102 /nfs/dbraw/zinc/07/21/02/558072102.db2.gz JPBJVSJACOKWKW-AYOQOUSVSA-N 1 3 374.529 2.148 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1Nc1cc(C(N)=O)ccc1CN(C)C ZINC000375718165 558072103 /nfs/dbraw/zinc/07/21/03/558072103.db2.gz JPBJVSJACOKWKW-AYOQOUSVSA-N 1 3 374.529 2.148 20 0 FEADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000376289704 558153228 /nfs/dbraw/zinc/15/32/28/558153228.db2.gz LSDNSWGTFUCOJL-MJGOQNOKSA-N 1 3 374.529 2.395 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000377582005 558370832 /nfs/dbraw/zinc/37/08/32/558370832.db2.gz MDQIQCZULKAITH-NRFANRHFSA-N 1 3 373.541 2.468 20 0 FEADHO COCCOc1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000377667150 558391267 /nfs/dbraw/zinc/39/12/67/558391267.db2.gz AUHLSJUIOWJBGK-GOSISDBHSA-N 1 3 361.530 2.312 20 0 FEADHO CN1CCN(C2(CNC(=O)CCCCCC[NH3+])CCCCCC2)CC1 ZINC000378201405 558501607 /nfs/dbraw/zinc/50/16/07/558501607.db2.gz JMFJAQMAOIOSLV-UHFFFAOYSA-N 1 3 352.567 2.352 20 0 FEADHO CCCCC[C@@H](C)NC(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378423943 558553480 /nfs/dbraw/zinc/55/34/80/558553480.db2.gz CUDSOHVXMFZMBP-MJGOQNOKSA-N 1 3 352.567 2.172 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000378447459 558559668 /nfs/dbraw/zinc/55/96/68/558559668.db2.gz APJLECHRIZQQRZ-HXUWFJFHSA-N 1 3 356.514 2.460 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378447459 558559672 /nfs/dbraw/zinc/55/96/72/558559672.db2.gz APJLECHRIZQQRZ-HXUWFJFHSA-N 1 3 356.514 2.460 20 0 FEADHO C[NH+](C)CCOC1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000524496033 562229627 /nfs/dbraw/zinc/22/96/27/562229627.db2.gz CKYBJGJINHYGHU-UHFFFAOYSA-N 1 3 354.539 2.003 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000525105237 562240544 /nfs/dbraw/zinc/24/05/44/562240544.db2.gz APZQVJFWOLYTBP-PKOBYXMFSA-N 1 3 358.530 2.430 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000525105237 562240545 /nfs/dbraw/zinc/24/05/45/562240545.db2.gz APZQVJFWOLYTBP-PKOBYXMFSA-N 1 3 358.530 2.430 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)C[C@H]1C ZINC000411296677 558871230 /nfs/dbraw/zinc/87/12/30/558871230.db2.gz KWJHNTIFKRJDJJ-VQIMIIECSA-N 1 3 374.529 2.326 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)C[C@H]1C ZINC000411296677 558871233 /nfs/dbraw/zinc/87/12/33/558871233.db2.gz KWJHNTIFKRJDJJ-VQIMIIECSA-N 1 3 374.529 2.326 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000525816219 562256065 /nfs/dbraw/zinc/25/60/65/562256065.db2.gz GPBCXGIBWFJRSF-ALOPSCKCSA-N 1 3 366.550 2.190 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000525816219 562256066 /nfs/dbraw/zinc/25/60/66/562256066.db2.gz GPBCXGIBWFJRSF-ALOPSCKCSA-N 1 3 366.550 2.190 20 0 FEADHO COC(=O)[C@]1(C)CCCN([C@@H](C)CC[N@@H+]2CCC[C@@](C)(C(=O)OC)C2)C1 ZINC000412059140 559008200 /nfs/dbraw/zinc/00/82/00/559008200.db2.gz BPYXGLQNGQMBKM-PWIZWCRZSA-N 1 3 368.518 2.315 20 0 FEADHO COC(=O)[C@]1(C)CCCN([C@@H](C)CC[N@H+]2CCC[C@@](C)(C(=O)OC)C2)C1 ZINC000412059140 559008202 /nfs/dbraw/zinc/00/82/02/559008202.db2.gz BPYXGLQNGQMBKM-PWIZWCRZSA-N 1 3 368.518 2.315 20 0 FEADHO CCN1CC[C@@H](NC(=O)N[C@@H](CC[N@H+](C)CCOC)c2ccccc2)C1 ZINC000413254667 559092584 /nfs/dbraw/zinc/09/25/84/559092584.db2.gz YYFKIDKSRJUGOL-MOPGFXCFSA-N 1 3 362.518 2.089 20 0 FEADHO CCN1CC[C@@H](NC(=O)N[C@@H](CC[N@@H+](C)CCOC)c2ccccc2)C1 ZINC000413254667 559092585 /nfs/dbraw/zinc/09/25/85/559092585.db2.gz YYFKIDKSRJUGOL-MOPGFXCFSA-N 1 3 362.518 2.089 20 0 FEADHO C[NH+](C)CCc1ccccc1NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000526122020 562267545 /nfs/dbraw/zinc/26/75/45/562267545.db2.gz YIUXOCNJELEPIE-JOCHJYFZSA-N 1 3 367.493 2.366 20 0 FEADHO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414180459 559151780 /nfs/dbraw/zinc/15/17/80/559151780.db2.gz BDUDWUNCWDHSLT-AZUAARDMSA-N 1 3 361.530 2.149 20 0 FEADHO CCc1nc(C)c([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)s1 ZINC000414186344 559151848 /nfs/dbraw/zinc/15/18/48/559151848.db2.gz HPPBOEKTVOSURO-HNNXBMFYSA-N 1 3 366.575 2.461 20 0 FEADHO Cc1c([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cnn1C(C)C ZINC000414197674 559152751 /nfs/dbraw/zinc/15/27/51/559152751.db2.gz PSWWWCPMCHOSCC-KRWDZBQOSA-N 1 3 363.550 2.220 20 0 FEADHO CN1CCC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)(N2CCOCC2)CC1 ZINC000414204733 559153030 /nfs/dbraw/zinc/15/30/30/559153030.db2.gz WQKDSQZKASMJFJ-ZWKOTPCHSA-N 1 3 367.578 2.355 20 0 FEADHO CN1CCC(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)(N2CCOCC2)CC1 ZINC000414481869 559167910 /nfs/dbraw/zinc/16/79/10/559167910.db2.gz KYEJJVLNHXHIDT-IAGOWNOFSA-N 1 3 355.592 2.293 20 0 FEADHO CN(C)Cc1cnc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000414523683 559169843 /nfs/dbraw/zinc/16/98/43/559169843.db2.gz IQJLCMFMSLPVIT-UHFFFAOYSA-N 1 3 374.554 2.321 20 0 FEADHO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000414684347 559179440 /nfs/dbraw/zinc/17/94/40/559179440.db2.gz VIICSWIUGZLKFQ-YJBOKZPZSA-N 1 3 361.486 2.038 20 0 FEADHO COc1ccc(OC)c([C@@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000414684347 559179441 /nfs/dbraw/zinc/17/94/41/559179441.db2.gz VIICSWIUGZLKFQ-YJBOKZPZSA-N 1 3 361.486 2.038 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCc2cccc(CN(C)C)c2)cc1 ZINC000414687139 559179883 /nfs/dbraw/zinc/17/98/83/559179883.db2.gz BPXAYZYQJRKADH-CQSZACIVSA-N 1 3 354.454 2.023 20 0 FEADHO Cc1cccc(C)c1NC(=O)CN1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414727646 559182562 /nfs/dbraw/zinc/18/25/62/559182562.db2.gz BISJFOGFURBELO-RBUKOAKNSA-N 1 3 358.530 2.248 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)c(C)c2)CC1 ZINC000414754308 559185132 /nfs/dbraw/zinc/18/51/32/559185132.db2.gz RTUDZGFEUICSQE-IAGOWNOFSA-N 1 3 359.518 2.338 20 0 FEADHO COCCOc1cc2c(cc1CN1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)OCO2 ZINC000414785268 559187367 /nfs/dbraw/zinc/18/73/67/559187367.db2.gz SGGIZVRXXLBMJG-CVEARBPZSA-N 1 3 362.470 2.262 20 0 FEADHO O=C(NCCCCC[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414819076 559189413 /nfs/dbraw/zinc/18/94/13/559189413.db2.gz GOJQEBHWCIIIQS-UHFFFAOYSA-N 1 3 372.513 2.043 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2CCCC[C@H]2CC)c1 ZINC000414834313 559190131 /nfs/dbraw/zinc/19/01/31/559190131.db2.gz QPORLNLXEOOJKP-GOSISDBHSA-N 1 3 360.502 2.115 20 0 FEADHO CC(C)N1[C@@H]2CC[C@H]1CN(C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)CC2 ZINC000414916722 559195154 /nfs/dbraw/zinc/19/51/54/559195154.db2.gz QERJYZPKJCFXOP-OLMNPRSZSA-N 1 3 358.486 2.119 20 0 FEADHO O=C1CC[C@@H](NCc2cccc(OC(F)(F)F)c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414981411 559198701 /nfs/dbraw/zinc/19/87/01/559198701.db2.gz BQLCBAOYFMDHJD-WBVHZDCISA-N 1 3 371.403 2.322 20 0 FEADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CNCCCO1 ZINC000415049316 559202555 /nfs/dbraw/zinc/20/25/55/559202555.db2.gz XWIMSFUNQSNWAG-HOCLYGCPSA-N 1 3 353.894 2.045 20 0 FEADHO Cc1cccc(C[NH2+]C[C@H]2CCCN(C(=O)CN)C2)c1Br ZINC000415093941 559204914 /nfs/dbraw/zinc/20/49/14/559204914.db2.gz CWRAOHKEUOYVKM-CYBMUJFWSA-N 1 3 354.292 2.044 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)C1 ZINC000415116079 559205987 /nfs/dbraw/zinc/20/59/87/559205987.db2.gz YYDMTUMOYMLPNR-PXNSSMCTSA-N 1 3 359.514 2.067 20 0 FEADHO CC[C@H](CN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000415141590 559208436 /nfs/dbraw/zinc/20/84/36/559208436.db2.gz PQSJEWOBJHWGMM-AHRSYUTCSA-N 1 3 356.514 2.400 20 0 FEADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000415162076 559210648 /nfs/dbraw/zinc/21/06/48/559210648.db2.gz VVSBGJDKLXMVNH-BEFAXECRSA-N 1 3 368.481 2.152 20 0 FEADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC000415164518 559210817 /nfs/dbraw/zinc/21/08/17/559210817.db2.gz YOENKJHMGRDXIS-BEFAXECRSA-N 1 3 368.481 2.152 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c1 ZINC000415267261 559219810 /nfs/dbraw/zinc/21/98/10/559219810.db2.gz NBFYMLVABYSMMO-MRXNPFEDSA-N 1 3 372.513 2.067 20 0 FEADHO C[C@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)CCCN1C ZINC000415419731 559233629 /nfs/dbraw/zinc/23/36/29/559233629.db2.gz RCRJBZIZDBCODT-LPHOPBHVSA-N 1 3 369.513 2.324 20 0 FEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415507757 559245040 /nfs/dbraw/zinc/24/50/40/559245040.db2.gz UAZXLOKZYXOOPA-LJQANCHMSA-N 1 3 374.529 2.443 20 0 FEADHO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415811250 559273950 /nfs/dbraw/zinc/27/39/50/559273950.db2.gz YIALQCAAGQVBEC-SFHVURJKSA-N 1 3 372.513 2.259 20 0 FEADHO C[NH2+]Cc1ccc(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000415970849 559285889 /nfs/dbraw/zinc/28/58/89/559285889.db2.gz JBBBFJKQRALCMT-NRFANRHFSA-N 1 3 368.481 2.165 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000416048581 559290723 /nfs/dbraw/zinc/29/07/23/559290723.db2.gz QCWVEHCKCHOTOF-ZBFHGGJFSA-N 1 3 372.435 2.430 20 0 FEADHO COc1cccc([C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)N2CCCC2)c1 ZINC000416842790 559334779 /nfs/dbraw/zinc/33/47/79/559334779.db2.gz JZUDEBFONIRLRI-JKSUJKDBSA-N 1 3 370.444 2.114 20 0 FEADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)N(C)C)cc1 ZINC000416848893 559335059 /nfs/dbraw/zinc/33/50/59/559335059.db2.gz XHYXJRDXHOGDCY-JKSUJKDBSA-N 1 3 354.445 2.148 20 0 FEADHO COc1cccc([C@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000416852311 559335223 /nfs/dbraw/zinc/33/52/23/559335223.db2.gz MJVKVSFRKLIAPC-MJGOQNOKSA-N 1 3 360.502 2.273 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1cccc(OC)c1 ZINC000416905692 559337561 /nfs/dbraw/zinc/33/75/61/559337561.db2.gz GPZKFBJKTTXAFO-ZYSHUDEJSA-N 1 3 362.518 2.375 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000416975914 559341315 /nfs/dbraw/zinc/34/13/15/559341315.db2.gz NJZHQLNPNPVRGU-RTBURBONSA-N 1 3 356.514 2.210 20 0 FEADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000416979421 559341622 /nfs/dbraw/zinc/34/16/22/559341622.db2.gz SJKNDCHRDQRXOF-HKUYNNGSSA-N 1 3 358.530 2.462 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccsc1 ZINC000416997987 559342900 /nfs/dbraw/zinc/34/29/00/559342900.db2.gz AKWVZKQBDWRDKA-USXIJHARSA-N 1 3 350.532 2.382 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)N3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000417053312 559345937 /nfs/dbraw/zinc/34/59/37/559345937.db2.gz RSGVQCSMZJSRPL-LJQANCHMSA-N 1 3 373.545 2.030 20 0 FEADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417088387 559347277 /nfs/dbraw/zinc/34/72/77/559347277.db2.gz KJLSQCCULPKDCA-PZJWPPBQSA-N 1 3 356.514 2.436 20 0 FEADHO CC(C)(CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCc2ccccc2C1 ZINC000417090800 559347391 /nfs/dbraw/zinc/34/73/91/559347391.db2.gz YQSRCIMBZQQYDY-OALUTQOASA-N 1 3 356.514 2.217 20 0 FEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417111895 559348247 /nfs/dbraw/zinc/34/82/47/559348247.db2.gz MHGYIZRGHDZRJW-MRXNPFEDSA-N 1 3 356.580 2.363 20 0 FEADHO CC[NH2+]CC1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000417120809 559348798 /nfs/dbraw/zinc/34/87/98/559348798.db2.gz VQFCINKKASZSFS-UHFFFAOYSA-N 1 3 368.591 2.379 20 0 FEADHO CC1(NC(=O)NCCCCN2CCN(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000417154009 559350324 /nfs/dbraw/zinc/35/03/24/559350324.db2.gz PSOQNVPXLRZTOV-UHFFFAOYSA-N 1 3 373.545 2.030 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)cc1 ZINC000417336398 559358201 /nfs/dbraw/zinc/35/82/01/559358201.db2.gz VEJLQOLUBKURAE-OXJNMPFZSA-N 1 3 374.529 2.286 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417356956 559358955 /nfs/dbraw/zinc/35/89/55/559358955.db2.gz COCBERHCDIWBEE-ULQDDVLXSA-N 1 3 362.543 2.211 20 0 FEADHO C[NH2+][C@H]1CCCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000417356523 559358967 /nfs/dbraw/zinc/35/89/67/559358967.db2.gz CILOXWIJOMTUEK-CVEARBPZSA-N 1 3 350.532 2.354 20 0 FEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417644375 559369942 /nfs/dbraw/zinc/36/99/42/559369942.db2.gz AKFKHWJQPLBHPV-PZJWPPBQSA-N 1 3 356.514 2.436 20 0 FEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417644374 559370038 /nfs/dbraw/zinc/37/00/38/559370038.db2.gz AKFKHWJQPLBHPV-FPOVZHCZSA-N 1 3 356.514 2.436 20 0 FEADHO COc1cc(NC(=O)N[C@H](C)CC[NH+](C)C)ccc1OCCN(C)C ZINC000417656867 559370814 /nfs/dbraw/zinc/37/08/14/559370814.db2.gz VJTSCSPZMBHRME-CQSZACIVSA-N 1 3 352.479 2.097 20 0 FEADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417660535 559371159 /nfs/dbraw/zinc/37/11/59/559371159.db2.gz APYGSNKGPKGPEI-YZGWKJHDSA-N 1 3 370.541 2.463 20 0 FEADHO COc1cc(NC(=O)NCCC[NH+]2CCCC2)ccc1OCCN(C)C ZINC000417674289 559371834 /nfs/dbraw/zinc/37/18/34/559371834.db2.gz YONRTTBUJKMNNB-UHFFFAOYSA-N 1 3 364.490 2.243 20 0 FEADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417680836 559372169 /nfs/dbraw/zinc/37/21/69/559372169.db2.gz JISUJRZLESRCGP-RBUKOAKNSA-N 1 3 358.530 2.496 20 0 FEADHO CN1CCC[C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[C@H]1c1cccs1 ZINC000417734287 559374617 /nfs/dbraw/zinc/37/46/17/559374617.db2.gz JSBWIRBKWFGYKI-CVYDXHPNSA-N 1 3 362.543 2.382 20 0 FEADHO CC(C)(C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H](N)c1ccccc1 ZINC000417784111 559376221 /nfs/dbraw/zinc/37/62/21/559376221.db2.gz OEPNHXAATXGZIP-GOSISDBHSA-N 1 3 353.470 2.156 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CN1Cc1ccccc1 ZINC000417866681 559380029 /nfs/dbraw/zinc/38/00/29/559380029.db2.gz DWZAKDXNACTIJR-LMNJBCLMSA-N 1 3 356.514 2.435 20 0 FEADHO CC(C)C[C@H](CNC(=O)NC[C@H]1CNCCO1)[NH2+][C@H](C)c1ccccc1 ZINC000417873150 559380265 /nfs/dbraw/zinc/38/02/65/559380265.db2.gz LIIATUMWKXOYIP-BHIYHBOVSA-N 1 3 362.518 2.040 20 0 FEADHO C[C@]1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCCN1Cc1ccccc1 ZINC000418037943 559387625 /nfs/dbraw/zinc/38/76/25/559387625.db2.gz DXUFGFAZARYFTK-QKNQBKEWSA-N 1 3 356.514 2.435 20 0 FEADHO COC[C@@]1(CNC(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CCC[NH2+]1 ZINC000418047308 559387830 /nfs/dbraw/zinc/38/78/30/559387830.db2.gz SCIFCTPXUKZOEQ-SFTDATJTSA-N 1 3 374.529 2.109 20 0 FEADHO COC[C@]1(CNC(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CCC[NH2+]1 ZINC000418047303 559387915 /nfs/dbraw/zinc/38/79/15/559387915.db2.gz SCIFCTPXUKZOEQ-NHCUHLMSSA-N 1 3 374.529 2.109 20 0 FEADHO CCCN(C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CC[NH2+]C1 ZINC000418072126 559388964 /nfs/dbraw/zinc/38/89/64/559388964.db2.gz JWEHXVRPCUPDPI-WOJBJXKFSA-N 1 3 374.529 2.061 20 0 FEADHO [NH3+]CC[C@H](NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C(F)F ZINC000418103311 559390124 /nfs/dbraw/zinc/39/01/24/559390124.db2.gz ISSIWGJECLCSNN-MCIGGMRASA-N 1 3 372.382 2.073 20 0 FEADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418106767 559390373 /nfs/dbraw/zinc/39/03/73/559390373.db2.gz NTQDRPLVVQCFEL-SLFFLAALSA-N 1 3 356.514 2.150 20 0 FEADHO C[NH2+]CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418161564 559392499 /nfs/dbraw/zinc/39/24/99/559392499.db2.gz TYXLRPMSXPMRMO-VQTJNVASSA-N 1 3 352.482 2.173 20 0 FEADHO C[C@H]1[C@@H](NC(=O)N2CCC(OCCC[NH3+])CC2)CCN1Cc1ccccc1 ZINC000418184808 559393380 /nfs/dbraw/zinc/39/33/80/559393380.db2.gz ACWOMPCEXAPNBL-PXNSSMCTSA-N 1 3 374.529 2.189 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)N(C)C)cc1 ZINC000418229156 559394684 /nfs/dbraw/zinc/39/46/84/559394684.db2.gz GDSUCLSCGYCQMZ-PKOBYXMFSA-N 1 3 362.543 2.406 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)N(C)C)cc1 ZINC000418229151 559394781 /nfs/dbraw/zinc/39/47/81/559394781.db2.gz GDSUCLSCGYCQMZ-IEBWSBKVSA-N 1 3 362.543 2.406 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)N(C)C)cc1 ZINC000418233728 559394900 /nfs/dbraw/zinc/39/49/00/559394900.db2.gz OYFWNCPETOKWFF-XKQJLSEDSA-N 1 3 350.532 2.390 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NC2(C)CC[NH2+]CC2)N(C)C)cc1 ZINC000418236725 559395005 /nfs/dbraw/zinc/39/50/05/559395005.db2.gz VADDCHRGGJDERO-MRXNPFEDSA-N 1 3 350.532 2.453 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)N(C)C)cc1 ZINC000418237075 559395010 /nfs/dbraw/zinc/39/50/10/559395010.db2.gz VKUIVKQPARDSGZ-VBQJREDUSA-N 1 3 350.532 2.403 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CCN[C@@H](C)[C@H]2C)[NH+](C)C)cc1 ZINC000418237075 559395011 /nfs/dbraw/zinc/39/50/11/559395011.db2.gz VKUIVKQPARDSGZ-VBQJREDUSA-N 1 3 350.532 2.403 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418322036 559397360 /nfs/dbraw/zinc/39/73/60/559397360.db2.gz SKYHGVMFQVIPIP-MOPGFXCFSA-N 1 3 359.518 2.077 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000418426040 559401099 /nfs/dbraw/zinc/40/10/99/559401099.db2.gz JCESMABLTHEVPY-RBUKOAKNSA-N 1 3 356.470 2.297 20 0 FEADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418424816 559401104 /nfs/dbraw/zinc/40/11/04/559401104.db2.gz KSFVGKBIPJQEKT-MJGOQNOKSA-N 1 3 359.518 2.457 20 0 FEADHO C[C@@H]1CCN(C)CCN1C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418562885 559406285 /nfs/dbraw/zinc/40/62/85/559406285.db2.gz GZSCQZOOHWLOSE-XUWXXGDYSA-N 1 3 366.456 2.146 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000418605253 559407485 /nfs/dbraw/zinc/40/74/85/559407485.db2.gz YMHHQPYQGGJEMJ-AFYVEPGGSA-N 1 3 356.514 2.148 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)C[C@H](C)O1 ZINC000418612093 559407910 /nfs/dbraw/zinc/40/79/10/559407910.db2.gz FBDJPEXFPZYSRF-FCEWJHQRSA-N 1 3 366.550 2.035 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418615182 559408014 /nfs/dbraw/zinc/40/80/14/559408014.db2.gz GXMKYPAAIHVVRZ-SFHVURJKSA-N 1 3 350.482 2.416 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000418630609 559408664 /nfs/dbraw/zinc/40/86/64/559408664.db2.gz FOZDIMTUBFRMPV-QUCCMNQESA-N 1 3 374.529 2.016 20 0 FEADHO CCCN(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418673588 559410746 /nfs/dbraw/zinc/41/07/46/559410746.db2.gz PGSBHHVJJUYUNN-VNTMZGSJSA-N 1 3 356.514 2.290 20 0 FEADHO CN(C)[C@@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000418720588 559412397 /nfs/dbraw/zinc/41/23/97/559412397.db2.gz GKTNCKWPJAAKAR-QXAKKESOSA-N 1 3 362.493 2.254 20 0 FEADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418722414 559412517 /nfs/dbraw/zinc/41/25/17/559412517.db2.gz IDQKLWVXUSDDQI-HHXXYDBFSA-N 1 3 362.493 2.254 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000418730485 559412931 /nfs/dbraw/zinc/41/29/31/559412931.db2.gz SJSRQJCQILWODR-JFRXWTBNSA-N 1 3 366.550 2.035 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418807024 559416937 /nfs/dbraw/zinc/41/69/37/559416937.db2.gz YTXDFSMJEHHJQK-RYQLBKOJSA-N 1 3 362.493 2.287 20 0 FEADHO C[NH2+]CC1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000420281936 559478598 /nfs/dbraw/zinc/47/85/98/559478598.db2.gz AUCFTWYCSURIDU-SFHVURJKSA-N 1 3 351.441 2.387 20 0 FEADHO CC(C)CNC(=O)c1cccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000420330754 559481123 /nfs/dbraw/zinc/48/11/23/559481123.db2.gz LVBRMQDIVILUCG-UXHICEINSA-N 1 3 359.514 2.401 20 0 FEADHO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338831 559481596 /nfs/dbraw/zinc/48/15/96/559481596.db2.gz YCGRGQUGFCUTTD-HCXYKTFWSA-N 1 3 351.535 2.019 20 0 FEADHO COc1ccc([C@@H](NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)C(C)C)cc1 ZINC000420337053 559481798 /nfs/dbraw/zinc/48/17/98/559481798.db2.gz MSHJKSGDHFCPRG-UEXGIBASSA-N 1 3 359.514 2.440 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3cnc4c(c3)c(C)nn4C)CC2)CC1 ZINC000420979839 559516677 /nfs/dbraw/zinc/51/66/77/559516677.db2.gz KSEWBZBBSTUARI-UHFFFAOYSA-N 1 3 370.545 2.269 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N(C)C3CCCCC3)CC2)CC1 ZINC000420997671 559518585 /nfs/dbraw/zinc/51/85/85/559518585.db2.gz AGZKSPHWLUOXAK-UHFFFAOYSA-N 1 3 364.578 2.270 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)N(C)C3CCCCC3)CC2)CC1 ZINC000420997671 559518586 /nfs/dbraw/zinc/51/85/86/559518586.db2.gz AGZKSPHWLUOXAK-UHFFFAOYSA-N 1 3 364.578 2.270 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000421019567 559519818 /nfs/dbraw/zinc/51/98/18/559519818.db2.gz YGNPPLRETRINAY-LJQANCHMSA-N 1 3 364.578 2.270 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000421019567 559519819 /nfs/dbraw/zinc/51/98/19/559519819.db2.gz YGNPPLRETRINAY-LJQANCHMSA-N 1 3 364.578 2.270 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc([S@@](C)=O)cc3)CC2)CC1 ZINC000421383664 559540673 /nfs/dbraw/zinc/54/06/73/559540673.db2.gz ZWVWXXHHJADXDE-RUZDIDTESA-N 1 3 363.571 2.416 20 0 FEADHO CCN1CCC([N@H+]2CCCN(Cc3ccc([S@@](C)=O)cc3)CC2)CC1 ZINC000421383664 559540674 /nfs/dbraw/zinc/54/06/74/559540674.db2.gz ZWVWXXHHJADXDE-RUZDIDTESA-N 1 3 363.571 2.416 20 0 FEADHO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000421828007 559554768 /nfs/dbraw/zinc/55/47/68/559554768.db2.gz AMXBGLZDIPODGY-INIZCTEOSA-N 1 3 371.928 2.390 20 0 FEADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000422755397 559605674 /nfs/dbraw/zinc/60/56/74/559605674.db2.gz BMZIJTKEHSGNOQ-NFBKMPQASA-N 1 3 366.553 2.352 20 0 FEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCN1CCN(Cc2ccccc2)CC1 ZINC000422755397 559605675 /nfs/dbraw/zinc/60/56/75/559605675.db2.gz BMZIJTKEHSGNOQ-NFBKMPQASA-N 1 3 366.553 2.352 20 0 FEADHO CN1CCN(c2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cn2)CC1 ZINC000422815490 559607270 /nfs/dbraw/zinc/60/72/70/559607270.db2.gz BWZHRKTXGHMXNH-SLFFLAALSA-N 1 3 357.546 2.234 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000422899571 559610371 /nfs/dbraw/zinc/61/03/71/559610371.db2.gz HQPBZOBUKKDAFH-ZJQBRPOHSA-N 1 3 363.285 2.075 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2ccnc(N3CCCCC3)c2)CC[NH2+]CC1 ZINC000422905846 559610772 /nfs/dbraw/zinc/61/07/72/559610772.db2.gz ZOBQPIYPBUHNMR-KRWDZBQOSA-N 1 3 374.529 2.483 20 0 FEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000422911113 559610906 /nfs/dbraw/zinc/61/09/06/559610906.db2.gz SGHSYAABCYENQK-PXNSSMCTSA-N 1 3 360.546 2.378 20 0 FEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN1c2ccccc2OCC1=O ZINC000422921815 559611417 /nfs/dbraw/zinc/61/14/17/559611417.db2.gz OXMKJWWVTOEREU-SJLPKXTDSA-N 1 3 353.466 2.350 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000423020719 559615361 /nfs/dbraw/zinc/61/53/61/559615361.db2.gz CTFFEZFGSWXSFJ-BZSNNMDCSA-N 1 3 355.910 2.055 20 0 FEADHO COC[C@@H](CCC[NH3+])N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000423057272 559616990 /nfs/dbraw/zinc/61/69/90/559616990.db2.gz ZBGGHTYPGTWRFH-OCCSQVGLSA-N 1 3 359.392 2.154 20 0 FEADHO Clc1cccc2c1CCN(CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000423064702 559617046 /nfs/dbraw/zinc/61/70/46/559617046.db2.gz ZODHKIAXYOQUHS-DFQSSKMNSA-N 1 3 363.933 2.445 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423085053 559618189 /nfs/dbraw/zinc/61/81/89/559618189.db2.gz JDHRCWYCCHNQDT-YVVXQTMVSA-N 1 3 368.319 2.370 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423085051 559618202 /nfs/dbraw/zinc/61/82/02/559618202.db2.gz JDHRCWYCCHNQDT-CSFVBSKPSA-N 1 3 368.319 2.370 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2ccnc(OC(F)F)c2)CC[NH2+]CC1 ZINC000423101783 559619129 /nfs/dbraw/zinc/61/91/29/559619129.db2.gz JIXGMZSOWGNISA-GFCCVEGCSA-N 1 3 357.401 2.094 20 0 FEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000423106140 559619236 /nfs/dbraw/zinc/61/92/36/559619236.db2.gz JPJGANIJKBHHCO-CYBMUJFWSA-N 1 3 352.438 2.186 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(N3CCNCC3)cn2)[C@@H](C)C1 ZINC000423230769 559623291 /nfs/dbraw/zinc/62/32/91/559623291.db2.gz JYBKIQNMWUATJM-PKOBYXMFSA-N 1 3 361.534 2.040 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](Nc2ccc(N3CCNCC3)cn2)[C@@H](C)C1 ZINC000423230769 559623292 /nfs/dbraw/zinc/62/32/92/559623292.db2.gz JYBKIQNMWUATJM-PKOBYXMFSA-N 1 3 361.534 2.040 20 0 FEADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc(N2CCNCC2)cn1 ZINC000423231477 559623351 /nfs/dbraw/zinc/62/33/51/559623351.db2.gz LGYPJAGWWLJNOY-FXAWDEMLSA-N 1 3 351.498 2.424 20 0 FEADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(N2CCNCC2)cn1 ZINC000423231477 559623352 /nfs/dbraw/zinc/62/33/52/559623352.db2.gz LGYPJAGWWLJNOY-FXAWDEMLSA-N 1 3 351.498 2.424 20 0 FEADHO C[C@H](NCC[C@@H]1CC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423245441 559623594 /nfs/dbraw/zinc/62/35/94/559623594.db2.gz IWUHRKSIOCIHQK-UWVGGRQHSA-N 1 3 366.314 2.291 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@H](C)CCN2)cc1 ZINC000423300153 559624751 /nfs/dbraw/zinc/62/47/51/559624751.db2.gz QZCPSXNRHPKPBN-CRAIPNDOSA-N 1 3 360.502 2.085 20 0 FEADHO Cc1ccc([C@H](CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)N(C)C)cc1 ZINC000423344558 559626169 /nfs/dbraw/zinc/62/61/69/559626169.db2.gz NBTLPZALAKZGGI-OALUTQOASA-N 1 3 355.486 2.149 20 0 FEADHO Cc1ccc([C@H](CNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000423348230 559626284 /nfs/dbraw/zinc/62/62/84/559626284.db2.gz SKFRAYUUZGXBRG-AEFFLSMTSA-N 1 3 355.486 2.218 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3CCC[NH2+][C@@H]3C)CC2)cc1 ZINC000423365916 559626843 /nfs/dbraw/zinc/62/68/43/559626843.db2.gz WXCANFZXCRVEGD-UZLBHIALSA-N 1 3 359.514 2.412 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423634717 559634594 /nfs/dbraw/zinc/63/45/94/559634594.db2.gz CZXXMRWDNLJDAM-LJQANCHMSA-N 1 3 373.476 2.151 20 0 FEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000423857001 559643136 /nfs/dbraw/zinc/64/31/36/559643136.db2.gz XGMFNEBDRTWBKG-AQNXPRMDSA-N 1 3 359.514 2.028 20 0 FEADHO C[C@@H]1C[C@H](CCNC(=O)C[C@H]2CSCCN2)C[N@@H+]1Cc1ccccc1 ZINC000423913606 559645306 /nfs/dbraw/zinc/64/53/06/559645306.db2.gz XEPZSCIQVMTEFB-NEWSRXKRSA-N 1 3 361.555 2.498 20 0 FEADHO C[C@@H]1C[C@H](CCNC(=O)C[C@H]2CSCCN2)C[N@H+]1Cc1ccccc1 ZINC000423913606 559645307 /nfs/dbraw/zinc/64/53/07/559645307.db2.gz XEPZSCIQVMTEFB-NEWSRXKRSA-N 1 3 361.555 2.498 20 0 FEADHO [NH3+]C[C@@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000423937894 559646888 /nfs/dbraw/zinc/64/68/88/559646888.db2.gz GZCDMWSPFJMXSY-HXUWFJFHSA-N 1 3 358.530 2.223 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)c1 ZINC000423954423 559647995 /nfs/dbraw/zinc/64/79/95/559647995.db2.gz KBZFTFHYDDSHPM-FQEVSTJZSA-N 1 3 358.530 2.141 20 0 FEADHO CCC[C@@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)N(C)C ZINC000424047106 559652553 /nfs/dbraw/zinc/65/25/53/559652553.db2.gz UJSVYWFHQFSNME-IBGZPJMESA-N 1 3 361.534 2.313 20 0 FEADHO CCC[C@@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)N(C)C ZINC000424047106 559652554 /nfs/dbraw/zinc/65/25/54/559652554.db2.gz UJSVYWFHQFSNME-IBGZPJMESA-N 1 3 361.534 2.313 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCCCS(C)(=O)=O)CC1 ZINC000424170723 559656698 /nfs/dbraw/zinc/65/66/98/559656698.db2.gz KGONSBIIEGSTRW-UHFFFAOYSA-N 1 3 367.559 2.133 20 0 FEADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCN3CCN(c4ccncc4)CC3)C[C@H]2C1 ZINC000424262157 559659819 /nfs/dbraw/zinc/65/98/19/559659819.db2.gz DFWFKERGCFEGON-BITOSCEUSA-N 1 3 358.530 2.387 20 0 FEADHO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000424337855 559661517 /nfs/dbraw/zinc/66/15/17/559661517.db2.gz SKGBFRZSHOYUOL-KURKYZTESA-N 1 3 361.486 2.227 20 0 FEADHO COc1cccc([C@@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])N2CCCC2)c1 ZINC000424452928 559665569 /nfs/dbraw/zinc/66/55/69/559665569.db2.gz IYWDZRSDSXCNHR-GUDVDZBRSA-N 1 3 360.502 2.401 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000424467473 559666367 /nfs/dbraw/zinc/66/63/67/559666367.db2.gz MZUGKIBGZALNOT-KXBFYZLASA-N 1 3 368.481 2.200 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000427276446 559752071 /nfs/dbraw/zinc/75/20/71/559752071.db2.gz WSYHHXKIPAVTTL-LJQANCHMSA-N 1 3 372.557 2.220 20 0 FEADHO O=C(NCCC[NH+]1CCCC1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000428745628 559782354 /nfs/dbraw/zinc/78/23/54/559782354.db2.gz FQIPXNOZILQHTP-FQEVSTJZSA-N 1 3 374.529 2.063 20 0 FEADHO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000428796539 559783508 /nfs/dbraw/zinc/78/35/08/559783508.db2.gz YVFHDWSNUSDRQX-QFIPXVFZSA-N 1 3 373.541 2.219 20 0 FEADHO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000428796539 559783509 /nfs/dbraw/zinc/78/35/09/559783509.db2.gz YVFHDWSNUSDRQX-QFIPXVFZSA-N 1 3 373.541 2.219 20 0 FEADHO COc1cc(NC(=O)CCN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc(OC)c1OC ZINC000430548171 559822284 /nfs/dbraw/zinc/82/22/84/559822284.db2.gz GHAKPDGBULKXOV-ZIAGYGMSSA-N 1 3 365.474 2.100 20 0 FEADHO Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCC3(CC[NH2+]C3)CC2)c(C)c1 ZINC000431026238 559832600 /nfs/dbraw/zinc/83/26/00/559832600.db2.gz RKBVXDSHRRGLTF-INIZCTEOSA-N 1 3 358.486 2.416 20 0 FEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433405532 559880269 /nfs/dbraw/zinc/88/02/69/559880269.db2.gz GSSVHUMEXOICIE-QZTJIDSGSA-N 1 3 354.539 2.051 20 0 FEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433405532 559880268 /nfs/dbraw/zinc/88/02/68/559880268.db2.gz GSSVHUMEXOICIE-QZTJIDSGSA-N 1 3 354.539 2.051 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccccc3OCC(=O)N3CCCC3)C[C@@H]21 ZINC000435384778 559922096 /nfs/dbraw/zinc/92/20/96/559922096.db2.gz OKFACODGSQDKKD-YTQUADARSA-N 1 3 357.498 2.247 20 0 FEADHO CSc1ccc(OCCN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436056435 559934524 /nfs/dbraw/zinc/93/45/24/559934524.db2.gz VYVGPUISIDCQPX-HNNXBMFYSA-N 1 3 351.516 2.107 20 0 FEADHO CCc1ccnc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000437631085 559967030 /nfs/dbraw/zinc/96/70/30/559967030.db2.gz UCSFLLFLWOYLLB-UHFFFAOYSA-N 1 3 359.518 2.002 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000438195259 559975448 /nfs/dbraw/zinc/97/54/48/559975448.db2.gz BLYOFKDFTGZULI-CVEARBPZSA-N 1 3 351.457 2.087 20 0 FEADHO [NH3+]CC[C@@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000442613907 560053529 /nfs/dbraw/zinc/05/35/29/560053529.db2.gz FQTSQZQAWTYXFS-IBGZPJMESA-N 1 3 358.530 2.176 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000443227065 560075328 /nfs/dbraw/zinc/07/53/28/560075328.db2.gz OUEPDNBEULKDFO-OAHLLOKOSA-N 1 3 356.555 2.151 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)cc1 ZINC000444189596 560104967 /nfs/dbraw/zinc/10/49/67/560104967.db2.gz VUKMDTLDXGTRBS-FPOVZHCZSA-N 1 3 357.498 2.023 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448033261 560176379 /nfs/dbraw/zinc/17/63/79/560176379.db2.gz YVDBEHYUEKRGFY-QZTJIDSGSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@H](C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1)N1CCN(C)CC1 ZINC000449133254 560217602 /nfs/dbraw/zinc/21/76/02/560217602.db2.gz CYMIOTBJCSWLBK-WOJBJXKFSA-N 1 3 358.574 2.308 20 0 FEADHO C[C@H](CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)N1CCN(C)CC1 ZINC000449133254 560217604 /nfs/dbraw/zinc/21/76/04/560217604.db2.gz CYMIOTBJCSWLBK-WOJBJXKFSA-N 1 3 358.574 2.308 20 0 FEADHO COCC1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)CC1 ZINC000449216534 560220631 /nfs/dbraw/zinc/22/06/31/560220631.db2.gz SWOUFFSQDHSGCE-MHJFOBGBSA-N 1 3 361.530 2.070 20 0 FEADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000449357996 560226657 /nfs/dbraw/zinc/22/66/57/560226657.db2.gz BPJGIIHMBCTYPZ-YLJYHZDGSA-N 1 3 359.514 2.029 20 0 FEADHO CC[C@H](C)N1CCN(c2cc(N3CC[NH+]([C@@H](C)CC)CC3)ncn2)CC1 ZINC000450858222 560275947 /nfs/dbraw/zinc/27/59/47/560275947.db2.gz LAXUVFYZSNDSGO-ROUUACIJSA-N 1 3 360.550 2.318 20 0 FEADHO CO[C@@H]1C[C@@H](NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1(C)C ZINC000451486823 560309829 /nfs/dbraw/zinc/30/98/29/560309829.db2.gz FCVFXVLLTVVXMX-WOJBJXKFSA-N 1 3 373.541 2.479 20 0 FEADHO CC1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000453598800 560390432 /nfs/dbraw/zinc/39/04/32/560390432.db2.gz MKOKNRXWCGASQB-IBGZPJMESA-N 1 3 372.513 2.022 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453654230 560393752 /nfs/dbraw/zinc/39/37/52/560393752.db2.gz NURCZVXEABOOTM-MJGOQNOKSA-N 1 3 372.513 2.165 20 0 FEADHO C[N@H+]1CC[C@@H]2CN(C(=O)NCC(C)(C)N3CCc4ccccc4C3)C[C@@H]21 ZINC000454224069 560435295 /nfs/dbraw/zinc/43/52/95/560435295.db2.gz KOZZNZWBQWWRCG-MOPGFXCFSA-N 1 3 356.514 2.169 20 0 FEADHO CN1CC[C@H]2CN(C(=O)NC[C@@H](C3CC3)[N@H+](C)Cc3ccccc3)C[C@H]21 ZINC000454825668 560459668 /nfs/dbraw/zinc/45/96/68/560459668.db2.gz TYWUEIKCTSYEQO-SLFFLAALSA-N 1 3 356.514 2.243 20 0 FEADHO CN1CC[C@H]2CN(C(=O)NC[C@@H](C3CC3)[N@@H+](C)Cc3ccccc3)C[C@H]21 ZINC000454825668 560459669 /nfs/dbraw/zinc/45/96/69/560459669.db2.gz TYWUEIKCTSYEQO-SLFFLAALSA-N 1 3 356.514 2.243 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccnn1CCN(C)C ZINC000455656200 560490769 /nfs/dbraw/zinc/49/07/69/560490769.db2.gz KDCNAHCIISATLA-IRXDYDNUSA-N 1 3 364.538 2.467 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)Cc1ccccc1 ZINC000457469314 560568647 /nfs/dbraw/zinc/56/86/47/560568647.db2.gz CNFCWVDMHIUGLL-CTNGQTDRSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)Cc1ccccc1 ZINC000457469314 560568649 /nfs/dbraw/zinc/56/86/49/560568649.db2.gz CNFCWVDMHIUGLL-CTNGQTDRSA-N 1 3 358.530 2.287 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457612810 560578069 /nfs/dbraw/zinc/57/80/69/560578069.db2.gz KSNZTPQLSYNIAL-UHFFFAOYSA-N 1 3 351.535 2.257 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000457657378 560580310 /nfs/dbraw/zinc/58/03/10/560580310.db2.gz VXGNPNBXGFRXLZ-GOSISDBHSA-N 1 3 362.518 2.158 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000457657378 560580311 /nfs/dbraw/zinc/58/03/11/560580311.db2.gz VXGNPNBXGFRXLZ-GOSISDBHSA-N 1 3 362.518 2.158 20 0 FEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000457662575 560580666 /nfs/dbraw/zinc/58/06/66/560580666.db2.gz ZGKOIPORFCPPFN-GOSISDBHSA-N 1 3 362.518 2.251 20 0 FEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000457662575 560580667 /nfs/dbraw/zinc/58/06/67/560580667.db2.gz ZGKOIPORFCPPFN-GOSISDBHSA-N 1 3 362.518 2.251 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000457830493 560589721 /nfs/dbraw/zinc/58/97/21/560589721.db2.gz FSWMWWRBLYUJSY-IRXDYDNUSA-N 1 3 350.532 2.448 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000457830493 560589722 /nfs/dbraw/zinc/58/97/22/560589722.db2.gz FSWMWWRBLYUJSY-IRXDYDNUSA-N 1 3 350.532 2.448 20 0 FEADHO C[N@@H+]1CCC[C@@H](CCNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000458171326 560606831 /nfs/dbraw/zinc/60/68/31/560606831.db2.gz PRFZXRJGCVVAGE-IBGZPJMESA-N 1 3 358.530 2.047 20 0 FEADHO C[N@H+]1CCC[C@@H](CCNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000458171326 560606832 /nfs/dbraw/zinc/60/68/32/560606832.db2.gz PRFZXRJGCVVAGE-IBGZPJMESA-N 1 3 358.530 2.047 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000459043027 560663517 /nfs/dbraw/zinc/66/35/17/560663517.db2.gz CUEKMBXXNUQOMH-PHSGOXPASA-N 1 3 360.502 2.222 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000459043027 560663518 /nfs/dbraw/zinc/66/35/18/560663518.db2.gz CUEKMBXXNUQOMH-PHSGOXPASA-N 1 3 360.502 2.222 20 0 FEADHO CCn1cc([C@@H](C)NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cn1 ZINC000459120860 560668071 /nfs/dbraw/zinc/66/80/71/560668071.db2.gz ZSUSPHSSEDRIBS-SJLPKXTDSA-N 1 3 364.538 2.022 20 0 FEADHO CCn1cc([C@@H](C)NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cn1 ZINC000459120860 560668072 /nfs/dbraw/zinc/66/80/72/560668072.db2.gz ZSUSPHSSEDRIBS-SJLPKXTDSA-N 1 3 364.538 2.022 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCC(OC)CC1 ZINC000459287017 560677812 /nfs/dbraw/zinc/67/78/12/560677812.db2.gz QSHPTMJZIGZZPU-ADKAHSJRSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCC(OC)CC1 ZINC000459287017 560677813 /nfs/dbraw/zinc/67/78/13/560677813.db2.gz QSHPTMJZIGZZPU-ADKAHSJRSA-N 1 3 354.539 2.002 20 0 FEADHO CCO[C@@H]1C[C@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000459441501 560686459 /nfs/dbraw/zinc/68/64/59/560686459.db2.gz WEQUSBBIZLWRNF-RDGPPVDQSA-N 1 3 350.528 2.122 20 0 FEADHO CCO[C@@H]1C[C@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000459441501 560686460 /nfs/dbraw/zinc/68/64/60/560686460.db2.gz WEQUSBBIZLWRNF-RDGPPVDQSA-N 1 3 350.528 2.122 20 0 FEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000464526975 560844392 /nfs/dbraw/zinc/84/43/92/560844392.db2.gz NJCHLCYWMDAKQA-HXUWFJFHSA-N 1 3 374.529 2.126 20 0 FEADHO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000464526975 560844393 /nfs/dbraw/zinc/84/43/93/560844393.db2.gz NJCHLCYWMDAKQA-HXUWFJFHSA-N 1 3 374.529 2.126 20 0 FEADHO CCN1CCC[C@@H](NC(=O)N2CCC(OCC[NH+](CC)CC)CC2)C1 ZINC000465707782 560871402 /nfs/dbraw/zinc/87/14/02/560871402.db2.gz AEZLTPSTUIFTGS-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000465751064 560872178 /nfs/dbraw/zinc/87/21/78/560872178.db2.gz IRHMJLFJOYGZJI-RLLQIKCJSA-N 1 3 354.498 2.478 20 0 FEADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)C1 ZINC000465751064 560872179 /nfs/dbraw/zinc/87/21/79/560872179.db2.gz IRHMJLFJOYGZJI-RLLQIKCJSA-N 1 3 354.498 2.478 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CCN1C ZINC000465896979 560875501 /nfs/dbraw/zinc/87/55/01/560875501.db2.gz SKGKYGXJQBFQRT-AEFFLSMTSA-N 1 3 362.518 2.299 20 0 FEADHO C[NH+](C)C1(CNC(=O)N2CCN(C3CCCC3)CC2)Cc2ccccc2C1 ZINC000466003475 560877840 /nfs/dbraw/zinc/87/78/40/560877840.db2.gz AVHILFMUDICIDL-UHFFFAOYSA-N 1 3 370.541 2.355 20 0 FEADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000468478934 560931211 /nfs/dbraw/zinc/93/12/11/560931211.db2.gz NEYJJMCQLHNTDB-FQEVSTJZSA-N 1 3 372.557 2.435 20 0 FEADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000468478934 560931212 /nfs/dbraw/zinc/93/12/12/560931212.db2.gz NEYJJMCQLHNTDB-FQEVSTJZSA-N 1 3 372.557 2.435 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COC(C)(C)C(F)(F)F ZINC000469345943 560953018 /nfs/dbraw/zinc/95/30/18/560953018.db2.gz XNQNTEZCNFZUME-CQSZACIVSA-N 1 3 367.456 2.218 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COC(C)(C)C(F)(F)F ZINC000469345943 560953019 /nfs/dbraw/zinc/95/30/19/560953019.db2.gz XNQNTEZCNFZUME-CQSZACIVSA-N 1 3 367.456 2.218 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@@H]3C[NH+]4CCC3CC4)CC2)c1 ZINC000469969736 560970143 /nfs/dbraw/zinc/97/01/43/560970143.db2.gz RHQZEXSJFYCBQL-OAQYLSRUSA-N 1 3 370.541 2.060 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)N2CCCN([C@H](C)CO)CC2)cc1)C1CC1 ZINC000470086708 560974028 /nfs/dbraw/zinc/97/40/28/560974028.db2.gz JOQOCKNHFWSXMN-QGZVFWFLSA-N 1 3 359.514 2.200 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)N2CCCN([C@H](C)CO)CC2)cc1)C1CC1 ZINC000470086708 560974029 /nfs/dbraw/zinc/97/40/29/560974029.db2.gz JOQOCKNHFWSXMN-QGZVFWFLSA-N 1 3 359.514 2.200 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)c3ccc4c(c3)CNC4)CCCC2)CC1 ZINC000470364768 560979610 /nfs/dbraw/zinc/97/96/10/560979610.db2.gz NACQVPXISRHYMT-UHFFFAOYSA-N 1 3 357.498 2.443 20 0 FEADHO CCN(CCC[NH+](C)C)C(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000470396836 560980678 /nfs/dbraw/zinc/98/06/78/560980678.db2.gz HODCHDFMTBPZKF-UHFFFAOYSA-N 1 3 350.511 2.264 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000470738119 560988260 /nfs/dbraw/zinc/98/82/60/560988260.db2.gz SVSWHLKKXFXTDU-UXHICEINSA-N 1 3 358.530 2.287 20 0 FEADHO Cc1cc(Br)cn2c(CNCCOCC[NH+](C)C)cnc12 ZINC000471552288 561007106 /nfs/dbraw/zinc/00/71/06/561007106.db2.gz RPOMJUFVXKOOLZ-UHFFFAOYSA-N 1 3 355.280 2.073 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1)C1CC1 ZINC000472100184 561018114 /nfs/dbraw/zinc/01/81/14/561018114.db2.gz OVZWZAATYCKTRE-SFHVURJKSA-N 1 3 372.557 2.427 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1)C1CC1 ZINC000472100184 561018115 /nfs/dbraw/zinc/01/81/15/561018115.db2.gz OVZWZAATYCKTRE-SFHVURJKSA-N 1 3 372.557 2.427 20 0 FEADHO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000472668082 561032377 /nfs/dbraw/zinc/03/23/77/561032377.db2.gz FLHQTFJVVWMPME-IRXDYDNUSA-N 1 3 367.559 2.395 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nnc(C(C)C)o1 ZINC000473733281 561056657 /nfs/dbraw/zinc/05/66/57/561056657.db2.gz SDESJUKSXDLGOB-MRXNPFEDSA-N 1 3 365.522 2.000 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nnc(C(C)C)o1 ZINC000473733281 561056658 /nfs/dbraw/zinc/05/66/58/561056658.db2.gz SDESJUKSXDLGOB-MRXNPFEDSA-N 1 3 365.522 2.000 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000475963444 561108510 /nfs/dbraw/zinc/10/85/10/561108510.db2.gz YANOPEMHYMCIOS-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(Cc4ccco4)C3)CC2)CC1 ZINC000529862593 562389095 /nfs/dbraw/zinc/38/90/95/562389095.db2.gz POGMFDGBNOOLTR-UHFFFAOYSA-N 1 3 359.514 2.477 20 0 FEADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247698 562403937 /nfs/dbraw/zinc/40/39/37/562403937.db2.gz CEWLOKORYKAYSX-LJQANCHMSA-N 1 3 369.513 2.475 20 0 FEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530573296 562416465 /nfs/dbraw/zinc/41/64/65/562416465.db2.gz CXDVDYJUEHVNHA-SIKLNZKXSA-N 1 3 373.541 2.252 20 0 FEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530573296 562416466 /nfs/dbraw/zinc/41/64/66/562416466.db2.gz CXDVDYJUEHVNHA-SIKLNZKXSA-N 1 3 373.541 2.252 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)C[C@@H](C)O1 ZINC000530723066 562421874 /nfs/dbraw/zinc/42/18/74/562421874.db2.gz RJMXQERXGSNEDB-HZPDHXFCSA-N 1 3 361.465 2.385 20 0 FEADHO COc1ccc(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)c(Cl)c1 ZINC000531622264 562451952 /nfs/dbraw/zinc/45/19/52/562451952.db2.gz DYJGALPWGWTWBR-UHFFFAOYSA-N 1 3 370.925 2.026 20 0 FEADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)OCCCO2 ZINC000531703929 562454460 /nfs/dbraw/zinc/45/44/60/562454460.db2.gz HFMRDMVUFQRMKL-DOTOQJQBSA-N 1 3 361.486 2.086 20 0 FEADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000536308500 562574145 /nfs/dbraw/zinc/57/41/45/562574145.db2.gz LMPPHMNRODQFBD-PWRODBHTSA-N 1 3 355.526 2.481 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)NC[C@H](CC)[NH+]2CCCC2)CC1 ZINC000541209279 562606058 /nfs/dbraw/zinc/60/60/58/562606058.db2.gz HVQVMQQZVKTRBH-AEFFLSMTSA-N 1 3 367.534 2.031 20 0 FEADHO CC(=O)Nc1ccc([C@@H](C)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1 ZINC000541917355 562623177 /nfs/dbraw/zinc/62/31/77/562623177.db2.gz LHNJLCZFOXNUGC-BEFAXECRSA-N 1 3 362.518 2.388 20 0 FEADHO CN(C)C[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)c1ccc(F)cc1 ZINC000806595159 674382507 /nfs/dbraw/zinc/38/25/07/674382507.db2.gz RNCKNMCAIMNGIH-MRXNPFEDSA-N 1 3 354.539 2.480 20 0 FEADHO [NH3+]Cc1ccc(CNC(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000563091908 568098891 /nfs/dbraw/zinc/09/88/91/568098891.db2.gz GJBUOUDCQSATLR-UHFFFAOYSA-N 1 3 362.543 2.306 20 0 FEADHO [NH3+]CC1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000629508783 676857798 /nfs/dbraw/zinc/85/77/98/676857798.db2.gz BTNHUXOHLKSEIW-OAHLLOKOSA-N 1 3 352.276 2.373 20 0 FEADHO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810614408 674553157 /nfs/dbraw/zinc/55/31/57/674553157.db2.gz DCYXAAFTLTVKNH-IBGZPJMESA-N 1 3 350.482 2.184 20 0 FEADHO CC[NH+](CC)CC(C)(C)COC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000813150549 674724438 /nfs/dbraw/zinc/72/44/38/674724438.db2.gz GTEMJTMBINKRMQ-NWDGAFQWSA-N 1 3 352.397 2.355 20 0 FEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000564528415 675032066 /nfs/dbraw/zinc/03/20/66/675032066.db2.gz SXJXINDZHUVZAY-ROUUACIJSA-N 1 3 350.551 2.480 20 0 FEADHO COc1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc2c1OCO2 ZINC000062253151 670399457 /nfs/dbraw/zinc/39/94/57/670399457.db2.gz DEKNGJSHFULLHH-GJZGRUSLSA-N 1 3 350.459 2.403 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](OC)C[C@H]3C)CC2)CC1 ZINC000565370844 675115851 /nfs/dbraw/zinc/11/58/51/675115851.db2.gz AAKGRAVTBSXXLZ-VQIMIIECSA-N 1 3 351.535 2.209 20 0 FEADHO C[NH+](C)CCOc1cnccc1CNC[C@@H](O)Cc1cccc(Cl)c1 ZINC000570202297 670677674 /nfs/dbraw/zinc/67/76/74/670677674.db2.gz FRSYWTBVXOPMCD-SFHVURJKSA-N 1 3 363.889 2.369 20 0 FEADHO COc1ccc(COC[C@H](O)CNC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000574150516 671207731 /nfs/dbraw/zinc/20/77/31/671207731.db2.gz CETXBYJCPJKLIT-RBUKOAKNSA-N 1 3 350.503 2.283 20 0 FEADHO COc1ccc(COC[C@H](O)CNC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000574150516 671207733 /nfs/dbraw/zinc/20/77/33/671207733.db2.gz CETXBYJCPJKLIT-RBUKOAKNSA-N 1 3 350.503 2.283 20 0 FEADHO COc1ccc(COC[C@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000574150516 671207735 /nfs/dbraw/zinc/20/77/35/671207735.db2.gz CETXBYJCPJKLIT-RBUKOAKNSA-N 1 3 350.503 2.283 20 0 FEADHO CO[C@H]1CCCC[C@@H]1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000574696031 671269305 /nfs/dbraw/zinc/26/93/05/671269305.db2.gz LHYJZCFBFOHHGT-ROUUACIJSA-N 1 3 351.535 2.258 20 0 FEADHO O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CNCc2ccccc21 ZINC000566167661 675188535 /nfs/dbraw/zinc/18/85/35/675188535.db2.gz DPZGQSJGUBLORM-GOSISDBHSA-N 1 3 359.539 2.351 20 0 FEADHO C[C@@]1(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)CCC[NH2+]1 ZINC000577955187 671631058 /nfs/dbraw/zinc/63/10/58/671631058.db2.gz GRSVYNJGKFRRGM-IBGZPJMESA-N 1 3 365.905 2.442 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C3(OC)CCC3)CC2)CC1 ZINC000583881753 672135213 /nfs/dbraw/zinc/13/52/13/672135213.db2.gz KKPNBQPWRNXRGQ-MRXNPFEDSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584528432 672196835 /nfs/dbraw/zinc/19/68/35/672196835.db2.gz VLXWOZREYMUKGD-LUKYLMHMSA-N 1 3 354.539 2.033 20 0 FEADHO C[NH+](C)[C@H]1C[C@@H](CNCc2ncc(I)s2)C1 ZINC000594514815 673094591 /nfs/dbraw/zinc/09/45/91/673094591.db2.gz PJOJBEHHVNBUHU-DTORHVGOSA-N 1 3 351.257 2.178 20 0 FEADHO COC(=O)CCCN1CCC([NH2+][C@@H]2CCN(CC3CCCC3)C2)CC1 ZINC000462777758 673282300 /nfs/dbraw/zinc/28/23/00/673282300.db2.gz MKWHTISKIUBTJK-LJQANCHMSA-N 1 3 351.535 2.258 20 0 FEADHO CN1CCC(NC(=S)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000819024811 675253623 /nfs/dbraw/zinc/25/36/23/675253623.db2.gz VURAEVSNLRDPLN-PKOBYXMFSA-N 1 3 358.555 2.161 20 0 FEADHO CN1CCC(NC(=S)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC000819024811 675253624 /nfs/dbraw/zinc/25/36/24/675253624.db2.gz VURAEVSNLRDPLN-PKOBYXMFSA-N 1 3 358.555 2.161 20 0 FEADHO CCC[C@H](C)[C@@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568223246 675359924 /nfs/dbraw/zinc/35/99/24/675359924.db2.gz LLCGAVBOJJBPMM-QFBILLFUSA-N 1 3 353.551 2.096 20 0 FEADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000624119569 676565619 /nfs/dbraw/zinc/56/56/19/676565619.db2.gz FGGPACBOQGCJBM-CVEARBPZSA-N 1 3 353.532 2.319 20 0 FEADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@H](O)CC3(O)CCC3)C2)s1 ZINC000625402119 676645563 /nfs/dbraw/zinc/64/55/63/676645563.db2.gz FWXUCADOCDVKLW-DLBZAZTESA-N 1 3 352.544 2.476 20 0 FEADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@H](O)CC3(O)CCC3)C2)s1 ZINC000625402119 676645565 /nfs/dbraw/zinc/64/55/65/676645565.db2.gz FWXUCADOCDVKLW-DLBZAZTESA-N 1 3 352.544 2.476 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CO)CCC(C)C)CC2)CC1 ZINC000628710519 676815118 /nfs/dbraw/zinc/81/51/18/676815118.db2.gz DUJDLDGHGMPMOO-SFHVURJKSA-N 1 3 353.551 2.096 20 0 FEADHO C[NH+](C)CCCS(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000632311466 676987319 /nfs/dbraw/zinc/98/73/19/676987319.db2.gz DDPGSTYNRDACOM-GOSISDBHSA-N 1 3 367.559 2.158 20 0 FEADHO CN(Cc1cnn2cc(Br)cnc12)CC1CC[NH+](C)CC1 ZINC000638028396 677138204 /nfs/dbraw/zinc/13/82/04/677138204.db2.gz DYRFBEPRAARIDY-UHFFFAOYSA-N 1 3 352.280 2.265 20 0 FEADHO COC[C@@]1(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CCCCN1 ZINC000638079173 677139400 /nfs/dbraw/zinc/13/94/00/677139400.db2.gz BUJLFPWESVLWJS-GOSISDBHSA-N 1 3 369.893 2.378 20 0 FEADHO COC[C@@]1(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCCCN1 ZINC000638086909 677139600 /nfs/dbraw/zinc/13/96/00/677139600.db2.gz XEUQJCIKPIDFSX-AZUAARDMSA-N 1 3 351.535 2.116 20 0 FEADHO O=c1c(CN2CCC(OCC[NH+]3CCCC3)CC2)cccn1C(F)F ZINC000638126380 677140577 /nfs/dbraw/zinc/14/05/77/677140577.db2.gz UPYXFFPBNYZZPR-UHFFFAOYSA-N 1 3 355.429 2.320 20 0 FEADHO CN(C)C[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000638662971 677148639 /nfs/dbraw/zinc/14/86/39/677148639.db2.gz CNGXNPWFLJAVHV-CZUORRHYSA-N 1 3 374.312 2.481 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000638728234 677149433 /nfs/dbraw/zinc/14/94/33/677149433.db2.gz LIEYVHFARUPYPP-MSOLQXFVSA-N 1 3 351.535 2.116 20 0 FEADHO CCO[C@H]1C[C@@](N)(C(=O)N2CCC(CC)([NH+]3CCCC3)CC2)C1(C)C ZINC000638862009 677151327 /nfs/dbraw/zinc/15/13/27/677151327.db2.gz JMQMVEPRBIUCFY-OXJNMPFZSA-N 1 3 351.535 2.386 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=S)NCC1CC[NH+](C)CC1 ZINC000760479080 680689344 /nfs/dbraw/zinc/68/93/44/680689344.db2.gz ODHMGTNUJUGNGU-UHFFFAOYSA-N 1 3 366.550 2.406 20 0 FEADHO COc1cc(NC(=O)CC[NH2+][C@H]2C[C@@H](N)C2(C)C)c(OC)cc1Cl ZINC000641801153 677216022 /nfs/dbraw/zinc/21/60/22/677216022.db2.gz AQEBNSXKYMMUHH-CABCVRRESA-N 1 3 355.866 2.401 20 0 FEADHO COC[C@@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000643470364 677226943 /nfs/dbraw/zinc/22/69/43/677226943.db2.gz IVMAZNNBVDGWLS-UKRRQHHQSA-N 1 3 359.392 2.154 20 0 FEADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000647909232 677308340 /nfs/dbraw/zinc/30/83/40/677308340.db2.gz XNHUICHERROSNB-MRXNPFEDSA-N 1 3 353.457 2.368 20 0 FEADHO C[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CCN1Cc1ccccc1 ZINC000649344692 677329846 /nfs/dbraw/zinc/32/98/46/677329846.db2.gz MOYYHWGPBOZBOW-DOTOQJQBSA-N 1 3 351.441 2.354 20 0 FEADHO FC1(F)Oc2ccc(CCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2O1 ZINC000650760403 677388451 /nfs/dbraw/zinc/38/84/51/677388451.db2.gz CIZKISHCAHWMPD-RBSFLKMASA-N 1 3 354.397 2.297 20 0 FEADHO CN(CC1CCCCC1)C(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347519 677480740 /nfs/dbraw/zinc/48/07/40/677480740.db2.gz CVYASMMEJNZQTB-IPMKNSEASA-N 1 3 351.535 2.243 20 0 FEADHO C[C@H](C(=O)NCCc1cccs1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346926 677480849 /nfs/dbraw/zinc/48/08/49/677480849.db2.gz LMTVMLWTPVPLBX-HPFXQQBRSA-N 1 3 365.543 2.014 20 0 FEADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(C[C@H]1COCCO1)C(F)(F)F ZINC000659296989 678163428 /nfs/dbraw/zinc/16/34/28/678163428.db2.gz JWWMDQZNIBTOKC-GJZGRUSLSA-N 1 3 358.360 2.255 20 0 FEADHO O=C(Nc1cccc2c1CC[NH2+]C2)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000659297708 678163433 /nfs/dbraw/zinc/16/34/33/678163433.db2.gz YCFXZIFRXRKYTJ-OCCSQVGLSA-N 1 3 358.360 2.255 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N(C)CC(C)(C)[NH3+])c1cccc(OC)c1 ZINC000659429991 678176427 /nfs/dbraw/zinc/17/64/27/678176427.db2.gz TVBUMUAPWFWCIU-QGZVFWFLSA-N 1 3 350.507 2.457 20 0 FEADHO CCc1nsc(N2CCCN(Cc3cccc4c3CC[NH2+]C4)CC2)n1 ZINC000662265856 678598231 /nfs/dbraw/zinc/59/82/31/678598231.db2.gz WGEDBKCOXMRSAD-UHFFFAOYSA-N 1 3 357.527 2.459 20 0 FEADHO O=S(=O)(Nc1ccccc1)[C@@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000662309594 678602986 /nfs/dbraw/zinc/60/29/86/678602986.db2.gz AXHFQGDGDUSWHE-GOSISDBHSA-N 1 3 351.516 2.282 20 0 FEADHO C[NH+](C)CCC[C@H]1CN(CC2CCN(C(=O)C(C)(C)C)CC2)CCO1 ZINC000662326018 678605721 /nfs/dbraw/zinc/60/57/21/678605721.db2.gz SZJAFAUOLHGAOM-SFHVURJKSA-N 1 3 353.551 2.314 20 0 FEADHO C[NH+](C)C1(CNC(=O)c2cc3c(s2)CCNC3)Cc2ccccc2C1 ZINC000662474195 678626737 /nfs/dbraw/zinc/62/67/37/678626737.db2.gz UFXNRDKFVFNAGS-UHFFFAOYSA-N 1 3 355.507 2.223 20 0 FEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000662865758 678668185 /nfs/dbraw/zinc/66/81/85/678668185.db2.gz GGOGRSDHQPXSOU-HOPMXRPOSA-N 1 3 351.441 2.399 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1ccc(Cl)cc1 ZINC000663409825 678732672 /nfs/dbraw/zinc/73/26/72/678732672.db2.gz MZIWIQMUCCENSM-HNNXBMFYSA-N 1 3 354.926 2.454 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1ccc(Cl)cc1 ZINC000663409825 678732676 /nfs/dbraw/zinc/73/26/76/678732676.db2.gz MZIWIQMUCCENSM-HNNXBMFYSA-N 1 3 354.926 2.454 20 0 FEADHO CC(C)O[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000664678300 678913063 /nfs/dbraw/zinc/91/30/63/678913063.db2.gz QUAIXGQIJYUJAI-BBWFWOEESA-N 1 3 356.555 2.150 20 0 FEADHO CC(C)O[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000664678300 678913065 /nfs/dbraw/zinc/91/30/65/678913065.db2.gz QUAIXGQIJYUJAI-BBWFWOEESA-N 1 3 356.555 2.150 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC12CCSCC2 ZINC000665164893 678943886 /nfs/dbraw/zinc/94/38/86/678943886.db2.gz RQDWUHGPZGRBMQ-HOTGVXAUSA-N 1 3 356.580 2.091 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC12CCSCC2 ZINC000665164893 678943889 /nfs/dbraw/zinc/94/38/89/678943889.db2.gz RQDWUHGPZGRBMQ-HOTGVXAUSA-N 1 3 356.580 2.091 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2cc(F)c(F)cc21 ZINC000665637658 678974165 /nfs/dbraw/zinc/97/41/65/678974165.db2.gz KHJZZTLMJNLBRP-ZDUSSCGKSA-N 1 3 354.445 2.309 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2cc(F)c(F)cc21 ZINC000665637658 678974169 /nfs/dbraw/zinc/97/41/69/678974169.db2.gz KHJZZTLMJNLBRP-ZDUSSCGKSA-N 1 3 354.445 2.309 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1c(F)cccc1F ZINC000665763007 678982638 /nfs/dbraw/zinc/98/26/38/678982638.db2.gz XCZJJFVDTBQLGD-AWEZNQCLSA-N 1 3 356.461 2.378 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1c(F)cccc1F ZINC000665763007 678982639 /nfs/dbraw/zinc/98/26/39/678982639.db2.gz XCZJJFVDTBQLGD-AWEZNQCLSA-N 1 3 356.461 2.378 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(CCC[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000981199992 680220798 /nfs/dbraw/zinc/22/07/98/680220798.db2.gz IGDZXYLIVUQVLV-CEXWTWQISA-N 1 3 351.535 2.068 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(CCC[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000981199992 680220801 /nfs/dbraw/zinc/22/08/01/680220801.db2.gz IGDZXYLIVUQVLV-CEXWTWQISA-N 1 3 351.535 2.068 20 0 FEADHO CCc1nc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001023990540 680276564 /nfs/dbraw/zinc/27/65/64/680276564.db2.gz AWLXVKNRKXKHBO-BFYDXBDKSA-N 1 3 364.559 2.374 20 0 FEADHO CCc1nc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001023990540 680276567 /nfs/dbraw/zinc/27/65/67/680276567.db2.gz AWLXVKNRKXKHBO-BFYDXBDKSA-N 1 3 364.559 2.374 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNCc3nc(C)c(C)s3)C2)CC[N@@H+]1C ZINC000983713872 680323463 /nfs/dbraw/zinc/32/34/63/680323463.db2.gz MYHZWZVZJMUYIB-LUKYLMHMSA-N 1 3 364.559 2.475 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNCc3nc(C)c(C)s3)C2)CC[N@H+]1C ZINC000983713872 680323466 /nfs/dbraw/zinc/32/34/66/680323466.db2.gz MYHZWZVZJMUYIB-LUKYLMHMSA-N 1 3 364.559 2.475 20 0 FEADHO COc1nscc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001034648080 680437054 /nfs/dbraw/zinc/43/70/54/680437054.db2.gz XMHZLULVUJKOSD-DTZQCDIJSA-N 1 3 366.531 2.009 20 0 FEADHO COc1nscc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001034648080 680437056 /nfs/dbraw/zinc/43/70/56/680437056.db2.gz XMHZLULVUJKOSD-DTZQCDIJSA-N 1 3 366.531 2.009 20 0 FEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(F)(F)c1nccs1 ZINC000756446217 680479544 /nfs/dbraw/zinc/47/95/44/680479544.db2.gz IZMVOTUIGJYRJX-CYBMUJFWSA-N 1 3 360.474 2.109 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CCc3scnc3C)C2)CC[N@@H+]1C ZINC001007368074 680637612 /nfs/dbraw/zinc/63/76/12/680637612.db2.gz AJVBHAMXWLHYOZ-YESZJQIVSA-N 1 3 364.559 2.305 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CCc3scnc3C)C2)CC[N@H+]1C ZINC001007368074 680637613 /nfs/dbraw/zinc/63/76/13/680637613.db2.gz AJVBHAMXWLHYOZ-YESZJQIVSA-N 1 3 364.559 2.305 20 0 FEADHO CC1CCN([C@H](CNC(=O)CO[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000844165792 681042844 /nfs/dbraw/zinc/04/28/44/681042844.db2.gz POGZIULNWJABSI-IAGOWNOFSA-N 1 3 365.543 2.406 20 0 FEADHO CN(C[C@](C)(O)C[N@H+](C)CC[C@H]1CCCCN1C)C(=O)OC(C)(C)C ZINC000844301311 681049205 /nfs/dbraw/zinc/04/92/05/681049205.db2.gz VHMJCBZXOFXFMF-VQIMIIECSA-N 1 3 357.539 2.411 20 0 FEADHO CN(C[C@](C)(O)C[N@@H+](C)CC[C@H]1CCCCN1C)C(=O)OC(C)(C)C ZINC000844301311 681049206 /nfs/dbraw/zinc/04/92/06/681049206.db2.gz VHMJCBZXOFXFMF-VQIMIIECSA-N 1 3 357.539 2.411 20 0 FEADHO CC[N@H+](C)C[C@H](O)CN[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000846824344 681295163 /nfs/dbraw/zinc/29/51/63/681295163.db2.gz MKHCQFUWAYQDHY-FRQCXROJSA-N 1 3 357.539 2.362 20 0 FEADHO CC[N@@H+](C)C[C@H](O)CN[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000846824344 681295167 /nfs/dbraw/zinc/29/51/67/681295167.db2.gz MKHCQFUWAYQDHY-FRQCXROJSA-N 1 3 357.539 2.362 20 0 FEADHO CC(C)N1CCN(CCC[NH2+][C@](C)(CO)Cc2ccccc2F)CC1 ZINC000933432627 681410852 /nfs/dbraw/zinc/41/08/52/681410852.db2.gz VVGOPSUJBBXUJP-FQEVSTJZSA-N 1 3 351.510 2.125 20 0 FEADHO C[C@H]1CCC[C@@](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)(N(C)C)C1 ZINC000849111482 681655727 /nfs/dbraw/zinc/65/57/27/681655727.db2.gz PSVHTQFYLLGGDS-KBXCAEBGSA-N 1 3 355.527 2.136 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc(Cl)n1 ZINC000852925073 682357600 /nfs/dbraw/zinc/35/76/00/682357600.db2.gz YLWMJROJGBFABE-JKSUJKDBSA-N 1 3 368.909 2.003 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000854211782 682524690 /nfs/dbraw/zinc/52/46/90/682524690.db2.gz OLHQFTQBFVEIRA-BPUTZDHNSA-N 1 3 350.910 2.262 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000854211782 682524693 /nfs/dbraw/zinc/52/46/93/682524693.db2.gz OLHQFTQBFVEIRA-BPUTZDHNSA-N 1 3 350.910 2.262 20 0 FEADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC000856410769 682777415 /nfs/dbraw/zinc/77/74/15/682777415.db2.gz OTDJXRULGXXITH-GOSISDBHSA-N 1 3 351.535 2.354 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N(C)CCCN(C)Cc1ccco1 ZINC000795166638 683025526 /nfs/dbraw/zinc/02/55/26/683025526.db2.gz XBQLBRMXSPXSFT-INIZCTEOSA-N 1 3 352.548 2.392 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=S)N(C)CCCN(C)Cc1ccco1 ZINC000795166638 683025529 /nfs/dbraw/zinc/02/55/29/683025529.db2.gz XBQLBRMXSPXSFT-INIZCTEOSA-N 1 3 352.548 2.392 20 0 FEADHO Brc1ccc2c(c1)[C@@H](NC[C@H]1CC3(C[NH2+]C3)CO1)CCO2 ZINC000923432164 684280728 /nfs/dbraw/zinc/28/07/28/684280728.db2.gz JUSUDNLPGXGUPS-OCCSQVGLSA-N 1 3 353.260 2.241 20 0 FEADHO CN1CCC(O)(C[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000925113017 684524708 /nfs/dbraw/zinc/52/47/08/684524708.db2.gz HSXYBXNKEYWXBA-HNNXBMFYSA-N 1 3 354.292 2.268 20 0 FEADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCS(=O)(=O)Cc1ccccc1 ZINC000925484254 684565387 /nfs/dbraw/zinc/56/53/87/684565387.db2.gz DCYKCRRJXBLBBB-SQNIBIBYSA-N 1 3 350.528 2.358 20 0 FEADHO [NH3+]CCC[C@H](NCCNS(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000925493912 684565981 /nfs/dbraw/zinc/56/59/81/684565981.db2.gz MVCPRQHWUPIATD-IBGZPJMESA-N 1 3 361.511 2.176 20 0 FEADHO O=C(Nc1ccc2c(c1)CNCCO2)c1csc(C2CC[NH2+]CC2)n1 ZINC000870944044 684774385 /nfs/dbraw/zinc/77/43/85/684774385.db2.gz ASTGWNCGXRZLOP-UHFFFAOYSA-N 1 3 358.467 2.344 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ncc(Cl)s3)CC2)CC1 ZINC000872874832 685027731 /nfs/dbraw/zinc/02/77/31/685027731.db2.gz PZZFMFLSACNKCE-UHFFFAOYSA-N 1 3 371.938 2.154 20 0 FEADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cccc(OC(F)(F)F)c1 ZINC000873232507 685100712 /nfs/dbraw/zinc/10/07/12/685100712.db2.gz RWSQMJQVDOBWAR-OLZOCXBDSA-N 1 3 359.392 2.433 20 0 FEADHO Cc1csc([C@@H]2CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2)n1 ZINC000875713797 686069112 /nfs/dbraw/zinc/06/91/12/686069112.db2.gz PNWUPZLVPPRFIA-GOEBONIOSA-N 1 3 367.563 2.222 20 0 FEADHO Cc1csc([C@@H]2CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2)n1 ZINC000875713797 686069118 /nfs/dbraw/zinc/06/91/18/686069118.db2.gz PNWUPZLVPPRFIA-GOEBONIOSA-N 1 3 367.563 2.222 20 0 FEADHO COC[C@]1(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCCCN1 ZINC000876735722 686256954 /nfs/dbraw/zinc/25/69/54/686256954.db2.gz COKFASBPMYWCDC-FQEVSTJZSA-N 1 3 351.535 2.306 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876876075 686286026 /nfs/dbraw/zinc/28/60/26/686286026.db2.gz JQXFSKDQELQTLF-GTBONMDNSA-N 1 3 351.441 2.411 20 0 FEADHO CCOC(=O)N1CCC(C)(CN2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000877607311 686421502 /nfs/dbraw/zinc/42/15/02/686421502.db2.gz DEOSCNFZNQQOKD-UHFFFAOYSA-N 1 3 353.507 2.042 20 0 FEADHO COCC[C@H](N)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000884310569 687843211 /nfs/dbraw/zinc/84/32/11/687843211.db2.gz AXZWMNQCFWJAGB-KRWDZBQOSA-N 1 3 353.894 2.128 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](COC)C(C)C)CC2)CC1 ZINC000885798872 688160892 /nfs/dbraw/zinc/16/08/92/688160892.db2.gz PDULRMDPYVYVOQ-SFHVURJKSA-N 1 3 353.551 2.218 20 0 FEADHO Cc1ncc(CNC(=O)CCN2CCN(c3cc[nH+]cc3)C[C@@H]2C)s1 ZINC000887136534 688371237 /nfs/dbraw/zinc/37/12/37/688371237.db2.gz WINBWPMSEXIAFY-AWEZNQCLSA-N 1 3 359.499 2.064 20 0 FEADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000892610748 689217994 /nfs/dbraw/zinc/21/79/94/689217994.db2.gz NCVZGTNOZCQULX-ZWKOTPCHSA-N 1 3 352.450 2.350 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCSC[C@H]1C1CC1 ZINC000895666093 689751619 /nfs/dbraw/zinc/75/16/19/689751619.db2.gz KAEQVFUTCLJZIM-RDJZCZTQSA-N 1 3 356.580 2.186 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCSC[C@H]1C1CC1 ZINC000895666093 689751621 /nfs/dbraw/zinc/75/16/21/689751621.db2.gz KAEQVFUTCLJZIM-RDJZCZTQSA-N 1 3 356.580 2.186 20 0 FEADHO CN(C)C[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000897691119 690063540 /nfs/dbraw/zinc/06/35/40/690063540.db2.gz FKGUULOPTJUCHL-SFHVURJKSA-N 1 3 365.905 2.170 20 0 FEADHO CN1CCN([C@@H](CN[C@@H]2CC[NH2+]CC(C)(C)C2)c2cccs2)CC1 ZINC000902317655 690757421 /nfs/dbraw/zinc/75/74/21/690757421.db2.gz DYYUQWPYYCGKSS-SJORKVTESA-N 1 3 350.576 2.404 20 0 FEADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1nc(-c3ccsc3)oc1C)C2 ZINC000903493389 690900653 /nfs/dbraw/zinc/90/06/53/690900653.db2.gz RCLLVKNIGKRUTM-IYOUNJFTSA-N 1 3 361.467 2.424 20 0 FEADHO FC(F)(F)c1ccn([C@@H]2CCCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903756905 690970160 /nfs/dbraw/zinc/97/01/60/690970160.db2.gz XCNVGZWMNCCLKX-FMKPAKJESA-N 1 3 358.408 2.307 20 0 FEADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000904321324 691019548 /nfs/dbraw/zinc/01/95/48/691019548.db2.gz WMBWMGULIJRYAR-KRWDZBQOSA-N 1 3 362.543 2.397 20 0 FEADHO C[C@]1(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CCCNC1 ZINC000904380361 691023671 /nfs/dbraw/zinc/02/36/71/691023671.db2.gz BDGYJLPOQXGGPY-JBXGNFEISA-N 1 3 359.436 2.107 20 0 FEADHO C[C@]1(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CCCNC1 ZINC000904380361 691023672 /nfs/dbraw/zinc/02/36/72/691023672.db2.gz BDGYJLPOQXGGPY-JBXGNFEISA-N 1 3 359.436 2.107 20 0 FEADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)CC1(O)CCCCC1 ZINC000905073556 691063907 /nfs/dbraw/zinc/06/39/07/691063907.db2.gz DMEYEDFERIYDQP-SFHVURJKSA-N 1 3 350.503 2.163 20 0 FEADHO C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905339014 691104094 /nfs/dbraw/zinc/10/40/94/691104094.db2.gz MHCPOWTUWPKPDC-INIZCTEOSA-N 1 3 365.543 2.131 20 0 FEADHO CC(C)(C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCCCC1 ZINC000907047725 691380037 /nfs/dbraw/zinc/38/00/37/691380037.db2.gz RLEGMGHGKVNKOE-MSOLQXFVSA-N 1 3 351.535 2.135 20 0 FEADHO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000800985195 674095976 /nfs/dbraw/zinc/09/59/76/674095976.db2.gz FICGJIHBSNOZMH-GOEBONIOSA-N 1 3 355.523 2.067 20 0 FEADHO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000800985195 674095978 /nfs/dbraw/zinc/09/59/78/674095978.db2.gz FICGJIHBSNOZMH-GOEBONIOSA-N 1 3 355.523 2.067 20 0 FEADHO COc1ccccc1CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051239164 540427854 /nfs/dbraw/zinc/42/78/54/540427854.db2.gz LQUQUBZWAZCXHU-UHFFFAOYSA-N 1 3 374.529 2.096 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000051280871 540429445 /nfs/dbraw/zinc/42/94/45/540429445.db2.gz GVNIMIWWYWJLFE-PMACEKPBSA-N 1 3 356.514 2.400 20 0 FEADHO C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(CN2CCOCC2)CC1 ZINC000051959051 540449803 /nfs/dbraw/zinc/44/98/03/540449803.db2.gz PMBVSKLNAQQZPP-SFHVURJKSA-N 1 3 363.546 2.426 20 0 FEADHO CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC000069920443 541723624 /nfs/dbraw/zinc/72/36/24/541723624.db2.gz JLHOKPVIZFJWLZ-OAHLLOKOSA-N 1 3 372.513 2.196 20 0 FEADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000072528372 541827132 /nfs/dbraw/zinc/82/71/32/541827132.db2.gz AVCWGIZRLHJNOY-LJQANCHMSA-N 1 3 363.546 2.402 20 0 FEADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000072528372 541827137 /nfs/dbraw/zinc/82/71/37/541827137.db2.gz AVCWGIZRLHJNOY-LJQANCHMSA-N 1 3 363.546 2.402 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000072844757 541879306 /nfs/dbraw/zinc/87/93/06/541879306.db2.gz CQJJDJDHEJNJBV-UHFFFAOYSA-N 1 3 370.541 2.250 20 0 FEADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000074139183 542043760 /nfs/dbraw/zinc/04/37/60/542043760.db2.gz VWWNBGBJGYNYPA-OAQYLSRUSA-N 1 3 372.557 2.041 20 0 FEADHO C[NH+](C)CCN1CCC(CNC(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000074139183 542043765 /nfs/dbraw/zinc/04/37/65/542043765.db2.gz VWWNBGBJGYNYPA-OAQYLSRUSA-N 1 3 372.557 2.041 20 0 FEADHO CC(C)N1CCCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000076056591 542227971 /nfs/dbraw/zinc/22/79/71/542227971.db2.gz JTCPTQLRQUICGN-UHFFFAOYSA-N 1 3 362.518 2.253 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2CN2CCOCC2)CC1 ZINC000092218330 542848883 /nfs/dbraw/zinc/84/88/83/542848883.db2.gz XFAIJGGCCBTWPS-OAQYLSRUSA-N 1 3 372.557 2.125 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2CN2CCOCC2)CC1 ZINC000092218330 542848884 /nfs/dbraw/zinc/84/88/84/542848884.db2.gz XFAIJGGCCBTWPS-OAQYLSRUSA-N 1 3 372.557 2.125 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCCC[C@@H]2CC(N)=O)CC1 ZINC000092588652 542873522 /nfs/dbraw/zinc/87/35/22/542873522.db2.gz ONYHUEKWPMWTLW-LJQANCHMSA-N 1 3 358.530 2.449 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@H+]2CCCC[C@@H]2CC(N)=O)CC1 ZINC000092588652 542873524 /nfs/dbraw/zinc/87/35/24/542873524.db2.gz ONYHUEKWPMWTLW-LJQANCHMSA-N 1 3 358.530 2.449 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](C(=O)NC)C2)CC1 ZINC000093360833 542929273 /nfs/dbraw/zinc/92/92/73/542929273.db2.gz ZCSYXQCKANIGIL-LJQANCHMSA-N 1 3 358.530 2.177 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](C(=O)NC)C2)CC1 ZINC000093360833 542929275 /nfs/dbraw/zinc/92/92/75/542929275.db2.gz ZCSYXQCKANIGIL-LJQANCHMSA-N 1 3 358.530 2.177 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC1CCN(C2CC2)CC1 ZINC000103301714 543102029 /nfs/dbraw/zinc/10/20/29/543102029.db2.gz XCLDYERGMJGCGZ-IBGZPJMESA-N 1 3 370.541 2.477 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NC1CCN(C2CC2)CC1 ZINC000103301714 543102031 /nfs/dbraw/zinc/10/20/31/543102031.db2.gz XCLDYERGMJGCGZ-IBGZPJMESA-N 1 3 370.541 2.477 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000103303469 543102158 /nfs/dbraw/zinc/10/21/58/543102158.db2.gz GZIZFOHOQHGOHT-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000103319465 543103328 /nfs/dbraw/zinc/10/33/28/543103328.db2.gz ADCLVBQXUWXCAN-SFTDATJTSA-N 1 3 370.541 2.431 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000103319465 543103329 /nfs/dbraw/zinc/10/33/29/543103329.db2.gz ADCLVBQXUWXCAN-SFTDATJTSA-N 1 3 370.541 2.431 20 0 FEADHO CN(C)[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000105244788 543166991 /nfs/dbraw/zinc/16/69/91/543166991.db2.gz OXGQPJXXAVSWEJ-PMACEKPBSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C)[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000105244788 543166993 /nfs/dbraw/zinc/16/69/93/543166993.db2.gz OXGQPJXXAVSWEJ-PMACEKPBSA-N 1 3 358.530 2.287 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cc1)C1CC1 ZINC000110865808 543371121 /nfs/dbraw/zinc/37/11/21/543371121.db2.gz NVFBWFPBJOHEFD-UHFFFAOYSA-N 1 3 372.557 2.380 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cc1)C1CC1 ZINC000110865808 543371124 /nfs/dbraw/zinc/37/11/24/543371124.db2.gz NVFBWFPBJOHEFD-UHFFFAOYSA-N 1 3 372.557 2.380 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)N(C)Cc1ccccc1 ZINC000111504310 543404828 /nfs/dbraw/zinc/40/48/28/543404828.db2.gz HFDBDIPYRNFNNV-SFHVURJKSA-N 1 3 367.497 2.434 20 0 FEADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000247473380 549340629 /nfs/dbraw/zinc/34/06/29/549340629.db2.gz SNZLFJBXLDSBHR-RDJZCZTQSA-N 1 3 368.547 2.008 20 0 FEADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000247473380 549340632 /nfs/dbraw/zinc/34/06/32/549340632.db2.gz SNZLFJBXLDSBHR-RDJZCZTQSA-N 1 3 368.547 2.008 20 0 FEADHO CC[N@@H+]1CC[C@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000116732588 543613797 /nfs/dbraw/zinc/61/37/97/543613797.db2.gz ZPYUUQFEMVFFNQ-LJQANCHMSA-N 1 3 358.530 2.047 20 0 FEADHO CC[N@H+]1CC[C@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000116732588 543613799 /nfs/dbraw/zinc/61/37/99/543613799.db2.gz ZPYUUQFEMVFFNQ-LJQANCHMSA-N 1 3 358.530 2.047 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@]3(C)CCCS3)CC2)CC1 ZINC000122720793 543720041 /nfs/dbraw/zinc/72/00/41/543720041.db2.gz ZSAGPGJHVBVZRV-GOSISDBHSA-N 1 3 354.564 2.130 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000125295832 543873146 /nfs/dbraw/zinc/87/31/46/543873146.db2.gz CLWHHRVXFTZQFX-IBGZPJMESA-N 1 3 374.529 2.397 20 0 FEADHO C[C@H](CN1CCCCC1)NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000125304460 543873898 /nfs/dbraw/zinc/87/38/98/543873898.db2.gz WIEXZKHWPWVAHQ-QGZVFWFLSA-N 1 3 362.518 2.301 20 0 FEADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1N(C)C ZINC000128146020 544034827 /nfs/dbraw/zinc/03/48/27/544034827.db2.gz AAEJVBAQKQPWQG-GJZGRUSLSA-N 1 3 350.482 2.130 20 0 FEADHO CC[NH+]1CCN(Cc2ccc(NC(=O)CN3CCC(C)CC3)cc2)CC1 ZINC000136161181 544367695 /nfs/dbraw/zinc/36/76/95/544367695.db2.gz GECLVQDJCRYUHT-UHFFFAOYSA-N 1 3 358.530 2.495 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000137228150 544386899 /nfs/dbraw/zinc/38/68/99/544386899.db2.gz PSDZZHGRPQAEBA-RBUKOAKNSA-N 1 3 359.514 2.202 20 0 FEADHO COCCN1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000138640110 544397208 /nfs/dbraw/zinc/39/72/08/544397208.db2.gz QODVWBZKWLZKPA-LJQANCHMSA-N 1 3 359.514 2.126 20 0 FEADHO COCCN1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000138640110 544397210 /nfs/dbraw/zinc/39/72/10/544397210.db2.gz QODVWBZKWLZKPA-LJQANCHMSA-N 1 3 359.514 2.126 20 0 FEADHO CN(CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)Cc1ccccc1 ZINC000552624357 674217299 /nfs/dbraw/zinc/21/72/99/674217299.db2.gz GEYMRGKNHMPTPP-IBGZPJMESA-N 1 3 361.555 2.452 20 0 FEADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000182487447 327777558 /nfs/dbraw/zinc/77/75/58/327777558.db2.gz ORBGPVFRAQOSKM-MSOLQXFVSA-N 1 3 354.516 2.072 20 0 FEADHO CC(=O)Nc1cccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000187719565 328041801 /nfs/dbraw/zinc/04/18/01/328041801.db2.gz USFYWLBNRNWSLU-UHFFFAOYSA-N 1 3 372.513 2.242 20 0 FEADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2[nH]nc3c2CNCC3)C1 ZINC000188713568 328106176 /nfs/dbraw/zinc/10/61/76/328106176.db2.gz URVZHXLQFIUGNX-HNNXBMFYSA-N 1 3 367.497 2.217 20 0 FEADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2[nH]nc3c2CNCC3)C1 ZINC000188713568 328106177 /nfs/dbraw/zinc/10/61/77/328106177.db2.gz URVZHXLQFIUGNX-HNNXBMFYSA-N 1 3 367.497 2.217 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)CC3([NH+](C)C)CCC3)cc2)CC1 ZINC000189517493 328152591 /nfs/dbraw/zinc/15/25/91/328152591.db2.gz WNHGAJCLTNFPSM-UHFFFAOYSA-N 1 3 358.530 2.385 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000191093737 328249629 /nfs/dbraw/zinc/24/96/29/328249629.db2.gz JSIAWFGJUQRXIM-SFHVURJKSA-N 1 3 374.529 2.253 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000191093737 328249630 /nfs/dbraw/zinc/24/96/30/328249630.db2.gz JSIAWFGJUQRXIM-SFHVURJKSA-N 1 3 374.529 2.253 20 0 FEADHO C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000192523633 328323450 /nfs/dbraw/zinc/32/34/50/328323450.db2.gz FKEHPWJZSTWJTQ-UIFIKXQLSA-N 1 3 355.526 2.350 20 0 FEADHO C[C@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000192523633 328323452 /nfs/dbraw/zinc/32/34/52/328323452.db2.gz FKEHPWJZSTWJTQ-UIFIKXQLSA-N 1 3 355.526 2.350 20 0 FEADHO Cn1c2ccc(CNC3CC[NH+](C4CCN(C)CC4)CC3)cc2sc1=O ZINC000192522273 328323590 /nfs/dbraw/zinc/32/35/90/328323590.db2.gz MCODWLFKJORHET-UHFFFAOYSA-N 1 3 374.554 2.248 20 0 FEADHO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192799315 328340120 /nfs/dbraw/zinc/34/01/20/328340120.db2.gz FJQVTMPSALUPDP-IBGZPJMESA-N 1 3 353.551 2.456 20 0 FEADHO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192799315 328340122 /nfs/dbraw/zinc/34/01/22/328340122.db2.gz FJQVTMPSALUPDP-IBGZPJMESA-N 1 3 353.551 2.456 20 0 FEADHO COCC[NH+]1CCC(NC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000194465943 328426376 /nfs/dbraw/zinc/42/63/76/328426376.db2.gz MTOCHRIIXREBIH-UHFFFAOYSA-N 1 3 366.550 2.005 20 0 FEADHO CN(C)CCn1c2cc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)ccc2oc1=O ZINC000237001824 328500967 /nfs/dbraw/zinc/50/09/67/328500967.db2.gz BWWBHOPFDCNDSY-GOOCMWNKSA-N 1 3 372.469 2.015 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@H]2CC23CC[NH2+]CC3)CCOCC1)c1ccccc1 ZINC000237534845 328519116 /nfs/dbraw/zinc/51/91/16/328519116.db2.gz YLRUIGNWUVLOBP-PKOBYXMFSA-N 1 3 371.525 2.392 20 0 FEADHO C[C@@H](NC(=O)CCN1CCN(c2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000085290324 325249836 /nfs/dbraw/zinc/24/98/36/325249836.db2.gz IGACHWLLEBOIHT-GOSISDBHSA-N 1 3 360.546 2.291 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@](C)(O)CSC)CC1 ZINC000088727737 325299702 /nfs/dbraw/zinc/29/97/02/325299702.db2.gz KVORSUVEPNWUTD-LJQANCHMSA-N 1 3 351.560 2.422 20 0 FEADHO C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000089618969 325324298 /nfs/dbraw/zinc/32/42/98/325324298.db2.gz UXWABPLQMQARKY-BBRMVZONSA-N 1 3 373.419 2.441 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2sc(CCOC)nc2C)CC1 ZINC000092738983 325424092 /nfs/dbraw/zinc/42/40/92/325424092.db2.gz BLCIUXFSAPLHIF-HNNXBMFYSA-N 1 3 354.564 2.319 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000103311640 325514172 /nfs/dbraw/zinc/51/41/72/325514172.db2.gz XSHKMNPGXFRCJS-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC[C@H]([NH+](C)C)C1 ZINC000109811476 325678282 /nfs/dbraw/zinc/67/82/82/325678282.db2.gz PXFWHTWYVBZVCA-NQIIRXRSSA-N 1 3 372.557 2.182 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cnn(C(C)(C)C)c3)CC2)CC1 ZINC000120217436 326241327 /nfs/dbraw/zinc/24/13/27/326241327.db2.gz POKASABRXPHMOG-UHFFFAOYSA-N 1 3 362.522 2.318 20 0 FEADHO CCOCCN1CCN(Cc2ccccc2N2CC[NH+](CC)CC2)C[C@H]1C ZINC000120892718 326296511 /nfs/dbraw/zinc/29/65/11/326296511.db2.gz IGTIFBDITDICJJ-HXUWFJFHSA-N 1 3 374.573 2.371 20 0 FEADHO CN(C)Cc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000122359817 326393998 /nfs/dbraw/zinc/39/39/98/326393998.db2.gz ORPOMMJIOGQPIO-VQTJNVASSA-N 1 3 359.514 2.246 20 0 FEADHO CN(C)CCOc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000136508508 326653222 /nfs/dbraw/zinc/65/32/22/326653222.db2.gz MKKFPAHFOWFBFN-UHFFFAOYSA-N 1 3 372.469 2.215 20 0 FEADHO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000173254163 327244265 /nfs/dbraw/zinc/24/42/65/327244265.db2.gz MZTYVCUPSKEUTF-VQTJNVASSA-N 1 3 354.498 2.479 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173918985 327294265 /nfs/dbraw/zinc/29/42/65/327294265.db2.gz VDFYXNSYQKQWMY-MRXNPFEDSA-N 1 3 350.511 2.078 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173918985 327294267 /nfs/dbraw/zinc/29/42/67/327294267.db2.gz VDFYXNSYQKQWMY-MRXNPFEDSA-N 1 3 350.511 2.078 20 0 FEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173948200 327296672 /nfs/dbraw/zinc/29/66/72/327296672.db2.gz UVQYSHXKEFTYEF-OAHLLOKOSA-N 1 3 350.511 2.077 20 0 FEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173948200 327296673 /nfs/dbraw/zinc/29/66/73/327296673.db2.gz UVQYSHXKEFTYEF-OAHLLOKOSA-N 1 3 350.511 2.077 20 0 FEADHO Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000173949108 327296914 /nfs/dbraw/zinc/29/69/14/327296914.db2.gz SBLQZZMJBDAQAQ-UHFFFAOYSA-N 1 3 372.517 2.349 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)NCC2(N3CCSCC3)CCCC2)CC[N@@H+]1C ZINC000174015852 327301428 /nfs/dbraw/zinc/30/14/28/327301428.db2.gz QUUYQKMFFISRTQ-DLBZAZTESA-N 1 3 368.591 2.472 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)NCC2(N3CCSCC3)CCCC2)CC[N@H+]1C ZINC000174015852 327301430 /nfs/dbraw/zinc/30/14/30/327301430.db2.gz QUUYQKMFFISRTQ-DLBZAZTESA-N 1 3 368.591 2.472 20 0 FEADHO CN(CCC[NH+]1CCN(C)CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000174729923 327346371 /nfs/dbraw/zinc/34/63/71/327346371.db2.gz SXCZOJJUCXRAMQ-GOSISDBHSA-N 1 3 364.921 2.015 20 0 FEADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000263116613 328916662 /nfs/dbraw/zinc/91/66/62/328916662.db2.gz APSKWXNVGYNPRE-WIYYLYMNSA-N 1 3 372.513 2.358 20 0 FEADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000263226951 328926762 /nfs/dbraw/zinc/92/67/62/328926762.db2.gz ASARDQARFIAGHX-GOSISDBHSA-N 1 3 354.454 2.085 20 0 FEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000267224040 329304127 /nfs/dbraw/zinc/30/41/27/329304127.db2.gz BABXDQGAWXVYIT-QGZVFWFLSA-N 1 3 358.530 2.069 20 0 FEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000267224040 329304129 /nfs/dbraw/zinc/30/41/29/329304129.db2.gz BABXDQGAWXVYIT-QGZVFWFLSA-N 1 3 358.530 2.069 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)COc2ccccc2F)[C@H](C)C1 ZINC000276154384 330124495 /nfs/dbraw/zinc/12/44/95/330124495.db2.gz CLBYTSBLQQLMQC-AOIWGVFYSA-N 1 3 368.493 2.292 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)COc2ccccc2F)[C@H](C)C1 ZINC000276154384 330124497 /nfs/dbraw/zinc/12/44/97/330124497.db2.gz CLBYTSBLQQLMQC-AOIWGVFYSA-N 1 3 368.493 2.292 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCCN(C(C)C)CC2)cc1 ZINC000276277479 330136198 /nfs/dbraw/zinc/13/61/98/330136198.db2.gz BGOYTSBEGKQOTL-UHFFFAOYSA-N 1 3 374.529 2.410 20 0 FEADHO CC[NH+]1CCC(NC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)CC1 ZINC000276533229 330161896 /nfs/dbraw/zinc/16/18/96/330161896.db2.gz RCEFFMQOZCXXBL-GOSISDBHSA-N 1 3 359.518 2.029 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)CCCN2CCC([NH3+])CC2)N2CCCC2)o1 ZINC000433146612 330273221 /nfs/dbraw/zinc/27/32/21/330273221.db2.gz ADHUQRRWFFYRRV-GOSISDBHSA-N 1 3 362.518 2.044 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC[N@H+](C)C3CCCC3)cc2)CC1 ZINC000155899320 545581968 /nfs/dbraw/zinc/58/19/68/545581968.db2.gz IYLSVRSWQBZCBV-UHFFFAOYSA-N 1 3 358.530 2.433 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC[N@@H+](C)C3CCCC3)cc2)CC1 ZINC000155899320 545581971 /nfs/dbraw/zinc/58/19/71/545581971.db2.gz IYLSVRSWQBZCBV-UHFFFAOYSA-N 1 3 358.530 2.433 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000477491499 561146190 /nfs/dbraw/zinc/14/61/90/561146190.db2.gz WIWFHDPLYWHYMI-UHFFFAOYSA-N 1 3 367.559 2.491 20 0 FEADHO CSCC[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000158207809 545835176 /nfs/dbraw/zinc/83/51/76/545835176.db2.gz NZRVWVQIWPHQER-KRWDZBQOSA-N 1 3 350.532 2.236 20 0 FEADHO C[C@H](O)C[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CCCCC1 ZINC000158305302 545846634 /nfs/dbraw/zinc/84/66/34/545846634.db2.gz SCPUUJCFPHVTAH-PXNSSMCTSA-N 1 3 361.530 2.421 20 0 FEADHO C[C@H](O)C[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CCCCC1 ZINC000158305302 545846638 /nfs/dbraw/zinc/84/66/38/545846638.db2.gz SCPUUJCFPHVTAH-PXNSSMCTSA-N 1 3 361.530 2.421 20 0 FEADHO COCC1(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CC[NH2+]CC1 ZINC000479189853 561183825 /nfs/dbraw/zinc/18/38/25/561183825.db2.gz FSOHEVCFRLYWLP-NVXWUHKLSA-N 1 3 365.543 2.263 20 0 FEADHO COCCCN(C)CCNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000175737469 546342551 /nfs/dbraw/zinc/34/25/51/546342551.db2.gz ZRHDNWBRZQCROW-LJQANCHMSA-N 1 3 368.566 2.108 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000177193329 546567342 /nfs/dbraw/zinc/56/73/42/546567342.db2.gz RBFVPSVCCAJNIO-RTBURBONSA-N 1 3 370.541 2.330 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000177193329 546567347 /nfs/dbraw/zinc/56/73/47/546567347.db2.gz RBFVPSVCCAJNIO-RTBURBONSA-N 1 3 370.541 2.330 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000177504805 546633072 /nfs/dbraw/zinc/63/30/72/546633072.db2.gz SPVGICAADITOLI-QUCCMNQESA-N 1 3 358.530 2.431 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000481023824 561223205 /nfs/dbraw/zinc/22/32/05/561223205.db2.gz XYUFOSVPVVWQSJ-VQIMIIECSA-N 1 3 362.518 2.329 20 0 FEADHO CN(C)[C@]1(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCSC1 ZINC000481037473 561223573 /nfs/dbraw/zinc/22/35/73/561223573.db2.gz NGZAUEFOJAEGGN-WMZOPIPTSA-N 1 3 356.580 2.233 20 0 FEADHO C[C@H](NCc1cccnc1-n1cncn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178048320 546730528 /nfs/dbraw/zinc/73/05/28/546730528.db2.gz FOMNBHUQPQRXLF-INIZCTEOSA-N 1 3 366.469 2.454 20 0 FEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000179716524 547003499 /nfs/dbraw/zinc/00/34/99/547003499.db2.gz VCQVVLZKIGVPTI-XLIONFOSSA-N 1 3 359.514 2.267 20 0 FEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000179716524 547003501 /nfs/dbraw/zinc/00/35/01/547003501.db2.gz VCQVVLZKIGVPTI-XLIONFOSSA-N 1 3 359.514 2.267 20 0 FEADHO CC[C@H]1CCCCN1C(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180939175 547214359 /nfs/dbraw/zinc/21/43/59/547214359.db2.gz QKEIFCDQVXWFFT-MSOLQXFVSA-N 1 3 352.567 2.124 20 0 FEADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C12CCC2 ZINC000181670188 547356439 /nfs/dbraw/zinc/35/64/39/547356439.db2.gz JESDISGODVTLGL-RTBURBONSA-N 1 3 359.514 2.415 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)N2CCC(OC)CC2)C[C@H]1C ZINC000483762343 561283589 /nfs/dbraw/zinc/28/35/89/561283589.db2.gz RXVMDOUVCSZIJK-IAGOWNOFSA-N 1 3 368.566 2.390 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)N2CCC(OC)CC2)C[C@H]1C ZINC000483762343 561283590 /nfs/dbraw/zinc/28/35/90/561283590.db2.gz RXVMDOUVCSZIJK-IAGOWNOFSA-N 1 3 368.566 2.390 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000182523336 547507530 /nfs/dbraw/zinc/50/75/30/547507530.db2.gz HPNWUIWOBXCQGY-MOPGFXCFSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000182523336 547507534 /nfs/dbraw/zinc/50/75/34/547507534.db2.gz HPNWUIWOBXCQGY-MOPGFXCFSA-N 1 3 374.529 2.253 20 0 FEADHO CCCN1CCC([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000184958080 547907190 /nfs/dbraw/zinc/90/71/90/547907190.db2.gz REOMNQQDSMLIGO-UHFFFAOYSA-N 1 3 351.516 2.191 20 0 FEADHO CN(C)Cc1ccccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000486757565 561355841 /nfs/dbraw/zinc/35/58/41/561355841.db2.gz CMJSHSGKSFSLBC-PMACEKPBSA-N 1 3 359.514 2.246 20 0 FEADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000486632462 561352789 /nfs/dbraw/zinc/35/27/89/561352789.db2.gz RJJLVCRAAYOHTD-LJQANCHMSA-N 1 3 359.514 2.465 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccccc1F ZINC000195118720 548578999 /nfs/dbraw/zinc/57/89/99/548578999.db2.gz CIXCZFULVDCJOP-QGZVFWFLSA-N 1 3 350.482 2.383 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccccc1F ZINC000195118720 548579008 /nfs/dbraw/zinc/57/90/08/548579008.db2.gz CIXCZFULVDCJOP-QGZVFWFLSA-N 1 3 350.482 2.383 20 0 FEADHO C[NH2+]CCCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000237152776 548804111 /nfs/dbraw/zinc/80/41/11/548804111.db2.gz RXOFTHAWSVGUOU-UHFFFAOYSA-N 1 3 353.894 2.299 20 0 FEADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000487813788 561376374 /nfs/dbraw/zinc/37/63/74/561376374.db2.gz VNNBUAMFBXAYOX-YQVWRLOYSA-N 1 3 350.551 2.479 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000245428846 548916469 /nfs/dbraw/zinc/91/64/69/548916469.db2.gz MUMJSPZSYIUWQD-PMACEKPBSA-N 1 3 372.557 2.448 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000245428846 548916473 /nfs/dbraw/zinc/91/64/73/548916473.db2.gz MUMJSPZSYIUWQD-PMACEKPBSA-N 1 3 372.557 2.448 20 0 FEADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCCN(C)Cc2ccccc2)C[C@@H](C)C1 ZINC000488041151 561382104 /nfs/dbraw/zinc/38/21/04/561382104.db2.gz HGVVQQCIMPRGKM-NSHGMRRFSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCCN(C)Cc2ccccc2)C[C@@H](C)C1 ZINC000488041151 561382105 /nfs/dbraw/zinc/38/21/05/561382105.db2.gz HGVVQQCIMPRGKM-NSHGMRRFSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@H](CN1CCN(C)CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245781543 548993415 /nfs/dbraw/zinc/99/34/15/548993415.db2.gz YYOJAPVFGZVPEM-PSWRPDDJSA-N 1 3 356.558 2.408 20 0 FEADHO C[C@H](CN1CCN(C)CC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245781543 548993417 /nfs/dbraw/zinc/99/34/17/548993417.db2.gz YYOJAPVFGZVPEM-PSWRPDDJSA-N 1 3 356.558 2.408 20 0 FEADHO C[C@H](CN1CCN(C)CC1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245781543 548993419 /nfs/dbraw/zinc/99/34/19/548993419.db2.gz YYOJAPVFGZVPEM-PSWRPDDJSA-N 1 3 356.558 2.408 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000245926174 549020931 /nfs/dbraw/zinc/02/09/31/549020931.db2.gz HPNWUIWOBXCQGY-OALUTQOASA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000245926174 549020936 /nfs/dbraw/zinc/02/09/36/549020936.db2.gz HPNWUIWOBXCQGY-OALUTQOASA-N 1 3 374.529 2.253 20 0 FEADHO COc1ccccc1CC(=O)N1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000246037979 549039476 /nfs/dbraw/zinc/03/94/76/549039476.db2.gz AHIZINUAIZPKBU-PMACEKPBSA-N 1 3 371.525 2.445 20 0 FEADHO COc1ccccc1CC(=O)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000246037979 549039481 /nfs/dbraw/zinc/03/94/81/549039481.db2.gz AHIZINUAIZPKBU-PMACEKPBSA-N 1 3 371.525 2.445 20 0 FEADHO COc1ccccc1CC(=O)N1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000246037979 549039484 /nfs/dbraw/zinc/03/94/84/549039484.db2.gz AHIZINUAIZPKBU-PMACEKPBSA-N 1 3 371.525 2.445 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000246160862 549066573 /nfs/dbraw/zinc/06/65/73/549066573.db2.gz DYOVSJBUJIRGDU-DLBZAZTESA-N 1 3 368.591 2.330 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000246160862 549066576 /nfs/dbraw/zinc/06/65/76/549066576.db2.gz DYOVSJBUJIRGDU-DLBZAZTESA-N 1 3 368.591 2.330 20 0 FEADHO CCC(CC)(CNC(=O)[C@@H]1CN2CCN1CCC2)[NH2+][C@H](C)c1ccccc1 ZINC000488388786 561389070 /nfs/dbraw/zinc/38/90/70/561389070.db2.gz IIXPPRNWDUGZJD-QUCCMNQESA-N 1 3 372.557 2.402 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000246408925 549126824 /nfs/dbraw/zinc/12/68/24/549126824.db2.gz IALBKTIRIWQRPO-IRXDYDNUSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000246408925 549126828 /nfs/dbraw/zinc/12/68/28/549126828.db2.gz IALBKTIRIWQRPO-IRXDYDNUSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000246475084 549141934 /nfs/dbraw/zinc/14/19/34/549141934.db2.gz GFFDZSLUMGXYJR-HLIPFELVSA-N 1 3 371.529 2.485 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000246475084 549141936 /nfs/dbraw/zinc/14/19/36/549141936.db2.gz GFFDZSLUMGXYJR-HLIPFELVSA-N 1 3 371.529 2.485 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](N3CC=CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000246552235 549160429 /nfs/dbraw/zinc/16/04/29/549160429.db2.gz MRRKZTZWNARWQB-MISYRCLQSA-N 1 3 354.498 2.305 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](N3CC=CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000246552235 549160434 /nfs/dbraw/zinc/16/04/34/549160434.db2.gz MRRKZTZWNARWQB-MISYRCLQSA-N 1 3 354.498 2.305 20 0 FEADHO CC(C)COC[C@H](O)C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000246747111 549203382 /nfs/dbraw/zinc/20/33/82/549203382.db2.gz XCWULCXXPZCULX-CMKODMSKSA-N 1 3 356.551 2.231 20 0 FEADHO COCCN(C)CCCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247124085 549288187 /nfs/dbraw/zinc/28/81/87/549288187.db2.gz ZCCDKXVCZFUBJZ-RTBURBONSA-N 1 3 368.566 2.251 20 0 FEADHO COCCN(C)CCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247124085 549288192 /nfs/dbraw/zinc/28/81/92/549288192.db2.gz ZCCDKXVCZFUBJZ-RTBURBONSA-N 1 3 368.566 2.251 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000247323407 549318001 /nfs/dbraw/zinc/31/80/01/549318001.db2.gz MNLCEMAACMQMJF-XMSQKQJNSA-N 1 3 371.525 2.268 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN1C1CCOCC1 ZINC000248711297 549488586 /nfs/dbraw/zinc/48/85/86/549488586.db2.gz CPTWYIDHQAXFPN-PZJWPPBQSA-N 1 3 371.525 2.268 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN1C1CCOCC1 ZINC000248711297 549488590 /nfs/dbraw/zinc/48/85/90/549488590.db2.gz CPTWYIDHQAXFPN-PZJWPPBQSA-N 1 3 371.525 2.268 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248906210 549526061 /nfs/dbraw/zinc/52/60/61/549526061.db2.gz UWEMUBSIDOLNGB-HOJAQTOUSA-N 1 3 358.530 2.490 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000248906210 549526063 /nfs/dbraw/zinc/52/60/63/549526063.db2.gz UWEMUBSIDOLNGB-HOJAQTOUSA-N 1 3 358.530 2.490 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)C12CCOCC2 ZINC000248997499 549538020 /nfs/dbraw/zinc/53/80/20/549538020.db2.gz MKEAJNUPRMAJLA-CADBVGFASA-N 1 3 354.535 2.440 20 0 FEADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)C[C@@H](C)C1 ZINC000489987894 561424064 /nfs/dbraw/zinc/42/40/64/561424064.db2.gz DUWHJDNXHJJPOS-BZSNNMDCSA-N 1 3 350.551 2.480 20 0 FEADHO O=C(NC[C@H]1CCCN(CCOC2CCCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000261809755 549757978 /nfs/dbraw/zinc/75/79/78/549757978.db2.gz JMHHZEBJVOGXPR-MJGOQNOKSA-N 1 3 351.535 2.306 20 0 FEADHO CCCN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000261824188 549759755 /nfs/dbraw/zinc/75/97/55/549759755.db2.gz HYLKODBNDTVIPV-ZCNNSNEGSA-N 1 3 359.514 2.396 20 0 FEADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000261887362 549765848 /nfs/dbraw/zinc/76/58/48/549765848.db2.gz ZVEJXBAQNICRFI-DNVCBOLYSA-N 1 3 363.477 2.160 20 0 FEADHO c1ccc(COc2cccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)c2)nc1 ZINC000262075782 549786298 /nfs/dbraw/zinc/78/62/98/549786298.db2.gz DHAHAEUWXVCNMD-HXUWFJFHSA-N 1 3 352.482 2.140 20 0 FEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262707538 549841634 /nfs/dbraw/zinc/84/16/34/549841634.db2.gz DQOYSXPUJIRQPD-OALUTQOASA-N 1 3 367.497 2.202 20 0 FEADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1(C)C ZINC000262753213 549846160 /nfs/dbraw/zinc/84/61/60/549846160.db2.gz AJOVIEXWLJJZQT-XMSQKQJNSA-N 1 3 373.541 2.472 20 0 FEADHO CSC[C@H](C)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000268984113 550140938 /nfs/dbraw/zinc/14/09/38/550140938.db2.gz DYBRAGNMGQDSAC-GJZGRUSLSA-N 1 3 373.588 2.319 20 0 FEADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1(O)CCN(C)CC1 ZINC000269000108 550142491 /nfs/dbraw/zinc/14/24/91/550142491.db2.gz OWAIKFOAZWVRMO-OAHLLOKOSA-N 1 3 367.921 2.123 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000269094722 550154026 /nfs/dbraw/zinc/15/40/26/550154026.db2.gz RKIYMLYXFQNLQK-ZBFHGGJFSA-N 1 3 372.531 2.106 20 0 FEADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N1CCOCC1 ZINC000272680426 550464668 /nfs/dbraw/zinc/46/46/68/550464668.db2.gz SCHCYCHJDUYOLE-RLLQIKCJSA-N 1 3 359.514 2.124 20 0 FEADHO C[C@H](NC(=O)/C=C/C[NH+](C)C)c1ccccc1NC(=O)/C=C/CN(C)C ZINC000272812802 550472150 /nfs/dbraw/zinc/47/21/50/550472150.db2.gz ATVMCEJQZQRTPJ-LVPLIOQOSA-N 1 3 358.486 2.038 20 0 FEADHO C[C@H](NC(=O)/C=C/CN(C)C)c1ccccc1NC(=O)/C=C/C[NH+](C)C ZINC000272812802 550472152 /nfs/dbraw/zinc/47/21/52/550472152.db2.gz ATVMCEJQZQRTPJ-LVPLIOQOSA-N 1 3 358.486 2.038 20 0 FEADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000273076003 550484107 /nfs/dbraw/zinc/48/41/07/550484107.db2.gz GMRHFCHYZJFDAK-SFTDATJTSA-N 1 3 371.525 2.276 20 0 FEADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000273076003 550484108 /nfs/dbraw/zinc/48/41/08/550484108.db2.gz GMRHFCHYZJFDAK-SFTDATJTSA-N 1 3 371.525 2.276 20 0 FEADHO CN1CCC(CC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000273155929 550487528 /nfs/dbraw/zinc/48/75/28/550487528.db2.gz ARUPUDISLLLZFA-SFHVURJKSA-N 1 3 372.513 2.054 20 0 FEADHO CN1CCC(CC(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000273155929 550487529 /nfs/dbraw/zinc/48/75/29/550487529.db2.gz ARUPUDISLLLZFA-SFHVURJKSA-N 1 3 372.513 2.054 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)N2CCCC2)cc1 ZINC000278933457 550837445 /nfs/dbraw/zinc/83/74/45/550837445.db2.gz FJWZOICNDUAAIQ-FXAWDEMLSA-N 1 3 367.497 2.362 20 0 FEADHO C[C@@H]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CCN1Cc1ccccc1 ZINC000278975931 550842203 /nfs/dbraw/zinc/84/22/03/550842203.db2.gz JLACVYDOHQPLBX-SJLPKXTDSA-N 1 3 367.497 2.223 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@H](CC[NH3+])C3)CC2)c1 ZINC000282049587 551174097 /nfs/dbraw/zinc/17/40/97/551174097.db2.gz VHSUEQMXINVNKX-IBGZPJMESA-N 1 3 358.530 2.095 20 0 FEADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000282296748 551208041 /nfs/dbraw/zinc/20/80/41/551208041.db2.gz MBFCHGOCNCCPSO-INIZCTEOSA-N 1 3 360.502 2.320 20 0 FEADHO CCC[NH+]1CCC(NC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)CC1 ZINC000498108679 561516245 /nfs/dbraw/zinc/51/62/45/561516245.db2.gz QECSEVRMCXGVCH-IBGZPJMESA-N 1 3 362.518 2.472 20 0 FEADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000284140330 551491029 /nfs/dbraw/zinc/49/10/29/551491029.db2.gz OUBSJUJHUBFHDX-IEBWSBKVSA-N 1 3 368.543 2.115 20 0 FEADHO CCN1C[C@H](C)N(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000498573851 561529205 /nfs/dbraw/zinc/52/92/05/561529205.db2.gz VRUFQYDEAQEQKO-OALUTQOASA-N 1 3 358.530 2.140 20 0 FEADHO C[C@H](NC(=O)NCCNc1ccncc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498692357 561531972 /nfs/dbraw/zinc/53/19/72/561531972.db2.gz XSIGRDMSYOVFOS-PKOBYXMFSA-N 1 3 367.497 2.125 20 0 FEADHO C[C@H](NC(=O)NCCNc1ccncc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498692357 561531973 /nfs/dbraw/zinc/53/19/73/561531973.db2.gz XSIGRDMSYOVFOS-PKOBYXMFSA-N 1 3 367.497 2.125 20 0 FEADHO COc1cc([C@@H](C)NCCCN2CCN(c3cc[nH+]cc3)CC2)c(F)cn1 ZINC000287279684 551984482 /nfs/dbraw/zinc/98/44/82/551984482.db2.gz BKEXEDTVDHOCFG-MRXNPFEDSA-N 1 3 373.476 2.487 20 0 FEADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000287439321 552004419 /nfs/dbraw/zinc/00/44/19/552004419.db2.gz FXTYMTRYVAJTNN-YVWKXTFCSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000287439321 552004420 /nfs/dbraw/zinc/00/44/20/552004420.db2.gz FXTYMTRYVAJTNN-YVWKXTFCSA-N 1 3 356.514 2.433 20 0 FEADHO OCc1cn(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)nn1 ZINC000289610107 552349118 /nfs/dbraw/zinc/34/91/18/552349118.db2.gz DBCFXCZFCBYCLL-CEWLAPEOSA-N 1 3 369.513 2.051 20 0 FEADHO COC(=O)CC[C@H](N)C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000289692431 552363042 /nfs/dbraw/zinc/36/30/42/552363042.db2.gz DZBMXBVKSCLMDB-SZMVWBNQSA-N 1 3 363.502 2.149 20 0 FEADHO COc1ccc2c(c1OC)CCN(CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000501013924 561587744 /nfs/dbraw/zinc/58/77/44/561587744.db2.gz IBQYCPCUOBHHIP-UHFFFAOYSA-N 1 3 361.530 2.478 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)CC1 ZINC000292828379 552762420 /nfs/dbraw/zinc/76/24/20/552762420.db2.gz BJHBSIJEHOGVHY-AZUAARDMSA-N 1 3 356.514 2.041 20 0 FEADHO CC[NH+]1CCN(CCC(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)CC1 ZINC000501617817 561602250 /nfs/dbraw/zinc/60/22/50/561602250.db2.gz IGWAERVJGBWLSH-VQTJNVASSA-N 1 3 372.557 2.135 20 0 FEADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000294102924 552882202 /nfs/dbraw/zinc/88/22/02/552882202.db2.gz FJSABVUZECURLA-AEFFLSMTSA-N 1 3 354.516 2.072 20 0 FEADHO CCn1nc(C)c(CNCCCC[NH+]2CCN(Cc3ccccc3)CC2)n1 ZINC000296610113 553187453 /nfs/dbraw/zinc/18/74/53/553187453.db2.gz ZBADDQKRHDLKMY-UHFFFAOYSA-N 1 3 370.545 2.294 20 0 FEADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCC(=O)NC1CCN(C2CC2)CC1 ZINC000503225545 561637228 /nfs/dbraw/zinc/63/72/28/561637228.db2.gz YUAXEDFVQARQBF-XLIONFOSSA-N 1 3 364.578 2.220 20 0 FEADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1ccccc1Br ZINC000297759921 553335419 /nfs/dbraw/zinc/33/54/19/553335419.db2.gz UXJKQVUIMKCFFQ-HNNXBMFYSA-N 1 3 369.303 2.405 20 0 FEADHO CCn1nccc1N1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1=O ZINC000298020429 553372180 /nfs/dbraw/zinc/37/21/80/553372180.db2.gz DQCKBNXKXBYJIC-SFHVURJKSA-N 1 3 368.485 2.052 20 0 FEADHO CN1CCC[C@]2(CCN(C(=O)NCc3ccc(CC[NH+](C)C)cc3)C2)C1 ZINC000298238742 553402213 /nfs/dbraw/zinc/40/22/13/553402213.db2.gz IZFUVVMRHNTLPT-NRFANRHFSA-N 1 3 358.530 2.418 20 0 FEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCC[C@@H]3CNS(C)(=O)=O)CC2)C1 ZINC000504569201 561659748 /nfs/dbraw/zinc/65/97/48/561659748.db2.gz WYPLXCOCHXASPV-ZAWLATJESA-N 1 3 371.591 2.337 20 0 FEADHO [NH3+]CCC1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000315389362 553760472 /nfs/dbraw/zinc/76/04/72/553760472.db2.gz KWHHNGRLQBYFKG-UHFFFAOYSA-N 1 3 365.275 2.018 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1nc(C)c(Cl)c1C ZINC000505804028 561681298 /nfs/dbraw/zinc/68/12/98/561681298.db2.gz YOKZAOYDRJBRST-MRXNPFEDSA-N 1 3 369.941 2.028 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1nc(C)c(Cl)c1C ZINC000505804028 561681300 /nfs/dbraw/zinc/68/13/00/561681300.db2.gz YOKZAOYDRJBRST-MRXNPFEDSA-N 1 3 369.941 2.028 20 0 FEADHO COCC[N@H+](C)CC[C@@H](NC(=O)NC[C@H]1CCCN1C)c1ccccc1 ZINC000509784382 561813932 /nfs/dbraw/zinc/81/39/32/561813932.db2.gz WHNQXBQDXCAKQV-RTBURBONSA-N 1 3 362.518 2.089 20 0 FEADHO COCC[N@@H+](C)CC[C@@H](NC(=O)NC[C@H]1CCCN1C)c1ccccc1 ZINC000509784382 561813934 /nfs/dbraw/zinc/81/39/34/561813934.db2.gz WHNQXBQDXCAKQV-RTBURBONSA-N 1 3 362.518 2.089 20 0 FEADHO Fc1ccc(-c2n[nH]cc2CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000333106756 554572976 /nfs/dbraw/zinc/57/29/76/554572976.db2.gz FUEPLRHIDSTNSU-MSOLQXFVSA-N 1 3 356.445 2.416 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCN1Cc1ccccc1 ZINC000333593951 554626505 /nfs/dbraw/zinc/62/65/05/554626505.db2.gz OTQSNSPKMBGRKK-DABHTEOTSA-N 1 3 356.514 2.418 20 0 FEADHO CN1CCC[C@@]2(CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)C2)C1 ZINC000333622821 554628523 /nfs/dbraw/zinc/62/85/23/554628523.db2.gz ZSJXYJGEOGPWJD-SGRZJPDBSA-N 1 3 360.546 2.267 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000333693701 554634137 /nfs/dbraw/zinc/63/41/37/554634137.db2.gz QASDOXUGLXRCNB-OGWHTMIXSA-N 1 3 366.550 2.035 20 0 FEADHO CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333845415 554648956 /nfs/dbraw/zinc/64/89/56/554648956.db2.gz PBPCORCOZMRSEQ-PKOBYXMFSA-N 1 3 359.518 2.220 20 0 FEADHO C[C@@]1(CNC(=O)NCC2(N3CCSCC3)CCCC2)CCC[NH2+]C1 ZINC000333951175 554660463 /nfs/dbraw/zinc/66/04/63/554660463.db2.gz YSXHHQJUXKGDBN-QGZVFWFLSA-N 1 3 354.564 2.037 20 0 FEADHO C[C@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)CN1CCCC1 ZINC000362198526 554955628 /nfs/dbraw/zinc/95/56/28/554955628.db2.gz GQYKGYCHDAPGEY-OAHLLOKOSA-N 1 3 371.572 2.223 20 0 FEADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362252556 554958171 /nfs/dbraw/zinc/95/81/71/554958171.db2.gz BANCOGCFZVNRSD-RLLQIKCJSA-N 1 3 364.578 2.124 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000362973407 555004397 /nfs/dbraw/zinc/00/43/97/555004397.db2.gz IEAMUZNPFWTGGW-OALUTQOASA-N 1 3 366.550 2.003 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000362973407 555004399 /nfs/dbraw/zinc/00/43/99/555004399.db2.gz IEAMUZNPFWTGGW-OALUTQOASA-N 1 3 366.550 2.003 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000363081380 555026211 /nfs/dbraw/zinc/02/62/11/555026211.db2.gz PZCXFWYFMGICOJ-FPOVZHCZSA-N 1 3 370.541 2.250 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000363081380 555026213 /nfs/dbraw/zinc/02/62/13/555026213.db2.gz PZCXFWYFMGICOJ-FPOVZHCZSA-N 1 3 370.541 2.250 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000363273051 555069112 /nfs/dbraw/zinc/06/91/12/555069112.db2.gz NSEIZYIHQWCWTD-SFHVURJKSA-N 1 3 361.534 2.363 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000363273051 555069114 /nfs/dbraw/zinc/06/91/14/555069114.db2.gz NSEIZYIHQWCWTD-SFHVURJKSA-N 1 3 361.534 2.363 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000363839696 555196942 /nfs/dbraw/zinc/19/69/42/555196942.db2.gz ZDAJBLHFNDROED-XLIONFOSSA-N 1 3 358.530 2.490 20 0 FEADHO C[NH+](C)CCOc1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000364001661 555231077 /nfs/dbraw/zinc/23/10/77/555231077.db2.gz NWTYZBFYCNCQHI-ABSDTBQOSA-N 1 3 361.486 2.098 20 0 FEADHO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000364133818 555256162 /nfs/dbraw/zinc/25/61/62/555256162.db2.gz XFSIAKFJSOZMQU-HNBVOPMISA-N 1 3 359.514 2.151 20 0 FEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000512277227 561898394 /nfs/dbraw/zinc/89/83/94/561898394.db2.gz FZQQHFCSMSCTRA-SFHVURJKSA-N 1 3 362.518 2.406 20 0 FEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000512277227 561898396 /nfs/dbraw/zinc/89/83/96/561898396.db2.gz FZQQHFCSMSCTRA-SFHVURJKSA-N 1 3 362.518 2.406 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)[C@@]3(CCOC)CC[NH2+]C3)c(C)c2)CC1 ZINC000364241797 555276954 /nfs/dbraw/zinc/27/69/54/555276954.db2.gz FTCGRNYAMCXKLO-OAQYLSRUSA-N 1 3 374.529 2.092 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000364639823 555359713 /nfs/dbraw/zinc/35/97/13/555359713.db2.gz DMACWNAWAZDSGB-LJQANCHMSA-N 1 3 358.530 2.108 20 0 FEADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000365443852 555577391 /nfs/dbraw/zinc/57/73/91/555577391.db2.gz PQWKCJQSTTYSQA-ICSRJNTNSA-N 1 3 364.578 2.173 20 0 FEADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000365443852 555577393 /nfs/dbraw/zinc/57/73/93/555577393.db2.gz PQWKCJQSTTYSQA-ICSRJNTNSA-N 1 3 364.578 2.173 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CCN3CCCCC3)c2)[C@@H](C)C1 ZINC000365527137 555599544 /nfs/dbraw/zinc/59/95/44/555599544.db2.gz XQMSMRXYTFMZCH-HKUYNNGSSA-N 1 3 361.534 2.171 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CCN3CCCCC3)c2)[C@@H](C)C1 ZINC000365527137 555599548 /nfs/dbraw/zinc/59/95/48/555599548.db2.gz XQMSMRXYTFMZCH-HKUYNNGSSA-N 1 3 361.534 2.171 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@](O)(C2CC2)C1 ZINC000365834055 555678724 /nfs/dbraw/zinc/67/87/24/555678724.db2.gz AEYBVZGGUJIYTI-VGOFRKELSA-N 1 3 371.525 2.003 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)CN1C1CC1 ZINC000365919007 555701420 /nfs/dbraw/zinc/70/14/20/555701420.db2.gz IEJABHKXSOXFMB-JKSUJKDBSA-N 1 3 357.502 2.317 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)CN1C1CC1 ZINC000365919005 555701525 /nfs/dbraw/zinc/70/15/25/555701525.db2.gz IEJABHKXSOXFMB-HOTGVXAUSA-N 1 3 357.502 2.317 20 0 FEADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000366473859 555853831 /nfs/dbraw/zinc/85/38/31/555853831.db2.gz LXOJUTUSCHTAOY-HXUWFJFHSA-N 1 3 357.498 2.266 20 0 FEADHO Cc1csc(N2CCC([NH2+]CCN3CCN(C)C(C)(C)C3)CC2)n1 ZINC000367021129 555999168 /nfs/dbraw/zinc/99/91/68/555999168.db2.gz CZRBEFJCAOTCOC-UHFFFAOYSA-N 1 3 351.564 2.036 20 0 FEADHO c1cc(NC2CC[NH+](C3CC3)CC2)cc2[nH]c(CCN3CCOCC3)nc12 ZINC000515135237 561997685 /nfs/dbraw/zinc/99/76/85/561997685.db2.gz WNCPBSZLZSSTHP-UHFFFAOYSA-N 1 3 369.513 2.476 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000515279261 562003130 /nfs/dbraw/zinc/00/31/30/562003130.db2.gz XBSPWLXZYNLUNQ-PXNSSMCTSA-N 1 3 359.514 2.090 20 0 FEADHO C[C@@H](CNC(=O)N(C)C1CCN(c2ccncc2)CC1)C[NH+]1CCCC1 ZINC000368956979 556458755 /nfs/dbraw/zinc/45/87/55/556458755.db2.gz WQMGAPVHLFKXCE-KRWDZBQOSA-N 1 3 359.518 2.424 20 0 FEADHO Cc1nc(CN2C[C@@H](F)C[C@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)oc1C ZINC000369128530 556511934 /nfs/dbraw/zinc/51/19/34/556511934.db2.gz VKCJJBYZBSVRCI-XSLAGTTESA-N 1 3 350.482 2.420 20 0 FEADHO Cc1nc(CN2C[C@@H](F)C[C@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)oc1C ZINC000369128530 556511937 /nfs/dbraw/zinc/51/19/37/556511937.db2.gz VKCJJBYZBSVRCI-XSLAGTTESA-N 1 3 350.482 2.420 20 0 FEADHO CN(C[C@H](O)C[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000516175069 562034089 /nfs/dbraw/zinc/03/40/89/562034089.db2.gz CJUBLKNCESCCNP-FUHWJXTLSA-N 1 3 371.447 2.324 20 0 FEADHO C[N@H+](C[C@H](O)CN[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000516175069 562034090 /nfs/dbraw/zinc/03/40/90/562034090.db2.gz CJUBLKNCESCCNP-FUHWJXTLSA-N 1 3 371.447 2.324 20 0 FEADHO C[N@@H+](C[C@H](O)CN[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000516175069 562034091 /nfs/dbraw/zinc/03/40/91/562034091.db2.gz CJUBLKNCESCCNP-FUHWJXTLSA-N 1 3 371.447 2.324 20 0 FEADHO C[N@H+](C[C@@H](O)CNc1cccc(N2CCN(CC3CC3)CC2)c1)C1CC1 ZINC000516277754 562038416 /nfs/dbraw/zinc/03/84/16/562038416.db2.gz HCJPWEFVHGFUDV-NRFANRHFSA-N 1 3 358.530 2.086 20 0 FEADHO C[N@@H+](C[C@@H](O)CNc1cccc(N2CCN(CC3CC3)CC2)c1)C1CC1 ZINC000516277754 562038417 /nfs/dbraw/zinc/03/84/17/562038417.db2.gz HCJPWEFVHGFUDV-NRFANRHFSA-N 1 3 358.530 2.086 20 0 FEADHO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]C2CCN(C3CCCCC3)CC2)C1=O ZINC000369848629 556711173 /nfs/dbraw/zinc/71/11/73/556711173.db2.gz VZKSNYPIMIAMIO-FOIQADDNSA-N 1 3 362.518 2.094 20 0 FEADHO C[C@@H](NC(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1)C1=CCN(C)CC1 ZINC000370001285 556754359 /nfs/dbraw/zinc/75/43/59/556754359.db2.gz ZTQZZFRPNLZGDT-MRXNPFEDSA-N 1 3 357.502 2.342 20 0 FEADHO CN1CC[C@@H](CNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)[C@@H]1c1cccnc1 ZINC000370032822 556762410 /nfs/dbraw/zinc/76/24/10/556762410.db2.gz MRYSWUNALHONRZ-FHWLQOOXSA-N 1 3 373.545 2.494 20 0 FEADHO CN1CC[C@@H](CNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)[C@@H]1c1cccnc1 ZINC000370032822 556762411 /nfs/dbraw/zinc/76/24/11/556762411.db2.gz MRYSWUNALHONRZ-FHWLQOOXSA-N 1 3 373.545 2.494 20 0 FEADHO C[N@H+](CCCO)C1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000370498237 556890922 /nfs/dbraw/zinc/89/09/22/556890922.db2.gz GNGWDFBEGGGVTL-IBGZPJMESA-N 1 3 351.535 2.089 20 0 FEADHO C[N@@H+](CCCO)C1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000370498237 556890924 /nfs/dbraw/zinc/89/09/24/556890924.db2.gz GNGWDFBEGGGVTL-IBGZPJMESA-N 1 3 351.535 2.089 20 0 FEADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3C[NH+]4CCC3CC4)cc2)CC1 ZINC000370611705 556921497 /nfs/dbraw/zinc/92/14/97/556921497.db2.gz CXNLZRNDSVFDDR-HXUWFJFHSA-N 1 3 356.514 2.104 20 0 FEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000370634162 556926379 /nfs/dbraw/zinc/92/63/79/556926379.db2.gz KFNNAYGRZLVYAB-UZKOGDIHSA-N 1 3 371.573 2.050 20 0 FEADHO CC(=O)c1cccc(OC[C@H](O)CN2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000370711552 556946825 /nfs/dbraw/zinc/94/68/25/556946825.db2.gz XHQAJZUNGNMPNW-LJQANCHMSA-N 1 3 360.498 2.437 20 0 FEADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]1CCCN1C1CCOCC1 ZINC000370750731 556956915 /nfs/dbraw/zinc/95/69/15/556956915.db2.gz SBBAHHAXWQMAOB-LJQANCHMSA-N 1 3 351.535 2.353 20 0 FEADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CCCN1C1CCOCC1 ZINC000370750731 556956916 /nfs/dbraw/zinc/95/69/16/556956916.db2.gz SBBAHHAXWQMAOB-LJQANCHMSA-N 1 3 351.535 2.353 20 0 FEADHO COC(=O)c1oc(CN2CCC(C)(C[NH+]3CCOCC3)CC2)cc1C ZINC000371089483 557072461 /nfs/dbraw/zinc/07/24/61/557072461.db2.gz RREQLEIMIJVATH-UHFFFAOYSA-N 1 3 350.459 2.309 20 0 FEADHO COc1cccc(CC(=O)N2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)c1 ZINC000371108992 557078371 /nfs/dbraw/zinc/07/83/71/557078371.db2.gz TUWGNCOIPMBJCX-UXHICEINSA-N 1 3 371.525 2.445 20 0 FEADHO COc1cccc(CC(=O)N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000371108992 557078374 /nfs/dbraw/zinc/07/83/74/557078374.db2.gz TUWGNCOIPMBJCX-UXHICEINSA-N 1 3 371.525 2.445 20 0 FEADHO COc1cccc(CC(=O)N2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000371108992 557078376 /nfs/dbraw/zinc/07/83/76/557078376.db2.gz TUWGNCOIPMBJCX-UXHICEINSA-N 1 3 371.525 2.445 20 0 FEADHO C[C@@H](C(=O)NC(C)(C)C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371155024 557091377 /nfs/dbraw/zinc/09/13/77/557091377.db2.gz GIAMPJYWMPZIPO-KRWDZBQOSA-N 1 3 366.594 2.418 20 0 FEADHO COc1ccc(NC(=O)[C@@H](C)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000371258797 557122466 /nfs/dbraw/zinc/12/24/66/557122466.db2.gz CXJDTBWOVYSRKR-APWZRJJASA-N 1 3 374.529 2.123 20 0 FEADHO CN1CCC(N2CC[C@H]([NH2+]C3CCN(CCC(F)(F)F)CC3)C2)CC1 ZINC000371672890 557259003 /nfs/dbraw/zinc/25/90/03/557259003.db2.gz VTIURDWADANTTB-INIZCTEOSA-N 1 3 362.484 2.161 20 0 FEADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000518939654 562121458 /nfs/dbraw/zinc/12/14/58/562121458.db2.gz RHQFHQZFNGKLJY-HOTGVXAUSA-N 1 3 354.564 2.117 20 0 FEADHO CCC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1)N(C)C ZINC000372539714 557497655 /nfs/dbraw/zinc/49/76/55/557497655.db2.gz LYVAISRWDFXAAG-YTQUADARSA-N 1 3 363.550 2.382 20 0 FEADHO CCC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1)N(C)C ZINC000372539714 557497656 /nfs/dbraw/zinc/49/76/56/557497656.db2.gz LYVAISRWDFXAAG-YTQUADARSA-N 1 3 363.550 2.382 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000519591131 562136211 /nfs/dbraw/zinc/13/62/11/562136211.db2.gz IYXNYECVFNXSKJ-KANFNMMFSA-N 1 3 351.535 2.384 20 0 FEADHO OC1(C[NH2+]Cc2cccc3nccn32)CCN(Cc2ccccc2)CC1 ZINC000519631133 562137939 /nfs/dbraw/zinc/13/79/39/562137939.db2.gz DSUFHWSJPBWQLY-UHFFFAOYSA-N 1 3 350.466 2.451 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCCO1 ZINC000372974608 557600781 /nfs/dbraw/zinc/60/07/81/557600781.db2.gz AXNKETJUAOTRTK-OALUTQOASA-N 1 3 366.550 2.147 20 0 FEADHO CN(C[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CC1 ZINC000520292070 562152744 /nfs/dbraw/zinc/15/27/44/562152744.db2.gz OLWMNCJEIFURIS-ILWGZMRPSA-N 1 3 357.542 2.428 20 0 FEADHO CN(C[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC1 ZINC000520292070 562152745 /nfs/dbraw/zinc/15/27/45/562152745.db2.gz OLWMNCJEIFURIS-ILWGZMRPSA-N 1 3 357.542 2.428 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374185078 557839841 /nfs/dbraw/zinc/83/98/41/557839841.db2.gz WWDQNZGXZNSUNS-UHFFFAOYSA-N 1 3 372.513 2.021 20 0 FEADHO CC(C)N1CCN(CCC[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 ZINC000374301360 557861793 /nfs/dbraw/zinc/86/17/93/557861793.db2.gz HUKLVZWOMVCQRJ-VXKWHMMOSA-N 1 3 373.589 2.422 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 ZINC000374301360 557861795 /nfs/dbraw/zinc/86/17/95/557861795.db2.gz HUKLVZWOMVCQRJ-VXKWHMMOSA-N 1 3 373.589 2.422 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000521217395 562172009 /nfs/dbraw/zinc/17/20/09/562172009.db2.gz ZUDWNKZOKMEJLS-QRQLOZEOSA-N 1 3 359.518 2.076 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000374919712 557951476 /nfs/dbraw/zinc/95/14/76/557951476.db2.gz YVOKZKUEVMZMLZ-MJGOQNOKSA-N 1 3 371.591 2.244 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000374919712 557951477 /nfs/dbraw/zinc/95/14/77/557951477.db2.gz YVOKZKUEVMZMLZ-MJGOQNOKSA-N 1 3 371.591 2.244 20 0 FEADHO C[C@@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000375448978 558029422 /nfs/dbraw/zinc/02/94/22/558029422.db2.gz NNKGYDVJFKUWEI-VBSBHUPXSA-N 1 3 359.514 2.343 20 0 FEADHO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000376134482 558131423 /nfs/dbraw/zinc/13/14/23/558131423.db2.gz WOGLEPKWBRBTDK-JKSUJKDBSA-N 1 3 350.894 2.489 20 0 FEADHO O=C(c1cc(Cl)c[nH]1)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000376134482 558131425 /nfs/dbraw/zinc/13/14/25/558131425.db2.gz WOGLEPKWBRBTDK-JKSUJKDBSA-N 1 3 350.894 2.489 20 0 FEADHO O=C(c1cc(Cl)c[nH]1)N1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000376134482 558131426 /nfs/dbraw/zinc/13/14/26/558131426.db2.gz WOGLEPKWBRBTDK-JKSUJKDBSA-N 1 3 350.894 2.489 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000376652613 558203404 /nfs/dbraw/zinc/20/34/04/558203404.db2.gz KCYBHDMSJNBQGJ-MJGOQNOKSA-N 1 3 366.550 2.144 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376679593 558206919 /nfs/dbraw/zinc/20/69/19/558206919.db2.gz KUOQCFAATAIWBE-FHWLQOOXSA-N 1 3 359.518 2.200 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376679593 558206920 /nfs/dbraw/zinc/20/69/20/558206920.db2.gz KUOQCFAATAIWBE-FHWLQOOXSA-N 1 3 359.518 2.200 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CCC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000376912614 558238003 /nfs/dbraw/zinc/23/80/03/558238003.db2.gz YAGKJRSGMRGICR-RTWAWAEBSA-N 1 3 372.557 2.356 20 0 FEADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000377513140 558355033 /nfs/dbraw/zinc/35/50/33/558355033.db2.gz RYAJINRPEFGMMB-PMACEKPBSA-N 1 3 357.498 2.266 20 0 FEADHO CC(C)(C)OC(=O)NCCOCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000377820723 558426345 /nfs/dbraw/zinc/42/63/45/558426345.db2.gz HKHFNKFXBKWJQB-AEFFLSMTSA-N 1 3 367.534 2.476 20 0 FEADHO CC(C)(C)OC(=O)NCCOCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000377820723 558426346 /nfs/dbraw/zinc/42/63/46/558426346.db2.gz HKHFNKFXBKWJQB-AEFFLSMTSA-N 1 3 367.534 2.476 20 0 FEADHO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)CC1(N2CCOCC2)CCCC1 ZINC000378188037 558498925 /nfs/dbraw/zinc/49/89/25/558498925.db2.gz QPWJQYYRDGXZNK-UHFFFAOYSA-N 1 3 357.498 2.460 20 0 FEADHO COc1ccc(OCCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000378320488 558529107 /nfs/dbraw/zinc/52/91/07/558529107.db2.gz PSKCBQSQVFQMFN-GHTZIAJQSA-N 1 3 361.530 2.422 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000378497833 558570077 /nfs/dbraw/zinc/57/00/77/558570077.db2.gz RPTWDKRSGMOXJI-HFSMHLIXSA-N 1 3 371.525 2.267 20 0 FEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390898238 558612975 /nfs/dbraw/zinc/61/29/75/558612975.db2.gz RDWQGGKHUCXWIB-RTBURBONSA-N 1 3 361.530 2.418 20 0 FEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390898236 558613370 /nfs/dbraw/zinc/61/33/70/558613370.db2.gz RDWQGGKHUCXWIB-OALUTQOASA-N 1 3 361.530 2.418 20 0 FEADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000524904606 562237370 /nfs/dbraw/zinc/23/73/70/562237370.db2.gz SSPODASDRLPXOT-CQSZACIVSA-N 1 3 372.460 2.484 20 0 FEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)C1 ZINC000411270864 558865390 /nfs/dbraw/zinc/86/53/90/558865390.db2.gz YGDWRNKHLFMBBZ-QGZVFWFLSA-N 1 3 374.529 2.185 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)C[C@@H]1C ZINC000411296674 558871224 /nfs/dbraw/zinc/87/12/24/558871224.db2.gz KWJHNTIFKRJDJJ-QFBILLFUSA-N 1 3 374.529 2.326 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)C[C@@H]1C ZINC000411296674 558871225 /nfs/dbraw/zinc/87/12/25/558871225.db2.gz KWJHNTIFKRJDJJ-QFBILLFUSA-N 1 3 374.529 2.326 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(-c2ccncc2)cc1 ZINC000525438437 562248227 /nfs/dbraw/zinc/24/82/27/562248227.db2.gz BONGGJMHUFLBHG-UHFFFAOYSA-N 1 3 369.513 2.383 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NCC[N@H+]3CC[C@H](C)C3)cc2)CC1 ZINC000525805526 562255644 /nfs/dbraw/zinc/25/56/44/562255644.db2.gz OKBQRXWMPQXZSE-SFHVURJKSA-N 1 3 358.530 2.289 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NCC[N@@H+]3CC[C@H](C)C3)cc2)CC1 ZINC000525805526 562255643 /nfs/dbraw/zinc/25/56/43/562255643.db2.gz OKBQRXWMPQXZSE-SFHVURJKSA-N 1 3 358.530 2.289 20 0 FEADHO CN1CCN(CCCC[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000525981496 562262103 /nfs/dbraw/zinc/26/21/03/562262103.db2.gz LRVNFNQKSBQBPM-UHFFFAOYSA-N 1 3 362.909 2.038 20 0 FEADHO CCCN1CCC[C@@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413976252 559144611 /nfs/dbraw/zinc/14/46/11/559144611.db2.gz JJVIDWFPMDPIEY-LJQANCHMSA-N 1 3 359.514 2.004 20 0 FEADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc(F)cc(F)c1 ZINC000414186285 559151903 /nfs/dbraw/zinc/15/19/03/559151903.db2.gz HJASRUCFCDYVSR-HNNXBMFYSA-N 1 3 353.457 2.412 20 0 FEADHO C[N@@H+]1CCC[C@@H](CCN[C@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000414184729 559151974 /nfs/dbraw/zinc/15/19/74/559151974.db2.gz OFGOICFQKDOGGM-KSSFIOAISA-N 1 3 351.516 2.033 20 0 FEADHO C[N@H+]1CCC[C@@H](CCN[C@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000414184729 559151976 /nfs/dbraw/zinc/15/19/76/559151976.db2.gz OFGOICFQKDOGGM-KSSFIOAISA-N 1 3 351.516 2.033 20 0 FEADHO C[C@@H](CCCc1cccnc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414203965 559152899 /nfs/dbraw/zinc/15/28/99/559152899.db2.gz VVAFRLFVRDBHHP-IBGZPJMESA-N 1 3 360.546 2.179 20 0 FEADHO CCN1CCN(CCC[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000414281035 559154913 /nfs/dbraw/zinc/15/49/13/559154913.db2.gz FBTQHXSWWZUEAU-UHFFFAOYSA-N 1 3 359.493 2.437 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)C1 ZINC000414739731 559183499 /nfs/dbraw/zinc/18/34/99/559183499.db2.gz JHAQWRQGCADURD-QGZVFWFLSA-N 1 3 363.477 2.004 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)C1 ZINC000414739731 559183500 /nfs/dbraw/zinc/18/35/00/559183500.db2.gz JHAQWRQGCADURD-QGZVFWFLSA-N 1 3 363.477 2.004 20 0 FEADHO COc1ccccc1CC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414750840 559184627 /nfs/dbraw/zinc/18/46/27/559184627.db2.gz RXHUKJVZGSZNDK-GOSISDBHSA-N 1 3 359.514 2.147 20 0 FEADHO Cc1nc2ccccc2n1C1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414753162 559184909 /nfs/dbraw/zinc/18/49/09/559184909.db2.gz LUTVNZWEHCRQCW-QGZVFWFLSA-N 1 3 369.513 2.179 20 0 FEADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000414754522 559185273 /nfs/dbraw/zinc/18/52/73/559185273.db2.gz GGSJYEWYEBBXTA-MSOLQXFVSA-N 1 3 374.529 2.313 20 0 FEADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000414754522 559185274 /nfs/dbraw/zinc/18/52/74/559185274.db2.gz GGSJYEWYEBBXTA-MSOLQXFVSA-N 1 3 374.529 2.313 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415066557 559203471 /nfs/dbraw/zinc/20/34/71/559203471.db2.gz JHTVTJJQPRMRDS-HXUWFJFHSA-N 1 3 374.554 2.495 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000415121607 559206455 /nfs/dbraw/zinc/20/64/55/559206455.db2.gz MWHUPBKFFDVXCI-MRXNPFEDSA-N 1 3 360.502 2.115 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](CN)C2CCCCC2)cc1 ZINC000415420874 559233994 /nfs/dbraw/zinc/23/39/94/559233994.db2.gz BEPHVCJAZZKYQJ-IBGZPJMESA-N 1 3 374.529 2.491 20 0 FEADHO CC(C)C[C@H](CN)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415422919 559234466 /nfs/dbraw/zinc/23/44/66/559234466.db2.gz DYNSJQAFKQDUTI-QFBILLFUSA-N 1 3 374.529 2.347 20 0 FEADHO CC(C)C[C@H](CN)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415422919 559234467 /nfs/dbraw/zinc/23/44/67/559234467.db2.gz DYNSJQAFKQDUTI-QFBILLFUSA-N 1 3 374.529 2.347 20 0 FEADHO C[N@H+](Cc1ccccc1NC(=O)C(=O)N[C@@H](CN)C1CC1)C1CCCCC1 ZINC000415446916 559238020 /nfs/dbraw/zinc/23/80/20/559238020.db2.gz GSTHOEIVVFHBBW-IBGZPJMESA-N 1 3 372.513 2.243 20 0 FEADHO C[N@@H+](Cc1ccccc1NC(=O)C(=O)N[C@@H](CN)C1CC1)C1CCCCC1 ZINC000415446916 559238021 /nfs/dbraw/zinc/23/80/21/559238021.db2.gz GSTHOEIVVFHBBW-IBGZPJMESA-N 1 3 372.513 2.243 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000415490072 559242866 /nfs/dbraw/zinc/24/28/66/559242866.db2.gz NFFPYJYSKMZETL-HNNXBMFYSA-N 1 3 368.481 2.331 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)c1 ZINC000415655271 559258563 /nfs/dbraw/zinc/25/85/63/559258563.db2.gz HMQSKHKFZFWAKD-UHFFFAOYSA-N 1 3 368.481 2.064 20 0 FEADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000415670945 559260428 /nfs/dbraw/zinc/26/04/28/559260428.db2.gz CDZKULOCIFSECF-QGZVFWFLSA-N 1 3 372.513 2.198 20 0 FEADHO CCCN(CCN1CCN(CC)CC1)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415932044 559283101 /nfs/dbraw/zinc/28/31/01/559283101.db2.gz NKMLASXQUHJTPI-UHFFFAOYSA-N 1 3 361.534 2.287 20 0 FEADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415958932 559285026 /nfs/dbraw/zinc/28/50/26/559285026.db2.gz OILDOCBUEQFBBW-NRFANRHFSA-N 1 3 368.481 2.246 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000415990867 559287427 /nfs/dbraw/zinc/28/74/27/559287427.db2.gz DOZBJVPJPBPDPN-SNPRPXQTSA-N 1 3 358.408 2.401 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NCCC[NH2+]C2CC2)N2CCCC2)cc1 ZINC000416831438 559334315 /nfs/dbraw/zinc/33/43/15/559334315.db2.gz VOCRIVXXBLKWJN-LJQANCHMSA-N 1 3 360.502 2.273 20 0 FEADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)N(C)C)cc1 ZINC000416834974 559334537 /nfs/dbraw/zinc/33/45/37/559334537.db2.gz FBMYOJNJWSUTNJ-HSALFYBXSA-N 1 3 358.530 2.493 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000416976998 559341474 /nfs/dbraw/zinc/34/14/74/559341474.db2.gz OXZUSUOWLWNUJE-OAQYLSRUSA-N 1 3 356.514 2.354 20 0 FEADHO CC[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCc2ccccc2C1 ZINC000417019839 559344140 /nfs/dbraw/zinc/34/41/40/559344140.db2.gz RIMLSABMEXBTKL-ZVDOUQERSA-N 1 3 370.541 2.464 20 0 FEADHO [NH3+]CCCOC1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000417044963 559345471 /nfs/dbraw/zinc/34/54/71/559345471.db2.gz YNFMJVRVHRSDTE-FQEVSTJZSA-N 1 3 374.529 2.363 20 0 FEADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000417148584 559349988 /nfs/dbraw/zinc/34/99/88/559349988.db2.gz HCRJZTALLCLJAC-RTBURBONSA-N 1 3 373.545 2.015 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000417181087 559351804 /nfs/dbraw/zinc/35/18/04/559351804.db2.gz HLJSPSQTJQCOTQ-HXUWFJFHSA-N 1 3 352.482 2.262 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417354981 559358842 /nfs/dbraw/zinc/35/88/42/559358842.db2.gz AIXZYTVJPYWMIU-BBWFWOEESA-N 1 3 362.543 2.211 20 0 FEADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)N2CCCC2)cc1 ZINC000417352840 559358904 /nfs/dbraw/zinc/35/89/04/559358904.db2.gz HHHYWEVDPYLDCP-AABGKKOBSA-N 1 3 356.514 2.383 20 0 FEADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@H](C)CN1 ZINC000417368673 559359515 /nfs/dbraw/zinc/35/95/15/559359515.db2.gz QFYABHTWFZRJBS-OAGGEKHMSA-N 1 3 350.532 2.352 20 0 FEADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H](C)CN1 ZINC000417368673 559359516 /nfs/dbraw/zinc/35/95/16/559359516.db2.gz QFYABHTWFZRJBS-OAGGEKHMSA-N 1 3 350.532 2.352 20 0 FEADHO CN(C(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C1CC[NH2+]CC1 ZINC000417367732 559359587 /nfs/dbraw/zinc/35/95/87/559359587.db2.gz PEQNHJLHCXABNG-OAHLLOKOSA-N 1 3 350.532 2.354 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417385977 559360364 /nfs/dbraw/zinc/36/03/64/559360364.db2.gz SFZXNQYSGHNFQP-SJORKVTESA-N 1 3 362.543 2.496 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000417516813 559365703 /nfs/dbraw/zinc/36/57/03/559365703.db2.gz ORNIYILHPABVRK-LMMKCTJWSA-N 1 3 362.518 2.075 20 0 FEADHO C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)CC1 ZINC000417593730 559368537 /nfs/dbraw/zinc/36/85/37/559368537.db2.gz KVIAIWSBYXTPLS-QGZVFWFLSA-N 1 3 374.529 2.430 20 0 FEADHO COc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCCN(C)C ZINC000417652337 559370423 /nfs/dbraw/zinc/37/04/23/559370423.db2.gz PCCOALIXWKBBHS-GDBMZVCRSA-N 1 3 364.490 2.240 20 0 FEADHO COc1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCCN(C)C ZINC000417652337 559370424 /nfs/dbraw/zinc/37/04/24/559370424.db2.gz PCCOALIXWKBBHS-GDBMZVCRSA-N 1 3 364.490 2.240 20 0 FEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000417696897 559372963 /nfs/dbraw/zinc/37/29/63/559372963.db2.gz VXHVSKMYEPQXFA-CZUORRHYSA-N 1 3 354.445 2.494 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)Cc2ccccc2C1 ZINC000417730287 559374415 /nfs/dbraw/zinc/37/44/15/559374415.db2.gz DMKKWYCFOIPMHV-UXHICEINSA-N 1 3 370.541 2.117 20 0 FEADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417795222 559376651 /nfs/dbraw/zinc/37/66/51/559376651.db2.gz OBFUMQCCKSHYDT-QUCCMNQESA-N 1 3 356.514 2.437 20 0 FEADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000417795222 559376652 /nfs/dbraw/zinc/37/66/52/559376652.db2.gz OBFUMQCCKSHYDT-QUCCMNQESA-N 1 3 356.514 2.437 20 0 FEADHO CN(C)[C@]1(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCSC1 ZINC000417828240 559378118 /nfs/dbraw/zinc/37/81/18/559378118.db2.gz OQTYYYYIMXWDDI-AEFFLSMTSA-N 1 3 350.532 2.203 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417830110 559378218 /nfs/dbraw/zinc/37/82/18/559378218.db2.gz RNDJFXFCYRYFHD-GTAWCEEGSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417831988 559378414 /nfs/dbraw/zinc/37/84/14/559378414.db2.gz SRKHRQODIYMBOI-LMCOJAPRSA-N 1 3 356.514 2.148 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418012797 559386573 /nfs/dbraw/zinc/38/65/73/559386573.db2.gz MEXIBIMGMQMFJS-FFGOWVMKSA-N 1 3 356.514 2.148 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418013212 559386607 /nfs/dbraw/zinc/38/66/07/559386607.db2.gz MUJLGXCREAKBJY-HKUYNNGSSA-N 1 3 356.514 2.292 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000418020126 559386951 /nfs/dbraw/zinc/38/69/51/559386951.db2.gz ZDZABXBHMXBJES-XLIONFOSSA-N 1 3 374.529 2.046 20 0 FEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418031157 559387305 /nfs/dbraw/zinc/38/73/05/559387305.db2.gz KOIODMAODBZXSZ-ZCNNSNEGSA-N 1 3 358.530 2.394 20 0 FEADHO C[C@]1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000418037944 559387483 /nfs/dbraw/zinc/38/74/83/559387483.db2.gz DXUFGFAZARYFTK-SFHLNBCPSA-N 1 3 356.514 2.435 20 0 FEADHO C[NH2+][C@H]1CCCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000418100476 559390036 /nfs/dbraw/zinc/39/00/36/559390036.db2.gz DLAMHCZKURXSHQ-NFOMZHRRSA-N 1 3 362.440 2.185 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000418145551 559391784 /nfs/dbraw/zinc/39/17/84/559391784.db2.gz OJCCMVWSMYUQMD-HSALFYBXSA-N 1 3 356.514 2.148 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000418145554 559391842 /nfs/dbraw/zinc/39/18/42/559391842.db2.gz OJCCMVWSMYUQMD-XUVXKRRUSA-N 1 3 356.514 2.148 20 0 FEADHO C[C@@H]1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C[C@H]1C[NH3+] ZINC000418162671 559392487 /nfs/dbraw/zinc/39/24/87/559392487.db2.gz GMFXTBYJJQCGJX-SJLPKXTDSA-N 1 3 374.529 2.286 20 0 FEADHO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000418170847 559392940 /nfs/dbraw/zinc/39/29/40/559392940.db2.gz PGUYWYVWMVJUIW-SFHVURJKSA-N 1 3 374.529 2.301 20 0 FEADHO CCCN(C)[C@@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418184351 559393322 /nfs/dbraw/zinc/39/33/22/559393322.db2.gz PTZZEQUSYOPIDL-IRXDYDNUSA-N 1 3 368.909 2.092 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1Cc1ccccc1 ZINC000418188584 559393403 /nfs/dbraw/zinc/39/34/03/559393403.db2.gz GJYHRSLKSWRMJP-LMCOJAPRSA-N 1 3 356.514 2.290 20 0 FEADHO CO[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)[C@H](C[NH3+])C1 ZINC000418190934 559393462 /nfs/dbraw/zinc/39/34/62/559393462.db2.gz WSXQJMWCINMMBD-NTDBWNAOSA-N 1 3 362.518 2.134 20 0 FEADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418194827 559393598 /nfs/dbraw/zinc/39/35/98/559393598.db2.gz FSRUXTMQVAWHRT-HKUYNNGSSA-N 1 3 362.518 2.470 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000418216231 559394200 /nfs/dbraw/zinc/39/42/00/559394200.db2.gz ZJRPTEFLLURSDR-MSOLQXFVSA-N 1 3 350.507 2.359 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCN[C@@H](C)[C@H]2C)N(C)C)cc1 ZINC000418214693 559394252 /nfs/dbraw/zinc/39/42/52/559394252.db2.gz XPVFSRVZNWKNHQ-FCEWJHQRSA-N 1 3 362.518 2.468 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)N(C)C)cc1 ZINC000418214693 559394253 /nfs/dbraw/zinc/39/42/53/559394253.db2.gz XPVFSRVZNWKNHQ-FCEWJHQRSA-N 1 3 362.518 2.468 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCN[C@@H](C)[C@H]2C)[NH+](C)C)cc1 ZINC000418214693 559394254 /nfs/dbraw/zinc/39/42/54/559394254.db2.gz XPVFSRVZNWKNHQ-FCEWJHQRSA-N 1 3 362.518 2.468 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NCCC[NH2+]C2CC2)N(C)C)cc1 ZINC000418232142 559394823 /nfs/dbraw/zinc/39/48/23/559394823.db2.gz MCEYBIXOJIOTFV-KRWDZBQOSA-N 1 3 350.532 2.453 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)N(C)C)cc1 ZINC000418235725 559394975 /nfs/dbraw/zinc/39/49/75/559394975.db2.gz SYZZVQVDKJJDDV-LXZKKBNFSA-N 1 3 350.532 2.390 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)N(C)C)cc1 ZINC000418236316 559394998 /nfs/dbraw/zinc/39/49/98/559394998.db2.gz UTERXKWZAPLOHW-COXVUDFISA-N 1 3 350.532 2.308 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)N(C)C)cc1 ZINC000418235726 559395032 /nfs/dbraw/zinc/39/50/32/559395032.db2.gz SYZZVQVDKJJDDV-QRTARXTBSA-N 1 3 350.532 2.390 20 0 FEADHO CO[C@H]1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)[C@@H](C[NH3+])C1 ZINC000418241580 559395288 /nfs/dbraw/zinc/39/52/88/559395288.db2.gz KGVPVHMDSSTIEJ-MOPGFXCFSA-N 1 3 374.529 2.189 20 0 FEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418326810 559397488 /nfs/dbraw/zinc/39/74/88/559397488.db2.gz YMCPMJSWFGPEFD-INIZCTEOSA-N 1 3 352.910 2.413 20 0 FEADHO O=C(NCCCNCc1cccnc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000418334159 559397821 /nfs/dbraw/zinc/39/78/21/559397821.db2.gz WKXFYAMEWVUGEC-RBUKOAKNSA-N 1 3 359.518 2.125 20 0 FEADHO CN(C(=O)NCC[C@@H]1CCC[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000418352973 559398600 /nfs/dbraw/zinc/39/86/00/559398600.db2.gz UOCKXLVZWWVMKU-SFHVURJKSA-N 1 3 373.545 2.120 20 0 FEADHO O=C(N[C@@H]1CCC[NH2+]C1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418372966 559399438 /nfs/dbraw/zinc/39/94/38/559399438.db2.gz BDEBHDBHGHQPHF-TZIWHRDSSA-N 1 3 356.514 2.436 20 0 FEADHO CCC([NH3+])(CC)CNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418445197 559401896 /nfs/dbraw/zinc/40/18/96/559401896.db2.gz XREPBBVQEBIZMF-HOTGVXAUSA-N 1 3 354.539 2.035 20 0 FEADHO [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418636228 559408883 /nfs/dbraw/zinc/40/88/83/559408883.db2.gz LUOUVQLXERWFDI-HXUWFJFHSA-N 1 3 352.482 2.434 20 0 FEADHO CN1CC[C@H]2CCN(C(=O)NC[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)[C@H]2C1 ZINC000418729095 559412737 /nfs/dbraw/zinc/41/27/37/559412737.db2.gz NTPFGKDDRJDEOG-XEYPJELSSA-N 1 3 374.504 2.254 20 0 FEADHO CN1CC[C@H]2CCN(C(=O)NC[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)[C@@H]2C1 ZINC000418729094 559412781 /nfs/dbraw/zinc/41/27/81/559412781.db2.gz NTPFGKDDRJDEOG-RAUXBKROSA-N 1 3 374.504 2.254 20 0 FEADHO CC[C@H]([NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418730225 559412915 /nfs/dbraw/zinc/41/29/15/559412915.db2.gz OTBFRRURHPGHFA-HNNXBMFYSA-N 1 3 371.323 2.260 20 0 FEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CNCCC1(F)F ZINC000418746468 559413524 /nfs/dbraw/zinc/41/35/24/559413524.db2.gz HZKPRVKNILPCJW-INIZCTEOSA-N 1 3 354.445 2.277 20 0 FEADHO O=C(N[C@H]1CNCCC1(F)F)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000418775437 559415434 /nfs/dbraw/zinc/41/54/34/559415434.db2.gz WLMKGLMQEVSOEM-INIZCTEOSA-N 1 3 358.477 2.281 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418789303 559416146 /nfs/dbraw/zinc/41/61/46/559416146.db2.gz KUNYEHZUWKNHFU-GVDBMIGSSA-N 1 3 350.532 2.209 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1COCc2ccccc21 ZINC000419553790 559447580 /nfs/dbraw/zinc/44/75/80/559447580.db2.gz GMWQPVPUKLOUDZ-ICSRJNTNSA-N 1 3 374.529 2.315 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1COCc2ccccc21 ZINC000419553790 559447581 /nfs/dbraw/zinc/44/75/81/559447581.db2.gz GMWQPVPUKLOUDZ-ICSRJNTNSA-N 1 3 374.529 2.315 20 0 FEADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420321342 559480199 /nfs/dbraw/zinc/48/01/99/559480199.db2.gz RAFSXHLIBSAGNA-SJORKVTESA-N 1 3 362.493 2.160 20 0 FEADHO Cc1cccc(OCCCNC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420327232 559480687 /nfs/dbraw/zinc/48/06/87/559480687.db2.gz LCQGNJDIDJCIRQ-OALUTQOASA-N 1 3 359.514 2.202 20 0 FEADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000420343741 559482040 /nfs/dbraw/zinc/48/20/40/559482040.db2.gz REAANSRWSUERMB-IAGOWNOFSA-N 1 3 358.486 2.273 20 0 FEADHO CC[C@H]1CCCCN1C(=O)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000421019565 559520002 /nfs/dbraw/zinc/52/00/02/559520002.db2.gz YGNPPLRETRINAY-IBGZPJMESA-N 1 3 364.578 2.270 20 0 FEADHO CC[C@H]1CCCCN1C(=O)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000421019565 559520003 /nfs/dbraw/zinc/52/00/03/559520003.db2.gz YGNPPLRETRINAY-IBGZPJMESA-N 1 3 364.578 2.270 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N=c1cc(C)n(C(C)C)[nH]1 ZINC000421169705 559528305 /nfs/dbraw/zinc/52/83/05/559528305.db2.gz OZIDOIYEIOVBEY-KRWDZBQOSA-N 1 3 364.538 2.652 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N=c1cc(C)n(C(C)C)[nH]1 ZINC000421169705 559528306 /nfs/dbraw/zinc/52/83/06/559528306.db2.gz OZIDOIYEIOVBEY-KRWDZBQOSA-N 1 3 364.538 2.652 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc(N(C)C)s3)CC2)CC1 ZINC000421369800 559540362 /nfs/dbraw/zinc/54/03/62/559540362.db2.gz HSYKKMAEWJBZNA-UHFFFAOYSA-N 1 3 351.564 2.201 20 0 FEADHO CCN1CCC([N@H+]2CCCN(Cc3cnc(N(C)C)s3)CC2)CC1 ZINC000421369800 559540363 /nfs/dbraw/zinc/54/03/63/559540363.db2.gz HSYKKMAEWJBZNA-UHFFFAOYSA-N 1 3 351.564 2.201 20 0 FEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](Cc1ccccc1)CN1CCOCC1 ZINC000422701968 559603449 /nfs/dbraw/zinc/60/34/49/559603449.db2.gz CUCWPPHFIKTUGI-WIYYLYMNSA-N 1 3 368.525 2.443 20 0 FEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000422701966 559603465 /nfs/dbraw/zinc/60/34/65/559603465.db2.gz CUCWPPHFIKTUGI-NQIIRXRSSA-N 1 3 368.525 2.443 20 0 FEADHO CCC[C@@H](N[C@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1nnc2ccccn21 ZINC000422739434 559605017 /nfs/dbraw/zinc/60/50/17/559605017.db2.gz LGKWOQYZPUNZOW-HZPDHXFCSA-N 1 3 373.501 2.482 20 0 FEADHO CCC[C@H](N[C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1nnc2ccccn21 ZINC000422739433 559605047 /nfs/dbraw/zinc/60/50/47/559605047.db2.gz LGKWOQYZPUNZOW-HOTGVXAUSA-N 1 3 373.501 2.482 20 0 FEADHO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000422777652 559606388 /nfs/dbraw/zinc/60/63/88/559606388.db2.gz COZWUWKFQAJIOA-YESZJQIVSA-N 1 3 362.518 2.142 20 0 FEADHO O=C1NC2(CCCC2)C(=O)N1CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422777652 559606389 /nfs/dbraw/zinc/60/63/89/559606389.db2.gz COZWUWKFQAJIOA-YESZJQIVSA-N 1 3 362.518 2.142 20 0 FEADHO CN1CCN(c2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cn2)CC1 ZINC000422815492 559607177 /nfs/dbraw/zinc/60/71/77/559607177.db2.gz BWZHRKTXGHMXNH-XUVXKRRUSA-N 1 3 357.546 2.234 20 0 FEADHO FC(F)(F)c1ccc(NCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000422825923 559607532 /nfs/dbraw/zinc/60/75/32/559607532.db2.gz BCCIGAPEKMCJGE-HRCADAONSA-N 1 3 372.435 2.649 20 0 FEADHO COc1cc(C[C@H](CO)CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc(OC)c1 ZINC000422826948 559607794 /nfs/dbraw/zinc/60/77/94/559607794.db2.gz RPVJRYXGLBDHTN-LRGNLBRXSA-N 1 3 362.514 2.365 20 0 FEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000422826444 559607800 /nfs/dbraw/zinc/60/78/00/559607800.db2.gz LNKOZIBJDCBEHM-AWEZNQCLSA-N 1 3 373.501 2.144 20 0 FEADHO O=C(NCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000422881611 559609685 /nfs/dbraw/zinc/60/96/85/559609685.db2.gz QRVLNUXRXIQHDE-XYPWUTKMSA-N 1 3 366.303 2.442 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000422899570 559610441 /nfs/dbraw/zinc/61/04/41/559610441.db2.gz HQPBZOBUKKDAFH-OPDFLTKYSA-N 1 3 363.285 2.075 20 0 FEADHO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)C[C@H](C)N)c1 ZINC000422904559 559610543 /nfs/dbraw/zinc/61/05/43/559610543.db2.gz GYHVBLRJKCAHNU-RYUDHWBXSA-N 1 3 372.307 2.293 20 0 FEADHO COc1ccc(Br)c(C(=O)NCCCN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422904559 559610544 /nfs/dbraw/zinc/61/05/44/559610544.db2.gz GYHVBLRJKCAHNU-RYUDHWBXSA-N 1 3 372.307 2.293 20 0 FEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000422911114 559610864 /nfs/dbraw/zinc/61/08/64/559610864.db2.gz SGHSYAABCYENQK-XLIONFOSSA-N 1 3 360.546 2.378 20 0 FEADHO COC[C@@H](CCC[NH3+])N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000423044665 559616230 /nfs/dbraw/zinc/61/62/30/559616230.db2.gz RCOWASWQDVUNBX-ABAIWWIYSA-N 1 3 360.285 2.442 20 0 FEADHO COc1ccc(C[C@H](CO)C[NH2+][C@H]2CCC[C@@H]2CN)cc1Br ZINC000423168503 559621650 /nfs/dbraw/zinc/62/16/50/559621650.db2.gz YDGCMTLIRLCJPE-LZWOXQAQSA-N 1 3 371.319 2.326 20 0 FEADHO COc1ccc(C[C@H](CO)CN[C@H]2CCC[C@@H]2C[NH3+])cc1Br ZINC000423168503 559621651 /nfs/dbraw/zinc/62/16/51/559621651.db2.gz YDGCMTLIRLCJPE-LZWOXQAQSA-N 1 3 371.319 2.326 20 0 FEADHO COCCN1CCC([NH2+][C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000423373874 559627059 /nfs/dbraw/zinc/62/70/59/559627059.db2.gz SKPQJJYPNCGAPD-QFBILLFUSA-N 1 3 353.457 2.111 20 0 FEADHO COC[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423446419 559629420 /nfs/dbraw/zinc/62/94/20/559629420.db2.gz CONAYSAZASWBDT-AOIWGVFYSA-N 1 3 365.905 2.264 20 0 FEADHO CN(C)CCN(CC1CCCCC1)C(=O)CCCN1CCC([NH3+])CC1 ZINC000423761287 559638682 /nfs/dbraw/zinc/63/86/82/559638682.db2.gz OIDBCXHHUWZNRP-UHFFFAOYSA-N 1 3 352.567 2.160 20 0 FEADHO N[C@H](CC(F)F)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423849275 559642677 /nfs/dbraw/zinc/64/26/77/559642677.db2.gz OLBAGYQMNSDFMB-MRXNPFEDSA-N 1 3 351.441 2.484 20 0 FEADHO N[C@H](CC(F)F)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423849275 559642678 /nfs/dbraw/zinc/64/26/78/559642678.db2.gz OLBAGYQMNSDFMB-MRXNPFEDSA-N 1 3 351.441 2.484 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000423852471 559642756 /nfs/dbraw/zinc/64/27/56/559642756.db2.gz RQTKEPJTAYOCEH-UZLBHIALSA-N 1 3 352.482 2.293 20 0 FEADHO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000423852471 559642757 /nfs/dbraw/zinc/64/27/57/559642757.db2.gz RQTKEPJTAYOCEH-UZLBHIALSA-N 1 3 352.482 2.293 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000423852471 559642758 /nfs/dbraw/zinc/64/27/58/559642758.db2.gz RQTKEPJTAYOCEH-UZLBHIALSA-N 1 3 352.482 2.293 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)CC1 ZINC000424445392 559665365 /nfs/dbraw/zinc/66/53/65/559665365.db2.gz FJAIPQJDXZTLKR-UHFFFAOYSA-N 1 3 374.529 2.363 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)CC1 ZINC000424445392 559665366 /nfs/dbraw/zinc/66/53/66/559665366.db2.gz FJAIPQJDXZTLKR-UHFFFAOYSA-N 1 3 374.529 2.363 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(NC(C)=O)c1 ZINC000424632738 559671792 /nfs/dbraw/zinc/67/17/92/559671792.db2.gz CEYDILAOGMSGCA-HXUWFJFHSA-N 1 3 374.529 2.062 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(NC(C)=O)c1 ZINC000424632738 559671793 /nfs/dbraw/zinc/67/17/93/559671793.db2.gz CEYDILAOGMSGCA-HXUWFJFHSA-N 1 3 374.529 2.062 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000426382540 559733777 /nfs/dbraw/zinc/73/37/77/559733777.db2.gz SCCUWYGFKVFWAB-KRWDZBQOSA-N 1 3 366.550 2.003 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000430556308 559822468 /nfs/dbraw/zinc/82/24/68/559822468.db2.gz YPKKSVJMIUOQLR-TZIWHRDSSA-N 1 3 372.557 2.089 20 0 FEADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430591752 559823949 /nfs/dbraw/zinc/82/39/49/559823949.db2.gz BPBHQUGUTYHRNO-SFHVURJKSA-N 1 3 360.502 2.447 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000430933116 559830780 /nfs/dbraw/zinc/83/07/80/559830780.db2.gz HBEYRTBVICUNRN-LSDHHAIUSA-N 1 3 363.502 2.110 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@H](C)N2CCC([C@@H](C)[NH3+])CC2)cc1OC ZINC000430933110 559830800 /nfs/dbraw/zinc/83/08/00/559830800.db2.gz HBEYRTBVICUNRN-CABCVRRESA-N 1 3 363.502 2.110 20 0 FEADHO O=C(COc1ccccc1CN1CCC2(CC[NH2+]C2)CC1)NCC1CC1 ZINC000430950651 559831352 /nfs/dbraw/zinc/83/13/52/559831352.db2.gz IMMQVJXSSIEUOO-UHFFFAOYSA-N 1 3 357.498 2.167 20 0 FEADHO C[C@H](OCCCNC(=O)CN1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000431018119 559832498 /nfs/dbraw/zinc/83/24/98/559832498.db2.gz UMBUPOGOFPMIDA-SFHVURJKSA-N 1 3 359.514 2.346 20 0 FEADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000431023199 559832656 /nfs/dbraw/zinc/83/26/56/559832656.db2.gz GWWWHNGKLRRJMU-RBBKRZOGSA-N 1 3 373.541 2.373 20 0 FEADHO C[NH+](C)[C@@H](CC(=O)N1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC000431794871 559846023 /nfs/dbraw/zinc/84/60/23/559846023.db2.gz NPHIQWBBXYJOMW-FQEVSTJZSA-N 1 3 359.514 2.250 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]CCCN2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC000432421163 559858402 /nfs/dbraw/zinc/85/84/02/559858402.db2.gz OEGGYBWVKPPLHW-ZCNNSNEGSA-N 1 3 355.567 2.214 20 0 FEADHO COc1cc(CN2CCC[C@@](C)(O)C2)cc(C[N@@H+]2CCC[C@@](C)(O)C2)c1 ZINC000432783420 559864804 /nfs/dbraw/zinc/86/48/04/559864804.db2.gz ZNSJERUZSIACOB-NHCUHLMSSA-N 1 3 362.514 2.389 20 0 FEADHO COc1cc(CN2CCC[C@@](C)(O)C2)cc(C[N@H+]2CCC[C@@](C)(O)C2)c1 ZINC000432783420 559864805 /nfs/dbraw/zinc/86/48/05/559864805.db2.gz ZNSJERUZSIACOB-NHCUHLMSSA-N 1 3 362.514 2.389 20 0 FEADHO C[C@@H]1CCN(C(=O)CCCN2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000433130173 559872821 /nfs/dbraw/zinc/87/28/21/559872821.db2.gz HAJLENDZLITICQ-LJQANCHMSA-N 1 3 372.557 2.313 20 0 FEADHO C[C@@H]1CCC[C@](CNC(=O)NCCCN2CCCO[C@@H](C)C2)([NH+](C)C)C1 ZINC000433333877 559877261 /nfs/dbraw/zinc/87/72/61/559877261.db2.gz ISSXWWWXUGMYQP-HBFSDRIKSA-N 1 3 368.566 2.297 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000439085664 559988202 /nfs/dbraw/zinc/98/82/02/559988202.db2.gz OIFCQAOBAYVVHK-MRXNPFEDSA-N 1 3 362.518 2.332 20 0 FEADHO CC[NH+](CC)[C@@H](CNC(=O)NCCN1CCN(C)C(C)(C)C1)CC(C)C ZINC000440985588 560020974 /nfs/dbraw/zinc/02/09/74/560020974.db2.gz POEWTTVSBGOCIP-GOSISDBHSA-N 1 3 369.598 2.068 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000441312680 560028467 /nfs/dbraw/zinc/02/84/67/560028467.db2.gz QJUVXVACSHCWAU-IAGOWNOFSA-N 1 3 366.550 2.144 20 0 FEADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000443063548 560068673 /nfs/dbraw/zinc/06/86/73/560068673.db2.gz WUXVZIOQBPXMBG-SJLPKXTDSA-N 1 3 373.497 2.182 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)c1 ZINC000444273293 560107626 /nfs/dbraw/zinc/10/76/26/560107626.db2.gz MSTPKRQAECHTPX-IRLDBZIGSA-N 1 3 370.541 2.013 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000446259954 560142738 /nfs/dbraw/zinc/14/27/38/560142738.db2.gz HVKBPGDGWPFKLI-OHHNFCFSSA-N 1 3 365.562 2.393 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000446259954 560142739 /nfs/dbraw/zinc/14/27/39/560142739.db2.gz HVKBPGDGWPFKLI-OHHNFCFSSA-N 1 3 365.562 2.393 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446271531 560143233 /nfs/dbraw/zinc/14/32/33/560143233.db2.gz LESJHVQEBLNMTH-BBTUJRGHSA-N 1 3 365.562 2.489 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446271531 560143234 /nfs/dbraw/zinc/14/32/34/560143234.db2.gz LESJHVQEBLNMTH-BBTUJRGHSA-N 1 3 365.562 2.489 20 0 FEADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCN1CCCC(C)(C)C1 ZINC000447422250 560161943 /nfs/dbraw/zinc/16/19/43/560161943.db2.gz KLXDECSGLCKCKO-UHFFFAOYSA-N 1 3 374.529 2.233 20 0 FEADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCOCCN(C)C ZINC000447602974 560165104 /nfs/dbraw/zinc/16/51/04/560165104.db2.gz UUIMVCAQBXVJBN-CYBMUJFWSA-N 1 3 372.307 2.334 20 0 FEADHO CN(C)CCOCC[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000447598082 560165191 /nfs/dbraw/zinc/16/51/91/560165191.db2.gz HKQGCVHHJSCXBI-DLBZAZTESA-N 1 3 373.497 2.152 20 0 FEADHO CC[NH+](CC)CCN(CCOC)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448258018 560181998 /nfs/dbraw/zinc/18/19/98/560181998.db2.gz UHHXHDQEAGLKIG-KRWDZBQOSA-N 1 3 356.555 2.107 20 0 FEADHO Cn1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c(-c2ccc(F)cc2)n1 ZINC000449300114 560224284 /nfs/dbraw/zinc/22/42/84/560224284.db2.gz CSCWBMATBZWZDX-UHFFFAOYSA-N 1 3 359.493 2.342 20 0 FEADHO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000449462204 560231081 /nfs/dbraw/zinc/23/10/81/560231081.db2.gz UVNFVGLLJOVFJI-RXVVDRJESA-N 1 3 361.530 2.358 20 0 FEADHO O[C@H](C[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1)CN1CCCC1 ZINC000453090644 560383094 /nfs/dbraw/zinc/38/30/94/560383094.db2.gz KPSXTIAFHKNRMZ-NEWSRXKRSA-N 1 3 352.906 2.476 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455660550 560490902 /nfs/dbraw/zinc/49/09/02/560490902.db2.gz RUVFJMMOSZSADX-SFHVURJKSA-N 1 3 370.501 2.088 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455660550 560490903 /nfs/dbraw/zinc/49/09/03/560490903.db2.gz RUVFJMMOSZSADX-SFHVURJKSA-N 1 3 370.501 2.088 20 0 FEADHO CCC(CC)[C@@H](CNC(=O)NC[C@H]1CCCCN1CCO)[NH+]1CCCC1 ZINC000457615838 560578051 /nfs/dbraw/zinc/57/80/51/560578051.db2.gz NFKJETACPRHZSV-RTBURBONSA-N 1 3 368.566 2.033 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000457657381 560580397 /nfs/dbraw/zinc/58/03/97/560580397.db2.gz VXGNPNBXGFRXLZ-SFHVURJKSA-N 1 3 362.518 2.158 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000457657381 560580399 /nfs/dbraw/zinc/58/03/99/560580399.db2.gz VXGNPNBXGFRXLZ-SFHVURJKSA-N 1 3 362.518 2.158 20 0 FEADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C1C[NH+](C2CCCCC2)C1 ZINC000457697823 560582297 /nfs/dbraw/zinc/58/22/97/560582297.db2.gz MKJWTDNCDMGTNY-OAQYLSRUSA-N 1 3 371.525 2.134 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)C1 ZINC000457702712 560582792 /nfs/dbraw/zinc/58/27/92/560582792.db2.gz DRQIIAHOGHOARL-KZNAEPCWSA-N 1 3 350.551 2.480 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+]2C)N(C)C)cc1 ZINC000458010371 560598991 /nfs/dbraw/zinc/59/89/91/560598991.db2.gz KKEBDQJQCDGNMY-WBVHZDCISA-N 1 3 350.532 2.405 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)N(C)C)cc1 ZINC000458010371 560598990 /nfs/dbraw/zinc/59/89/90/560598990.db2.gz KKEBDQJQCDGNMY-WBVHZDCISA-N 1 3 350.532 2.405 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)N(C)C)cc1 ZINC000458753489 560646105 /nfs/dbraw/zinc/64/61/05/560646105.db2.gz HVAKVHHKTBVZDO-DFQSSKMNSA-N 1 3 374.529 2.422 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)N(C)C)cc1 ZINC000458753489 560646107 /nfs/dbraw/zinc/64/61/07/560646107.db2.gz HVAKVHHKTBVZDO-DFQSSKMNSA-N 1 3 374.529 2.422 20 0 FEADHO CCn1cc([C@H](C)NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000459120861 560667987 /nfs/dbraw/zinc/66/79/87/560667987.db2.gz ZSUSPHSSEDRIBS-WMZOPIPTSA-N 1 3 364.538 2.022 20 0 FEADHO CCn1cc([C@H](C)NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cn1 ZINC000459120861 560667988 /nfs/dbraw/zinc/66/79/88/560667988.db2.gz ZSUSPHSSEDRIBS-WMZOPIPTSA-N 1 3 364.538 2.022 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCOC(C)(C)C1 ZINC000459137556 560669450 /nfs/dbraw/zinc/66/94/50/560669450.db2.gz MYGBQMFJJIIFOQ-QZTJIDSGSA-N 1 3 368.566 2.249 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCOC(C)(C)C1 ZINC000459137556 560669452 /nfs/dbraw/zinc/66/94/52/560669452.db2.gz MYGBQMFJJIIFOQ-QZTJIDSGSA-N 1 3 368.566 2.249 20 0 FEADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CCN(CCOC)CC1 ZINC000460124478 560735613 /nfs/dbraw/zinc/73/56/13/560735613.db2.gz KVRPWNYJPOQRAG-UHFFFAOYSA-N 1 3 368.566 2.395 20 0 FEADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000465909584 560875842 /nfs/dbraw/zinc/87/58/42/560875842.db2.gz SLDJAPBFDXWICH-INIZCTEOSA-N 1 3 354.539 2.002 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[N@@H+](C)CC[C@H]3C)CC2)c1 ZINC000469505278 560956586 /nfs/dbraw/zinc/95/65/86/560956586.db2.gz QTWIRFPAKHARMA-LJQANCHMSA-N 1 3 358.530 2.060 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[N@H+](C)CC[C@H]3C)CC2)c1 ZINC000469505278 560956587 /nfs/dbraw/zinc/95/65/87/560956587.db2.gz QTWIRFPAKHARMA-LJQANCHMSA-N 1 3 358.530 2.060 20 0 FEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000469569204 560958560 /nfs/dbraw/zinc/95/85/60/560958560.db2.gz REKOKSWSABCFMM-GOSISDBHSA-N 1 3 351.535 2.354 20 0 FEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000469569204 560958561 /nfs/dbraw/zinc/95/85/61/560958561.db2.gz REKOKSWSABCFMM-GOSISDBHSA-N 1 3 351.535 2.354 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2ccc3ncccc3c2)C1)[C@@H]1CCC[NH2+]1 ZINC000469860371 560967237 /nfs/dbraw/zinc/96/72/37/560967237.db2.gz FIGPCJZSKCRPBI-PXNSSMCTSA-N 1 3 352.482 2.315 20 0 FEADHO Cc1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c(OC(F)F)cc1C ZINC000470020677 560972326 /nfs/dbraw/zinc/97/23/26/560972326.db2.gz JYXCCWAGGKWLEK-AWEZNQCLSA-N 1 3 355.429 2.192 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)CC[N@@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000471356262 561002757 /nfs/dbraw/zinc/00/27/57/561002757.db2.gz ZGWDZUWBNUZYKX-KDURUIRLSA-N 1 3 373.541 2.440 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)CC[N@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000471356262 561002758 /nfs/dbraw/zinc/00/27/58/561002758.db2.gz ZGWDZUWBNUZYKX-KDURUIRLSA-N 1 3 373.541 2.440 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCOCCN(C)C)CC1 ZINC000471641675 561009322 /nfs/dbraw/zinc/00/93/22/561009322.db2.gz HMIUBNNBNQDJSP-SFHVURJKSA-N 1 3 368.566 2.251 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCOCCN(C)C)CC1 ZINC000471641675 561009323 /nfs/dbraw/zinc/00/93/23/561009323.db2.gz HMIUBNNBNQDJSP-SFHVURJKSA-N 1 3 368.566 2.251 20 0 FEADHO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000472681019 561032900 /nfs/dbraw/zinc/03/29/00/561032900.db2.gz BGLOECKAHJQGSV-KRWDZBQOSA-N 1 3 353.532 2.101 20 0 FEADHO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000472681019 561032901 /nfs/dbraw/zinc/03/29/01/561032901.db2.gz BGLOECKAHJQGSV-KRWDZBQOSA-N 1 3 353.532 2.101 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)c2)CC1 ZINC000473822119 561058340 /nfs/dbraw/zinc/05/83/40/561058340.db2.gz SSUMRKBZMBMCMC-AEFFLSMTSA-N 1 3 359.518 2.433 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000473822119 561058341 /nfs/dbraw/zinc/05/83/41/561058341.db2.gz SSUMRKBZMBMCMC-AEFFLSMTSA-N 1 3 359.518 2.433 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)N(C)CCN(C)C3CC3)CCCC2)CC1 ZINC000473925809 561060855 /nfs/dbraw/zinc/06/08/55/561060855.db2.gz YLLJAKGMTYGSCZ-UHFFFAOYSA-N 1 3 366.550 2.146 20 0 FEADHO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000476270262 561114995 /nfs/dbraw/zinc/11/49/95/561114995.db2.gz WVCPAWGRSWPYQX-UXHICEINSA-N 1 3 374.529 2.061 20 0 FEADHO COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000476270262 561114996 /nfs/dbraw/zinc/11/49/96/561114996.db2.gz WVCPAWGRSWPYQX-UXHICEINSA-N 1 3 374.529 2.061 20 0 FEADHO CO[C@H](Cc1ccc(F)cc1)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000528430696 562328960 /nfs/dbraw/zinc/32/89/60/562328960.db2.gz KOMKFVKMWGDLOH-UIFIKXQLSA-N 1 3 363.521 2.341 20 0 FEADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000528752087 562345725 /nfs/dbraw/zinc/34/57/25/562345725.db2.gz DMPXVWSRKWQTDT-KYFSNAEOSA-N 1 3 359.514 2.300 20 0 FEADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529320113 562369081 /nfs/dbraw/zinc/36/90/81/562369081.db2.gz DFSORZNAZQDYRD-YMAMQOFZSA-N 1 3 374.451 2.376 20 0 FEADHO FC1(F)Oc2cccc(CCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2O1 ZINC000530215560 562402813 /nfs/dbraw/zinc/40/28/13/562402813.db2.gz HMXLXCMRKKABBB-RBSFLKMASA-N 1 3 354.397 2.297 20 0 FEADHO CN1c2ccc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cc2CCC1=O ZINC000530249006 562404138 /nfs/dbraw/zinc/40/41/38/562404138.db2.gz SISPPPVVAHSGMU-LJQANCHMSA-N 1 3 357.498 2.186 20 0 FEADHO C[C@H](N[C@H]1CCSC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000530471832 562412531 /nfs/dbraw/zinc/41/25/31/562412531.db2.gz ZTIZXNGFEIWYMN-HOCLYGCPSA-N 1 3 371.572 2.073 20 0 FEADHO COc1ccc(CCC(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000531118578 562435129 /nfs/dbraw/zinc/43/51/29/562435129.db2.gz DVVWEPIKSDWRKV-UHFFFAOYSA-N 1 3 355.910 2.233 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCN2CCOC(C)(C)C2)CC1 ZINC000532042638 562465010 /nfs/dbraw/zinc/46/50/10/562465010.db2.gz OZUFNTTXVYRZTG-UHFFFAOYSA-N 1 3 374.573 2.419 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)NC(=O)NCc2ccccc2)C[C@H]1C ZINC000532589914 562482499 /nfs/dbraw/zinc/48/24/99/562482499.db2.gz YYBCWFCLQTZIJW-SJLPKXTDSA-N 1 3 360.502 2.207 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)NC(=O)NCc2ccccc2)C[C@H]1C ZINC000532589914 562482500 /nfs/dbraw/zinc/48/25/00/562482500.db2.gz YYBCWFCLQTZIJW-SJLPKXTDSA-N 1 3 360.502 2.207 20 0 FEADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1nc2c(s1)CCCC2 ZINC000536776390 562580513 /nfs/dbraw/zinc/58/05/13/562580513.db2.gz MNHZCOQSDCKRQW-INIZCTEOSA-N 1 3 366.575 2.063 20 0 FEADHO CN(CCC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1ccncc1 ZINC000540927017 562597280 /nfs/dbraw/zinc/59/72/80/562597280.db2.gz VKORMQFAQAMBDU-UHFFFAOYSA-N 1 3 356.470 2.165 20 0 FEADHO CC[NH+](CC)CCSCC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000601769255 567832714 /nfs/dbraw/zinc/83/27/14/567832714.db2.gz BXEBBWIYVWMFKQ-UHFFFAOYSA-N 1 3 353.536 2.163 20 0 FEADHO C[C@@H](NC(=O)Nc1cnn(C2CCN(C)CC2)c1)C(C)(C)C[NH+](C)C ZINC000636909227 568189682 /nfs/dbraw/zinc/18/96/82/568189682.db2.gz TZWAIMDDSOIJHR-CQSZACIVSA-N 1 3 350.511 2.248 20 0 FEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000604116330 568213163 /nfs/dbraw/zinc/21/31/63/568213163.db2.gz RDNZREZPIXEODE-PMACEKPBSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000604116330 568213164 /nfs/dbraw/zinc/21/31/64/568213164.db2.gz RDNZREZPIXEODE-PMACEKPBSA-N 1 3 356.514 2.435 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CCC(=O)Nc3ccc(C)cn3)CC2)CC1 ZINC000643255220 568404485 /nfs/dbraw/zinc/40/44/85/568404485.db2.gz GTABAYUTWHFPNO-UHFFFAOYSA-N 1 3 373.545 2.211 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CCC(=O)Nc3ccc(C)cn3)CC2)CC1 ZINC000643255220 568404486 /nfs/dbraw/zinc/40/44/86/568404486.db2.gz GTABAYUTWHFPNO-UHFFFAOYSA-N 1 3 373.545 2.211 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000557347389 674446249 /nfs/dbraw/zinc/44/62/49/674446249.db2.gz GVZPLIRHKRSBJE-ROUUACIJSA-N 1 3 351.516 2.043 20 0 FEADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000559753737 674554953 /nfs/dbraw/zinc/55/49/53/674554953.db2.gz REOBYBKVTYVGQQ-KXBFYZLASA-N 1 3 365.543 2.421 20 0 FEADHO OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826509387 608511522 /nfs/dbraw/zinc/51/15/22/608511522.db2.gz UKVYSGZPZPWIKU-MJGOQNOKSA-N 1 3 370.501 2.071 20 0 FEADHO OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826509387 608511523 /nfs/dbraw/zinc/51/15/23/608511523.db2.gz UKVYSGZPZPWIKU-MJGOQNOKSA-N 1 3 370.501 2.071 20 0 FEADHO OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826509387 608511525 /nfs/dbraw/zinc/51/15/25/608511525.db2.gz UKVYSGZPZPWIKU-MJGOQNOKSA-N 1 3 370.501 2.071 20 0 FEADHO OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826509387 608511528 /nfs/dbraw/zinc/51/15/28/608511528.db2.gz UKVYSGZPZPWIKU-MJGOQNOKSA-N 1 3 370.501 2.071 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCOCC3CC3)CC2)CC1 ZINC000561092304 674635872 /nfs/dbraw/zinc/63/58/72/674635872.db2.gz UENCBCUBOKMTIA-UHFFFAOYSA-N 1 3 351.535 2.116 20 0 FEADHO C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)CN(C)C ZINC000813878195 674787284 /nfs/dbraw/zinc/78/72/84/674787284.db2.gz LFLQZABACNLSEG-OIISXLGYSA-N 1 3 355.523 2.188 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCC1CC[NH2+]CC1 ZINC000562812558 674812218 /nfs/dbraw/zinc/81/22/18/674812218.db2.gz ISVWAPYWPHITCO-UHFFFAOYSA-N 1 3 354.445 2.038 20 0 FEADHO CCN1CCN(CC(C)(C)NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000569667074 670593303 /nfs/dbraw/zinc/59/33/03/670593303.db2.gz IHJCNHWQZJNJRR-UHFFFAOYSA-N 1 3 352.567 2.173 20 0 FEADHO CCN1CCN(CC(C)(C)NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000569667074 670593310 /nfs/dbraw/zinc/59/33/10/670593310.db2.gz IHJCNHWQZJNJRR-UHFFFAOYSA-N 1 3 352.567 2.173 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000565607564 675136340 /nfs/dbraw/zinc/13/63/40/675136340.db2.gz JWSDTQLTZPQNFV-LMMKCTJWSA-N 1 3 351.535 2.114 20 0 FEADHO CS(=O)(=O)c1ccc(OCCCN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000572001509 670949876 /nfs/dbraw/zinc/94/98/76/670949876.db2.gz XILBAFMYSIQIRA-SJORKVTESA-N 1 3 366.527 2.181 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CCO)C(C)(C)C)CC2)CC1 ZINC000572058872 670957029 /nfs/dbraw/zinc/95/70/29/670957029.db2.gz XLYCFVJGEVFIBN-SFHVURJKSA-N 1 3 353.551 2.096 20 0 FEADHO Cc1ccc(NC(=O)[C@@H](C)N(C)CCCN(C)CC[NH+](C)C)c(F)c1 ZINC000565854531 675156203 /nfs/dbraw/zinc/15/62/03/675156203.db2.gz CRPYQWGKEUSUBD-MRXNPFEDSA-N 1 3 352.498 2.276 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCc3nccs3)CC2)CC1 ZINC000574411185 671237505 /nfs/dbraw/zinc/23/75/05/671237505.db2.gz BLDIZSWJKNLGOV-UHFFFAOYSA-N 1 3 364.559 2.388 20 0 FEADHO O[C@H](CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Cc1cccc(Cl)c1 ZINC000574684194 671267947 /nfs/dbraw/zinc/26/79/47/671267947.db2.gz HQCHTKRKJSYDOD-IPMKNSEASA-N 1 3 352.906 2.211 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)C1 ZINC000574739303 671273322 /nfs/dbraw/zinc/27/33/22/671273322.db2.gz GREINAGTCVWAAU-JKSUJKDBSA-N 1 3 365.905 2.381 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)C1 ZINC000574739303 671273324 /nfs/dbraw/zinc/27/33/24/671273324.db2.gz GREINAGTCVWAAU-JKSUJKDBSA-N 1 3 365.905 2.381 20 0 FEADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H](O)C(C)C ZINC000574927045 671286899 /nfs/dbraw/zinc/28/68/99/671286899.db2.gz VTDNJZUDCLGODO-RTBURBONSA-N 1 3 353.551 2.094 20 0 FEADHO NS(=O)(=O)c1ccc2c(c1)[C@@H](NCc1ccc(CC[NH3+])cc1)CCC2 ZINC000817949731 675187846 /nfs/dbraw/zinc/18/78/46/675187846.db2.gz UINAPNVFWTWXDQ-IBGZPJMESA-N 1 3 359.495 2.002 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)CCOC)CC2)CC1 ZINC000576171138 671348866 /nfs/dbraw/zinc/34/88/66/671348866.db2.gz FAMKDTDBUAPAJE-UHFFFAOYSA-N 1 3 353.551 2.362 20 0 FEADHO C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000579107616 671712698 /nfs/dbraw/zinc/71/26/98/671712698.db2.gz QEYKJPVDIFSVEU-ZDUSSCGKSA-N 1 3 357.420 2.451 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122906497 671972480 /nfs/dbraw/zinc/97/24/80/671972480.db2.gz NWYUJEPDFLVNRG-SJORKVTESA-N 1 3 354.539 2.049 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000583921399 672139300 /nfs/dbraw/zinc/13/93/00/672139300.db2.gz UYZDWHDYQKLGRY-WRSAYESZSA-N 1 3 364.515 2.081 20 0 FEADHO CCC(C)(C)N1CCN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC1 ZINC000594245471 673048551 /nfs/dbraw/zinc/04/85/51/673048551.db2.gz WCTZUHSBBLYMCF-UHFFFAOYSA-N 1 3 356.580 2.330 20 0 FEADHO Cc1nc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cs1 ZINC000733142945 673400244 /nfs/dbraw/zinc/40/02/44/673400244.db2.gz ZDJSVZRBEHUYEP-UHFFFAOYSA-N 1 3 350.532 2.059 20 0 FEADHO COCC(=O)N1CCC([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000542842024 673609814 /nfs/dbraw/zinc/60/98/14/673609814.db2.gz XPSORFXMMKRCFN-LPHOPBHVSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000566551441 675223573 /nfs/dbraw/zinc/22/35/73/675223573.db2.gz BSRSARHVJZSCAO-GALLPEHLSA-N 1 3 362.440 2.089 20 0 FEADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1Cl ZINC000819174102 675266283 /nfs/dbraw/zinc/26/62/83/675266283.db2.gz OJOGVAZJDQGNQF-FGTMMUONSA-N 1 3 356.869 2.480 20 0 FEADHO Cc1cc([C@H]2CCCN2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)no1 ZINC000820068183 675334179 /nfs/dbraw/zinc/33/41/79/675334179.db2.gz IOPYGQDICQRTSS-WMLDXEAASA-N 1 3 351.495 2.102 20 0 FEADHO Cc1cc([C@H]2CCCN2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)no1 ZINC000820068183 675334181 /nfs/dbraw/zinc/33/41/81/675334181.db2.gz IOPYGQDICQRTSS-WMLDXEAASA-N 1 3 351.495 2.102 20 0 FEADHO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504650 676288876 /nfs/dbraw/zinc/28/88/76/676288876.db2.gz DDVKWWOCBDQPCP-UONOGXRCSA-N 1 3 357.445 2.120 20 0 FEADHO C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504650 676288878 /nfs/dbraw/zinc/28/88/78/676288878.db2.gz DDVKWWOCBDQPCP-UONOGXRCSA-N 1 3 357.445 2.120 20 0 FEADHO C[C@@H](NCCOCCC[NH3+])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000629535350 676858565 /nfs/dbraw/zinc/85/85/65/676858565.db2.gz DGXUOOCBNRUWFW-OAHLLOKOSA-N 1 3 354.516 2.419 20 0 FEADHO O[C@@H](C[NH2+]CCc1cnc(SC2CCCC2)nc1)CN1CCCC1 ZINC000629580528 676860763 /nfs/dbraw/zinc/86/07/63/676860763.db2.gz UHONLZNTQDTLEC-INIZCTEOSA-N 1 3 350.532 2.100 20 0 FEADHO Clc1cc(CN2C[C@@H]3COC[C@@H]3C2)cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000634779229 677081702 /nfs/dbraw/zinc/08/17/02/677081702.db2.gz IOXBTKLFNONDEH-QGFMHUBQSA-N 1 3 362.901 2.496 20 0 FEADHO Clc1cc(CN2C[C@@H]3COC[C@@H]3C2)cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000634779229 677081703 /nfs/dbraw/zinc/08/17/03/677081703.db2.gz IOXBTKLFNONDEH-QGFMHUBQSA-N 1 3 362.901 2.496 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000638728236 677149411 /nfs/dbraw/zinc/14/94/11/677149411.db2.gz LIEYVHFARUPYPP-ROUUACIJSA-N 1 3 351.535 2.116 20 0 FEADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NC/C=C/C[NH3+] ZINC000641865108 677216849 /nfs/dbraw/zinc/21/68/49/677216849.db2.gz PEIFTQGMOUFMFG-ONEGZZNKSA-N 1 3 369.307 2.037 20 0 FEADHO C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CCN1Cc1ccccc1 ZINC000649344694 677329819 /nfs/dbraw/zinc/32/98/19/677329819.db2.gz MOYYHWGPBOZBOW-RDJZCZTQSA-N 1 3 351.441 2.354 20 0 FEADHO CN(CC1CCCCC1)C(=O)CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347520 677480743 /nfs/dbraw/zinc/48/07/43/677480743.db2.gz CVYASMMEJNZQTB-OTWHNJEPSA-N 1 3 351.535 2.243 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCOC(C)(C)C3)CC2)CC1 ZINC000654805083 677605337 /nfs/dbraw/zinc/60/53/37/677605337.db2.gz CRDCSZNLOAMJMN-UHFFFAOYSA-N 1 3 351.535 2.210 20 0 FEADHO CC[C@@H](C)C[C@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000655160327 677626309 /nfs/dbraw/zinc/62/63/09/677626309.db2.gz OVKLWKWMWLERHO-SJLPKXTDSA-N 1 3 353.551 2.096 20 0 FEADHO c1nc(N2CCOCC2)sc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786744 677830091 /nfs/dbraw/zinc/83/00/91/677830091.db2.gz XCSCSJQCSUCJHB-MRXNPFEDSA-N 1 3 350.532 2.191 20 0 FEADHO FC1(F)C[C@H]1OCCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326860 678605561 /nfs/dbraw/zinc/60/55/61/678605561.db2.gz FBGOMEGXSXPBSZ-QGZVFWFLSA-N 1 3 354.445 2.480 20 0 FEADHO FC1(F)C[C@H]1OCCN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326860 678605564 /nfs/dbraw/zinc/60/55/64/678605564.db2.gz FBGOMEGXSXPBSZ-QGZVFWFLSA-N 1 3 354.445 2.480 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1cccc(Cl)c1 ZINC000663462043 678744286 /nfs/dbraw/zinc/74/42/86/678744286.db2.gz SXLQFMDLJWYCGI-HNNXBMFYSA-N 1 3 354.926 2.454 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1cccc(Cl)c1 ZINC000663462043 678744290 /nfs/dbraw/zinc/74/42/90/678744290.db2.gz SXLQFMDLJWYCGI-HNNXBMFYSA-N 1 3 354.926 2.454 20 0 FEADHO CCc1ncc(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000663510919 678749314 /nfs/dbraw/zinc/74/93/14/678749314.db2.gz IEYPALQSTDZHNG-CQSZACIVSA-N 1 3 360.531 2.218 20 0 FEADHO C[C@H](Cc1ccccc1F)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663780744 678788434 /nfs/dbraw/zinc/78/84/34/678788434.db2.gz WPDGTKZQFQDGMF-CVEARBPZSA-N 1 3 352.498 2.328 20 0 FEADHO C[C@H](Cc1ccccc1F)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663780744 678788438 /nfs/dbraw/zinc/78/84/38/678788438.db2.gz WPDGTKZQFQDGMF-CVEARBPZSA-N 1 3 352.498 2.328 20 0 FEADHO C[C@@H](Cc1ccccc1F)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663780745 678788455 /nfs/dbraw/zinc/78/84/55/678788455.db2.gz WPDGTKZQFQDGMF-HOTGVXAUSA-N 1 3 352.498 2.328 20 0 FEADHO C[C@@H](Cc1ccccc1F)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663780745 678788459 /nfs/dbraw/zinc/78/84/59/678788459.db2.gz WPDGTKZQFQDGMF-HOTGVXAUSA-N 1 3 352.498 2.328 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1cccc(F)c1F ZINC000664098907 678831567 /nfs/dbraw/zinc/83/15/67/678831567.db2.gz RMPBPWOSKPYUJT-AWEZNQCLSA-N 1 3 356.461 2.079 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1cccc(F)c1F ZINC000664098907 678831569 /nfs/dbraw/zinc/83/15/69/678831569.db2.gz RMPBPWOSKPYUJT-AWEZNQCLSA-N 1 3 356.461 2.079 20 0 FEADHO CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664708296 678917513 /nfs/dbraw/zinc/91/75/13/678917513.db2.gz JKKTVQKPVKKXAK-KSZLIROESA-N 1 3 356.555 2.151 20 0 FEADHO CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664708296 678917515 /nfs/dbraw/zinc/91/75/15/678917515.db2.gz JKKTVQKPVKKXAK-KSZLIROESA-N 1 3 356.555 2.151 20 0 FEADHO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664708295 678917625 /nfs/dbraw/zinc/91/76/25/678917625.db2.gz JKKTVQKPVKKXAK-BZSNNMDCSA-N 1 3 356.555 2.151 20 0 FEADHO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664708295 678917628 /nfs/dbraw/zinc/91/76/28/678917628.db2.gz JKKTVQKPVKKXAK-BZSNNMDCSA-N 1 3 356.555 2.151 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC000665114261 678941335 /nfs/dbraw/zinc/94/13/35/678941335.db2.gz QXGXCPDIKYNKIT-QILLFSRXSA-N 1 3 350.482 2.253 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC000665114261 678941336 /nfs/dbraw/zinc/94/13/36/678941336.db2.gz QXGXCPDIKYNKIT-QILLFSRXSA-N 1 3 350.482 2.253 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(OC(C)(C)C)CC1 ZINC000665759619 678981920 /nfs/dbraw/zinc/98/19/20/678981920.db2.gz LJUSLKBJNSFQNY-INIZCTEOSA-N 1 3 356.555 2.248 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(OC(C)(C)C)CC1 ZINC000665759619 678981921 /nfs/dbraw/zinc/98/19/21/678981921.db2.gz LJUSLKBJNSFQNY-INIZCTEOSA-N 1 3 356.555 2.248 20 0 FEADHO C[C@H](C1CC1)n1nccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666784051 679044939 /nfs/dbraw/zinc/04/49/39/679044939.db2.gz ZMDYHJKWKGNSGF-LSDHHAIUSA-N 1 3 350.511 2.248 20 0 FEADHO C[C@H](C1CC1)n1nccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666784051 679044940 /nfs/dbraw/zinc/04/49/40/679044940.db2.gz ZMDYHJKWKGNSGF-LSDHHAIUSA-N 1 3 350.511 2.248 20 0 FEADHO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000667800893 679127199 /nfs/dbraw/zinc/12/71/99/679127199.db2.gz RVLVHUXIDCDTFX-UHFFFAOYSA-N 1 3 359.499 2.385 20 0 FEADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000668661181 679192190 /nfs/dbraw/zinc/19/21/90/679192190.db2.gz UYZJUCDFXJVFEF-GXTWGEPZSA-N 1 3 358.458 2.181 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc(Cl)n1 ZINC000831382571 679975063 /nfs/dbraw/zinc/97/50/63/679975063.db2.gz OTEULFGLCOUNHK-NUEKZKHPSA-N 1 3 350.894 2.376 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc(Cl)n1 ZINC000831382571 679975065 /nfs/dbraw/zinc/97/50/65/679975065.db2.gz OTEULFGLCOUNHK-NUEKZKHPSA-N 1 3 350.894 2.376 20 0 FEADHO Cc1ncsc1CN1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990766413 680073268 /nfs/dbraw/zinc/07/32/68/680073268.db2.gz VDISEHJIMZOJOJ-LFEHRJTNSA-N 1 3 362.543 2.405 20 0 FEADHO Cc1ncsc1CN1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990766413 680073275 /nfs/dbraw/zinc/07/32/75/680073275.db2.gz VDISEHJIMZOJOJ-LFEHRJTNSA-N 1 3 362.543 2.405 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3sc(C)nc3C)C2)CC[N@@H+]1C ZINC001018871171 680085264 /nfs/dbraw/zinc/08/52/64/680085264.db2.gz XUVWTXNBARNWJP-HRCADAONSA-N 1 3 350.532 2.181 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3sc(C)nc3C)C2)CC[N@H+]1C ZINC001018871171 680085268 /nfs/dbraw/zinc/08/52/68/680085268.db2.gz XUVWTXNBARNWJP-HRCADAONSA-N 1 3 350.532 2.181 20 0 FEADHO CC[C@@H](NC[C@@H](O)C[NH+]1CCCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834531438 680239136 /nfs/dbraw/zinc/23/91/36/680239136.db2.gz ZFYFKDUDNZRECP-BRWVUGGUSA-N 1 3 355.523 2.211 20 0 FEADHO Cc1nc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sc1C ZINC001023993557 680277445 /nfs/dbraw/zinc/27/74/45/680277445.db2.gz ISQBCZAAJGSJDX-HYVNUMGLSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1nc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sc1C ZINC001023993557 680277446 /nfs/dbraw/zinc/27/74/46/680277446.db2.gz ISQBCZAAJGSJDX-HYVNUMGLSA-N 1 3 364.559 2.428 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)Cc3ccnc(Cl)c3)CC2)CC[N@@H+]1C ZINC000985441811 680449226 /nfs/dbraw/zinc/44/92/26/680449226.db2.gz LMSJKDZGUUZOHM-RHSMWYFYSA-N 1 3 364.921 2.498 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)Cc3ccnc(Cl)c3)CC2)CC[N@H+]1C ZINC000985441811 680449228 /nfs/dbraw/zinc/44/92/28/680449228.db2.gz LMSJKDZGUUZOHM-RHSMWYFYSA-N 1 3 364.921 2.498 20 0 FEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(F)(F)c1nccs1 ZINC000756446222 680479309 /nfs/dbraw/zinc/47/93/09/680479309.db2.gz IZMVOTUIGJYRJX-ZDUSSCGKSA-N 1 3 360.474 2.109 20 0 FEADHO CN1CCC(NC(=S)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000774274988 681176575 /nfs/dbraw/zinc/17/65/75/681176575.db2.gz XOURGFVPFPIDFW-IBGZPJMESA-N 1 3 360.571 2.455 20 0 FEADHO CN1CCC(NC(=S)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000774274988 681176576 /nfs/dbraw/zinc/17/65/76/681176576.db2.gz XOURGFVPFPIDFW-IBGZPJMESA-N 1 3 360.571 2.455 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1ccccc1Br ZINC000849117078 681658466 /nfs/dbraw/zinc/65/84/66/681658466.db2.gz SMCXIHTZJQJKNF-SWLSCSKDSA-N 1 3 369.307 2.081 20 0 FEADHO CN1CCC[C@]2(CC[N@H+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 ZINC000852092166 682218116 /nfs/dbraw/zinc/21/81/16/682218116.db2.gz QCFIFDXCXJIMDH-LPHOPBHVSA-N 1 3 353.507 2.040 20 0 FEADHO CN1CCC[C@]2(CC[N@@H+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 ZINC000852092166 682218117 /nfs/dbraw/zinc/21/81/17/682218117.db2.gz QCFIFDXCXJIMDH-LPHOPBHVSA-N 1 3 353.507 2.040 20 0 FEADHO CC(C)N(C)C[C@H](O)C[NH+]1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000852216425 682241188 /nfs/dbraw/zinc/24/11/88/682241188.db2.gz DCCGPGMUUMACTL-INIZCTEOSA-N 1 3 355.523 2.020 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(C2)CN(CCC(C)C)CCO3)CC[N@@H+]1C ZINC000972393666 682413204 /nfs/dbraw/zinc/41/32/04/682413204.db2.gz ZPLQXBGMOXBAPM-NSHGMRRFSA-N 1 3 351.535 2.066 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(C2)CN(CCC(C)C)CCO3)CC[N@H+]1C ZINC000972393666 682413208 /nfs/dbraw/zinc/41/32/08/682413208.db2.gz ZPLQXBGMOXBAPM-NSHGMRRFSA-N 1 3 351.535 2.066 20 0 FEADHO CC[C@@H](C)CC[C@H](O)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000793299950 682879153 /nfs/dbraw/zinc/87/91/53/682879153.db2.gz SLBFPYOAKMWGBY-APWZRJJASA-N 1 3 353.551 2.239 20 0 FEADHO C[C@@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(C[NH+](C)C)c1 ZINC000926414664 683122502 /nfs/dbraw/zinc/12/25/02/683122502.db2.gz JFMFDFYTXZSWCI-QAPCUYQASA-N 1 3 353.532 2.213 20 0 FEADHO CC(C)(C)OC(=O)N1CC[C@H](NC2CC[NH+](C(C)(C)C)CC2)[C@@H](O)C1 ZINC000866492436 684111261 /nfs/dbraw/zinc/11/12/61/684111261.db2.gz GRZLSSHWOVBLIH-HOTGVXAUSA-N 1 3 355.523 2.209 20 0 FEADHO C[C@@H]1CN(CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923500416 684293356 /nfs/dbraw/zinc/29/33/56/684293356.db2.gz QCMRENWGIPQYJV-OCCSQVGLSA-N 1 3 359.392 2.118 20 0 FEADHO C[C@H]1CN(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923502349 684294153 /nfs/dbraw/zinc/29/41/53/684294153.db2.gz BHWCUKBGZNNRQS-ZFWWWQNUSA-N 1 3 355.429 2.163 20 0 FEADHO C[N@H+](CCCN1C(=O)N[C@@H](CN2CCCCC2)C1=O)C1CCCCC1 ZINC000924475506 684453661 /nfs/dbraw/zinc/45/36/61/684453661.db2.gz CUCQQMJZZNVVOX-KRWDZBQOSA-N 1 3 350.507 2.047 20 0 FEADHO C[N@@H+](CCCN1C(=O)N[C@@H](CN2CCCCC2)C1=O)C1CCCCC1 ZINC000924475506 684453664 /nfs/dbraw/zinc/45/36/64/684453664.db2.gz CUCQQMJZZNVVOX-KRWDZBQOSA-N 1 3 350.507 2.047 20 0 FEADHO C[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000925595029 684571980 /nfs/dbraw/zinc/57/19/80/684571980.db2.gz QBZFFONYRMYPAN-BPUTZDHNSA-N 1 3 353.532 2.494 20 0 FEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc(N3CCCS3(=O)=O)c(F)c2)C1 ZINC000925646929 684575802 /nfs/dbraw/zinc/57/58/02/684575802.db2.gz WRPMDPAHFYTEIV-LSDHHAIUSA-N 1 3 369.506 2.361 20 0 FEADHO C[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000925787235 684585360 /nfs/dbraw/zinc/58/53/60/684585360.db2.gz ZHPYDVPRDPRTGF-RYQLBKOJSA-N 1 3 353.457 2.110 20 0 FEADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000925787235 684585364 /nfs/dbraw/zinc/58/53/64/684585364.db2.gz ZHPYDVPRDPRTGF-RYQLBKOJSA-N 1 3 353.457 2.110 20 0 FEADHO Cc1sc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1Br ZINC000873044521 685057597 /nfs/dbraw/zinc/05/75/97/685057597.db2.gz PVSGEPNWENVHCG-GFCCVEGCSA-N 1 3 374.348 2.496 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876743544 686258532 /nfs/dbraw/zinc/25/85/32/686258532.db2.gz HMLBUAKGIQVBOX-RDJZCZTQSA-N 1 3 351.491 2.164 20 0 FEADHO Cc1cc([C@H](N)CC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)cc(Cl)n1 ZINC000877344142 686358968 /nfs/dbraw/zinc/35/89/68/686358968.db2.gz VATONPGOXVCKBE-IAGOWNOFSA-N 1 3 358.873 2.264 20 0 FEADHO O=C1N[C@@H]2CN(CC[C@@H]3CCCC3(F)F)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000883433072 687629137 /nfs/dbraw/zinc/62/91/37/687629137.db2.gz HTDASGJBUUMOIW-IMJJTQAJSA-N 1 3 356.461 2.032 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N(CC(F)F)C3CCC3)CC2)CC1 ZINC000884124456 687794640 /nfs/dbraw/zinc/79/46/40/687794640.db2.gz YSRWAJPTLWULST-UHFFFAOYSA-N 1 3 358.477 2.374 20 0 FEADHO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)[C@H](c1ccccc1)N(C)C ZINC000891894173 689123706 /nfs/dbraw/zinc/12/37/06/689123706.db2.gz DJBYSXZALRQEAH-CWRNSKLLSA-N 1 3 354.445 2.222 20 0 FEADHO C[C@H](CC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2)N(C)C ZINC000895428130 689714519 /nfs/dbraw/zinc/71/45/19/689714519.db2.gz GDAXZISGBNBKKP-OWCLPIDISA-N 1 3 355.523 2.379 20 0 FEADHO CN1CCN([C@H](CN[C@H]2CC[NH2+]CC(C)(C)C2)c2cccs2)CC1 ZINC000902317634 690757335 /nfs/dbraw/zinc/75/73/35/690757335.db2.gz DYYUQWPYYCGKSS-DLBZAZTESA-N 1 3 350.576 2.404 20 0 FEADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000902486606 690770100 /nfs/dbraw/zinc/77/01/00/690770100.db2.gz QWTJHVXEGZRTBX-IWSPIJDZSA-N 1 3 352.287 2.029 20 0 FEADHO COC(=O)c1cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c(C)s1 ZINC000903506929 690904039 /nfs/dbraw/zinc/90/40/39/690904039.db2.gz GAGDGDQFNAJRRQ-CALCHBBNSA-N 1 3 363.527 2.244 20 0 FEADHO O=S(=O)(CC1CC[NH2+]CC1)NCc1ccccc1CN1CCCCC1 ZINC000905331169 691102092 /nfs/dbraw/zinc/10/20/92/691102092.db2.gz KBZZIUOUYUCWOT-UHFFFAOYSA-N 1 3 365.543 2.092 20 0 FEADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNC[C@@H]1CCCN1CC(F)(F)F ZINC000905567406 691142590 /nfs/dbraw/zinc/14/25/90/691142590.db2.gz ZNVCIHXFOUBKCH-DLBZAZTESA-N 1 3 359.436 2.096 20 0 FEADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNC[C@@H]1CCCN1CC(F)(F)F ZINC000905567406 691142591 /nfs/dbraw/zinc/14/25/91/691142591.db2.gz ZNVCIHXFOUBKCH-DLBZAZTESA-N 1 3 359.436 2.096 20 0 FEADHO CN(CC(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1)C1CCC1 ZINC000907992648 691594577 /nfs/dbraw/zinc/59/45/77/691594577.db2.gz LWMCPDWWWDNPLC-GOSISDBHSA-N 1 3 353.551 2.191 20 0 FEADHO O=C(OCCC[NH+]1CCCC1)C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000800147024 674025996 /nfs/dbraw/zinc/02/59/96/674025996.db2.gz LZXDQJRFFCLDSX-AWEZNQCLSA-N 1 3 352.381 2.347 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)CCOc3ccc(F)cc3)CC2)CC1 ZINC000050798911 540414766 /nfs/dbraw/zinc/41/47/66/540414766.db2.gz GBAUCZRJGHWWGR-UHFFFAOYSA-N 1 3 363.477 2.269 20 0 FEADHO COc1ccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1F ZINC000050801249 540414818 /nfs/dbraw/zinc/41/48/18/540414818.db2.gz NJEPTSKYEPOGIS-UHFFFAOYSA-N 1 3 363.477 2.052 20 0 FEADHO CCc1ccc(OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050803006 540415243 /nfs/dbraw/zinc/41/52/43/540415243.db2.gz ARLMUBSQULRDQQ-UHFFFAOYSA-N 1 3 359.514 2.303 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000057204936 540778254 /nfs/dbraw/zinc/77/82/54/540778254.db2.gz FRLILGPBNLCLIT-IBGZPJMESA-N 1 3 367.497 2.086 20 0 FEADHO CC[NH+]1CCC(NC(=O)N(C)C2CCN(CCc3ccccn3)CC2)CC1 ZINC000066174749 541286191 /nfs/dbraw/zinc/28/61/91/541286191.db2.gz CGPXVJDWDOSZNT-UHFFFAOYSA-N 1 3 373.545 2.214 20 0 FEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066195946 541289363 /nfs/dbraw/zinc/28/93/63/541289363.db2.gz SSUBTUMWCKBZRC-OKZBNKHCSA-N 1 3 368.566 2.248 20 0 FEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066195946 541289365 /nfs/dbraw/zinc/28/93/65/541289365.db2.gz SSUBTUMWCKBZRC-OKZBNKHCSA-N 1 3 368.566 2.248 20 0 FEADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000066194162 541289397 /nfs/dbraw/zinc/28/93/97/541289397.db2.gz VWURGZVSAIRPFU-KRWDZBQOSA-N 1 3 361.534 2.118 20 0 FEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000066194162 541289400 /nfs/dbraw/zinc/28/94/00/541289400.db2.gz VWURGZVSAIRPFU-KRWDZBQOSA-N 1 3 361.534 2.118 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)O1 ZINC000067452520 541465982 /nfs/dbraw/zinc/46/59/82/541465982.db2.gz RWGAWLKSOXEXNG-HZPDHXFCSA-N 1 3 354.516 2.069 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000073428423 541952813 /nfs/dbraw/zinc/95/28/13/541952813.db2.gz NTIZJIPCCBLVFA-INIZCTEOSA-N 1 3 354.539 2.048 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1cccc(F)c1 ZINC000073539597 541962931 /nfs/dbraw/zinc/96/29/31/541962931.db2.gz ALCFUVCEOGOHNV-LJQANCHMSA-N 1 3 364.509 2.426 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1cccc(F)c1 ZINC000073539597 541962935 /nfs/dbraw/zinc/96/29/35/541962935.db2.gz ALCFUVCEOGOHNV-LJQANCHMSA-N 1 3 364.509 2.426 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(Cl)nc1 ZINC000073775790 541998353 /nfs/dbraw/zinc/99/83/53/541998353.db2.gz KRBQSLCIBUBMKJ-MRXNPFEDSA-N 1 3 367.925 2.293 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(Cl)nc1 ZINC000073775790 541998356 /nfs/dbraw/zinc/99/83/56/541998356.db2.gz KRBQSLCIBUBMKJ-MRXNPFEDSA-N 1 3 367.925 2.293 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000074181160 542049261 /nfs/dbraw/zinc/04/92/61/542049261.db2.gz XBLQTGIJEAPKPJ-FQEVSTJZSA-N 1 3 372.557 2.307 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000074181160 542049264 /nfs/dbraw/zinc/04/92/64/542049264.db2.gz XBLQTGIJEAPKPJ-FQEVSTJZSA-N 1 3 372.557 2.307 20 0 FEADHO CN(CCNC(=O)c1cnn(CC[NH+]2CCCCC2)c1)Cc1ccccc1 ZINC000074227791 542056825 /nfs/dbraw/zinc/05/68/25/542056825.db2.gz BUAHCYCKAMNWLF-UHFFFAOYSA-N 1 3 369.513 2.231 20 0 FEADHO C[C@@H]1CCCN1C(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000075684817 542197470 /nfs/dbraw/zinc/19/74/70/542197470.db2.gz FMCWAZZUOIPBKU-KURKYZTESA-N 1 3 351.535 2.209 20 0 FEADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc([Si](C)(C)C)cc2)CC1 ZINC000801931999 674155709 /nfs/dbraw/zinc/15/57/09/674155709.db2.gz SQBYELVVGJODNX-UHFFFAOYSA-N 1 3 361.606 2.122 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079732897 542538947 /nfs/dbraw/zinc/53/89/47/542538947.db2.gz OBPQBNMPMOFYBY-VQTJNVASSA-N 1 3 358.530 2.429 20 0 FEADHO CC(C)OCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000081156088 542636495 /nfs/dbraw/zinc/63/64/95/542636495.db2.gz MNNPKDUBSDEJEH-UHFFFAOYSA-N 1 3 361.530 2.372 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](N(C)Cc3ccccc3)C2)CC1 ZINC000081532235 542663607 /nfs/dbraw/zinc/66/36/07/542663607.db2.gz NSNRNQQOXHEFNA-OAQYLSRUSA-N 1 3 372.557 2.182 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)CC1 ZINC000092660523 542878977 /nfs/dbraw/zinc/87/89/77/542878977.db2.gz XZQRZCALZNIAAV-SFHVURJKSA-N 1 3 358.530 2.306 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CCC(N)=O)C2)CC1 ZINC000092660523 542878981 /nfs/dbraw/zinc/87/89/81/542878981.db2.gz XZQRZCALZNIAAV-SFHVURJKSA-N 1 3 358.530 2.306 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000103077373 543091215 /nfs/dbraw/zinc/09/12/15/543091215.db2.gz LXQASFXTUVMSLT-UHFFFAOYSA-N 1 3 355.404 2.392 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccc(F)c1)[N@H+](C)C1CC1 ZINC000105264676 543167787 /nfs/dbraw/zinc/16/77/87/543167787.db2.gz FPHRMAWFVDWHEC-HNNXBMFYSA-N 1 3 350.482 2.382 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1cccc(F)c1)[N@@H+](C)C1CC1 ZINC000105264676 543167789 /nfs/dbraw/zinc/16/77/89/543167789.db2.gz FPHRMAWFVDWHEC-HNNXBMFYSA-N 1 3 350.482 2.382 20 0 FEADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)Cc1ccccc1 ZINC000106518465 543232262 /nfs/dbraw/zinc/23/22/62/543232262.db2.gz JEQOFEZKGFUYSR-QUCCMNQESA-N 1 3 358.530 2.475 20 0 FEADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)Cc1ccccc1 ZINC000106518465 543232266 /nfs/dbraw/zinc/23/22/66/543232266.db2.gz JEQOFEZKGFUYSR-QUCCMNQESA-N 1 3 358.530 2.475 20 0 FEADHO O=C(CCCN1CCN(c2ccccc2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000111597139 543408288 /nfs/dbraw/zinc/40/82/88/543408288.db2.gz CZWLNRCFUVNJGA-NRFANRHFSA-N 1 3 370.541 2.286 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000111818235 543417615 /nfs/dbraw/zinc/41/76/15/543417615.db2.gz NFXFGGFRQUUHAE-SFHVURJKSA-N 1 3 354.539 2.051 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000111818235 543417616 /nfs/dbraw/zinc/41/76/16/543417616.db2.gz NFXFGGFRQUUHAE-SFHVURJKSA-N 1 3 354.539 2.051 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1)C1CC1 ZINC000114379309 543512260 /nfs/dbraw/zinc/51/22/60/543512260.db2.gz CWTKIOVLJIFCIT-SFHVURJKSA-N 1 3 372.557 2.284 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1)C1CC1 ZINC000114379309 543512263 /nfs/dbraw/zinc/51/22/63/543512263.db2.gz CWTKIOVLJIFCIT-SFHVURJKSA-N 1 3 372.557 2.284 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCN(CC3CCCCC3)CC2)CC1 ZINC000114455730 543517137 /nfs/dbraw/zinc/51/71/37/543517137.db2.gz SQIDANAMJNJIRQ-UHFFFAOYSA-N 1 3 364.578 2.173 20 0 FEADHO C[C@@H](N[C@H](C)C1(S(C)(=O)=O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000552097507 674187367 /nfs/dbraw/zinc/18/73/67/674187367.db2.gz DOJSRSSFUFQHOJ-HUUCEWRRSA-N 1 3 354.516 2.243 20 0 FEADHO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000552100265 674187737 /nfs/dbraw/zinc/18/77/37/674187737.db2.gz DKQOWSUXXOWIBM-IIAWOOMASA-N 1 3 373.950 2.245 20 0 FEADHO CC1CCC(N2CCN(C(=O)NCC3([NH+](C)C)CCOCC3)CC2)CC1 ZINC000115829346 543589207 /nfs/dbraw/zinc/58/92/07/543589207.db2.gz GHCQRWGVMNISOL-UHFFFAOYSA-N 1 3 366.550 2.003 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000125564357 543889135 /nfs/dbraw/zinc/88/91/35/543889135.db2.gz RAPNJSXRPBZIGF-SFHVURJKSA-N 1 3 372.513 2.059 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000125564357 543889138 /nfs/dbraw/zinc/88/91/38/543889138.db2.gz RAPNJSXRPBZIGF-SFHVURJKSA-N 1 3 372.513 2.059 20 0 FEADHO Cc1ccc(C)c(OC[C@H](O)CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000126477143 543938616 /nfs/dbraw/zinc/93/86/16/543938616.db2.gz GEJFAWDFMAIVAK-HXUWFJFHSA-N 1 3 363.546 2.001 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000126561421 543943621 /nfs/dbraw/zinc/94/36/21/543943621.db2.gz XQXYTNURVLZZBI-KRWDZBQOSA-N 1 3 362.493 2.383 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000126561421 543943623 /nfs/dbraw/zinc/94/36/23/543943623.db2.gz XQXYTNURVLZZBI-KRWDZBQOSA-N 1 3 362.493 2.383 20 0 FEADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126734150 543953904 /nfs/dbraw/zinc/95/39/04/543953904.db2.gz GTDCTMXTQNHSSO-GOSISDBHSA-N 1 3 360.546 2.171 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000128459906 544054007 /nfs/dbraw/zinc/05/40/07/544054007.db2.gz PLEPGIZTJUAERF-IBGZPJMESA-N 1 3 368.529 2.332 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](Cn3cncn3)C2)CC1 ZINC000128459906 544054010 /nfs/dbraw/zinc/05/40/10/544054010.db2.gz PLEPGIZTJUAERF-IBGZPJMESA-N 1 3 368.529 2.332 20 0 FEADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128572649 544060220 /nfs/dbraw/zinc/06/02/20/544060220.db2.gz IVQRETFYXJMRBQ-QGZVFWFLSA-N 1 3 362.518 2.030 20 0 FEADHO CN(CCNC(=O)C1CC[NH+](Cc2cccn2C)CC1)Cc1ccccc1 ZINC000130910505 544170267 /nfs/dbraw/zinc/17/02/67/544170267.db2.gz FSTNVZMVDYALTJ-UHFFFAOYSA-N 1 3 368.525 2.485 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000131015267 544173836 /nfs/dbraw/zinc/17/38/36/544173836.db2.gz WAIALEPTDRUGMC-OALUTQOASA-N 1 3 368.566 2.107 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000131015267 544173838 /nfs/dbraw/zinc/17/38/38/544173838.db2.gz WAIALEPTDRUGMC-OALUTQOASA-N 1 3 368.566 2.107 20 0 FEADHO COc1cc(C)ccc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000131659698 544200709 /nfs/dbraw/zinc/20/07/09/544200709.db2.gz WFNJQMNCIOMQPO-UHFFFAOYSA-N 1 3 374.529 2.361 20 0 FEADHO COCCN1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000138632873 544397234 /nfs/dbraw/zinc/39/72/34/544397234.db2.gz SJQSDOIINYHRNE-UHFFFAOYSA-N 1 3 359.514 2.126 20 0 FEADHO CN1CCC([N@H+]2CC[C@H](NCc3ncc(Br)cc3F)C2)CC1 ZINC000623416221 676534170 /nfs/dbraw/zinc/53/41/70/676534170.db2.gz NVZCPUNXXQEAGO-ZDUSSCGKSA-N 1 3 371.298 2.241 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)ccn1 ZINC000183213283 327807536 /nfs/dbraw/zinc/80/75/36/327807536.db2.gz WLCAWWLAJQPLBE-GOSISDBHSA-N 1 3 360.502 2.113 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cncc(Br)c2)CC1 ZINC000186621118 327971436 /nfs/dbraw/zinc/97/14/36/327971436.db2.gz LVBRNBNFJYMSOU-CQSZACIVSA-N 1 3 355.324 2.207 20 0 FEADHO COC1(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000187799870 328047018 /nfs/dbraw/zinc/04/70/18/328047018.db2.gz UYHZQYMJGTXVBJ-UHFFFAOYSA-N 1 3 366.550 2.194 20 0 FEADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1(C)C ZINC000188039976 328062162 /nfs/dbraw/zinc/06/21/62/328062162.db2.gz UFXWVXWJFIFMAY-GHTZIAJQSA-N 1 3 359.514 2.431 20 0 FEADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237609021 328522011 /nfs/dbraw/zinc/52/20/11/328522011.db2.gz JDRNBCXPIUNKMV-QGZVFWFLSA-N 1 3 363.527 2.251 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000089244263 325307558 /nfs/dbraw/zinc/30/75/58/325307558.db2.gz WIEWPYGJLIIDAY-UHFFFAOYSA-N 1 3 368.472 2.131 20 0 FEADHO C[C@@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000091286692 325384668 /nfs/dbraw/zinc/38/46/68/325384668.db2.gz WOOKMZIMFLJPKF-MRXNPFEDSA-N 1 3 353.532 2.497 20 0 FEADHO CCN1CCN([C@H](C)CNC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000112917615 325812588 /nfs/dbraw/zinc/81/25/88/325812588.db2.gz CVUVFCZIRSEMFO-GOSISDBHSA-N 1 3 358.530 2.038 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000118100308 326081329 /nfs/dbraw/zinc/08/13/29/326081329.db2.gz OFRSYEBCBUXLKS-UHFFFAOYSA-N 1 3 360.502 2.067 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000118100308 326081331 /nfs/dbraw/zinc/08/13/31/326081331.db2.gz OFRSYEBCBUXLKS-UHFFFAOYSA-N 1 3 360.502 2.067 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000119080769 326124875 /nfs/dbraw/zinc/12/48/75/326124875.db2.gz YNWUNXNQCDFCFH-LAUBAEHRSA-N 1 3 373.541 2.446 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC[N@H+]1C ZINC000119080769 326124877 /nfs/dbraw/zinc/12/48/77/326124877.db2.gz YNWUNXNQCDFCFH-LAUBAEHRSA-N 1 3 373.541 2.446 20 0 FEADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000119126854 326129082 /nfs/dbraw/zinc/12/90/82/326129082.db2.gz LSRVBWDTCIBTAA-XLIONFOSSA-N 1 3 373.545 2.116 20 0 FEADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000119126854 326129083 /nfs/dbraw/zinc/12/90/83/326129083.db2.gz LSRVBWDTCIBTAA-XLIONFOSSA-N 1 3 373.545 2.116 20 0 FEADHO CCc1cnc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000120214618 326240976 /nfs/dbraw/zinc/24/09/76/326240976.db2.gz IAVFKNJLYJZTCW-UHFFFAOYSA-N 1 3 351.520 2.386 20 0 FEADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000120768511 326286790 /nfs/dbraw/zinc/28/67/90/326286790.db2.gz SHDFOLFXJZHCKP-SFTDATJTSA-N 1 3 373.541 2.494 20 0 FEADHO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000127941649 326515222 /nfs/dbraw/zinc/51/52/22/326515222.db2.gz FGASAQWHMRRNDK-UHFFFAOYSA-N 1 3 360.502 2.115 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+]C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000155562727 326793718 /nfs/dbraw/zinc/79/37/18/326793718.db2.gz QTFKEJDLVSPDIW-GOSISDBHSA-N 1 3 362.537 2.406 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])cc2)CC1 ZINC000156970801 326850051 /nfs/dbraw/zinc/85/00/51/326850051.db2.gz CPBNMZOPKVCVOM-YLJYHZDGSA-N 1 3 358.530 2.416 20 0 FEADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000164603455 327072332 /nfs/dbraw/zinc/07/23/32/327072332.db2.gz GHVPXCFRLZGTGI-XLIONFOSSA-N 1 3 359.514 2.303 20 0 FEADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000164603455 327072335 /nfs/dbraw/zinc/07/23/35/327072335.db2.gz GHVPXCFRLZGTGI-XLIONFOSSA-N 1 3 359.514 2.303 20 0 FEADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])ccc2oc1=O ZINC000166617765 327082678 /nfs/dbraw/zinc/08/26/78/327082678.db2.gz WTUJGWAVKCBXMA-CVEARBPZSA-N 1 3 374.485 2.392 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cc(F)ccc3F)CC2)CC1 ZINC000172929483 327226368 /nfs/dbraw/zinc/22/63/68/327226368.db2.gz HXWXIUIYUQTQFR-UHFFFAOYSA-N 1 3 351.441 2.182 20 0 FEADHO C[NH+](C)CCn1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)n1 ZINC000173912505 327293876 /nfs/dbraw/zinc/29/38/76/327293876.db2.gz GYDGLTBNHQGQQB-SFHVURJKSA-N 1 3 370.501 2.403 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000174163938 327309895 /nfs/dbraw/zinc/30/98/95/327309895.db2.gz UQVIYCJLQRHVLG-KRWDZBQOSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000174480562 327329531 /nfs/dbraw/zinc/32/95/31/327329531.db2.gz UKHBVMPQHYDXLJ-FQEVSTJZSA-N 1 3 372.557 2.389 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000174480562 327329535 /nfs/dbraw/zinc/32/95/35/327329535.db2.gz UKHBVMPQHYDXLJ-FQEVSTJZSA-N 1 3 372.557 2.389 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cnc1OC ZINC000174991035 327366034 /nfs/dbraw/zinc/36/60/34/327366034.db2.gz QXUJPLSUZUKHRS-INIZCTEOSA-N 1 3 363.506 2.278 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cnc1OC ZINC000174991035 327366036 /nfs/dbraw/zinc/36/60/36/327366036.db2.gz QXUJPLSUZUKHRS-INIZCTEOSA-N 1 3 363.506 2.278 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000176626740 327466719 /nfs/dbraw/zinc/46/67/19/327466719.db2.gz JAVSUYUOLRAQOJ-LJQANCHMSA-N 1 3 366.550 2.146 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC([C@H](C)[NH3+])CC3)cc2)CC1 ZINC000178869064 327612636 /nfs/dbraw/zinc/61/26/36/327612636.db2.gz FBGJIPKARSVVFT-KRWDZBQOSA-N 1 3 358.530 2.416 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1(C)C ZINC000262780087 328889091 /nfs/dbraw/zinc/88/90/91/328889091.db2.gz KNBUEUHUXKPCTN-KNQAVFIVSA-N 1 3 373.541 2.342 20 0 FEADHO COc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1OCc1cccnc1 ZINC000265912060 329172204 /nfs/dbraw/zinc/17/22/04/329172204.db2.gz YBIDLLVEJVPBST-UHFFFAOYSA-N 1 3 371.481 2.216 20 0 FEADHO CC[C@@H](C(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1)N(C)C ZINC000268791232 329456351 /nfs/dbraw/zinc/45/63/51/329456351.db2.gz BZOFWMVRBLYBHQ-KRWDZBQOSA-N 1 3 365.518 2.372 20 0 FEADHO C[NH+]1CCC(CC(=O)NCCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000273234326 329847655 /nfs/dbraw/zinc/84/76/55/329847655.db2.gz SCIWFNCGJUMCCI-UHFFFAOYSA-N 1 3 372.557 2.437 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccnn2-c2ccccc2OC)CC1 ZINC000281814312 330176273 /nfs/dbraw/zinc/17/62/73/330176273.db2.gz WDJYUSGLXCWXPD-GOSISDBHSA-N 1 3 371.529 2.244 20 0 FEADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(OCCO)CCOCC2)CC1 ZINC000367091993 330215951 /nfs/dbraw/zinc/21/59/51/330215951.db2.gz MTUKNXXZILLEAQ-HKUYNNGSSA-N 1 3 354.535 2.177 20 0 FEADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CC2(OCCO)CCOCC2)CC1 ZINC000367091993 330215952 /nfs/dbraw/zinc/21/59/52/330215952.db2.gz MTUKNXXZILLEAQ-HKUYNNGSSA-N 1 3 354.535 2.177 20 0 FEADHO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367117374 330218862 /nfs/dbraw/zinc/21/88/62/330218862.db2.gz OLKYOVSIMYOXEO-UEXGIBASSA-N 1 3 372.557 2.353 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000369342156 330241964 /nfs/dbraw/zinc/24/19/64/330241964.db2.gz IGLSXCVNUIJMBO-SVMUCYCZSA-N 1 3 351.535 2.253 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000369342156 330241965 /nfs/dbraw/zinc/24/19/65/330241965.db2.gz IGLSXCVNUIJMBO-SVMUCYCZSA-N 1 3 351.535 2.253 20 0 FEADHO CN(C(=O)CCCN1CCC([NH3+])CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000433146391 330273167 /nfs/dbraw/zinc/27/31/67/330273167.db2.gz LGMVKUBGYFGAGS-NRFANRHFSA-N 1 3 372.557 2.313 20 0 FEADHO [NH3+]C[C@H](C(=O)NCC1(N2CCSCC2)CCCC1)c1ccc(F)cc1 ZINC000479189879 561183790 /nfs/dbraw/zinc/18/37/90/561183790.db2.gz RHTBODLWDXGWSX-KRWDZBQOSA-N 1 3 365.518 2.346 20 0 FEADHO NC[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(F)cc1 ZINC000479201412 561184322 /nfs/dbraw/zinc/18/43/22/561184322.db2.gz FOKQXAXHDPABKS-GOSISDBHSA-N 1 3 363.477 2.019 20 0 FEADHO COCCCN1CCC(NC(=O)NCCC[NH2+]C2CCCCC2)CC1 ZINC000171209638 546196985 /nfs/dbraw/zinc/19/69/85/546196985.db2.gz FKTWHWIYLWRNEA-UHFFFAOYSA-N 1 3 354.539 2.099 20 0 FEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000479792170 561197178 /nfs/dbraw/zinc/19/71/78/561197178.db2.gz IGIGUNFRKQADLS-GOSISDBHSA-N 1 3 351.535 2.402 20 0 FEADHO C[C@@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)N1CCC(C)CC1 ZINC000175687821 546334248 /nfs/dbraw/zinc/33/42/48/546334248.db2.gz HEXPDUUSZJAOQD-SFHVURJKSA-N 1 3 368.566 2.249 20 0 FEADHO CCC[N@H+](CC)CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175771078 546346931 /nfs/dbraw/zinc/34/69/31/546346931.db2.gz CWOXYAVCSRIRDI-HDICACEKSA-N 1 3 368.566 2.249 20 0 FEADHO CCC[N@@H+](CC)CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175771078 546346933 /nfs/dbraw/zinc/34/69/33/546346933.db2.gz CWOXYAVCSRIRDI-HDICACEKSA-N 1 3 368.566 2.249 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000176625964 546469420 /nfs/dbraw/zinc/46/94/20/546469420.db2.gz MYWTVXAEFUERQP-UHFFFAOYSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000480655675 561213776 /nfs/dbraw/zinc/21/37/76/561213776.db2.gz XDHYQQJUNIQWKO-WIYYLYMNSA-N 1 3 370.541 2.067 20 0 FEADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000480655675 561213777 /nfs/dbraw/zinc/21/37/77/561213777.db2.gz XDHYQQJUNIQWKO-WIYYLYMNSA-N 1 3 370.541 2.067 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@H](C)N2CCC(C[NH+](C)C)CC2)cc1F ZINC000481073866 561224497 /nfs/dbraw/zinc/22/44/97/561224497.db2.gz MAAINLLJQQYFFX-HNNXBMFYSA-N 1 3 365.493 2.455 20 0 FEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000177866994 546699244 /nfs/dbraw/zinc/69/92/44/546699244.db2.gz BGVHRCOTTLKMBG-QGZVFWFLSA-N 1 3 362.518 2.110 20 0 FEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000177866994 546699248 /nfs/dbraw/zinc/69/92/48/546699248.db2.gz BGVHRCOTTLKMBG-QGZVFWFLSA-N 1 3 362.518 2.110 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)N(C)C)cc1 ZINC000481300620 561230230 /nfs/dbraw/zinc/23/02/30/561230230.db2.gz ULIJRCOSFILLDK-MJGOQNOKSA-N 1 3 364.559 2.334 20 0 FEADHO CN(C)[C@]1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCSC1 ZINC000481800768 561242666 /nfs/dbraw/zinc/24/26/66/561242666.db2.gz LGGGHPZBLNFMJZ-AEFFLSMTSA-N 1 3 354.564 2.084 20 0 FEADHO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(OCCN(C)C)cc1 ZINC000179986463 547036448 /nfs/dbraw/zinc/03/64/48/547036448.db2.gz MOCBBUKFLOTBDA-VQIMIIECSA-N 1 3 364.486 2.200 20 0 FEADHO C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000179986463 547036453 /nfs/dbraw/zinc/03/64/53/547036453.db2.gz MOCBBUKFLOTBDA-VQIMIIECSA-N 1 3 364.486 2.200 20 0 FEADHO CCc1oc(C(=O)OC)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180946511 547217626 /nfs/dbraw/zinc/21/76/26/547217626.db2.gz WATDLVZZWUGYON-UHFFFAOYSA-N 1 3 351.491 2.086 20 0 FEADHO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180951849 547218755 /nfs/dbraw/zinc/21/87/55/547218755.db2.gz PMIDITZELQECNN-KZNAEPCWSA-N 1 3 352.567 2.122 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](N3CCCC3=O)C2)CC1 ZINC000483428840 561276889 /nfs/dbraw/zinc/27/68/89/561276889.db2.gz PESPABAKMGBYBH-IBGZPJMESA-N 1 3 356.514 2.025 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](N3CCCC3=O)C2)CC1 ZINC000483428840 561276890 /nfs/dbraw/zinc/27/68/90/561276890.db2.gz PESPABAKMGBYBH-IBGZPJMESA-N 1 3 356.514 2.025 20 0 FEADHO COC[C@H]([NH2+]CC(=O)N1CCCN(Cc2ccccc2C)CC1)C1CC1 ZINC000183422945 547656933 /nfs/dbraw/zinc/65/69/33/547656933.db2.gz GSGQSXHMAGICGT-FQEVSTJZSA-N 1 3 359.514 2.044 20 0 FEADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000484939098 561308946 /nfs/dbraw/zinc/30/89/46/561308946.db2.gz RLDBRAUABWZHEY-RHSMWYFYSA-N 1 3 355.486 2.487 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185195526 547949703 /nfs/dbraw/zinc/94/97/03/547949703.db2.gz TWHUGJQFCYJLHN-UHFFFAOYSA-N 1 3 361.534 2.277 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000485790856 561328148 /nfs/dbraw/zinc/32/81/48/561328148.db2.gz UFFHFENAYNJLDT-DJIMGWMZSA-N 1 3 353.470 2.052 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ncc(COC)s1 ZINC000487176771 561365483 /nfs/dbraw/zinc/36/54/83/561365483.db2.gz NSNPRGITFVNGTC-CQSZACIVSA-N 1 3 369.535 2.169 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ncc(COC)s1 ZINC000487176771 561365484 /nfs/dbraw/zinc/36/54/84/561365484.db2.gz NSNPRGITFVNGTC-CQSZACIVSA-N 1 3 369.535 2.169 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)[C@@]2(C)CCCC[NH2+]2)cc1)[C@@H]1CCCN(C)C1 ZINC000237181823 548806574 /nfs/dbraw/zinc/80/65/74/548806574.db2.gz GJWITAYBSWJLHG-WIYYLYMNSA-N 1 3 372.513 2.324 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@]3(C)CCC[NH2+]C3)CC2)cc1 ZINC000237288285 548814711 /nfs/dbraw/zinc/81/47/11/548814711.db2.gz SAJJNPGINNUVAM-OAQYLSRUSA-N 1 3 359.514 2.413 20 0 FEADHO C[C@@H](CC(=O)NCC1(N2CCSCC2)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000237412052 548824452 /nfs/dbraw/zinc/82/44/52/548824452.db2.gz MRIFNTIGNUJSPN-DLBZAZTESA-N 1 3 353.576 2.490 20 0 FEADHO O=C(N[C@H]1CCC[NH2+]C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237784167 548853638 /nfs/dbraw/zinc/85/36/38/548853638.db2.gz ODGFYQKGEWNOCP-RDJZCZTQSA-N 1 3 355.404 2.309 20 0 FEADHO O=C(CNC[C@@H]1CCCO1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000237904220 548863084 /nfs/dbraw/zinc/86/30/84/548863084.db2.gz HAVPFYSBFSVMIB-FQEVSTJZSA-N 1 3 359.514 2.447 20 0 FEADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000238000322 548870712 /nfs/dbraw/zinc/87/07/12/548870712.db2.gz SQTDEFHBWBXXCJ-UYAOXDASSA-N 1 3 358.530 2.223 20 0 FEADHO C[C@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)N1[C@H](C)CC[C@@H]1C ZINC000245202638 548901069 /nfs/dbraw/zinc/90/10/69/548901069.db2.gz UZLKYEIOHJGJSI-QLFBSQMISA-N 1 3 374.485 2.356 20 0 FEADHO CC(C)[C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000488038228 561381915 /nfs/dbraw/zinc/38/19/15/561381915.db2.gz ZCTLBMLGZZFOQJ-NRFANRHFSA-N 1 3 372.557 2.171 20 0 FEADHO CCC[C@H](C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)N(C)C ZINC000245890712 549011334 /nfs/dbraw/zinc/01/13/34/549011334.db2.gz RPOSPVKGAUZDGR-JENIJYKNSA-N 1 3 353.551 2.455 20 0 FEADHO CC[C@H](C)[C@H](N)C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000245993378 549032101 /nfs/dbraw/zinc/03/21/01/549032101.db2.gz QZDFVILYCLKPBT-DBVUQKKJSA-N 1 3 361.530 2.264 20 0 FEADHO C[N@@H+]1CCC[C@H]2CN(C(=O)NCC3CCN(c4ccncc4)CC3)CC[C@H]21 ZINC000246294931 549099159 /nfs/dbraw/zinc/09/91/59/549099159.db2.gz CQLGBNANZCAZPK-AZUAARDMSA-N 1 3 371.529 2.424 20 0 FEADHO C[N@H+]1CCC[C@H]2CN(C(=O)NCC3CCN(c4ccncc4)CC3)CC[C@H]21 ZINC000246294931 549099164 /nfs/dbraw/zinc/09/91/64/549099164.db2.gz CQLGBNANZCAZPK-AZUAARDMSA-N 1 3 371.529 2.424 20 0 FEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000246468312 549140542 /nfs/dbraw/zinc/14/05/42/549140542.db2.gz VGKLNNYJGYRTOW-QZTJIDSGSA-N 1 3 354.539 2.003 20 0 FEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000246468312 549140543 /nfs/dbraw/zinc/14/05/43/549140543.db2.gz VGKLNNYJGYRTOW-QZTJIDSGSA-N 1 3 354.539 2.003 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@]1(C)CCCS1 ZINC000246738338 549200649 /nfs/dbraw/zinc/20/06/49/549200649.db2.gz USRZTJNQYJTROJ-FUHWJXTLSA-N 1 3 356.580 2.330 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@]1(C)CCCS1 ZINC000246738338 549200654 /nfs/dbraw/zinc/20/06/54/549200654.db2.gz USRZTJNQYJTROJ-FUHWJXTLSA-N 1 3 356.580 2.330 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000246776425 549209040 /nfs/dbraw/zinc/20/90/40/549209040.db2.gz BVEOXNZIKDCGPQ-AEFFLSMTSA-N 1 3 353.551 2.406 20 0 FEADHO COCC[C@H](Cc1cccc(F)c1)[NH2+]CCCN1CCCN(C)CC1 ZINC000246849989 549227654 /nfs/dbraw/zinc/22/76/54/549227654.db2.gz BKNBULIGKFJVGH-HXUWFJFHSA-N 1 3 351.510 2.391 20 0 FEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000247217169 549301236 /nfs/dbraw/zinc/30/12/36/549301236.db2.gz XJGDMGQOTSKBHK-SMOSDQRPSA-N 1 3 359.514 2.414 20 0 FEADHO O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000247987096 549397576 /nfs/dbraw/zinc/39/75/76/549397576.db2.gz IXYGVSNDKLBFIL-PWRODBHTSA-N 1 3 354.498 2.231 20 0 FEADHO O[C@@H](Cn1cccn1)C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000247987096 549397577 /nfs/dbraw/zinc/39/75/77/549397577.db2.gz IXYGVSNDKLBFIL-PWRODBHTSA-N 1 3 354.498 2.231 20 0 FEADHO C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000253545465 549692991 /nfs/dbraw/zinc/69/29/91/549692991.db2.gz WARZQYDFKMYGCX-CEXWTWQISA-N 1 3 364.578 2.314 20 0 FEADHO COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000261656446 549739849 /nfs/dbraw/zinc/73/98/49/549739849.db2.gz BJJPOIPWWOYJSE-SFHVURJKSA-N 1 3 365.905 2.171 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C2(N)CCCCC2)c1 ZINC000262651453 549835326 /nfs/dbraw/zinc/83/53/26/549835326.db2.gz AHZOLTVBWBVXGB-UHFFFAOYSA-N 1 3 360.502 2.358 20 0 FEADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262704115 549840816 /nfs/dbraw/zinc/84/08/16/549840816.db2.gz CUSVQPNKRBAJHC-UYAOXDASSA-N 1 3 367.497 2.375 20 0 FEADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C[C@@H]1CSCCN1 ZINC000262748318 549845623 /nfs/dbraw/zinc/84/56/23/549845623.db2.gz GFPAVDAXZHIGFG-CYBMUJFWSA-N 1 3 355.470 2.204 20 0 FEADHO CCO[C@H]1C[C@](N)(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1(C)C ZINC000262780089 549849117 /nfs/dbraw/zinc/84/91/17/549849117.db2.gz KNBUEUHUXKPCTN-UGKGYDQZSA-N 1 3 373.541 2.342 20 0 FEADHO COc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)cc(OC)c1OC ZINC000268397533 550058948 /nfs/dbraw/zinc/05/89/48/550058948.db2.gz AXCUEEYNRUVSIY-UHFFFAOYSA-N 1 3 352.475 2.037 20 0 FEADHO C[N@@H+]1CCCC[C@@H]1CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271456501 550377087 /nfs/dbraw/zinc/37/70/87/550377087.db2.gz WFINBXZUFQUJSH-FGZHOGPDSA-N 1 3 356.558 2.363 20 0 FEADHO C[N@H+]1CCCC[C@@H]1CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271456501 550377089 /nfs/dbraw/zinc/37/70/89/550377089.db2.gz WFINBXZUFQUJSH-FGZHOGPDSA-N 1 3 356.558 2.363 20 0 FEADHO CSCC[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000272489544 550452372 /nfs/dbraw/zinc/45/23/72/550452372.db2.gz SVFLPADVBHKHHI-PBHICJAKSA-N 1 3 351.516 2.426 20 0 FEADHO CSCC[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000272489544 550452374 /nfs/dbraw/zinc/45/23/74/550452374.db2.gz SVFLPADVBHKHHI-PBHICJAKSA-N 1 3 351.516 2.426 20 0 FEADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(=O)N1CCOCC1 ZINC000272680420 550464508 /nfs/dbraw/zinc/46/45/08/550464508.db2.gz SCHCYCHJDUYOLE-HOJAQTOUSA-N 1 3 359.514 2.124 20 0 FEADHO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000494442647 561469841 /nfs/dbraw/zinc/46/98/41/561469841.db2.gz LBAUHEQJCBAPKD-HXUWFJFHSA-N 1 3 373.541 2.353 20 0 FEADHO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000494442647 561469842 /nfs/dbraw/zinc/46/98/42/561469842.db2.gz LBAUHEQJCBAPKD-HXUWFJFHSA-N 1 3 373.541 2.353 20 0 FEADHO COCCN(C)c1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000276941911 550613432 /nfs/dbraw/zinc/61/34/32/550613432.db2.gz HDSPYCHNMQNRER-HDICACEKSA-N 1 3 364.534 2.143 20 0 FEADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC4(N5CCOCC5)CC4)[C@@H]3C2)cc1 ZINC000278780797 550820888 /nfs/dbraw/zinc/82/08/88/550820888.db2.gz PUIRKWUSIDCTJI-HBMCJLEFSA-N 1 3 355.526 2.351 20 0 FEADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCC4(N5CCOCC5)CC4)[C@@H]3C2)cc1 ZINC000278780797 550820890 /nfs/dbraw/zinc/82/08/90/550820890.db2.gz PUIRKWUSIDCTJI-HBMCJLEFSA-N 1 3 355.526 2.351 20 0 FEADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCC4(N5CCOCC5)CC4)[C@@H]3C2)cc1 ZINC000278780797 550820892 /nfs/dbraw/zinc/82/08/92/550820892.db2.gz PUIRKWUSIDCTJI-HBMCJLEFSA-N 1 3 355.526 2.351 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)c(C)c2)CC1 ZINC000280817281 551035452 /nfs/dbraw/zinc/03/54/52/551035452.db2.gz MVTQPKIOPZOXAV-DYESRHJHSA-N 1 3 356.514 2.465 20 0 FEADHO NC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000497326648 561498384 /nfs/dbraw/zinc/49/83/84/561498384.db2.gz XUFOCSNKVIUDBI-RTBURBONSA-N 1 3 357.498 2.007 20 0 FEADHO NC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000497326648 561498385 /nfs/dbraw/zinc/49/83/85/561498385.db2.gz XUFOCSNKVIUDBI-RTBURBONSA-N 1 3 357.498 2.007 20 0 FEADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282389662 551221698 /nfs/dbraw/zinc/22/16/98/551221698.db2.gz RBEQGZQODANCML-HNNXBMFYSA-N 1 3 350.482 2.158 20 0 FEADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(N2CCOC2=O)c1 ZINC000282516861 551240677 /nfs/dbraw/zinc/24/06/77/551240677.db2.gz ZKKKDUXGGYRPKI-MRXNPFEDSA-N 1 3 360.502 2.320 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)Cc2ccccc2C1 ZINC000497489661 561501804 /nfs/dbraw/zinc/50/18/04/561501804.db2.gz OHXHXNVZLJXKNG-PMACEKPBSA-N 1 3 370.541 2.211 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)Cc2ccccc2C1 ZINC000497489661 561501805 /nfs/dbraw/zinc/50/18/05/561501805.db2.gz OHXHXNVZLJXKNG-PMACEKPBSA-N 1 3 370.541 2.211 20 0 FEADHO CCC[C@@](C)([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000498075877 561515482 /nfs/dbraw/zinc/51/54/82/561515482.db2.gz DDFTXLJHBRQMRF-LJQANCHMSA-N 1 3 351.466 2.303 20 0 FEADHO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H](c1ccccc1)N(C)C ZINC000498610578 561530174 /nfs/dbraw/zinc/53/01/74/561530174.db2.gz QKDNVQSSSKDYIP-KVSKMBFKSA-N 1 3 364.559 2.414 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000499303624 561548281 /nfs/dbraw/zinc/54/82/81/561548281.db2.gz OOENMVZJSIWHJS-GMBSWORKSA-N 1 3 360.502 2.222 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000499303624 561548282 /nfs/dbraw/zinc/54/82/82/561548282.db2.gz OOENMVZJSIWHJS-GMBSWORKSA-N 1 3 360.502 2.222 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000499303626 561548331 /nfs/dbraw/zinc/54/83/31/561548331.db2.gz OOENMVZJSIWHJS-QOKNQOGYSA-N 1 3 360.502 2.222 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000499303626 561548332 /nfs/dbraw/zinc/54/83/32/561548332.db2.gz OOENMVZJSIWHJS-QOKNQOGYSA-N 1 3 360.502 2.222 20 0 FEADHO Cc1cc(C[NH+]2CCC(CN3CCN(C)CC3)CC2)ccc1-n1cncn1 ZINC000289397950 552314624 /nfs/dbraw/zinc/31/46/24/552314624.db2.gz GBHSJLGAWIDSQR-UHFFFAOYSA-N 1 3 368.529 2.035 20 0 FEADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000290041388 552418692 /nfs/dbraw/zinc/41/86/92/552418692.db2.gz DLXXZICIFXAPQI-NHCUHLMSSA-N 1 3 372.557 2.339 20 0 FEADHO C[C@H](C(=O)NCc1ccncc1OCCC[NH+](C)C)N1[C@H](C)CC[C@@H]1C ZINC000290554470 552497414 /nfs/dbraw/zinc/49/74/14/552497414.db2.gz FETHYPMDZUZBFR-IXDOHACOSA-N 1 3 362.518 2.290 20 0 FEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1OCCN(C)C ZINC000290701239 552522259 /nfs/dbraw/zinc/52/22/59/552522259.db2.gz KRHNVKJPVKGWDQ-MRXNPFEDSA-N 1 3 350.507 2.155 20 0 FEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1OCCN(C)C ZINC000290701239 552522260 /nfs/dbraw/zinc/52/22/60/552522260.db2.gz KRHNVKJPVKGWDQ-MRXNPFEDSA-N 1 3 350.507 2.155 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292362793 552719618 /nfs/dbraw/zinc/71/96/18/552719618.db2.gz QMPDLRNKOWFYSD-SLYNCCJLSA-N 1 3 356.514 2.244 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292362793 552719620 /nfs/dbraw/zinc/71/96/20/552719620.db2.gz QMPDLRNKOWFYSD-SLYNCCJLSA-N 1 3 356.514 2.244 20 0 FEADHO COc1cc(CN(CCO)C2CCC2)cc(C[N@H+](CCO)C2CCC2)c1 ZINC000292846380 552764535 /nfs/dbraw/zinc/76/45/35/552764535.db2.gz FPIRMGUNDGYDGY-UHFFFAOYSA-N 1 3 362.514 2.389 20 0 FEADHO COc1cc(CN(CCO)C2CCC2)cc(C[N@@H+](CCO)C2CCC2)c1 ZINC000292846380 552764536 /nfs/dbraw/zinc/76/45/36/552764536.db2.gz FPIRMGUNDGYDGY-UHFFFAOYSA-N 1 3 362.514 2.389 20 0 FEADHO O[C@H](Cc1ccc(F)cc1)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000292908295 552769971 /nfs/dbraw/zinc/76/99/71/552769971.db2.gz WPSKBFFIVKDIDK-LJQANCHMSA-N 1 3 350.478 2.306 20 0 FEADHO C[N@@H+]1CCC[C@@]2(CCN(CCCCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000293060521 552784839 /nfs/dbraw/zinc/78/48/39/552784839.db2.gz URTNIFRWZRVPRC-OAQYLSRUSA-N 1 3 355.482 2.481 20 0 FEADHO C[N@H+]1CCC[C@@]2(CCN(CCCCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000293060521 552784841 /nfs/dbraw/zinc/78/48/41/552784841.db2.gz URTNIFRWZRVPRC-OAQYLSRUSA-N 1 3 355.482 2.481 20 0 FEADHO CN(C)CCn1nccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000293921131 552868097 /nfs/dbraw/zinc/86/80/97/552868097.db2.gz AZZTUTUBWJXPSS-UHFFFAOYSA-N 1 3 355.486 2.295 20 0 FEADHO CN(C)CCn1nccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000293943406 552869727 /nfs/dbraw/zinc/86/97/27/552869727.db2.gz CWLGMIQUWNYXNU-GOSISDBHSA-N 1 3 355.486 2.295 20 0 FEADHO CN(C)CCn1nccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000293943406 552869728 /nfs/dbraw/zinc/86/97/28/552869728.db2.gz CWLGMIQUWNYXNU-GOSISDBHSA-N 1 3 355.486 2.295 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000501734338 561604256 /nfs/dbraw/zinc/60/42/56/561604256.db2.gz NVQHOYJZCGWGGL-WOJBJXKFSA-N 1 3 356.514 2.361 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000501734338 561604257 /nfs/dbraw/zinc/60/42/57/561604257.db2.gz NVQHOYJZCGWGGL-WOJBJXKFSA-N 1 3 356.514 2.361 20 0 FEADHO CC[C@@H](C)N1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000296088373 553103111 /nfs/dbraw/zinc/10/31/11/553103111.db2.gz PPELYLZQWFMPFA-LJQANCHMSA-N 1 3 372.557 2.315 20 0 FEADHO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)CO2 ZINC000296244208 553128665 /nfs/dbraw/zinc/12/86/65/553128665.db2.gz AYQJQZRNQNWSOE-WOJBJXKFSA-N 1 3 368.477 2.355 20 0 FEADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)C1 ZINC000502763753 561624897 /nfs/dbraw/zinc/62/48/97/561624897.db2.gz WEPNRKSSOYNEGU-FHWLQOOXSA-N 1 3 366.550 2.146 20 0 FEADHO c1cc(CNC2CCN(c3cc[nH+]cc3)CC2)nc(N2CCOCC2)c1 ZINC000297343310 553280770 /nfs/dbraw/zinc/28/07/70/553280770.db2.gz DTKXDIDOKNLZLL-UHFFFAOYSA-N 1 3 353.470 2.072 20 0 FEADHO CC(C)N1CCN(C2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000503226784 561637358 /nfs/dbraw/zinc/63/73/58/561637358.db2.gz SDIOSYDFORCBLS-LJQANCHMSA-N 1 3 364.578 2.268 20 0 FEADHO CC(C)N1CCN(C2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000503226784 561637359 /nfs/dbraw/zinc/63/73/59/561637359.db2.gz SDIOSYDFORCBLS-LJQANCHMSA-N 1 3 364.578 2.268 20 0 FEADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000503884498 561649297 /nfs/dbraw/zinc/64/92/97/561649297.db2.gz LTWSMJVKAJUUQM-AABGKKOBSA-N 1 3 361.530 2.152 20 0 FEADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000503884502 561649383 /nfs/dbraw/zinc/64/93/83/561649383.db2.gz LTWSMJVKAJUUQM-UFYCRDLUSA-N 1 3 361.530 2.152 20 0 FEADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000503884508 561649397 /nfs/dbraw/zinc/64/93/97/561649397.db2.gz LTWSMJVKAJUUQM-ZCNNSNEGSA-N 1 3 361.530 2.152 20 0 FEADHO CCC(CC)(C[NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000504220971 561654551 /nfs/dbraw/zinc/65/45/51/561654551.db2.gz SJRFQEGJZISVJA-UHFFFAOYSA-N 1 3 360.546 2.076 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)CC1 ZINC000504569420 561659790 /nfs/dbraw/zinc/65/97/90/561659790.db2.gz ZBNJKFKWQONDLE-DYESRHJHSA-N 1 3 359.514 2.460 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)CC1 ZINC000504569420 561659791 /nfs/dbraw/zinc/65/97/91/561659791.db2.gz ZBNJKFKWQONDLE-DYESRHJHSA-N 1 3 359.514 2.460 20 0 FEADHO COCC[N@H+](C)CC[C@@H](NC(=O)NC1CCN(C)CC1)c1ccccc1 ZINC000509421018 561798871 /nfs/dbraw/zinc/79/88/71/561798871.db2.gz YKMGJKOPLWPYOO-LJQANCHMSA-N 1 3 362.518 2.089 20 0 FEADHO COCC[N@@H+](C)CC[C@@H](NC(=O)NC1CCN(C)CC1)c1ccccc1 ZINC000509421018 561798872 /nfs/dbraw/zinc/79/88/72/561798872.db2.gz YKMGJKOPLWPYOO-LJQANCHMSA-N 1 3 362.518 2.089 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC3(C)CC[NH+](C)CC3)CC2)c1 ZINC000509451735 561800280 /nfs/dbraw/zinc/80/02/80/561800280.db2.gz PGNNISYXTOSOBE-UHFFFAOYSA-N 1 3 372.557 2.355 20 0 FEADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000333090560 554570748 /nfs/dbraw/zinc/57/07/48/554570748.db2.gz CIZBISFELQZCQK-FPOVZHCZSA-N 1 3 359.514 2.242 20 0 FEADHO Cc1nn(-c2ccccn2)c(C)c1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333194969 554587479 /nfs/dbraw/zinc/58/74/79/554587479.db2.gz VYSXJEUJTGRLKD-MOPGFXCFSA-N 1 3 367.497 2.085 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC(N[C@H](C)[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000333251076 554594480 /nfs/dbraw/zinc/59/44/80/554594480.db2.gz GTMXFFPTIJFRPF-APWZRJJASA-N 1 3 365.543 2.268 20 0 FEADHO [NH3+]C1(CNC(=O)N2CC[C@H](N3CCCCC3)C2)C2CC3CC(C2)CC1C3 ZINC000333905026 554654597 /nfs/dbraw/zinc/65/45/97/554654597.db2.gz JPNKQFGXEYCMJR-WLGSGIEKSA-N 1 3 360.546 2.410 20 0 FEADHO COC(=O)c1ccnc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000362302048 554961361 /nfs/dbraw/zinc/96/13/61/554961361.db2.gz AXXMAPTXJWTFBD-ROUUACIJSA-N 1 3 358.486 2.053 20 0 FEADHO COC(=O)c1ccnc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000362302048 554961363 /nfs/dbraw/zinc/96/13/63/554961363.db2.gz AXXMAPTXJWTFBD-ROUUACIJSA-N 1 3 358.486 2.053 20 0 FEADHO COC(=O)c1ccnc(N2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)c1 ZINC000362302048 554961364 /nfs/dbraw/zinc/96/13/64/554961364.db2.gz AXXMAPTXJWTFBD-ROUUACIJSA-N 1 3 358.486 2.053 20 0 FEADHO CN(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CCN(c2ccncc2)CC1 ZINC000363192726 555050154 /nfs/dbraw/zinc/05/01/54/555050154.db2.gz MXDZZDGZPPHFRC-INIZCTEOSA-N 1 3 357.502 2.176 20 0 FEADHO CN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C1CCN(c2ccncc2)CC1 ZINC000363192726 555050155 /nfs/dbraw/zinc/05/01/55/555050155.db2.gz MXDZZDGZPPHFRC-INIZCTEOSA-N 1 3 357.502 2.176 20 0 FEADHO C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363715318 555170417 /nfs/dbraw/zinc/17/04/17/555170417.db2.gz VDMMEHLWNLWVLY-IHPCNDPISA-N 1 3 353.514 2.499 20 0 FEADHO C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363715318 555170418 /nfs/dbraw/zinc/17/04/18/555170418.db2.gz VDMMEHLWNLWVLY-IHPCNDPISA-N 1 3 353.514 2.499 20 0 FEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000364206585 555269658 /nfs/dbraw/zinc/26/96/58/555269658.db2.gz KRHYGTCVLASHAT-PMACEKPBSA-N 1 3 373.545 2.467 20 0 FEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000364206585 555269662 /nfs/dbraw/zinc/26/96/62/555269662.db2.gz KRHYGTCVLASHAT-PMACEKPBSA-N 1 3 373.545 2.467 20 0 FEADHO CN1CC[C@@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@H]1c1cccs1 ZINC000364327625 555292089 /nfs/dbraw/zinc/29/20/89/555292089.db2.gz PGJMJKASXJMHTD-UXLLHSPISA-N 1 3 350.532 2.477 20 0 FEADHO O=C(N[C@@H](CO)CN1CCCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000512384201 561902858 /nfs/dbraw/zinc/90/28/58/561902858.db2.gz LOVBVMFNQAIHNT-HXUWFJFHSA-N 1 3 359.514 2.249 20 0 FEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000364831138 555410066 /nfs/dbraw/zinc/41/00/66/555410066.db2.gz UOKWDVRGTAFYGX-ROUUACIJSA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000364831138 555410068 /nfs/dbraw/zinc/41/00/68/555410068.db2.gz UOKWDVRGTAFYGX-ROUUACIJSA-N 1 3 366.550 2.002 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CCC([NH2+]C2CCCC2)CC1)c1ccccc1 ZINC000364923330 555438929 /nfs/dbraw/zinc/43/89/29/555438929.db2.gz ZHACEYBHYXORMX-OAQYLSRUSA-N 1 3 372.557 2.402 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCSC(C)(C)CC3)CC2)CC1 ZINC000365002481 555462044 /nfs/dbraw/zinc/46/20/44/555462044.db2.gz ALFDEXQSWGDOBV-UHFFFAOYSA-N 1 3 368.591 2.472 20 0 FEADHO CN(C)Cc1ccccc1C(=O)N1CCC(CC[NH+]2CCN(C)CC2)CC1 ZINC000365895583 555694440 /nfs/dbraw/zinc/69/44/40/555694440.db2.gz MKBPMJVDSACKSH-UHFFFAOYSA-N 1 3 372.557 2.238 20 0 FEADHO CN1CC[C@H]([NH2+]CCN2CCN(Cc3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000514081692 561959551 /nfs/dbraw/zinc/95/95/51/561959551.db2.gz DEIWZDJHEIJBLP-FDFHNCONSA-N 1 3 356.558 2.267 20 0 FEADHO C[N@@H+]1CC[C@H](NCCN2CCN(Cc3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000514081692 561959553 /nfs/dbraw/zinc/95/95/53/561959553.db2.gz DEIWZDJHEIJBLP-FDFHNCONSA-N 1 3 356.558 2.267 20 0 FEADHO C[N@H+]1CC[C@H](NCCN2CCN(Cc3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000514081692 561959555 /nfs/dbraw/zinc/95/95/55/561959555.db2.gz DEIWZDJHEIJBLP-FDFHNCONSA-N 1 3 356.558 2.267 20 0 FEADHO CN1CC[C@H]([NH2+]CCN2CCN(Cc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000514081690 561959623 /nfs/dbraw/zinc/95/96/23/561959623.db2.gz DEIWZDJHEIJBLP-BHIFYINESA-N 1 3 356.558 2.267 20 0 FEADHO C[N@@H+]1CC[C@H](NCCN2CCN(Cc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000514081690 561959624 /nfs/dbraw/zinc/95/96/24/561959624.db2.gz DEIWZDJHEIJBLP-BHIFYINESA-N 1 3 356.558 2.267 20 0 FEADHO C[N@H+]1CC[C@H](NCCN2CCN(Cc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000514081690 561959625 /nfs/dbraw/zinc/95/96/25/561959625.db2.gz DEIWZDJHEIJBLP-BHIFYINESA-N 1 3 356.558 2.267 20 0 FEADHO CC[NH+](CC)CCCN1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000514142697 561961639 /nfs/dbraw/zinc/96/16/39/561961639.db2.gz VLRCHPDNNIYEPM-RTBURBONSA-N 1 3 355.567 2.309 20 0 FEADHO CN1CCC2(CCCN2C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000367478643 556061325 /nfs/dbraw/zinc/06/13/25/556061325.db2.gz LNSUEKXROJLSRS-UHFFFAOYSA-N 1 3 374.529 2.397 20 0 FEADHO CCOC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c1 ZINC000514931916 561987523 /nfs/dbraw/zinc/98/75/23/561987523.db2.gz CGPUCOIYVKFZAW-FGTMMUONSA-N 1 3 364.486 2.065 20 0 FEADHO C[NH2+]CCC1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000515059446 561994475 /nfs/dbraw/zinc/99/44/75/561994475.db2.gz IDMLXNVOQHPOFJ-UHFFFAOYSA-N 1 3 372.557 2.437 20 0 FEADHO O[C@H](COCC(F)(F)F)CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368396568 556296462 /nfs/dbraw/zinc/29/64/62/556296462.db2.gz DUMFRJBBYYODLY-KURKYZTESA-N 1 3 372.431 2.380 20 0 FEADHO O[C@H](COCC(F)(F)F)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368396568 556296469 /nfs/dbraw/zinc/29/64/69/556296469.db2.gz DUMFRJBBYYODLY-KURKYZTESA-N 1 3 372.431 2.380 20 0 FEADHO CN1CCN(Cc2ccc(NC(=O)[C@H](C[NH3+])c3ccccc3)cc2)CC1 ZINC000515643040 562018063 /nfs/dbraw/zinc/01/80/63/562018063.db2.gz WXOUVHJMRLRUHP-HXUWFJFHSA-N 1 3 352.482 2.115 20 0 FEADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369307623 556570254 /nfs/dbraw/zinc/57/02/54/556570254.db2.gz OIZMMURIXIHZTP-YZGWKJHDSA-N 1 3 371.529 2.172 20 0 FEADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369307623 556570255 /nfs/dbraw/zinc/57/02/55/556570255.db2.gz OIZMMURIXIHZTP-YZGWKJHDSA-N 1 3 371.529 2.172 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369395411 556589438 /nfs/dbraw/zinc/58/94/38/556589438.db2.gz MLEIGNSQUIDLHN-ZSYWTGECSA-N 1 3 366.550 2.049 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369395411 556589439 /nfs/dbraw/zinc/58/94/39/556589439.db2.gz MLEIGNSQUIDLHN-ZSYWTGECSA-N 1 3 366.550 2.049 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)[C@H](C)C1 ZINC000369639267 556655005 /nfs/dbraw/zinc/65/50/05/556655005.db2.gz GOTGAIGWMHTBCH-QZTJIDSGSA-N 1 3 351.535 2.210 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)[C@H](C)C1 ZINC000369639267 556655007 /nfs/dbraw/zinc/65/50/07/556655007.db2.gz GOTGAIGWMHTBCH-QZTJIDSGSA-N 1 3 351.535 2.210 20 0 FEADHO COCCCN1CCCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000369660898 556662259 /nfs/dbraw/zinc/66/22/59/556662259.db2.gz MXPBWJDFNTZWNM-UHFFFAOYSA-N 1 3 368.566 2.396 20 0 FEADHO Cn1cc(CNCCC[NH+]2CCC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000516490198 562044656 /nfs/dbraw/zinc/04/46/56/562044656.db2.gz DYLHGUJXNXZKGC-UHFFFAOYSA-N 1 3 356.470 2.434 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)CC[N@@H+]1C ZINC000369862731 556715377 /nfs/dbraw/zinc/71/53/77/556715377.db2.gz USIYDVNZAOERKF-RLLQIKCJSA-N 1 3 373.545 2.418 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)CC[N@H+]1C ZINC000369862731 556715379 /nfs/dbraw/zinc/71/53/79/556715379.db2.gz USIYDVNZAOERKF-RLLQIKCJSA-N 1 3 373.545 2.418 20 0 FEADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000370263505 556824468 /nfs/dbraw/zinc/82/44/68/556824468.db2.gz YJPLWOFSWXVMAZ-RDJZCZTQSA-N 1 3 362.543 2.074 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000370303798 556835167 /nfs/dbraw/zinc/83/51/67/556835167.db2.gz VBBQDUQGISECEO-RLLQIKCJSA-N 1 3 373.545 2.275 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000370303798 556835170 /nfs/dbraw/zinc/83/51/70/556835170.db2.gz VBBQDUQGISECEO-RLLQIKCJSA-N 1 3 373.545 2.275 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000370369771 556853113 /nfs/dbraw/zinc/85/31/13/556853113.db2.gz LBVHYQNWLMPHTD-GOSISDBHSA-N 1 3 351.535 2.116 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000370369771 556853116 /nfs/dbraw/zinc/85/31/16/556853116.db2.gz LBVHYQNWLMPHTD-GOSISDBHSA-N 1 3 351.535 2.116 20 0 FEADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cccc(N2CCOCC2)c1 ZINC000370632500 556926386 /nfs/dbraw/zinc/92/63/86/556926386.db2.gz BGLIEKHXNQCANP-ICSRJNTNSA-N 1 3 372.557 2.342 20 0 FEADHO C[N@H+](Cc1ccccc1)[C@H]1CCCN(CCC(=O)N2CCOCC2)CC1 ZINC000371101910 557075447 /nfs/dbraw/zinc/07/54/47/557075447.db2.gz XODSHCDPWTYZBZ-FQEVSTJZSA-N 1 3 359.514 2.222 20 0 FEADHO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(CCC(=O)N2CCOCC2)CC1 ZINC000371101910 557075448 /nfs/dbraw/zinc/07/54/48/557075448.db2.gz XODSHCDPWTYZBZ-FQEVSTJZSA-N 1 3 359.514 2.222 20 0 FEADHO CN(Cc1ccccc1)[C@H]1CCC[N@H+](CCC(=O)N2CCOCC2)CC1 ZINC000371101910 557075449 /nfs/dbraw/zinc/07/54/49/557075449.db2.gz XODSHCDPWTYZBZ-FQEVSTJZSA-N 1 3 359.514 2.222 20 0 FEADHO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)CC1 ZINC000371101910 557075450 /nfs/dbraw/zinc/07/54/50/557075450.db2.gz XODSHCDPWTYZBZ-FQEVSTJZSA-N 1 3 359.514 2.222 20 0 FEADHO C[C@@H]1CN(CCC(=O)Nc2ccc(F)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371336273 557151221 /nfs/dbraw/zinc/15/12/21/557151221.db2.gz OPAJWUPXGIAJJG-APWZRJJASA-N 1 3 362.493 2.112 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000517423294 562089774 /nfs/dbraw/zinc/08/97/74/562089774.db2.gz UGRVZKCOGCWBLG-QGZVFWFLSA-N 1 3 368.566 2.440 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000517423294 562089776 /nfs/dbraw/zinc/08/97/76/562089776.db2.gz UGRVZKCOGCWBLG-QGZVFWFLSA-N 1 3 368.566 2.440 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)c1 ZINC000371506794 557204429 /nfs/dbraw/zinc/20/44/29/557204429.db2.gz VGWOAGRSNSEHNQ-IEBWSBKVSA-N 1 3 372.513 2.020 20 0 FEADHO C[NH+]1CCC(C)(CNC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000371580776 557229246 /nfs/dbraw/zinc/22/92/46/557229246.db2.gz OVZKWSNIUUTVEN-IBGZPJMESA-N 1 3 373.545 2.325 20 0 FEADHO CC[C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CCN1Cc1ccccc1 ZINC000518371709 562109916 /nfs/dbraw/zinc/10/99/16/562109916.db2.gz GUQJFZRQVAHVPR-ZWKOTPCHSA-N 1 3 367.497 2.223 20 0 FEADHO Cn1c(Cl)cnc1CN1CCC[N@H+](CC[C@@H]2CCCCN2C)CC1 ZINC000372016668 557356716 /nfs/dbraw/zinc/35/67/16/557356716.db2.gz HHDVLJKTEKRJSD-INIZCTEOSA-N 1 3 353.942 2.456 20 0 FEADHO Cn1c(Cl)cnc1CN1CCC[N@@H+](CC[C@@H]2CCCCN2C)CC1 ZINC000372016668 557356718 /nfs/dbraw/zinc/35/67/18/557356718.db2.gz HHDVLJKTEKRJSD-INIZCTEOSA-N 1 3 353.942 2.456 20 0 FEADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000518939656 562121442 /nfs/dbraw/zinc/12/14/42/562121442.db2.gz RHQFHQZFNGKLJY-JKSUJKDBSA-N 1 3 354.564 2.117 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)[C@H](OC)C3)CC2)CC1 ZINC000519178733 562126691 /nfs/dbraw/zinc/12/66/91/562126691.db2.gz NKQNROVGZLKJIV-QFBILLFUSA-N 1 3 351.535 2.066 20 0 FEADHO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000373172327 557643173 /nfs/dbraw/zinc/64/31/73/557643173.db2.gz INZSJPCMJXSIBX-TYPHKJRUSA-N 1 3 364.530 2.385 20 0 FEADHO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000373172327 557643174 /nfs/dbraw/zinc/64/31/74/557643174.db2.gz INZSJPCMJXSIBX-TYPHKJRUSA-N 1 3 364.530 2.385 20 0 FEADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000373242575 557657241 /nfs/dbraw/zinc/65/72/41/557657241.db2.gz LYXAEFXQNGFMFT-ICSRJNTNSA-N 1 3 356.514 2.407 20 0 FEADHO O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000373281787 557664393 /nfs/dbraw/zinc/66/43/93/557664393.db2.gz URZXBELMSCWVCH-NJDAHSKKSA-N 1 3 371.525 2.134 20 0 FEADHO O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000373281787 557664395 /nfs/dbraw/zinc/66/43/95/557664395.db2.gz URZXBELMSCWVCH-NJDAHSKKSA-N 1 3 371.525 2.134 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)COCc2ccc(Cl)cc2)CCCO1 ZINC000520219887 562150990 /nfs/dbraw/zinc/15/09/90/562150990.db2.gz MUDQMZMWYMPXOY-APWZRJJASA-N 1 3 370.921 2.308 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)COCc2ccc(Cl)cc2)CCCO1 ZINC000520219887 562150991 /nfs/dbraw/zinc/15/09/91/562150991.db2.gz MUDQMZMWYMPXOY-APWZRJJASA-N 1 3 370.921 2.308 20 0 FEADHO O=C1CCC(=O)N1CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000374033768 557811448 /nfs/dbraw/zinc/81/14/48/557811448.db2.gz QWAYCUXLEVUZTE-OAQYLSRUSA-N 1 3 355.482 2.124 20 0 FEADHO O=C1CCC(=O)N1CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000374033768 557811449 /nfs/dbraw/zinc/81/14/49/557811449.db2.gz QWAYCUXLEVUZTE-OAQYLSRUSA-N 1 3 355.482 2.124 20 0 FEADHO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1-n1cncn1 ZINC000374254709 557851958 /nfs/dbraw/zinc/85/19/58/557851958.db2.gz NGIRHEOFAPZDDN-ICSRJNTNSA-N 1 3 368.529 2.034 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000521522329 562178032 /nfs/dbraw/zinc/17/80/32/562178032.db2.gz YHBPURUCMPDMIR-LJQANCHMSA-N 1 3 374.529 2.049 20 0 FEADHO COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CCN(C3CCN(C)CC3)C1)CC2 ZINC000375647124 558061940 /nfs/dbraw/zinc/06/19/40/558061940.db2.gz BSFXSMSODVSDFL-QFBILLFUSA-N 1 3 359.514 2.449 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000376094150 558126399 /nfs/dbraw/zinc/12/63/99/558126399.db2.gz JLTGBNREIGKGFO-ROUUACIJSA-N 1 3 366.550 2.003 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc2)CC1 ZINC000376196839 558139656 /nfs/dbraw/zinc/13/96/56/558139656.db2.gz NSCVBRZJXIOIRC-CTNGQTDRSA-N 1 3 370.541 2.433 20 0 FEADHO C[N@@H+]1CCCN(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000521781104 562183475 /nfs/dbraw/zinc/18/34/75/562183475.db2.gz VWDCRAXHGBTJQM-UHFFFAOYSA-N 1 3 366.550 2.147 20 0 FEADHO C[N@H+]1CCCN(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000521781104 562183476 /nfs/dbraw/zinc/18/34/76/562183476.db2.gz VWDCRAXHGBTJQM-UHFFFAOYSA-N 1 3 366.550 2.147 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000377442202 558341662 /nfs/dbraw/zinc/34/16/62/558341662.db2.gz CHFQHLXUOKNRNC-IBGZPJMESA-N 1 3 358.530 2.429 20 0 FEADHO CN(C)CCOc1cnccc1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000377443640 558342163 /nfs/dbraw/zinc/34/21/63/558342163.db2.gz WGESDBQCBXKODE-KRWDZBQOSA-N 1 3 369.469 2.160 20 0 FEADHO CN([C@@H]1CCN(c2ccccc2F)C1=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378295378 558522379 /nfs/dbraw/zinc/52/23/79/558522379.db2.gz PKJSWRIAUWJVAI-FXAWDEMLSA-N 1 3 374.504 2.031 20 0 FEADHO C[C@@H]1CN(CCC(=O)Nc2cccc(F)c2)CC[N@@H+]1C1CCN(C)CC1 ZINC000378373565 558543124 /nfs/dbraw/zinc/54/31/24/558543124.db2.gz XOKNDEVIDGSGPL-MRXNPFEDSA-N 1 3 362.493 2.255 20 0 FEADHO C[C@@H]1CN(CCC(=O)Nc2cccc(F)c2)CC[N@H+]1C1CCN(C)CC1 ZINC000378373565 558543126 /nfs/dbraw/zinc/54/31/26/558543126.db2.gz XOKNDEVIDGSGPL-MRXNPFEDSA-N 1 3 362.493 2.255 20 0 FEADHO C[C@@H]1CN(CCC(=O)Nc2cccc(F)c2)CCN1C1CC[NH+](C)CC1 ZINC000378373565 558543127 /nfs/dbraw/zinc/54/31/27/558543127.db2.gz XOKNDEVIDGSGPL-MRXNPFEDSA-N 1 3 362.493 2.255 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000523650731 562216675 /nfs/dbraw/zinc/21/66/75/562216675.db2.gz OECPCAFNOUYQOB-GUDVDZBRSA-N 1 3 353.551 2.456 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000523650731 562216676 /nfs/dbraw/zinc/21/66/76/562216676.db2.gz OECPCAFNOUYQOB-GUDVDZBRSA-N 1 3 353.551 2.456 20 0 FEADHO NC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000378561651 558583686 /nfs/dbraw/zinc/58/36/86/558583686.db2.gz CYFGWQLBWCZQKR-YZGWKJHDSA-N 1 3 356.514 2.420 20 0 FEADHO CCOC(=O)CC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390159978 558610686 /nfs/dbraw/zinc/61/06/86/558610686.db2.gz NTIUEMJSVQQPQW-NXEWRWPSSA-N 1 3 360.498 2.476 20 0 FEADHO CCOC(=O)CC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390159978 558610687 /nfs/dbraw/zinc/61/06/87/558610687.db2.gz NTIUEMJSVQQPQW-NXEWRWPSSA-N 1 3 360.498 2.476 20 0 FEADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000391027036 558613215 /nfs/dbraw/zinc/61/32/15/558613215.db2.gz SXSPOGBZGRDBFL-BQJUDKOJSA-N 1 3 371.525 2.314 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000410409462 558755489 /nfs/dbraw/zinc/75/54/89/558755489.db2.gz VJMVSVFYMARRRF-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000525449633 562248274 /nfs/dbraw/zinc/24/82/74/562248274.db2.gz PMTJHSVYZADFPN-QGZVFWFLSA-N 1 3 366.481 2.174 20 0 FEADHO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)CC1 ZINC000411248866 558860564 /nfs/dbraw/zinc/86/05/64/558860564.db2.gz UYWPBGNWAKXODV-UHFFFAOYSA-N 1 3 374.529 2.233 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1CN(C)C ZINC000411249485 558860824 /nfs/dbraw/zinc/86/08/24/558860824.db2.gz YXYVKBXOSVDUIU-QGZVFWFLSA-N 1 3 374.529 2.232 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)ccc1CN(C)C ZINC000411249485 558860826 /nfs/dbraw/zinc/86/08/26/558860826.db2.gz YXYVKBXOSVDUIU-QGZVFWFLSA-N 1 3 374.529 2.232 20 0 FEADHO CN(C)[C@@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000525383380 562247105 /nfs/dbraw/zinc/24/71/05/562247105.db2.gz INEQJELRRXMTRT-RBBKRZOGSA-N 1 3 367.493 2.043 20 0 FEADHO CN(C)[C@@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000525383380 562247106 /nfs/dbraw/zinc/24/71/06/562247106.db2.gz INEQJELRRXMTRT-RBBKRZOGSA-N 1 3 367.493 2.043 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)ccc1CN(C)C ZINC000411356127 558883869 /nfs/dbraw/zinc/88/38/69/558883869.db2.gz LBEPJTWHTLRQJV-KRWDZBQOSA-N 1 3 374.529 2.376 20 0 FEADHO CO[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000525813109 562255807 /nfs/dbraw/zinc/25/58/07/562255807.db2.gz ARYAOKYJSZNVMJ-QGZVFWFLSA-N 1 3 370.925 2.162 20 0 FEADHO C[C@@H](CO)N1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412280103 559024631 /nfs/dbraw/zinc/02/46/31/559024631.db2.gz LLSZYIMXLDEXFN-SFHVURJKSA-N 1 3 359.514 2.201 20 0 FEADHO C[C@H]1C[C@H]1N1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[C@@H](C)C1 ZINC000412359324 559030747 /nfs/dbraw/zinc/03/07/47/559030747.db2.gz JZLZEUVOEYYTKC-RNIPGJKVSA-N 1 3 365.587 2.393 20 0 FEADHO CN(C)Cc1ccc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)c(F)c1 ZINC000412556317 559042845 /nfs/dbraw/zinc/04/28/45/559042845.db2.gz FAPBSTCRHGIDBR-UHFFFAOYSA-N 1 3 360.433 2.475 20 0 FEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413973291 559144264 /nfs/dbraw/zinc/14/42/64/559144264.db2.gz CLKOVQDRTLKKLT-QZTJIDSGSA-N 1 3 359.514 2.003 20 0 FEADHO COc1ccc(C)cc1[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414188849 559152192 /nfs/dbraw/zinc/15/21/92/559152192.db2.gz JJEZOZCTRPDHHZ-GOSISDBHSA-N 1 3 361.530 2.451 20 0 FEADHO CN1CCC(C[NH2+][C@@H](Cc2ccccc2)C2CC2)(N2CCOCC2)CC1 ZINC000414203794 559152971 /nfs/dbraw/zinc/15/29/71/559152971.db2.gz VMPMAYJXAMGMSE-NRFANRHFSA-N 1 3 357.542 2.394 20 0 FEADHO CC(C)C[C@H](NC1CC[NH+](C2CCCCC2)CC1)C(=O)NCCN(C)C ZINC000414361096 559158611 /nfs/dbraw/zinc/15/86/11/559158611.db2.gz BLNOZPLEPYZMFY-FQEVSTJZSA-N 1 3 366.594 2.466 20 0 FEADHO CN1CCC(C[NH2+]CCc2cccc(Cl)c2)(N2CCOCC2)CC1 ZINC000414477421 559167499 /nfs/dbraw/zinc/16/74/99/559167499.db2.gz BRJRPHWIIGAAJO-UHFFFAOYSA-N 1 3 351.922 2.269 20 0 FEADHO Cn1cc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c(C(F)F)n1 ZINC000414521800 559169780 /nfs/dbraw/zinc/16/97/80/559169780.db2.gz FTZAFJXZPLJTIQ-UHFFFAOYSA-N 1 3 364.440 2.474 20 0 FEADHO CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000414664687 559178202 /nfs/dbraw/zinc/17/82/02/559178202.db2.gz UHCASBBXTWFNOO-LJQANCHMSA-N 1 3 368.481 2.283 20 0 FEADHO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414737233 559183395 /nfs/dbraw/zinc/18/33/95/559183395.db2.gz AHPFHXOZUUOYFI-RHSMWYFYSA-N 1 3 353.894 2.157 20 0 FEADHO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414737233 559183396 /nfs/dbraw/zinc/18/33/96/559183396.db2.gz AHPFHXOZUUOYFI-RHSMWYFYSA-N 1 3 353.894 2.157 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2)cc1 ZINC000414739903 559183778 /nfs/dbraw/zinc/18/37/78/559183778.db2.gz ZZABGAGNMUWLRE-INIZCTEOSA-N 1 3 368.481 2.235 20 0 FEADHO FC(F)Oc1c(Br)cccc1CNCCN1CC[NH2+]CC1 ZINC000414873549 559192154 /nfs/dbraw/zinc/19/21/54/559192154.db2.gz YAYXUCVBTXCBCE-UHFFFAOYSA-N 1 3 364.234 2.045 20 0 FEADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414960886 559197430 /nfs/dbraw/zinc/19/74/30/559197430.db2.gz YNEWFAJXPRCCBN-QWQRMKEZSA-N 1 3 358.486 2.482 20 0 FEADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414960886 559197431 /nfs/dbraw/zinc/19/74/31/559197431.db2.gz YNEWFAJXPRCCBN-QWQRMKEZSA-N 1 3 358.486 2.482 20 0 FEADHO COc1cc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1SC ZINC000414968017 559197683 /nfs/dbraw/zinc/19/76/83/559197683.db2.gz FIWIOOLMHJLVAV-HNNXBMFYSA-N 1 3 363.449 2.343 20 0 FEADHO CCOc1cc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1OC ZINC000414966724 559197710 /nfs/dbraw/zinc/19/77/10/559197710.db2.gz DSGNZKACGZSGOS-INIZCTEOSA-N 1 3 361.408 2.020 20 0 FEADHO FC(F)COc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414985646 559198786 /nfs/dbraw/zinc/19/87/86/559198786.db2.gz NGMPQDMPAPVJPP-AWEZNQCLSA-N 1 3 367.362 2.256 20 0 FEADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CNCCCO1 ZINC000415028909 559201388 /nfs/dbraw/zinc/20/13/88/559201388.db2.gz AMMIFLBFPIBEED-GXTWGEPZSA-N 1 3 355.866 2.034 20 0 FEADHO C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415064523 559203354 /nfs/dbraw/zinc/20/33/54/559203354.db2.gz CTVGRCWMLFNJHE-GOSISDBHSA-N 1 3 362.543 2.494 20 0 FEADHO C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415065668 559203549 /nfs/dbraw/zinc/20/35/49/559203549.db2.gz HECOSVRNPJIRLJ-SFHVURJKSA-N 1 3 362.543 2.494 20 0 FEADHO Cc1cc(Br)ccc1C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415075902 559204213 /nfs/dbraw/zinc/20/42/13/559204213.db2.gz APKDWEGSOKNERC-CYBMUJFWSA-N 1 3 354.292 2.044 20 0 FEADHO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415094387 559204758 /nfs/dbraw/zinc/20/47/58/559204758.db2.gz XAOGUEGVCKWRJT-IYOUNJFTSA-N 1 3 353.894 2.203 20 0 FEADHO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)c(C(F)(F)F)c1 ZINC000415089830 559204839 /nfs/dbraw/zinc/20/48/39/559204839.db2.gz YEUHGZJAYLJRFR-LBPRGKRZSA-N 1 3 359.392 2.001 20 0 FEADHO COc1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc(OC)c1O ZINC000415107771 559205483 /nfs/dbraw/zinc/20/54/83/559205483.db2.gz LPBYOZQCUPKLND-HNAYVOBHSA-N 1 3 350.459 2.128 20 0 FEADHO COc1cc(C)nc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)c1 ZINC000415127916 559206671 /nfs/dbraw/zinc/20/66/71/559206671.db2.gz IWRAOKKALOJRCE-UHFFFAOYSA-N 1 3 354.498 2.482 20 0 FEADHO C[C@H](Cc1ccccc1)CN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415134759 559207592 /nfs/dbraw/zinc/20/75/92/559207592.db2.gz DYBFQIGWNQVDOG-LSTHTHJFSA-N 1 3 356.514 2.085 20 0 FEADHO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc(OC[C@H]4CCCO4)cc3)C2)nn1 ZINC000415139555 559208043 /nfs/dbraw/zinc/20/80/43/559208043.db2.gz ZWASNHNRWUOJSG-UYAOXDASSA-N 1 3 371.485 2.132 20 0 FEADHO CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415422918 559234404 /nfs/dbraw/zinc/23/44/04/559234404.db2.gz DYNSJQAFKQDUTI-LPHOPBHVSA-N 1 3 374.529 2.347 20 0 FEADHO CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415422918 559234405 /nfs/dbraw/zinc/23/44/05/559234405.db2.gz DYNSJQAFKQDUTI-LPHOPBHVSA-N 1 3 374.529 2.347 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415887121 559281273 /nfs/dbraw/zinc/28/12/73/559281273.db2.gz WUKZKPFWWISMTF-LJQANCHMSA-N 1 3 360.502 2.297 20 0 FEADHO C[NH2+]Cc1ccccc1NC(=O)NCc1ccncc1OCCN(C)C ZINC000415905289 559282090 /nfs/dbraw/zinc/28/20/90/559282090.db2.gz UOZKXCMJZTXUNS-UHFFFAOYSA-N 1 3 357.458 2.063 20 0 FEADHO CCCN(CCN1CCN(CC)CC1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415905354 559282183 /nfs/dbraw/zinc/28/21/83/559282183.db2.gz ZRFPNEUYYJPKIG-UHFFFAOYSA-N 1 3 373.545 2.214 20 0 FEADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccco1 ZINC000416047775 559290637 /nfs/dbraw/zinc/29/06/37/559290637.db2.gz PNFNVCNSXOHESB-GVXVVHGQSA-N 1 3 350.385 2.288 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C1 ZINC000416048578 559290776 /nfs/dbraw/zinc/29/07/76/559290776.db2.gz QCWVEHCKCHOTOF-GDBMZVCRSA-N 1 3 372.435 2.430 20 0 FEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccco1 ZINC000416047773 559290799 /nfs/dbraw/zinc/29/07/99/559290799.db2.gz PNFNVCNSXOHESB-DMDPSCGWSA-N 1 3 350.385 2.288 20 0 FEADHO CN(C)[C@@H](CNC(=O)NCCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000416797773 559333166 /nfs/dbraw/zinc/33/31/66/559333166.db2.gz BEERVMUJAFJXCS-IBGZPJMESA-N 1 3 355.486 2.163 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000416843127 559334905 /nfs/dbraw/zinc/33/49/05/559334905.db2.gz OGJXSONMADPLGW-IBGZPJMESA-N 1 3 358.530 2.335 20 0 FEADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000416979424 559341700 /nfs/dbraw/zinc/34/17/00/559341700.db2.gz SJKNDCHRDQRXOF-PKOBYXMFSA-N 1 3 358.530 2.462 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000416984196 559342081 /nfs/dbraw/zinc/34/20/81/559342081.db2.gz XWIJDKDWJURHQB-HXUWFJFHSA-N 1 3 356.514 2.495 20 0 FEADHO CC[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000417007058 559343492 /nfs/dbraw/zinc/34/34/92/559343492.db2.gz GNPIDINTEXARMC-AZUAARDMSA-N 1 3 356.514 2.359 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417023912 559344515 /nfs/dbraw/zinc/34/45/15/559344515.db2.gz MGOMARVVPDRYEC-YSIASYRMSA-N 1 3 356.514 2.122 20 0 FEADHO CC(C)(CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)N1CCc2ccccc2C1 ZINC000417089075 559347240 /nfs/dbraw/zinc/34/72/40/559347240.db2.gz MYRPVQUCFFZWLA-OALUTQOASA-N 1 3 356.514 2.074 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417202765 559352708 /nfs/dbraw/zinc/35/27/08/559352708.db2.gz XUTJPJIKOMPTCW-HXUWFJFHSA-N 1 3 354.498 2.330 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417203422 559352778 /nfs/dbraw/zinc/35/27/78/559352778.db2.gz YPNXPVFJMRVELL-AQNXPRMDSA-N 1 3 358.530 2.190 20 0 FEADHO C[N@H+](Cc1ccccc1CNC(=O)NC[C@@H]1CNCCO1)C1CCCCC1 ZINC000417211679 559353224 /nfs/dbraw/zinc/35/32/24/559353224.db2.gz FBCOALZKIVDIBH-FQEVSTJZSA-N 1 3 374.529 2.239 20 0 FEADHO C[N@@H+](Cc1ccccc1CNC(=O)NC[C@@H]1CNCCO1)C1CCCCC1 ZINC000417211679 559353225 /nfs/dbraw/zinc/35/32/25/559353225.db2.gz FBCOALZKIVDIBH-FQEVSTJZSA-N 1 3 374.529 2.239 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)NCCC[NH2+]Cc2cccnc2)N(C)C)cc1 ZINC000417312160 559356963 /nfs/dbraw/zinc/35/69/63/559356963.db2.gz NDHIIGWLPHINIF-HXUWFJFHSA-N 1 3 369.513 2.472 20 0 FEADHO COC[C@@]1(CNC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CCC[NH2+]1 ZINC000417351048 559358677 /nfs/dbraw/zinc/35/86/77/559358677.db2.gz BQRCISZARCBOSJ-CTNGQTDRSA-N 1 3 374.529 2.200 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000417520364 559365844 /nfs/dbraw/zinc/36/58/44/559365844.db2.gz XEJGAJWXTSRTBC-UHOSZYNNSA-N 1 3 362.518 2.136 20 0 FEADHO C[NH2+]C[C@H]1CCCN1C(=O)N[C@H](CCN(C)CCOC)c1ccccc1 ZINC000417520252 559365940 /nfs/dbraw/zinc/36/59/40/559365940.db2.gz WZWUJVVADKWARJ-RTBURBONSA-N 1 3 362.518 2.089 20 0 FEADHO [NH3+][C@H]1CCC[C@H](CNC(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417593225 559368564 /nfs/dbraw/zinc/36/85/64/559368564.db2.gz KHQVIKWBBXCHJJ-OALUTQOASA-N 1 3 374.529 2.478 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000417670657 559371605 /nfs/dbraw/zinc/37/16/05/559371605.db2.gz OQHRLSMZRFDNNC-UZLBHIALSA-N 1 3 374.529 2.226 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2ccc3c(c2)CNC3)[C@H](C)C1 ZINC000417670657 559371606 /nfs/dbraw/zinc/37/16/06/559371606.db2.gz OQHRLSMZRFDNNC-UZLBHIALSA-N 1 3 374.529 2.226 20 0 FEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000417676919 559371851 /nfs/dbraw/zinc/37/18/51/559371851.db2.gz FGTKCAWDKREFNT-NZSAHSFTSA-N 1 3 356.514 2.463 20 0 FEADHO C[C@@H]1CN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C[C@H]1[NH3+] ZINC000417682372 559372130 /nfs/dbraw/zinc/37/21/30/559372130.db2.gz KZTRLJGAQXZOOX-LZQZEXGQSA-N 1 3 358.530 2.448 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417822148 559377808 /nfs/dbraw/zinc/37/78/08/559377808.db2.gz JIGXXFZYJARJNB-LSTHTHJFSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000417827094 559378075 /nfs/dbraw/zinc/37/80/75/559378075.db2.gz OZSXBCDWLNJEOW-IAGOWNOFSA-N 1 3 362.518 2.093 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CN1Cc1ccccc1 ZINC000417866683 559379997 /nfs/dbraw/zinc/37/99/97/559379997.db2.gz DWZAKDXNACTIJR-SLYNCCJLSA-N 1 3 356.514 2.435 20 0 FEADHO Cc1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)n(C)n1 ZINC000417873623 559380256 /nfs/dbraw/zinc/38/02/56/559380256.db2.gz KRWFQYWQXVKOLU-UHFFFAOYSA-N 1 3 355.530 2.416 20 0 FEADHO C[C@H]([NH3+])c1ccc(CNC(=O)NCc2ccnc(OCCN(C)C)c2)cc1 ZINC000417940989 559382862 /nfs/dbraw/zinc/38/28/62/559382862.db2.gz ABCLCWOOEPIEDN-HNNXBMFYSA-N 1 3 371.485 2.041 20 0 FEADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418069742 559388838 /nfs/dbraw/zinc/38/88/38/559388838.db2.gz FURSVKXFNLOMRI-MJGOQNOKSA-N 1 3 362.518 2.094 20 0 FEADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418077691 559389320 /nfs/dbraw/zinc/38/93/20/559389320.db2.gz UKKWURBWGOBOKV-OALUTQOASA-N 1 3 362.518 2.094 20 0 FEADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418100553 559390177 /nfs/dbraw/zinc/39/01/77/559390177.db2.gz DQGPDHNZDFGTDH-SLTAFYQDSA-N 1 3 364.456 2.464 20 0 FEADHO C[C@H](NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)[C@H](c1ccccc1)N(C)C ZINC000418160141 559392516 /nfs/dbraw/zinc/39/25/16/559392516.db2.gz BAADIZYUBZHHAG-QXAKKESOSA-N 1 3 374.529 2.075 20 0 FEADHO C[C@@H](NC(=O)N1CCC(OCCC[NH3+])CC1)[C@@H](c1ccccc1)N(C)C ZINC000418191594 559393534 /nfs/dbraw/zinc/39/35/34/559393534.db2.gz XLKUZZOGEGLJAA-APWZRJJASA-N 1 3 362.518 2.217 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)N(C)C)cc1 ZINC000418210245 559394092 /nfs/dbraw/zinc/39/40/92/559394092.db2.gz SMTUDLQYSOCDML-IPELMVKDSA-N 1 3 362.518 2.374 20 0 FEADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418212384 559394205 /nfs/dbraw/zinc/39/42/05/559394205.db2.gz UYNQECAAAHMHSP-MAUKXSAKSA-N 1 3 350.507 2.231 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)N(C)C)cc1 ZINC000418228595 559394763 /nfs/dbraw/zinc/39/47/63/559394763.db2.gz DZEAHAZKUBGBDK-XYPHTWIQSA-N 1 3 350.532 2.308 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)N(C)C)cc1 ZINC000418233731 559394916 /nfs/dbraw/zinc/39/49/16/559394916.db2.gz OYFWNCPETOKWFF-XYPHTWIQSA-N 1 3 350.532 2.390 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)N(C)C)cc1 ZINC000418235324 559394973 /nfs/dbraw/zinc/39/49/73/559394973.db2.gz SDCOBKLRGZOBSL-JQHSSLGASA-N 1 3 362.543 2.405 20 0 FEADHO CN(Cc1ccccc1)C1(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC1 ZINC000418241555 559395161 /nfs/dbraw/zinc/39/51/61/559395161.db2.gz KBQFOWUSWNOPAF-RBUKOAKNSA-N 1 3 356.514 2.292 20 0 FEADHO O=C(NC[C@H]1CCC[NH2+]C1)N1CCCN(CCCc2ccccc2)CC1 ZINC000418320000 559397371 /nfs/dbraw/zinc/39/73/71/559397371.db2.gz PPORSVYOTMTBFX-FQEVSTJZSA-N 1 3 358.530 2.336 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418325161 559397557 /nfs/dbraw/zinc/39/75/57/559397557.db2.gz WPKNSQVUFYXNPK-HNNXBMFYSA-N 1 3 354.445 2.038 20 0 FEADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418344549 559398280 /nfs/dbraw/zinc/39/82/80/559398280.db2.gz SEKWNLRCTHQGRK-SFHVURJKSA-N 1 3 359.518 2.329 20 0 FEADHO COCCN(CCN(C)C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418503155 559404070 /nfs/dbraw/zinc/40/40/70/559404070.db2.gz WYMXGDXGPLBSJE-LJQANCHMSA-N 1 3 358.486 2.059 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000418547158 559405611 /nfs/dbraw/zinc/40/56/11/559405611.db2.gz QYSZXNHLXATXSL-HXUWFJFHSA-N 1 3 362.518 2.158 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000418605256 559407556 /nfs/dbraw/zinc/40/75/56/559407556.db2.gz YMHHQPYQGGJEMJ-MDNKFWRPSA-N 1 3 356.514 2.148 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC[NH2+]1 ZINC000418612760 559407850 /nfs/dbraw/zinc/40/78/50/559407850.db2.gz VYGUJUSWSQTCOO-CZUORRHYSA-N 1 3 354.445 2.179 20 0 FEADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000418629506 559408546 /nfs/dbraw/zinc/40/85/46/559408546.db2.gz DHISPCGBHMUZCN-XLIONFOSSA-N 1 3 356.514 2.247 20 0 FEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000418629506 559408547 /nfs/dbraw/zinc/40/85/47/559408547.db2.gz DHISPCGBHMUZCN-XLIONFOSSA-N 1 3 356.514 2.247 20 0 FEADHO O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000418733471 559412990 /nfs/dbraw/zinc/41/29/90/559412990.db2.gz RMHYHHTVWHGLKO-RLLQIKCJSA-N 1 3 372.488 2.175 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000418733623 559412994 /nfs/dbraw/zinc/41/29/94/559412994.db2.gz VFTFJTOYTKQGJM-SJLPKXTDSA-N 1 3 362.518 2.286 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418797345 559416440 /nfs/dbraw/zinc/41/64/40/559416440.db2.gz UVMNESDGRZRLFY-ZFWWWQNUSA-N 1 3 354.445 2.165 20 0 FEADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000418802837 559416644 /nfs/dbraw/zinc/41/66/44/559416644.db2.gz VWZKPNBFGGHNBS-IXDOHACOSA-N 1 3 360.502 2.274 20 0 FEADHO Cc1c(Br)cccc1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420284259 559478717 /nfs/dbraw/zinc/47/87/17/559478717.db2.gz CRCCTAZXFOTXNI-AWEZNQCLSA-N 1 3 354.292 2.044 20 0 FEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000420313084 559479954 /nfs/dbraw/zinc/47/99/54/559479954.db2.gz ILZRHCKQJNAOGW-RAUXBKROSA-N 1 3 361.530 2.311 20 0 FEADHO O=C1[C@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCCN1Cc1ccc(F)cc1F ZINC000420325185 559480467 /nfs/dbraw/zinc/48/04/67/559480467.db2.gz BENSKTCLCVGISH-ZRGWGRIASA-N 1 3 363.452 2.387 20 0 FEADHO C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420327808 559480735 /nfs/dbraw/zinc/48/07/35/559480735.db2.gz ZFVTUMRIVIFYHZ-DLBZAZTESA-N 1 3 355.486 2.415 20 0 FEADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000420343743 559482084 /nfs/dbraw/zinc/48/20/84/559482084.db2.gz REAANSRWSUERMB-IRXDYDNUSA-N 1 3 358.486 2.273 20 0 FEADHO COc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000420346050 559482136 /nfs/dbraw/zinc/48/21/36/559482136.db2.gz XHJMEXBVCVKTLW-JYJNAYRXSA-N 1 3 361.486 2.352 20 0 FEADHO COCc1cccc(OCC2(CN3CC[C@H](N4CC[NH2+]CC4)C3)CCC2)c1 ZINC000420347421 559482273 /nfs/dbraw/zinc/48/22/73/559482273.db2.gz GPKNXPBABINWMH-FQEVSTJZSA-N 1 3 373.541 2.362 20 0 FEADHO c1ccc(-c2nc3ccccn3c2CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420352592 559482524 /nfs/dbraw/zinc/48/25/24/559482524.db2.gz ZHLKGTDDPANNDW-IBGZPJMESA-N 1 3 361.493 2.481 20 0 FEADHO CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420367876 559483511 /nfs/dbraw/zinc/48/35/11/559483511.db2.gz AFXMKGLNXVYKGF-OAHLLOKOSA-N 1 3 374.514 2.124 20 0 FEADHO CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420367876 559483512 /nfs/dbraw/zinc/48/35/12/559483512.db2.gz AFXMKGLNXVYKGF-OAHLLOKOSA-N 1 3 374.514 2.124 20 0 FEADHO NCc1cn([C@@H]2CCC[N@H+](CCCc3nc(-c4ccccc4)no3)C2)nn1 ZINC000420384755 559484458 /nfs/dbraw/zinc/48/44/58/559484458.db2.gz SBKTXGFFXRIGIC-QGZVFWFLSA-N 1 3 367.457 2.057 20 0 FEADHO NCc1cn([C@@H]2CCC[N@@H+](CCCc3nc(-c4ccccc4)no3)C2)nn1 ZINC000420384755 559484459 /nfs/dbraw/zinc/48/44/59/559484459.db2.gz SBKTXGFFXRIGIC-QGZVFWFLSA-N 1 3 367.457 2.057 20 0 FEADHO CCC(CC)NC(=O)[C@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420979799 559516517 /nfs/dbraw/zinc/51/65/17/559516517.db2.gz KPMXGAKBMJXUES-KRWDZBQOSA-N 1 3 352.567 2.172 20 0 FEADHO CCC(CC)NC(=O)[C@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420979799 559516518 /nfs/dbraw/zinc/51/65/18/559516518.db2.gz KPMXGAKBMJXUES-KRWDZBQOSA-N 1 3 352.567 2.172 20 0 FEADHO CCN1CCC([N@@H+]2CCCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000420978170 559516602 /nfs/dbraw/zinc/51/66/02/559516602.db2.gz JAYXQCUXOOGBOG-OAQYLSRUSA-N 1 3 370.541 2.284 20 0 FEADHO CCN1CCC([N@H+]2CCCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000420978170 559516603 /nfs/dbraw/zinc/51/66/03/559516603.db2.gz JAYXQCUXOOGBOG-OAQYLSRUSA-N 1 3 370.541 2.284 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3ccccc3C(=O)N(C)C)CC2)CC1 ZINC000421367660 559540300 /nfs/dbraw/zinc/54/03/00/559540300.db2.gz FNEMFPKUUBEVLL-UHFFFAOYSA-N 1 3 372.557 2.380 20 0 FEADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000421699135 559549706 /nfs/dbraw/zinc/54/97/06/559549706.db2.gz AJRCMZGJCXDYGT-HXUWFJFHSA-N 1 3 358.530 2.141 20 0 FEADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000421699135 559549707 /nfs/dbraw/zinc/54/97/07/559549707.db2.gz AJRCMZGJCXDYGT-HXUWFJFHSA-N 1 3 358.530 2.141 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000421699030 559549715 /nfs/dbraw/zinc/54/97/15/559549715.db2.gz ABYLVSZPCKZAND-HXUWFJFHSA-N 1 3 358.530 2.383 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N(C)C[C@H]3CCC[N@H+]3C)cc2)CC1 ZINC000421699030 559549716 /nfs/dbraw/zinc/54/97/16/559549716.db2.gz ABYLVSZPCKZAND-HXUWFJFHSA-N 1 3 358.530 2.383 20 0 FEADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@@H]1C[NH3+] ZINC000422625410 559598516 /nfs/dbraw/zinc/59/85/16/559598516.db2.gz BKDULWRKVVURRJ-IKGGRYGDSA-N 1 3 372.513 2.447 20 0 FEADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@@H]1CN ZINC000422625410 559598517 /nfs/dbraw/zinc/59/85/17/559598517.db2.gz BKDULWRKVVURRJ-IKGGRYGDSA-N 1 3 372.513 2.447 20 0 FEADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@@H]1CN ZINC000422625410 559598518 /nfs/dbraw/zinc/59/85/18/559598518.db2.gz BKDULWRKVVURRJ-IKGGRYGDSA-N 1 3 372.513 2.447 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CC[NH2+]CC[C@@H]2C)s1 ZINC000422710277 559603960 /nfs/dbraw/zinc/60/39/60/559603960.db2.gz FORNHIUKLJSAIQ-HOCLYGCPSA-N 1 3 373.588 2.299 20 0 FEADHO COc1cccc(N2CCC[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422771427 559606132 /nfs/dbraw/zinc/60/61/32/559606132.db2.gz YDHKCXXWVMDTQB-LLUDDFSJSA-N 1 3 359.514 2.411 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]3CN)CC2)cc1 ZINC000422824770 559607654 /nfs/dbraw/zinc/60/76/54/559607654.db2.gz OJZLZWOWQQXXQN-BEFAXECRSA-N 1 3 365.543 2.166 20 0 FEADHO C(N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1(CN2CCOCC2)CCCCC1 ZINC000422846232 559608279 /nfs/dbraw/zinc/60/82/79/559608279.db2.gz FCEJUIIOYOXALN-VAMGGRTRSA-N 1 3 365.562 2.016 20 0 FEADHO CCN1CCN([C@H](C)CN[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422866876 559609048 /nfs/dbraw/zinc/60/90/48/559609048.db2.gz RAZHFXNDZKVUBT-JRGCBEDISA-N 1 3 360.546 2.104 20 0 FEADHO CCOc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)CCOCC2)cc1 ZINC000422880144 559609630 /nfs/dbraw/zinc/60/96/30/559609630.db2.gz NIPHDVAUVGDPNG-LSTHTHJFSA-N 1 3 362.514 2.475 20 0 FEADHO COc1ccc(Br)c(C(=O)NCCCN[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422907521 559610704 /nfs/dbraw/zinc/61/07/04/559610704.db2.gz LLSUPHRKUPDAOG-LSDHHAIUSA-N 1 3 370.291 2.047 20 0 FEADHO C[C@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422909535 559610730 /nfs/dbraw/zinc/61/07/30/559610730.db2.gz GGQZGMVQAVYRMA-FXAWDEMLSA-N 1 3 358.530 2.132 20 0 FEADHO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000422910058 559610964 /nfs/dbraw/zinc/61/09/64/559610964.db2.gz POXRLKSXLFPXEG-NOSIKRSBSA-N 1 3 357.498 2.065 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994177 559614272 /nfs/dbraw/zinc/61/42/72/559614272.db2.gz UTTVRHZUMMUPKK-HPZZRFSDSA-N 1 3 360.420 2.198 20 0 FEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994177 559614273 /nfs/dbraw/zinc/61/42/73/559614273.db2.gz UTTVRHZUMMUPKK-HPZZRFSDSA-N 1 3 360.420 2.198 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422992161 559614301 /nfs/dbraw/zinc/61/43/01/559614301.db2.gz QSRRVSRWVRVYJD-CSFVBSKPSA-N 1 3 360.420 2.198 20 0 FEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422992161 559614302 /nfs/dbraw/zinc/61/43/02/559614302.db2.gz QSRRVSRWVRVYJD-CSFVBSKPSA-N 1 3 360.420 2.198 20 0 FEADHO CC(C)[NH+]1CCN(c2cccc(N[C@@H](C3CC3)[C@H]3CNCCO3)c2)CC1 ZINC000423023853 559615476 /nfs/dbraw/zinc/61/54/76/559615476.db2.gz IGZIQJVNACGVOA-RTWAWAEBSA-N 1 3 358.530 2.396 20 0 FEADHO FC(F)(F)COc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000423055063 559616849 /nfs/dbraw/zinc/61/68/49/559616849.db2.gz VPSOGHLSXZRSHC-BZUAXINKSA-N 1 3 373.419 2.312 20 0 FEADHO CN1CCC(Oc2ccc(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000423098158 559618773 /nfs/dbraw/zinc/61/87/73/559618773.db2.gz CHDDHRPBKSFREY-BHIFYINESA-N 1 3 373.541 2.406 20 0 FEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN1C(=O)c2ccccc2C1=O ZINC000423116167 559619876 /nfs/dbraw/zinc/61/98/76/559619876.db2.gz ZSEVKSBXKURNLA-HNAYVOBHSA-N 1 3 351.450 2.221 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000423138096 559620506 /nfs/dbraw/zinc/62/05/06/559620506.db2.gz SBAAXNLREISLAW-JLSDUUJJSA-N 1 3 351.466 2.221 20 0 FEADHO C[C@H](NC[C@H](CO)Cc1cc(F)cc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000423166069 559621674 /nfs/dbraw/zinc/62/16/74/559621674.db2.gz CDPLJUWFJGRZLW-IACUBPJLSA-N 1 3 359.283 2.327 20 0 FEADHO Brc1ccc2c(c1)OCCC[C@@H]2NCCN1CC[NH2+]CC1 ZINC000423209623 559622801 /nfs/dbraw/zinc/62/28/01/559622801.db2.gz VIPZBIHRPNQZPF-HNNXBMFYSA-N 1 3 354.292 2.158 20 0 FEADHO CN(C)CCOc1ccc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1 ZINC000423331108 559625672 /nfs/dbraw/zinc/62/56/72/559625672.db2.gz URKQLHWKYQFGGY-KRWDZBQOSA-N 1 3 357.458 2.000 20 0 FEADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423391384 559627602 /nfs/dbraw/zinc/62/76/02/559627602.db2.gz PIGLSDRXHFLCSF-LPHOPBHVSA-N 1 3 361.530 2.264 20 0 FEADHO CC(C)[C@@H](C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H](C)[NH3+] ZINC000423412510 559628315 /nfs/dbraw/zinc/62/83/15/559628315.db2.gz WXWCDSHOERDJAC-MAUKXSAKSA-N 1 3 360.502 2.070 20 0 FEADHO COC[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423446420 559629397 /nfs/dbraw/zinc/62/93/97/559629397.db2.gz CONAYSAZASWBDT-LMMKCTJWSA-N 1 3 365.905 2.264 20 0 FEADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(F)c(F)c(F)c1 ZINC000423460465 559629654 /nfs/dbraw/zinc/62/96/54/559629654.db2.gz SBNVIXKDMAIXBL-TZOQJCELSA-N 1 3 355.404 2.401 20 0 FEADHO N[C@@H](CC(F)F)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423849272 559642710 /nfs/dbraw/zinc/64/27/10/559642710.db2.gz OLBAGYQMNSDFMB-INIZCTEOSA-N 1 3 351.441 2.484 20 0 FEADHO N[C@@H](CC(F)F)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423849272 559642711 /nfs/dbraw/zinc/64/27/11/559642711.db2.gz OLBAGYQMNSDFMB-INIZCTEOSA-N 1 3 351.441 2.484 20 0 FEADHO C[C@@H]1CC2(CN1CC(=O)NCCCN(C)c1ccccc1)CC[NH2+]CC2 ZINC000424284700 559660705 /nfs/dbraw/zinc/66/07/05/559660705.db2.gz DQJVKZKFKHJIIX-GOSISDBHSA-N 1 3 358.530 2.093 20 0 FEADHO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)cc1OC ZINC000424328709 559661501 /nfs/dbraw/zinc/66/15/01/559661501.db2.gz FQMGNMJVYVVGLV-ZACQAIPSSA-N 1 3 361.486 2.227 20 0 FEADHO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000424335187 559661596 /nfs/dbraw/zinc/66/15/96/559661596.db2.gz OWHMSUZDPLFQRM-PWIZWCRZSA-N 1 3 358.530 2.015 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)c1 ZINC000424425931 559664086 /nfs/dbraw/zinc/66/40/86/559664086.db2.gz KTTYPTFDGVTJML-UHFFFAOYSA-N 1 3 373.545 2.476 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])N2CCCC2)cc1 ZINC000424452617 559665662 /nfs/dbraw/zinc/66/56/62/559665662.db2.gz IGUJUHOONKBPCP-GUDVDZBRSA-N 1 3 360.502 2.401 20 0 FEADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424471241 559666617 /nfs/dbraw/zinc/66/66/17/559666617.db2.gz SAOKTPOUSDRNNC-FDKIHUSFSA-N 1 3 368.525 2.290 20 0 FEADHO COC(=O)[C@@H](CCN(C)CC[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000425423997 559701496 /nfs/dbraw/zinc/70/14/96/559701496.db2.gz RHOJVOCKLBMHGG-FQEVSTJZSA-N 1 3 361.530 2.291 20 0 FEADHO COC(=O)[C@@H](CCN(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000425423997 559701497 /nfs/dbraw/zinc/70/14/97/559701497.db2.gz RHOJVOCKLBMHGG-FQEVSTJZSA-N 1 3 361.530 2.291 20 0 FEADHO C[C@@H](CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[N@H+](C)C1CC1 ZINC000425462172 559703390 /nfs/dbraw/zinc/70/33/90/559703390.db2.gz DKCSFAMNIYBWND-XKGZKEIXSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@@H](CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[N@@H+](C)C1CC1 ZINC000425462172 559703391 /nfs/dbraw/zinc/70/33/91/559703391.db2.gz DKCSFAMNIYBWND-XKGZKEIXSA-N 1 3 356.514 2.385 20 0 FEADHO CN1C[C@@H]2CCCN(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)[C@@H]2C1 ZINC000425658039 559713393 /nfs/dbraw/zinc/71/33/93/559713393.db2.gz VJGBHNDXFDCKET-PZJWPPBQSA-N 1 3 370.541 2.429 20 0 FEADHO Cc1ccc(NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)c(OCC[NH+](C)C)c1 ZINC000425656276 559713475 /nfs/dbraw/zinc/71/34/75/559713475.db2.gz RWNDEUZKHBCFIU-FUHWJXTLSA-N 1 3 360.502 2.493 20 0 FEADHO CCc1nc(C)c(CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)o1 ZINC000426026931 559727852 /nfs/dbraw/zinc/72/78/52/559727852.db2.gz DQJOTSBRGRWEBK-INIZCTEOSA-N 1 3 365.522 2.103 20 0 FEADHO CCc1nc(C)c(CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)o1 ZINC000426026931 559727853 /nfs/dbraw/zinc/72/78/53/559727853.db2.gz DQJOTSBRGRWEBK-INIZCTEOSA-N 1 3 365.522 2.103 20 0 FEADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCC[N@@H+]1C ZINC000428962243 559786760 /nfs/dbraw/zinc/78/67/60/559786760.db2.gz BKZWMGIZGWOSBB-MISYRCLQSA-N 1 3 374.529 2.059 20 0 FEADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCC[N@H+]1C ZINC000428962243 559786761 /nfs/dbraw/zinc/78/67/61/559786761.db2.gz BKZWMGIZGWOSBB-MISYRCLQSA-N 1 3 374.529 2.059 20 0 FEADHO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)C1(CC)CC ZINC000429332618 559796241 /nfs/dbraw/zinc/79/62/41/559796241.db2.gz HRACXKYUUSJHOF-QZTJIDSGSA-N 1 3 351.535 2.303 20 0 FEADHO C[C@H]([NH3+])[C@@H]1CCCN([C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000430572321 559823087 /nfs/dbraw/zinc/82/30/87/559823087.db2.gz FPEGJVTYIYXEOQ-CMKODMSKSA-N 1 3 372.557 2.215 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000430949162 559831330 /nfs/dbraw/zinc/83/13/30/559831330.db2.gz MTSGBKACGNYWNG-IBGZPJMESA-N 1 3 372.557 2.089 20 0 FEADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)NCCc1ccc(OC(F)F)cc1 ZINC000431012522 559832308 /nfs/dbraw/zinc/83/23/08/559832308.db2.gz FTKZUACISLQIRG-UHFFFAOYSA-N 1 3 367.440 2.022 20 0 FEADHO CN1CCN(Cc2ccc(CNC(=O)CC[C@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000431759116 559845399 /nfs/dbraw/zinc/84/53/99/559845399.db2.gz HXJUDLXOPCQDKM-OAQYLSRUSA-N 1 3 372.557 2.315 20 0 FEADHO CN1CCN(Cc2ccc(CNC(=O)CC[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000431759116 559845400 /nfs/dbraw/zinc/84/54/00/559845400.db2.gz HXJUDLXOPCQDKM-OAQYLSRUSA-N 1 3 372.557 2.315 20 0 FEADHO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H](C)N3CCCCCC3)CC2)CC1 ZINC000433570533 559884351 /nfs/dbraw/zinc/88/43/51/559884351.db2.gz MBBUSFUCCHJPQY-LJQANCHMSA-N 1 3 364.578 2.268 20 0 FEADHO COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000433928312 559890502 /nfs/dbraw/zinc/89/05/02/559890502.db2.gz YOFGGBKHKOVDCY-QGZVFWFLSA-N 1 3 366.550 2.192 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433938168 559890791 /nfs/dbraw/zinc/89/07/91/559890791.db2.gz CJCRDKCSDLBINZ-RTBURBONSA-N 1 3 366.550 2.146 20 0 FEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000443065351 560068994 /nfs/dbraw/zinc/06/89/94/560068994.db2.gz ZQNNZPXODKVTMW-AWEZNQCLSA-N 1 3 359.392 2.262 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN(C)C)c2)C[C@H]1C ZINC000443372787 560082273 /nfs/dbraw/zinc/08/22/73/560082273.db2.gz MNVGNMLKWHONJC-CRAIPNDOSA-N 1 3 360.502 2.018 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN(C)C)c2)C[C@H]1C ZINC000443372787 560082274 /nfs/dbraw/zinc/08/22/74/560082274.db2.gz MNVGNMLKWHONJC-CRAIPNDOSA-N 1 3 360.502 2.018 20 0 FEADHO C[C@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)N1CCCC[C@@H]1C ZINC000445545946 560132745 /nfs/dbraw/zinc/13/27/45/560132745.db2.gz BMFUQYAOEWHHMG-DLBZAZTESA-N 1 3 374.529 2.108 20 0 FEADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCOCCN(C)C ZINC000447599177 560165138 /nfs/dbraw/zinc/16/51/38/560165138.db2.gz XDORMQIZENYWFX-ZDUSSCGKSA-N 1 3 372.307 2.334 20 0 FEADHO CCn1nnc(C)c1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000449087110 560215388 /nfs/dbraw/zinc/21/53/88/560215388.db2.gz DTCKTGFSAJWCSV-UHFFFAOYSA-N 1 3 370.545 2.294 20 0 FEADHO C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000450965124 560280172 /nfs/dbraw/zinc/28/01/72/560280172.db2.gz USFDCMXYELMDGX-LPHOPBHVSA-N 1 3 351.535 2.087 20 0 FEADHO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000450965124 560280173 /nfs/dbraw/zinc/28/01/73/560280173.db2.gz USFDCMXYELMDGX-LPHOPBHVSA-N 1 3 351.535 2.087 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)[C@H](C)C(C)(C)O)CC1 ZINC000451363000 560302868 /nfs/dbraw/zinc/30/28/68/560302868.db2.gz RJGQPTWHYXWKOZ-QGZVFWFLSA-N 1 3 361.530 2.167 20 0 FEADHO CC(=O)N1CCCN(C[C@H]2CCC[N@@H+](CC[C@H]3CCCCN3C)C2)CC1 ZINC000451526131 560312260 /nfs/dbraw/zinc/31/22/60/560312260.db2.gz BPCIKRVGGGAOQB-LEWJYISDSA-N 1 3 364.578 2.127 20 0 FEADHO CC(=O)N1CCCN(C[C@H]2CCC[N@H+](CC[C@H]3CCCCN3C)C2)CC1 ZINC000451526131 560312261 /nfs/dbraw/zinc/31/22/61/560312261.db2.gz BPCIKRVGGGAOQB-LEWJYISDSA-N 1 3 364.578 2.127 20 0 FEADHO CN1CCC(O)(C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453138748 560383729 /nfs/dbraw/zinc/38/37/29/560383729.db2.gz YRAXUTGIDJAUDH-ROUUACIJSA-N 1 3 352.906 2.476 20 0 FEADHO C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000453588400 560389841 /nfs/dbraw/zinc/38/98/41/560389841.db2.gz DGIGEMQALDDNQN-BEFAXECRSA-N 1 3 372.513 2.022 20 0 FEADHO CC(C)[C@@H](CNC(=O)Nc1ccnn1CCN(C)C)[NH+]1CCC(C)CC1 ZINC000455667834 560491174 /nfs/dbraw/zinc/49/11/74/560491174.db2.gz KMOXDEYKJYIIQQ-QGZVFWFLSA-N 1 3 364.538 2.323 20 0 FEADHO C[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+](C2CC2)C1 ZINC000457487793 560570182 /nfs/dbraw/zinc/57/01/82/560570182.db2.gz JEEJHTQKZAXMEH-IEBWSBKVSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+](C2CC2)C1 ZINC000457487793 560570184 /nfs/dbraw/zinc/57/01/84/560570184.db2.gz JEEJHTQKZAXMEH-IEBWSBKVSA-N 1 3 356.514 2.387 20 0 FEADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000457716377 560583571 /nfs/dbraw/zinc/58/35/71/560583571.db2.gz SJVKQKCJIKLANG-SFHVURJKSA-N 1 3 358.530 2.466 20 0 FEADHO C[N@H+]1CCC[C@@H](CCNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000457716377 560583572 /nfs/dbraw/zinc/58/35/72/560583572.db2.gz SJVKQKCJIKLANG-SFHVURJKSA-N 1 3 358.530 2.466 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000457784608 560587435 /nfs/dbraw/zinc/58/74/35/560587435.db2.gz GUOSXWGLSRTJEH-OAHLLOKOSA-N 1 3 350.532 2.306 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000457784608 560587436 /nfs/dbraw/zinc/58/74/36/560587436.db2.gz GUOSXWGLSRTJEH-OAHLLOKOSA-N 1 3 350.532 2.306 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000457830491 560589692 /nfs/dbraw/zinc/58/96/92/560589692.db2.gz FSWMWWRBLYUJSY-DLBZAZTESA-N 1 3 350.532 2.448 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000457830491 560589694 /nfs/dbraw/zinc/58/96/94/560589694.db2.gz FSWMWWRBLYUJSY-DLBZAZTESA-N 1 3 350.532 2.448 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458119188 560604029 /nfs/dbraw/zinc/60/40/29/560604029.db2.gz WEXAJYYYKRRYAB-QGZVFWFLSA-N 1 3 362.518 2.158 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458119188 560604030 /nfs/dbraw/zinc/60/40/30/560604030.db2.gz WEXAJYYYKRRYAB-QGZVFWFLSA-N 1 3 362.518 2.158 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H](C4CC4)[C@@H]3C3CC3)CC2)CC1 ZINC000458142975 560605110 /nfs/dbraw/zinc/60/51/10/560605110.db2.gz ZUAMUOUMJASEJC-UXHICEINSA-N 1 3 360.546 2.375 20 0 FEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000458385404 560619316 /nfs/dbraw/zinc/61/93/16/560619316.db2.gz VHVHAIWDENBEOM-ROUUACIJSA-N 1 3 368.566 2.033 20 0 FEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000458385404 560619318 /nfs/dbraw/zinc/61/93/18/560619318.db2.gz VHVHAIWDENBEOM-ROUUACIJSA-N 1 3 368.566 2.033 20 0 FEADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000459285660 560677608 /nfs/dbraw/zinc/67/76/08/560677608.db2.gz FDHQQNHJWHYWEO-AZUAARDMSA-N 1 3 373.545 2.277 20 0 FEADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459285660 560677609 /nfs/dbraw/zinc/67/76/09/560677609.db2.gz FDHQQNHJWHYWEO-AZUAARDMSA-N 1 3 373.545 2.277 20 0 FEADHO CCO[C@@H]1C[C@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000459441504 560686465 /nfs/dbraw/zinc/68/64/65/560686465.db2.gz WEQUSBBIZLWRNF-ZSYWTGECSA-N 1 3 350.528 2.122 20 0 FEADHO CCO[C@@H]1C[C@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000459441504 560686466 /nfs/dbraw/zinc/68/64/66/560686466.db2.gz WEQUSBBIZLWRNF-ZSYWTGECSA-N 1 3 350.528 2.122 20 0 FEADHO COc1ccc(C[C@H](CO)C[NH2+]C2CCN(c3ccncc3)CC2)cc1O ZINC000459553985 560693850 /nfs/dbraw/zinc/69/38/50/560693850.db2.gz BSMOLELUJITVGG-KRWDZBQOSA-N 1 3 371.481 2.205 20 0 FEADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460343876 560742183 /nfs/dbraw/zinc/74/21/83/560742183.db2.gz SSGNOPIGDUXCRO-SLFFLAALSA-N 1 3 368.525 2.387 20 0 FEADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460343876 560742184 /nfs/dbraw/zinc/74/21/84/560742184.db2.gz SSGNOPIGDUXCRO-SLFFLAALSA-N 1 3 368.525 2.387 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCNC2CC[NH+](CC)CC2)s1 ZINC000462035481 560793590 /nfs/dbraw/zinc/79/35/90/560793590.db2.gz WJFFUPODFHPQGX-UHFFFAOYSA-N 1 3 373.588 2.395 20 0 FEADHO COCCN1CCC([NH2+]CC2(N3CCC(OC)CC3)CCCC2)CC1 ZINC000462109631 560797753 /nfs/dbraw/zinc/79/77/53/560797753.db2.gz FJUUYDCBDRJEOB-UHFFFAOYSA-N 1 3 353.551 2.110 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cn(C)nc1C1CC1 ZINC000463828034 560825894 /nfs/dbraw/zinc/82/58/94/560825894.db2.gz ZMVMVAYNDSPPID-INIZCTEOSA-N 1 3 362.522 2.177 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cn(C)nc1C1CC1 ZINC000463828034 560825895 /nfs/dbraw/zinc/82/58/95/560825895.db2.gz ZMVMVAYNDSPPID-INIZCTEOSA-N 1 3 362.522 2.177 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000465603389 560869419 /nfs/dbraw/zinc/86/94/19/560869419.db2.gz PUUWUIWKCMFMIK-RTBURBONSA-N 1 3 368.566 2.251 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000465603389 560869420 /nfs/dbraw/zinc/86/94/20/560869420.db2.gz PUUWUIWKCMFMIK-RTBURBONSA-N 1 3 368.566 2.251 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000466011072 560877972 /nfs/dbraw/zinc/87/79/72/560877972.db2.gz BQBGPTRCOCVOER-SJORKVTESA-N 1 3 356.555 2.105 20 0 FEADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000466218064 560882142 /nfs/dbraw/zinc/88/21/42/560882142.db2.gz PMGWDRURSMQFJN-POAQFYNOSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000466218064 560882143 /nfs/dbraw/zinc/88/21/43/560882143.db2.gz PMGWDRURSMQFJN-POAQFYNOSA-N 1 3 356.514 2.433 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC(C[NH+](C)C)CC3)cc2)CC1 ZINC000469504971 560956547 /nfs/dbraw/zinc/95/65/47/560956547.db2.gz NGWPIMDTPJRJHZ-UHFFFAOYSA-N 1 3 358.530 2.242 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000469976578 560970411 /nfs/dbraw/zinc/97/04/11/560970411.db2.gz WNLDNFJGDFOGNM-NRFANRHFSA-N 1 3 370.541 2.202 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000469976578 560970412 /nfs/dbraw/zinc/97/04/12/560970412.db2.gz WNLDNFJGDFOGNM-NRFANRHFSA-N 1 3 370.541 2.202 20 0 FEADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cnc(-c3ccsc3)s2)C1 ZINC000470008468 560971895 /nfs/dbraw/zinc/97/18/95/560971895.db2.gz KWGHTBUNGVJOGX-LBPRGKRZSA-N 1 3 350.513 2.159 20 0 FEADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000471903827 561014031 /nfs/dbraw/zinc/01/40/31/561014031.db2.gz XLHGZCWHYHDBRA-HLIUYOAVSA-N 1 3 374.451 2.328 20 0 FEADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000471903827 561014032 /nfs/dbraw/zinc/01/40/32/561014032.db2.gz XLHGZCWHYHDBRA-HLIUYOAVSA-N 1 3 374.451 2.328 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1C1CCOCC1)c1ccccc1 ZINC000475147720 561091571 /nfs/dbraw/zinc/09/15/71/561091571.db2.gz HISMMQVGYRJEQI-WOJBJXKFSA-N 1 3 359.514 2.297 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1C1CCOCC1)c1ccccc1 ZINC000475147720 561091572 /nfs/dbraw/zinc/09/15/72/561091572.db2.gz HISMMQVGYRJEQI-WOJBJXKFSA-N 1 3 359.514 2.297 20 0 FEADHO CCN(C(=O)N[C@@H]1CCN(CCOC)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475185849 561092552 /nfs/dbraw/zinc/09/25/52/561092552.db2.gz YSXDWMPNTFNLIM-UXHICEINSA-N 1 3 374.529 2.013 20 0 FEADHO CCN(C(=O)N[C@@H]1CCN(CCOC)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475185849 561092553 /nfs/dbraw/zinc/09/25/53/561092553.db2.gz YSXDWMPNTFNLIM-UXHICEINSA-N 1 3 374.529 2.013 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1c2ccccc2nn1C ZINC000475324372 561095085 /nfs/dbraw/zinc/09/50/85/561095085.db2.gz LRFNWGLLAWFGAT-INIZCTEOSA-N 1 3 357.502 2.061 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1c2ccccc2nn1C ZINC000475324372 561095086 /nfs/dbraw/zinc/09/50/86/561095086.db2.gz LRFNWGLLAWFGAT-INIZCTEOSA-N 1 3 357.502 2.061 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000476055695 561110403 /nfs/dbraw/zinc/11/04/03/561110403.db2.gz MWZHYYMMPIFTIM-HDICACEKSA-N 1 3 368.566 2.438 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000476055695 561110404 /nfs/dbraw/zinc/11/04/04/561110404.db2.gz MWZHYYMMPIFTIM-HDICACEKSA-N 1 3 368.566 2.438 20 0 FEADHO O=C(NCCN1CCCCC1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000476413710 561118850 /nfs/dbraw/zinc/11/88/50/561118850.db2.gz WLLDLNOFLKDAIJ-UHFFFAOYSA-N 1 3 374.529 2.446 20 0 FEADHO CC(C)[C@H]1CNCCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000529318324 562368941 /nfs/dbraw/zinc/36/89/41/562368941.db2.gz SIKAXUJZXCOKMU-QFBILLFUSA-N 1 3 359.518 2.246 20 0 FEADHO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000530659064 562419444 /nfs/dbraw/zinc/41/94/44/562419444.db2.gz PBIMCKJHWNCQPU-QFIPXVFZSA-N 1 3 371.525 2.147 20 0 FEADHO O=C(NCCCCC[NH+]1CCCCC1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000530818700 562425067 /nfs/dbraw/zinc/42/50/67/562425067.db2.gz BZXJJAWAMORKRP-JOCHJYFZSA-N 1 3 373.541 2.396 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000531196113 562437854 /nfs/dbraw/zinc/43/78/54/562437854.db2.gz AFVLLLPUSUWMAS-UHFFFAOYSA-N 1 3 371.485 2.179 20 0 FEADHO CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)CC1 ZINC000531531503 562448860 /nfs/dbraw/zinc/44/88/60/562448860.db2.gz OJGJATDMFPKVLH-YFVAEKQCSA-N 1 3 370.541 2.318 20 0 FEADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000531976842 562462971 /nfs/dbraw/zinc/46/29/71/562462971.db2.gz YNJAGBIKVFXEPL-CQSZACIVSA-N 1 3 353.894 2.412 20 0 FEADHO CN(c1ccccc1CNCCNc1cnccn1)C1CC[NH+](C)CC1 ZINC000532374402 562475604 /nfs/dbraw/zinc/47/56/04/562475604.db2.gz QNHAQLXJDMNWOD-UHFFFAOYSA-N 1 3 354.502 2.209 20 0 FEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NCCNc1ccncc1 ZINC000534524439 562535956 /nfs/dbraw/zinc/53/59/56/562535956.db2.gz CYPQATHOKYPPNF-UHFFFAOYSA-N 1 3 355.486 2.257 20 0 FEADHO CC(C)N(C)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000535851484 562569776 /nfs/dbraw/zinc/56/97/76/562569776.db2.gz CAUMCSMPEKWURS-RTBURBONSA-N 1 3 352.567 2.122 20 0 FEADHO CC(C)N(C)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000535851484 562569777 /nfs/dbraw/zinc/56/97/77/562569777.db2.gz CAUMCSMPEKWURS-RTBURBONSA-N 1 3 352.567 2.122 20 0 FEADHO Cc1[nH+]c2ccccc2c(NCCCCN2CCN(CCO)CC2)c1C ZINC000541280012 562607927 /nfs/dbraw/zinc/60/79/27/562607927.db2.gz JHODOJNWDOFXGK-UHFFFAOYSA-N 1 3 356.514 2.076 20 0 FEADHO COC(=O)c1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)s1 ZINC000603038293 568054370 /nfs/dbraw/zinc/05/43/70/568054370.db2.gz NNYLRHVRSBDGNI-LBPRGKRZSA-N 1 3 370.519 2.237 20 0 FEADHO COC(=O)c1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)s1 ZINC000603038293 568054371 /nfs/dbraw/zinc/05/43/71/568054371.db2.gz NNYLRHVRSBDGNI-LBPRGKRZSA-N 1 3 370.519 2.237 20 0 FEADHO C[NH+](C)CCOCCNCc1ccc(I)s1 ZINC000603437135 568100811 /nfs/dbraw/zinc/10/08/11/568100811.db2.gz IPCOIOXSSNBWMR-UHFFFAOYSA-N 1 3 354.257 2.021 20 0 FEADHO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000563093170 568117688 /nfs/dbraw/zinc/11/76/88/568117688.db2.gz XUHCUPVSSMCMDJ-PMACEKPBSA-N 1 3 350.466 2.141 20 0 FEADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637001089 568297995 /nfs/dbraw/zinc/29/79/95/568297995.db2.gz GNGQGQDVRHKJFJ-SFHVURJKSA-N 1 3 359.518 2.472 20 0 FEADHO CCC1([NH+](C)C)CCN(C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000637088006 568349438 /nfs/dbraw/zinc/34/94/38/568349438.db2.gz WCLRKPANGBOLTQ-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO COCC[N@H+](C)CCCNCc1cccc(I)c1 ZINC000556403928 674400974 /nfs/dbraw/zinc/40/09/74/674400974.db2.gz HJAHHJYYDNQEAY-UHFFFAOYSA-N 1 3 362.255 2.349 20 0 FEADHO COCC[N@@H+](C)CCCNCc1cccc(I)c1 ZINC000556403928 674400975 /nfs/dbraw/zinc/40/09/75/674400975.db2.gz HJAHHJYYDNQEAY-UHFFFAOYSA-N 1 3 362.255 2.349 20 0 FEADHO CCN1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)[C@H](C)C1 ZINC000556925654 674428210 /nfs/dbraw/zinc/42/82/10/674428210.db2.gz XYMIMEIIZABIIG-ZBFHGGJFSA-N 1 3 373.950 2.247 20 0 FEADHO COc1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc1-c1nnn[n-]1 ZINC000821813564 599407669 /nfs/dbraw/zinc/40/76/69/599407669.db2.gz IZMCDIVZANSMRV-UHFFFAOYSA-N 1 3 358.490 2.477 20 0 FEADHO COc1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc1-c1nn[n-]n1 ZINC000821813564 599407671 /nfs/dbraw/zinc/40/76/71/599407671.db2.gz IZMCDIVZANSMRV-UHFFFAOYSA-N 1 3 358.490 2.477 20 0 FEADHO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810614409 674553261 /nfs/dbraw/zinc/55/32/61/674553261.db2.gz DCYXAAFTLTVKNH-LJQANCHMSA-N 1 3 350.482 2.184 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NCC2CC[NH2+]CC2)N(C)C)cc1 ZINC000561219274 674647898 /nfs/dbraw/zinc/64/78/98/674647898.db2.gz SWMRCCKJWKCJKY-KRWDZBQOSA-N 1 3 350.532 2.310 20 0 FEADHO Cn1c2ccc(CN3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)cc2sc1=O ZINC000562751426 674801864 /nfs/dbraw/zinc/80/18/64/674801864.db2.gz WSTMPBOKUNIFDA-NVXWUHKLSA-N 1 3 361.511 2.318 20 0 FEADHO Cc1ccc(OC[C@@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)c(C)c1 ZINC000570325192 670696475 /nfs/dbraw/zinc/69/64/75/670696475.db2.gz PJQVASAHQQFIGE-OALUTQOASA-N 1 3 350.503 2.134 20 0 FEADHO Cc1ccc(OC[C@@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)c(C)c1 ZINC000570325192 670696476 /nfs/dbraw/zinc/69/64/76/670696476.db2.gz PJQVASAHQQFIGE-OALUTQOASA-N 1 3 350.503 2.134 20 0 FEADHO O[C@H](CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)Cc1cccc(Cl)c1 ZINC000574684192 671267908 /nfs/dbraw/zinc/26/79/08/671267908.db2.gz HQCHTKRKJSYDOD-FHWLQOOXSA-N 1 3 352.906 2.211 20 0 FEADHO O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000576873107 671400906 /nfs/dbraw/zinc/40/09/06/671400906.db2.gz PTLYCVZBLAOCRK-ZBFHGGJFSA-N 1 3 355.404 2.151 20 0 FEADHO Cn1c2ccc(CN3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)cc2sc1=O ZINC000578119961 671641807 /nfs/dbraw/zinc/64/18/07/671641807.db2.gz CHNMZBRCVPQWEE-CRAIPNDOSA-N 1 3 361.511 2.318 20 0 FEADHO CCC[C@H](CCO)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000579974983 671774508 /nfs/dbraw/zinc/77/45/08/671774508.db2.gz DRJNPSUYVPGTBG-QGZVFWFLSA-N 1 3 353.551 2.098 20 0 FEADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593315820 672908193 /nfs/dbraw/zinc/90/81/93/672908193.db2.gz LXLQRQWYKSMKIG-KSSFIOAISA-N 1 3 350.507 2.401 20 0 FEADHO C[C@@H]1C[C@@H](NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000721855628 673084137 /nfs/dbraw/zinc/08/41/37/673084137.db2.gz SJRZDJVPFFDOGF-WBVHZDCISA-N 1 3 354.539 2.048 20 0 FEADHO C[C@@H]1C[C@@H](NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000721855628 673084142 /nfs/dbraw/zinc/08/41/42/673084142.db2.gz SJRZDJVPFFDOGF-WBVHZDCISA-N 1 3 354.539 2.048 20 0 FEADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000414924801 673182875 /nfs/dbraw/zinc/18/28/75/673182875.db2.gz KXHCQXBYASVAJK-DLBZAZTESA-N 1 3 367.921 2.411 20 0 FEADHO COC(=O)CCCN1CCC(N(CCC[NH3+])c2cccc(F)c2)CC1 ZINC000463240023 673303446 /nfs/dbraw/zinc/30/34/46/673303446.db2.gz HMBWCRMHTPHAMJ-UHFFFAOYSA-N 1 3 351.466 2.399 20 0 FEADHO CC[N@H+](CCC1CCN(CCN2CCCS2(=O)=O)CC1)CC(C)C ZINC000539098277 673473050 /nfs/dbraw/zinc/47/30/50/673473050.db2.gz CJQCJGAWFIHIRC-UHFFFAOYSA-N 1 3 359.580 2.102 20 0 FEADHO CC[N@@H+](CCC1CCN(CCN2CCCS2(=O)=O)CC1)CC(C)C ZINC000539098277 673473055 /nfs/dbraw/zinc/47/30/55/673473055.db2.gz CJQCJGAWFIHIRC-UHFFFAOYSA-N 1 3 359.580 2.102 20 0 FEADHO C[C@@H](NC[C@H]1CCCCS1(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000544386389 673709296 /nfs/dbraw/zinc/70/92/96/673709296.db2.gz VCATYZCVVCYWTI-CRAIPNDOSA-N 1 3 354.516 2.245 20 0 FEADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545868559 673779134 /nfs/dbraw/zinc/77/91/34/673779134.db2.gz SBOPHIQBQYAGLZ-WBMJQRKESA-N 1 3 359.392 2.079 20 0 FEADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000545868559 673779135 /nfs/dbraw/zinc/77/91/35/673779135.db2.gz SBOPHIQBQYAGLZ-WBMJQRKESA-N 1 3 359.392 2.079 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(Br)n1 ZINC000822630034 675497037 /nfs/dbraw/zinc/49/70/37/675497037.db2.gz PQZXZXRLXCOLFU-LBPRGKRZSA-N 1 3 372.311 2.238 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(Br)n1 ZINC000822630034 675497038 /nfs/dbraw/zinc/49/70/38/675497038.db2.gz PQZXZXRLXCOLFU-LBPRGKRZSA-N 1 3 372.311 2.238 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCC[C@H](C)O3)CC2)CC1 ZINC000618589135 676345336 /nfs/dbraw/zinc/34/53/36/676345336.db2.gz NWAMMFUTWWDSGY-QFBILLFUSA-N 1 3 351.535 2.257 20 0 FEADHO CN1CCC([N@@H+]2CC[C@H](NCc3ncc(Br)cc3F)C2)CC1 ZINC000623416221 676534167 /nfs/dbraw/zinc/53/41/67/676534167.db2.gz NVZCPUNXXQEAGO-ZDUSSCGKSA-N 1 3 371.298 2.241 20 0 FEADHO CN1CC[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)CC1(C)C ZINC000623493235 676537561 /nfs/dbraw/zinc/53/75/61/676537561.db2.gz ZGCLESIFOINCMA-MRXNPFEDSA-N 1 3 351.516 2.189 20 0 FEADHO C[C@H](NCCOCCC[NH3+])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000629535317 676858517 /nfs/dbraw/zinc/85/85/17/676858517.db2.gz DGXUOOCBNRUWFW-HNNXBMFYSA-N 1 3 354.516 2.419 20 0 FEADHO O[C@@H](C[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)CN1CCCC1 ZINC000629561251 676859396 /nfs/dbraw/zinc/85/93/96/676859396.db2.gz HELYRAZPIIPPTP-ROUUACIJSA-N 1 3 369.912 2.490 20 0 FEADHO O[C@H](C[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)CN1CCCC1 ZINC000629565536 676860030 /nfs/dbraw/zinc/86/00/30/676860030.db2.gz KHCWGPNGWCIYBQ-NVXWUHKLSA-N 1 3 357.420 2.330 20 0 FEADHO C[NH+](C)CCOc1ccc(CNCc2cccn(C(F)F)c2=O)cc1 ZINC000638380562 677144269 /nfs/dbraw/zinc/14/42/69/677144269.db2.gz XOXQQCXEBBWLRH-UHFFFAOYSA-N 1 3 351.397 2.474 20 0 FEADHO C[C@H]1CCCC[C@H]1OCCNC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639758013 677165298 /nfs/dbraw/zinc/16/52/98/677165298.db2.gz OJOFJZXBDBIJNY-ZWKOTPCHSA-N 1 3 351.535 2.116 20 0 FEADHO CC1CC[NH+](CCCCNCc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647171520 677296778 /nfs/dbraw/zinc/29/67/78/677296778.db2.gz MOMUZYFPUIUINO-UHFFFAOYSA-N 1 3 357.495 2.075 20 0 FEADHO O=S(=O)(NC1CCCC1)[C@@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000647990228 677310067 /nfs/dbraw/zinc/31/00/67/677310067.db2.gz KBSLJJSGTVQWNY-GOSISDBHSA-N 1 3 357.564 2.093 20 0 FEADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cn(-c3ccccc3Br)nn2)C1 ZINC000655825096 677667427 /nfs/dbraw/zinc/66/74/27/677667427.db2.gz WPCUNQQNQSSHIT-XBXGTLAGSA-N 1 3 364.291 2.460 20 0 FEADHO CN(C)C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655928834 677693354 /nfs/dbraw/zinc/69/33/54/677693354.db2.gz QKBBWYGOIALJLO-RYUDHWBXSA-N 1 3 352.788 2.132 20 0 FEADHO CC(C)[NH2+]CC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000662467182 678625516 /nfs/dbraw/zinc/62/55/16/678625516.db2.gz QUZSWMBSNADQBI-UHFFFAOYSA-N 1 3 353.894 2.297 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cnn(C(C)(C)C)c(=O)c1Cl ZINC000664196760 678841906 /nfs/dbraw/zinc/84/19/06/678841906.db2.gz NNEVDOOMKXGWEQ-ZDUSSCGKSA-N 1 3 357.930 2.336 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cnn(C(C)(C)C)c(=O)c1Cl ZINC000664196760 678841910 /nfs/dbraw/zinc/84/19/10/678841910.db2.gz NNEVDOOMKXGWEQ-ZDUSSCGKSA-N 1 3 357.930 2.336 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ncc(C(C)(C)C)o1 ZINC000664290852 678856846 /nfs/dbraw/zinc/85/68/46/678856846.db2.gz PBISKBWFGZDZFX-AWEZNQCLSA-N 1 3 353.511 2.043 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ncc(C(C)(C)C)o1 ZINC000664290852 678856850 /nfs/dbraw/zinc/85/68/50/678856850.db2.gz PBISKBWFGZDZFX-AWEZNQCLSA-N 1 3 353.511 2.043 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCOC2(CCCCC2)C1 ZINC000665758213 678981908 /nfs/dbraw/zinc/98/19/08/678981908.db2.gz BOGVVEWMUFHKHS-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCOC2(CCCCC2)C1 ZINC000665758213 678981909 /nfs/dbraw/zinc/98/19/09/678981909.db2.gz BOGVVEWMUFHKHS-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000665759975 678982174 /nfs/dbraw/zinc/98/21/74/678982174.db2.gz VLYPAEZHKHXVTP-JKSUJKDBSA-N 1 3 368.547 2.103 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000665759975 678982177 /nfs/dbraw/zinc/98/21/77/678982177.db2.gz VLYPAEZHKHXVTP-JKSUJKDBSA-N 1 3 368.547 2.103 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000665762905 678982269 /nfs/dbraw/zinc/98/22/69/678982269.db2.gz TXYUALBTSXTTJR-BFHYXJOUSA-N 1 3 352.445 2.241 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000665762905 678982271 /nfs/dbraw/zinc/98/22/71/678982271.db2.gz TXYUALBTSXTTJR-BFHYXJOUSA-N 1 3 352.445 2.241 20 0 FEADHO COCC1(CNCc2c(Cl)n(C)nc2C(F)(F)F)CC[NH2+]CC1 ZINC000841067788 680861666 /nfs/dbraw/zinc/86/16/66/680861666.db2.gz DQORBTGDFAEVLO-UHFFFAOYSA-N 1 3 354.804 2.198 20 0 FEADHO C[NH+]1CCC(CNC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000751027436 680148955 /nfs/dbraw/zinc/14/89/55/680148955.db2.gz QGSVHFHWGXCLLZ-UHFFFAOYSA-N 1 3 360.571 2.457 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)Cc3cccc(Cl)n3)C2)CC[N@@H+]1C ZINC001029741183 680390416 /nfs/dbraw/zinc/39/04/16/680390416.db2.gz LAKPKRWIANQHTK-BFYDXBDKSA-N 1 3 364.921 2.356 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)Cc3cccc(Cl)n3)C2)CC[N@H+]1C ZINC001029741183 680390418 /nfs/dbraw/zinc/39/04/18/680390418.db2.gz LAKPKRWIANQHTK-BFYDXBDKSA-N 1 3 364.921 2.356 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2ccc(Cl)nc2)CC[N@@H+]1C ZINC001045043231 680619713 /nfs/dbraw/zinc/61/97/13/680619713.db2.gz FCIUJDCAMJKBAT-VNQPRFMTSA-N 1 3 350.894 2.156 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2ccc(Cl)nc2)CC[N@H+]1C ZINC001045043231 680619717 /nfs/dbraw/zinc/61/97/17/680619717.db2.gz FCIUJDCAMJKBAT-VNQPRFMTSA-N 1 3 350.894 2.156 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc(Cl)n1 ZINC000842514952 680951571 /nfs/dbraw/zinc/95/15/71/680951571.db2.gz KGLFDNDITIKXFA-UKRRQHHQSA-N 1 3 350.894 2.424 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc(Cl)n1 ZINC000842514950 680951703 /nfs/dbraw/zinc/95/17/03/680951703.db2.gz KGLFDNDITIKXFA-DZGCQCFKSA-N 1 3 350.894 2.424 20 0 FEADHO CC[NH+](CC)CCCNC(=O)C1CCN(CC2(Br)CC2)CC1 ZINC000846773550 681287953 /nfs/dbraw/zinc/28/79/53/681287953.db2.gz IYWHCVOETQGNFL-UHFFFAOYSA-N 1 3 374.367 2.474 20 0 FEADHO C[C@H](NC(=S)NC1CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778529694 681620337 /nfs/dbraw/zinc/62/03/37/681620337.db2.gz CSWFSVCPPKUNOM-FUHWJXTLSA-N 1 3 360.571 2.455 20 0 FEADHO C[C@H](NC(=S)NC1CCN(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778529694 681620338 /nfs/dbraw/zinc/62/03/38/681620338.db2.gz CSWFSVCPPKUNOM-FUHWJXTLSA-N 1 3 360.571 2.455 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1cccc(C(F)(F)F)n1 ZINC000849001906 681647470 /nfs/dbraw/zinc/64/74/70/681647470.db2.gz QBOPBZMMZBSQKV-LBPRGKRZSA-N 1 3 359.396 2.077 20 0 FEADHO CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000935817301 681828702 /nfs/dbraw/zinc/82/87/02/681828702.db2.gz MWPHLYNSMQYWJB-KRWDZBQOSA-N 1 3 355.567 2.485 20 0 FEADHO CCC[N@H+](C[C@@H](O)CN(C)C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851752263 682120180 /nfs/dbraw/zinc/12/01/80/682120180.db2.gz FHAGDJCLBFPXIW-SJORKVTESA-N 1 3 357.539 2.409 20 0 FEADHO CCC[N@@H+](C[C@@H](O)CN(C)C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851752263 682120182 /nfs/dbraw/zinc/12/01/82/682120182.db2.gz FHAGDJCLBFPXIW-SJORKVTESA-N 1 3 357.539 2.409 20 0 FEADHO C[NH+]1CCC2(CCC(NS(=O)(=O)C[C@@]34CCN(C3)CCC4)CC2)CC1 ZINC000915968515 685519960 /nfs/dbraw/zinc/51/99/60/685519960.db2.gz APQZPGKNOULJPD-IBGZPJMESA-N 1 3 369.575 2.046 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000854211783 682524725 /nfs/dbraw/zinc/52/47/25/682524725.db2.gz OLHQFTQBFVEIRA-CWRNSKLLSA-N 1 3 350.910 2.262 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000854211783 682524727 /nfs/dbraw/zinc/52/47/27/682524727.db2.gz OLHQFTQBFVEIRA-CWRNSKLLSA-N 1 3 350.910 2.262 20 0 FEADHO CC[C@@](O)(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cccc(Cl)c1 ZINC000855347232 682660221 /nfs/dbraw/zinc/66/02/21/682660221.db2.gz ZDFDDNOWYNMDSJ-KXBFYZLASA-N 1 3 369.937 2.326 20 0 FEADHO CC[C@@](O)(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cccc(Cl)c1 ZINC000855347232 682660225 /nfs/dbraw/zinc/66/02/25/682660225.db2.gz ZDFDDNOWYNMDSJ-KXBFYZLASA-N 1 3 369.937 2.326 20 0 FEADHO C[N@@H+]1CC[C@H](NC[C@@H]2COCCN2C(=O)OC(C)(C)C)[C@H]2CCC[C@H]21 ZINC000858526771 682977380 /nfs/dbraw/zinc/97/73/80/682977380.db2.gz JJRLGCGBHXAIPS-WCXIOVBPSA-N 1 3 353.507 2.085 20 0 FEADHO C[N@H+]1CC[C@H](NC[C@@H]2COCCN2C(=O)OC(C)(C)C)[C@H]2CCC[C@H]21 ZINC000858526771 682977382 /nfs/dbraw/zinc/97/73/82/682977382.db2.gz JJRLGCGBHXAIPS-WCXIOVBPSA-N 1 3 353.507 2.085 20 0 FEADHO CC(C)[NH+]1CCC(NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000926990999 683195038 /nfs/dbraw/zinc/19/50/38/683195038.db2.gz QGTMABYOMIBLLV-LJQANCHMSA-N 1 3 355.523 2.475 20 0 FEADHO C[C@H](C[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000799726184 683488530 /nfs/dbraw/zinc/48/85/30/683488530.db2.gz MDLBDGMZUBFLCA-HZPDHXFCSA-N 1 3 356.555 2.294 20 0 FEADHO CC(C)(C)OC(=O)N1[C@H](C[NH2+]C[C@H]2CCN(C3CC3)C2)COC1(C)C ZINC000862268228 683561772 /nfs/dbraw/zinc/56/17/72/683561772.db2.gz AQLMHQCWEQMTJF-GDBMZVCRSA-N 1 3 353.507 2.432 20 0 FEADHO CC(C)(C)OC(=O)N1[C@H](CNC[C@H]2CC[N@@H+](C3CC3)C2)COC1(C)C ZINC000862268228 683561774 /nfs/dbraw/zinc/56/17/74/683561774.db2.gz AQLMHQCWEQMTJF-GDBMZVCRSA-N 1 3 353.507 2.432 20 0 FEADHO CC(C)(C)OC(=O)N1[C@H](CNC[C@H]2CC[N@H+](C3CC3)C2)COC1(C)C ZINC000862268228 683561779 /nfs/dbraw/zinc/56/17/79/683561779.db2.gz AQLMHQCWEQMTJF-GDBMZVCRSA-N 1 3 353.507 2.432 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@@H+]1C ZINC000922270959 683690806 /nfs/dbraw/zinc/69/08/06/683690806.db2.gz ZDZJYEODLGPZDP-WPPJOMGTSA-N 1 3 362.440 2.184 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@H+]1C ZINC000922270959 683690808 /nfs/dbraw/zinc/69/08/08/683690808.db2.gz ZDZJYEODLGPZDP-WPPJOMGTSA-N 1 3 362.440 2.184 20 0 FEADHO C[C@H]1[C@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@@H+]1C ZINC000922270958 683690846 /nfs/dbraw/zinc/69/08/46/683690846.db2.gz ZDZJYEODLGPZDP-VYESFELBSA-N 1 3 362.440 2.184 20 0 FEADHO C[C@H]1[C@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@H+]1C ZINC000922270958 683690851 /nfs/dbraw/zinc/69/08/51/683690851.db2.gz ZDZJYEODLGPZDP-VYESFELBSA-N 1 3 362.440 2.184 20 0 FEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(CCOC)s3)C2)[C@H]1C(C)C ZINC000922393380 683713106 /nfs/dbraw/zinc/71/31/06/683713106.db2.gz JXDZNQBUMHPCLT-PSBWJHGTSA-N 1 3 367.559 2.291 20 0 FEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(CCOC)s3)C2)[C@H]1C(C)C ZINC000922393380 683713111 /nfs/dbraw/zinc/71/31/11/683713111.db2.gz JXDZNQBUMHPCLT-PSBWJHGTSA-N 1 3 367.559 2.291 20 0 FEADHO CC(C)(C)OC(=O)N1CCO[C@](C)(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000922788358 683783182 /nfs/dbraw/zinc/78/31/82/683783182.db2.gz VZIOPGYLZHCIGR-FRQCXROJSA-N 1 3 353.507 2.229 20 0 FEADHO CC(C)(C)OC(=O)N1CCO[C@](C)(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000922788358 683783188 /nfs/dbraw/zinc/78/31/88/683783188.db2.gz VZIOPGYLZHCIGR-FRQCXROJSA-N 1 3 353.507 2.229 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CCC2(CCC2)O1 ZINC000923199080 684239677 /nfs/dbraw/zinc/23/96/77/684239677.db2.gz NDZPALFOOJHOEJ-DLBZAZTESA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CCC2(CCC2)O1 ZINC000923199080 684239679 /nfs/dbraw/zinc/23/96/79/684239679.db2.gz NDZPALFOOJHOEJ-DLBZAZTESA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923454665 684283895 /nfs/dbraw/zinc/28/38/95/684283895.db2.gz IEYUDYYKPHEGEF-FPSMNIFISA-N 1 3 351.535 2.146 20 0 FEADHO [NH3+]CC[C@H]1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000923479623 684287710 /nfs/dbraw/zinc/28/77/10/684287710.db2.gz AAEZEWRWIGDJOM-SWLSCSKDSA-N 1 3 352.276 2.225 20 0 FEADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925783936 684585163 /nfs/dbraw/zinc/58/51/63/684585163.db2.gz POQIKWCTRNXPED-TZMCWYRMSA-N 1 3 361.458 2.344 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CC4(CSC4)C3)CC2)CC1 ZINC000871507205 684824838 /nfs/dbraw/zinc/82/48/38/684824838.db2.gz ZZRZWJLWRJAUAG-UHFFFAOYSA-N 1 3 351.560 2.195 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876876078 686286196 /nfs/dbraw/zinc/28/61/96/686286196.db2.gz JQXFSKDQELQTLF-SBJJXXPASA-N 1 3 351.441 2.411 20 0 FEADHO COCC[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)NC(=O)OC(C)(C)C ZINC000877516484 686398788 /nfs/dbraw/zinc/39/87/88/686398788.db2.gz APRMXQVZLPUDBD-VPSFDDGASA-N 1 3 355.523 2.473 20 0 FEADHO COCC[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)NC(=O)OC(C)(C)C ZINC000877516484 686398797 /nfs/dbraw/zinc/39/87/97/686398797.db2.gz APRMXQVZLPUDBD-VPSFDDGASA-N 1 3 355.523 2.473 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)Cc2ccccc2F)[C@H](C)C1 ZINC000886672422 688288278 /nfs/dbraw/zinc/28/82/78/688288278.db2.gz OHPQRSNURWHELV-KPFFTGBYSA-N 1 3 352.494 2.456 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)Cc2ccccc2F)[C@H](C)C1 ZINC000886672422 688288281 /nfs/dbraw/zinc/28/82/81/688288281.db2.gz OHPQRSNURWHELV-KPFFTGBYSA-N 1 3 352.494 2.456 20 0 FEADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891322433 689050222 /nfs/dbraw/zinc/05/02/22/689050222.db2.gz ORYHSIYFSBYXLH-UONOGXRCSA-N 1 3 372.485 2.429 20 0 FEADHO CN(C)C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000897691118 690063795 /nfs/dbraw/zinc/06/37/95/690063795.db2.gz FKGUULOPTJUCHL-GOSISDBHSA-N 1 3 365.905 2.170 20 0 FEADHO Cn1cc([C@@H]2CSCCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cn1 ZINC000903830204 690976076 /nfs/dbraw/zinc/97/60/76/690976076.db2.gz WBBIQJVJZYCNHM-IRXDYDNUSA-N 1 3 350.532 2.059 20 0 FEADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C[C@@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000903839413 690977798 /nfs/dbraw/zinc/97/77/98/690977798.db2.gz KNPXTMNYGKYUTI-OADPDTJPSA-N 1 3 373.266 2.140 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NN3[C@H](C)CCC[C@@H]3C)CC2)CC1 ZINC000907988277 691593845 /nfs/dbraw/zinc/59/38/45/691593845.db2.gz QBKVDILYZIFECI-CALCHBBNSA-N 1 3 350.551 2.477 20 0 FEADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(CN(C)C)ccn1)C2 ZINC001164816386 720185354 /nfs/dbraw/zinc/18/53/54/720185354.db2.gz LFTFVZQVXZUVHF-FPOVZHCZSA-N 1 3 358.530 2.328 20 0 FEADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(CN(C)C)ccn1)C2 ZINC001164816386 720185358 /nfs/dbraw/zinc/18/53/58/720185358.db2.gz LFTFVZQVXZUVHF-FPOVZHCZSA-N 1 3 358.530 2.328 20 0 FEADHO Cc1cc2[nH]ccc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)[nH+]1 ZINC001164741072 720711423 /nfs/dbraw/zinc/71/14/23/720711423.db2.gz SKDPYBPAFCCABB-LSDHHAIUSA-N 1 3 350.426 2.003 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000051280869 540429639 /nfs/dbraw/zinc/42/96/39/540429639.db2.gz GVNIMIWWYWJLFE-UXHICEINSA-N 1 3 356.514 2.400 20 0 FEADHO COCc1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000051271207 540428390 /nfs/dbraw/zinc/42/83/90/540428390.db2.gz YGRCTCOTQMLKRL-UHFFFAOYSA-N 1 3 374.529 2.191 20 0 FEADHO Cn1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]34)C2)n1 ZINC000359998442 223143935 /nfs/dbraw/zinc/14/39/35/223143935.db2.gz LYICAMUMKRGCBV-PLACYPQZSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1ccc(N2CC[C@H](N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)C2)n1 ZINC000359998442 223143937 /nfs/dbraw/zinc/14/39/37/223143937.db2.gz LYICAMUMKRGCBV-PLACYPQZSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1ccc(N2CC[C@H](N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)C2)n1 ZINC000359998442 223143939 /nfs/dbraw/zinc/14/39/39/223143939.db2.gz LYICAMUMKRGCBV-PLACYPQZSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)C2)n1 ZINC000359998443 223144397 /nfs/dbraw/zinc/14/43/97/223144397.db2.gz LYICAMUMKRGCBV-UWHLTILDSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1ccc(N2CC[C@H](N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C2)n1 ZINC000359998443 223144401 /nfs/dbraw/zinc/14/44/01/223144401.db2.gz LYICAMUMKRGCBV-UWHLTILDSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1ccc(N2CC[C@H](N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)C2)n1 ZINC000359998443 223144403 /nfs/dbraw/zinc/14/44/03/223144403.db2.gz LYICAMUMKRGCBV-UWHLTILDSA-N 1 3 365.525 2.499 20 0 FEADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)C1CCOCC1 ZINC000072521007 541825924 /nfs/dbraw/zinc/82/59/24/541825924.db2.gz NNGVFEMUZGFXRI-RTBURBONSA-N 1 3 368.566 2.249 20 0 FEADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)C1CCOCC1 ZINC000072521007 541825927 /nfs/dbraw/zinc/82/59/27/541825927.db2.gz NNGVFEMUZGFXRI-RTBURBONSA-N 1 3 368.566 2.249 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000073915340 542014149 /nfs/dbraw/zinc/01/41/49/542014149.db2.gz BNPXYDGDMDGOOU-ZWKOTPCHSA-N 1 3 360.502 2.005 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C ZINC000073915340 542014151 /nfs/dbraw/zinc/01/41/51/542014151.db2.gz BNPXYDGDMDGOOU-ZWKOTPCHSA-N 1 3 360.502 2.005 20 0 FEADHO CC[NH+](CC)[C@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000074177335 542049285 /nfs/dbraw/zinc/04/92/85/542049285.db2.gz LUBIETBRMHBHJV-FQEVSTJZSA-N 1 3 358.530 2.141 20 0 FEADHO Cn1c2ccc(C[NH2+]C3CCN([C@@H]4CCC[C@H]4O)CC3)cc2sc1=O ZINC000551231848 674132930 /nfs/dbraw/zinc/13/29/30/674132930.db2.gz HIGFHQVKPWOPDI-NVXWUHKLSA-N 1 3 361.511 2.067 20 0 FEADHO C[C@H](CNC(=O)NCCCN1CCc2ccccc2C1)C[NH+]1CCCC1 ZINC000079987876 542555533 /nfs/dbraw/zinc/55/55/33/542555533.db2.gz GJGOBEKXDMRNSN-GOSISDBHSA-N 1 3 358.530 2.466 20 0 FEADHO CC(C)n1cc(Br)cc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000080061031 542561549 /nfs/dbraw/zinc/56/15/49/542561549.db2.gz IOZVWOKVQZTATF-UHFFFAOYSA-N 1 3 373.339 2.397 20 0 FEADHO C[C@@H]1CN(C(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000092821085 542888042 /nfs/dbraw/zinc/88/80/42/542888042.db2.gz ADTOGGZYPKPEQZ-HDICACEKSA-N 1 3 374.529 2.256 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccc(OC)c1 ZINC000101602720 543036468 /nfs/dbraw/zinc/03/64/68/543036468.db2.gz GHLBRWVOYGWJKM-GOSISDBHSA-N 1 3 362.518 2.253 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccc(OC)c1 ZINC000101602720 543036469 /nfs/dbraw/zinc/03/64/69/543036469.db2.gz GHLBRWVOYGWJKM-GOSISDBHSA-N 1 3 362.518 2.253 20 0 FEADHO CN(C)c1cccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000102013641 543055751 /nfs/dbraw/zinc/05/57/51/543055751.db2.gz AWGXWURDVHCVRG-UHFFFAOYSA-N 1 3 373.545 2.110 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000103213016 543097264 /nfs/dbraw/zinc/09/72/64/543097264.db2.gz KWYQETFEYUTYPA-UHFFFAOYSA-N 1 3 350.894 2.316 20 0 FEADHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000104923941 543150716 /nfs/dbraw/zinc/15/07/16/543150716.db2.gz ODSKOADESNRCRW-HXUWFJFHSA-N 1 3 359.514 2.134 20 0 FEADHO C[N@@H+]1CCC[C@@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000111618250 543408978 /nfs/dbraw/zinc/40/89/78/543408978.db2.gz CXDHADBXLJOHPS-IBGZPJMESA-N 1 3 358.530 2.047 20 0 FEADHO C[N@H+]1CCC[C@@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000111618250 543408981 /nfs/dbraw/zinc/40/89/81/543408981.db2.gz CXDHADBXLJOHPS-IBGZPJMESA-N 1 3 358.530 2.047 20 0 FEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(CCOC)CC2)C1 ZINC000111842061 543419257 /nfs/dbraw/zinc/41/92/57/543419257.db2.gz VDCJRGSXJWEJDY-KRWDZBQOSA-N 1 3 368.566 2.297 20 0 FEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(CCOC)CC2)C1 ZINC000111842061 543419259 /nfs/dbraw/zinc/41/92/59/543419259.db2.gz VDCJRGSXJWEJDY-KRWDZBQOSA-N 1 3 368.566 2.297 20 0 FEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000118114042 543645151 /nfs/dbraw/zinc/64/51/51/543645151.db2.gz AFHAPLXOTABWSV-LJQANCHMSA-N 1 3 374.529 2.458 20 0 FEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000118114042 543645153 /nfs/dbraw/zinc/64/51/53/543645153.db2.gz AFHAPLXOTABWSV-LJQANCHMSA-N 1 3 374.529 2.458 20 0 FEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000124268604 543810490 /nfs/dbraw/zinc/81/04/90/543810490.db2.gz ABBOCROPUHZQOU-OAQYLSRUSA-N 1 3 372.557 2.315 20 0 FEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000124268604 543810493 /nfs/dbraw/zinc/81/04/93/543810493.db2.gz ABBOCROPUHZQOU-OAQYLSRUSA-N 1 3 372.557 2.315 20 0 FEADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC([NH+](C)C)CC1 ZINC000127918706 544021798 /nfs/dbraw/zinc/02/17/98/544021798.db2.gz GYUYWUGKZFTYIE-SFHVURJKSA-N 1 3 372.557 2.182 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc2c(c1)OCCCO2 ZINC000128046790 544029328 /nfs/dbraw/zinc/02/93/28/544029328.db2.gz HFMRDMVUFQRMKL-WBVHZDCISA-N 1 3 361.486 2.086 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)N1CCc2ccccc2C1 ZINC000129507292 544116238 /nfs/dbraw/zinc/11/62/38/544116238.db2.gz CUDCQJLRNCWEDO-YLJYHZDGSA-N 1 3 358.530 2.416 20 0 FEADHO CC(C)[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)N(C)C ZINC000130567429 544155963 /nfs/dbraw/zinc/15/59/63/544155963.db2.gz WPKWJVOCTNYZHW-RBUKOAKNSA-N 1 3 374.529 2.378 20 0 FEADHO CC(C)[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1)N(C)C ZINC000130567429 544155965 /nfs/dbraw/zinc/15/59/65/544155965.db2.gz WPKWJVOCTNYZHW-RBUKOAKNSA-N 1 3 374.529 2.378 20 0 FEADHO CN(c1ccccc1C[NH2+]CCCN1CCOCC1)C1CCN(C)CC1 ZINC000132689911 544240764 /nfs/dbraw/zinc/24/07/64/544240764.db2.gz YAVOVLJOLMPZGN-UHFFFAOYSA-N 1 3 360.546 2.029 20 0 FEADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CSCCN1 ZINC000133959482 544289234 /nfs/dbraw/zinc/28/92/34/544289234.db2.gz XQILDGFKQYHWEM-RBUKOAKNSA-N 1 3 361.555 2.452 20 0 FEADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CSCCN1 ZINC000133959482 544289236 /nfs/dbraw/zinc/28/92/36/544289236.db2.gz XQILDGFKQYHWEM-RBUKOAKNSA-N 1 3 361.555 2.452 20 0 FEADHO Cc1cnn(-c2ccc(C)cc2NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000133095365 544255816 /nfs/dbraw/zinc/25/58/16/544255816.db2.gz XRPBRXBQZJNPKS-UHFFFAOYSA-N 1 3 372.517 2.446 20 0 FEADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000150978430 544492721 /nfs/dbraw/zinc/49/27/21/544492721.db2.gz ILWKYJFGWCTSLA-QGZVFWFLSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1cccc(OCC[NH+](C)C)c1 ZINC000179977536 327666695 /nfs/dbraw/zinc/66/66/95/327666695.db2.gz SGRLOLBHKHBBKZ-QFBILLFUSA-N 1 3 364.486 2.200 20 0 FEADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C12CCC2 ZINC000181975675 327755088 /nfs/dbraw/zinc/75/50/88/327755088.db2.gz FUJRDPPKVPGDSV-RTBURBONSA-N 1 3 359.514 2.415 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C[C@H]3CCC[NH2+]3)C3CC3)cc2)CC1 ZINC000186527264 327966406 /nfs/dbraw/zinc/96/64/06/327966406.db2.gz MHAMQJFMMRLKTO-GOSISDBHSA-N 1 3 356.514 2.185 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)c2[nH]nc3c2CNCC3)CC[N@@H+]1Cc1ccccc1 ZINC000188765809 328109435 /nfs/dbraw/zinc/10/94/35/328109435.db2.gz JBXXDSSMEOLONO-DOTOQJQBSA-N 1 3 367.497 2.181 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)c2[nH]nc3c2CNCC3)CC[N@H+]1Cc1ccccc1 ZINC000188765809 328109437 /nfs/dbraw/zinc/10/94/37/328109437.db2.gz JBXXDSSMEOLONO-DOTOQJQBSA-N 1 3 367.497 2.181 20 0 FEADHO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191462495 328266988 /nfs/dbraw/zinc/26/69/88/328266988.db2.gz HHSBFADXPOBSOY-UXHICEINSA-N 1 3 366.594 2.419 20 0 FEADHO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191462495 328266990 /nfs/dbraw/zinc/26/69/90/328266990.db2.gz HHSBFADXPOBSOY-UXHICEINSA-N 1 3 366.594 2.419 20 0 FEADHO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191466333 328267142 /nfs/dbraw/zinc/26/71/42/328267142.db2.gz ITSOZGNSDLXREQ-WOJBJXKFSA-N 1 3 366.594 2.419 20 0 FEADHO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191466333 328267144 /nfs/dbraw/zinc/26/71/44/328267144.db2.gz ITSOZGNSDLXREQ-WOJBJXKFSA-N 1 3 366.594 2.419 20 0 FEADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)CC1 ZINC000192790576 328339945 /nfs/dbraw/zinc/33/99/45/328339945.db2.gz CSYHNYYWTSDBOF-GOSISDBHSA-N 1 3 356.518 2.334 20 0 FEADHO CC[NH2+]CC1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000237059429 328503077 /nfs/dbraw/zinc/50/30/77/328503077.db2.gz MPXZHDNFSMUEFF-UHFFFAOYSA-N 1 3 372.557 2.437 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)CCC3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000237399091 328514570 /nfs/dbraw/zinc/51/45/70/328514570.db2.gz MFBMNWQZOLBKMK-IAGOWNOFSA-N 1 3 351.535 2.114 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@@]3(C)CCC[NH2+]C3)CC2)cc1 ZINC000237287750 328511083 /nfs/dbraw/zinc/51/10/83/328511083.db2.gz SAJJNPGINNUVAM-NRFANRHFSA-N 1 3 359.514 2.413 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000079171271 325080281 /nfs/dbraw/zinc/08/02/81/325080281.db2.gz SLLOYAUEVKZEIG-LJQANCHMSA-N 1 3 374.529 2.397 20 0 FEADHO CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000088739200 325299719 /nfs/dbraw/zinc/29/97/19/325299719.db2.gz VIBPOSBKOVEDGB-GOSISDBHSA-N 1 3 356.514 2.072 20 0 FEADHO CC[N@@H+]1CC[C@H](NCCNC(=O)c2cccc(Br)c2)[C@H](C)C1 ZINC000089666065 325326020 /nfs/dbraw/zinc/32/60/20/325326020.db2.gz CYLGOGDZJTVZPK-CJNGLKHVSA-N 1 3 368.319 2.499 20 0 FEADHO CC[N@H+]1CC[C@H](NCCNC(=O)c2cccc(Br)c2)[C@H](C)C1 ZINC000089666065 325326024 /nfs/dbraw/zinc/32/60/24/325326024.db2.gz CYLGOGDZJTVZPK-CJNGLKHVSA-N 1 3 368.319 2.499 20 0 FEADHO CC[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cnn(C)c1 ZINC000090028768 325351994 /nfs/dbraw/zinc/35/19/94/325351994.db2.gz SPBRPWLTZVEWRO-FQEVSTJZSA-N 1 3 369.513 2.487 20 0 FEADHO O=S(=O)(C1CC1)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000090231999 325356999 /nfs/dbraw/zinc/35/69/99/325356999.db2.gz RGRZYOXGRBBSOH-UHFFFAOYSA-N 1 3 369.575 2.330 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN(C)C[C@@H](C)Cc2ccc(OC)cc2)CC1 ZINC000090617247 325365786 /nfs/dbraw/zinc/36/57/86/325365786.db2.gz NNVPENHZQARVEU-KRWDZBQOSA-N 1 3 361.530 2.406 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091232805 325382104 /nfs/dbraw/zinc/38/21/04/325382104.db2.gz JRKQZXSFEJMFIB-LPHOPBHVSA-N 1 3 359.518 2.280 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091232805 325382106 /nfs/dbraw/zinc/38/21/06/325382106.db2.gz JRKQZXSFEJMFIB-LPHOPBHVSA-N 1 3 359.518 2.280 20 0 FEADHO CC(C)[NH2+]C1CCN(C(=O)NCc2ccccc2OCCN(C)C)CC1 ZINC000111845073 325739308 /nfs/dbraw/zinc/73/93/08/325739308.db2.gz XJAFDSROSTUPLL-UHFFFAOYSA-N 1 3 362.518 2.299 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)[C@H](C)C1 ZINC000119842185 326204343 /nfs/dbraw/zinc/20/43/43/326204343.db2.gz PCGHAFIOZQZXIT-VQIMIIECSA-N 1 3 374.529 2.184 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)[C@H](C)C1 ZINC000119842185 326204346 /nfs/dbraw/zinc/20/43/46/326204346.db2.gz PCGHAFIOZQZXIT-VQIMIIECSA-N 1 3 374.529 2.184 20 0 FEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000120768353 326286787 /nfs/dbraw/zinc/28/67/87/326286787.db2.gz SHDFOLFXJZHCKP-LEWJYISDSA-N 1 3 373.541 2.494 20 0 FEADHO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(CO)c1 ZINC000121651116 326354884 /nfs/dbraw/zinc/35/48/84/326354884.db2.gz UTLGQJPXUSDCTJ-INIZCTEOSA-N 1 3 355.482 2.321 20 0 FEADHO CC[NH+]1CCC(CCN[C@@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000121747793 326363866 /nfs/dbraw/zinc/36/38/66/326363866.db2.gz PDRQHHZEIAWNIY-HNNXBMFYSA-N 1 3 353.532 2.367 20 0 FEADHO COc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1-c1ccccn1 ZINC000122309548 326391863 /nfs/dbraw/zinc/39/18/63/326391863.db2.gz KAGCWLOFMZGGHH-UHFFFAOYSA-N 1 3 370.497 2.323 20 0 FEADHO CC(=O)Nc1ccc(Cl)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000131519221 326576120 /nfs/dbraw/zinc/57/61/20/326576120.db2.gz YOLZJMBQCZVSEO-UHFFFAOYSA-N 1 3 369.897 2.256 20 0 FEADHO COc1cc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc(OC)c1OC ZINC000150969438 326672080 /nfs/dbraw/zinc/67/20/80/326672080.db2.gz ROFZMIYOUGPHSZ-OAHLLOKOSA-N 1 3 365.518 2.389 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000152228089 326702074 /nfs/dbraw/zinc/70/20/74/326702074.db2.gz YOUHIFIJDSEJJB-PKOBYXMFSA-N 1 3 358.530 2.352 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000155699283 326800656 /nfs/dbraw/zinc/80/06/56/326800656.db2.gz CPHBTZTXCBHMPG-CVEARBPZSA-N 1 3 362.518 2.330 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000158138685 326886356 /nfs/dbraw/zinc/88/63/56/326886356.db2.gz BXSNLUYLOTXVPI-UHFFFAOYSA-N 1 3 374.529 2.232 20 0 FEADHO CSCC[C@@H](N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000158174349 326887584 /nfs/dbraw/zinc/88/75/84/326887584.db2.gz JXHCDZRPQUWSAY-QGZVFWFLSA-N 1 3 350.532 2.227 20 0 FEADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000162216676 327020115 /nfs/dbraw/zinc/02/01/15/327020115.db2.gz JIGUCLBIMCEHPN-UHFFFAOYSA-N 1 3 359.470 2.464 20 0 FEADHO COc1ccc(C)cc1[C@H](C)NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000162390593 327024383 /nfs/dbraw/zinc/02/43/83/327024383.db2.gz SNBXUIIUMYYOBH-SFHVURJKSA-N 1 3 361.530 2.451 20 0 FEADHO CC[N@H+](CCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C(C)C ZINC000164085939 327064618 /nfs/dbraw/zinc/06/46/18/327064618.db2.gz BTBJDCUQGUMVTI-UHFFFAOYSA-N 1 3 361.530 2.351 20 0 FEADHO CC[N@@H+](CCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C(C)C ZINC000164085939 327064619 /nfs/dbraw/zinc/06/46/19/327064619.db2.gz BTBJDCUQGUMVTI-UHFFFAOYSA-N 1 3 361.530 2.351 20 0 FEADHO CSCC[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000167433975 327084971 /nfs/dbraw/zinc/08/49/71/327084971.db2.gz FGCAMCUJSYZJPX-INIZCTEOSA-N 1 3 368.522 2.375 20 0 FEADHO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168894477 327087820 /nfs/dbraw/zinc/08/78/20/327087820.db2.gz QGULQHBMUUKOCD-DYESRHJHSA-N 1 3 363.521 2.429 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171038848 327113957 /nfs/dbraw/zinc/11/39/57/327113957.db2.gz AMLMCLAAHVZREG-FQEVSTJZSA-N 1 3 356.514 2.315 20 0 FEADHO CCN(CCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000171157560 327121203 /nfs/dbraw/zinc/12/12/03/327121203.db2.gz SRKDYOLGGWNGOH-UHFFFAOYSA-N 1 3 358.530 2.477 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000171197412 327123821 /nfs/dbraw/zinc/12/38/21/327123821.db2.gz OMOVKOUPNGKFNS-UHFFFAOYSA-N 1 3 362.518 2.048 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccc(F)c1 ZINC000173704813 327278083 /nfs/dbraw/zinc/27/80/83/327278083.db2.gz APZFIMWPVOADBZ-SFHVURJKSA-N 1 3 350.482 2.383 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccc(F)c1 ZINC000173704813 327278084 /nfs/dbraw/zinc/27/80/84/327278084.db2.gz APZFIMWPVOADBZ-SFHVURJKSA-N 1 3 350.482 2.383 20 0 FEADHO CC1CCN(CCNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000173844770 327288501 /nfs/dbraw/zinc/28/85/01/327288501.db2.gz CFYCSKIJFHBEBM-UHFFFAOYSA-N 1 3 366.550 2.005 20 0 FEADHO C[NH+](C)CCn1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)n1 ZINC000173911483 327294071 /nfs/dbraw/zinc/29/40/71/327294071.db2.gz BXHRIORRQZMANM-UHFFFAOYSA-N 1 3 362.522 2.175 20 0 FEADHO CC[N@@H+]1CCC[C@H](NC(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000174645106 327341257 /nfs/dbraw/zinc/34/12/57/327341257.db2.gz ILTSYXDYLHXMIY-IBGZPJMESA-N 1 3 358.530 2.108 20 0 FEADHO CC[N@H+]1CCC[C@H](NC(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000174645106 327341258 /nfs/dbraw/zinc/34/12/58/327341258.db2.gz ILTSYXDYLHXMIY-IBGZPJMESA-N 1 3 358.530 2.108 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000178542865 327591560 /nfs/dbraw/zinc/59/15/60/327591560.db2.gz MPMRPBXPUDWFCR-KRWDZBQOSA-N 1 3 359.518 2.392 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000261754180 328817075 /nfs/dbraw/zinc/81/70/75/328817075.db2.gz HNEJVMGFOVYDKN-ZHALLVOQSA-N 1 3 351.535 2.114 20 0 FEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(CCOC)CCN(C)C ZINC000264219078 329001398 /nfs/dbraw/zinc/00/13/98/329001398.db2.gz BIZWQEYPAJQRMQ-UHFFFAOYSA-N 1 3 364.534 2.248 20 0 FEADHO CC[C@@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)N(CC)CC ZINC000265404785 329123170 /nfs/dbraw/zinc/12/31/70/329123170.db2.gz BLVFXPHQDSBINB-HNNXBMFYSA-N 1 3 362.474 2.215 20 0 FEADHO COC[C@@H]1CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000265811352 329162629 /nfs/dbraw/zinc/16/26/29/329162629.db2.gz QBZYICVAROFRSB-PKOBYXMFSA-N 1 3 359.514 2.124 20 0 FEADHO COCCCN1CCC(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC000269260689 329501545 /nfs/dbraw/zinc/50/15/45/329501545.db2.gz VQCQCRCUEILUEI-UHFFFAOYSA-N 1 3 372.513 2.221 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000274691045 329971412 /nfs/dbraw/zinc/97/14/12/329971412.db2.gz QCUISQMKUBLCLS-MRXNPFEDSA-N 1 3 361.530 2.426 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000275174364 330018486 /nfs/dbraw/zinc/01/84/86/330018486.db2.gz CMSPRZXGSNVDQA-RLLQIKCJSA-N 1 3 358.530 2.490 20 0 FEADHO CCC[C@H](C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1)N(C)C ZINC000367029878 330208776 /nfs/dbraw/zinc/20/87/76/330208776.db2.gz NXYWDSQVTFLIIB-LJQANCHMSA-N 1 3 352.567 2.029 20 0 FEADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CN2CCN1CCC2 ZINC000367053226 330211917 /nfs/dbraw/zinc/21/19/17/330211917.db2.gz OXZYFHXXFQBICN-HXUWFJFHSA-N 1 3 356.514 2.043 20 0 FEADHO CN1CC[NH+](C2(CNCc3cn(C(C)(C)C)nn3)CCCCCC2)CC1 ZINC000373626919 330246380 /nfs/dbraw/zinc/24/63/80/330246380.db2.gz TWMTTZWUHFLHCS-UHFFFAOYSA-N 1 3 362.566 2.463 20 0 FEADHO Cc1cc(NC(=O)C(=O)N[C@@H](C)CN2CCCCCC2)ccc1C[NH+](C)C ZINC000411375362 330255128 /nfs/dbraw/zinc/25/51/28/330255128.db2.gz GLWWRSGQSUKXAK-KRWDZBQOSA-N 1 3 374.529 2.376 20 0 FEADHO Cc1ccc2ncc(CNCc3ccc(C(=O)NCC[NH+](C)C)cc3)n2c1 ZINC000156982288 545684795 /nfs/dbraw/zinc/68/47/95/545684795.db2.gz ICRIUPJFTXGXFB-UHFFFAOYSA-N 1 3 365.481 2.224 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000478525432 561168819 /nfs/dbraw/zinc/16/88/19/561168819.db2.gz BOTPXCIBAPIYGD-MRXNPFEDSA-N 1 3 350.507 2.109 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000175734005 546341482 /nfs/dbraw/zinc/34/14/82/546341482.db2.gz HFXCWJNEUATWDJ-QZTJIDSGSA-N 1 3 362.518 2.299 20 0 FEADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)C1(OC)CC[NH2+]CC1 ZINC000178845380 546860551 /nfs/dbraw/zinc/86/05/51/546860551.db2.gz CCDPQQWMDRVYLY-LJQANCHMSA-N 1 3 359.514 2.126 20 0 FEADHO Cn1cc([C@H](NC2CCN(CC[NH+](C)C)CC2)c2cccc(F)c2)cn1 ZINC000180077526 547047766 /nfs/dbraw/zinc/04/77/66/547047766.db2.gz VDIAEFVGRKQXMA-HXUWFJFHSA-N 1 3 359.493 2.264 20 0 FEADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000482550039 561255885 /nfs/dbraw/zinc/25/58/85/561255885.db2.gz FMQCFRHUTDWDAW-GOEBONIOSA-N 1 3 372.513 2.154 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)[C@H](C)C1 ZINC000483207709 561270421 /nfs/dbraw/zinc/27/04/21/561270421.db2.gz GKYJXPPUVVAGQT-SBHAEUEKSA-N 1 3 367.578 2.214 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000483207710 561270456 /nfs/dbraw/zinc/27/04/56/561270456.db2.gz GKYJXPPUVVAGQT-ZJOUEHCJSA-N 1 3 367.578 2.214 20 0 FEADHO Cc1ccc(NC(=O)[C@H](C)N(C)CCC[NH+]2CCN(C)CC2)c(F)c1 ZINC000182959943 547578888 /nfs/dbraw/zinc/57/88/88/547578888.db2.gz VQETUJOXOMJWEB-INIZCTEOSA-N 1 3 350.482 2.030 20 0 FEADHO CCN1CCN(CCCC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000192472568 548364441 /nfs/dbraw/zinc/36/44/41/548364441.db2.gz IUKVWYNKSZUTLL-UHFFFAOYSA-N 1 3 362.543 2.107 20 0 FEADHO CN(C(=O)c1csc(CC[NH3+])n1)C1CCN(Cc2ccccc2)CC1 ZINC000194834401 548538772 /nfs/dbraw/zinc/53/87/72/548538772.db2.gz NNMJNSBPSWPVHN-UHFFFAOYSA-N 1 3 358.511 2.381 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000486894583 561359185 /nfs/dbraw/zinc/35/91/85/561359185.db2.gz AQHWDOJOUJKWBT-UHFFFAOYSA-N 1 3 353.551 2.315 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000486894583 561359186 /nfs/dbraw/zinc/35/91/86/561359186.db2.gz AQHWDOJOUJKWBT-UHFFFAOYSA-N 1 3 353.551 2.315 20 0 FEADHO CCCCOC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000195181735 548591659 /nfs/dbraw/zinc/59/16/59/548591659.db2.gz FQYUJFASETUOIA-WSTZPKSXSA-N 1 3 356.551 2.375 20 0 FEADHO CC(=O)Nc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000195341918 548628984 /nfs/dbraw/zinc/62/89/84/548628984.db2.gz NLMFOQDEGUGUGN-UHFFFAOYSA-N 1 3 373.501 2.325 20 0 FEADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2cccc(Br)c2)CC[N@@H+]1C ZINC000226875674 548750248 /nfs/dbraw/zinc/75/02/48/548750248.db2.gz FODUILFFYODQMK-BPLDGKMQSA-N 1 3 357.292 2.261 20 0 FEADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2cccc(Br)c2)CC[N@H+]1C ZINC000226875674 548750254 /nfs/dbraw/zinc/75/02/54/548750254.db2.gz FODUILFFYODQMK-BPLDGKMQSA-N 1 3 357.292 2.261 20 0 FEADHO CC(C)[C@@H](CNC(=O)C[C@H]1CSCC[NH2+]1)N1CCc2ccccc2C1 ZINC000236682470 548772891 /nfs/dbraw/zinc/77/28/91/548772891.db2.gz XAIZCLUHCQJTTR-RBUKOAKNSA-N 1 3 361.555 2.281 20 0 FEADHO O=C(N1CCC[NH2+]CC1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237793332 548852766 /nfs/dbraw/zinc/85/27/66/548852766.db2.gz UNYDLGLSZKJXFY-QGZVFWFLSA-N 1 3 355.404 2.263 20 0 FEADHO C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N1CCN(C)CC1 ZINC000245664250 548969244 /nfs/dbraw/zinc/96/92/44/548969244.db2.gz GIGYEQBIPMUAPZ-NMIHRBCNSA-N 1 3 356.558 2.408 20 0 FEADHO C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCN(C)CC1 ZINC000245664250 548969246 /nfs/dbraw/zinc/96/92/46/548969246.db2.gz GIGYEQBIPMUAPZ-NMIHRBCNSA-N 1 3 356.558 2.408 20 0 FEADHO C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCN(C)CC1 ZINC000245664250 548969251 /nfs/dbraw/zinc/96/92/51/548969251.db2.gz GIGYEQBIPMUAPZ-NMIHRBCNSA-N 1 3 356.558 2.408 20 0 FEADHO NC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000246181203 549070904 /nfs/dbraw/zinc/07/09/04/549070904.db2.gz CEIYRDJAOFGMJQ-PZJWPPBQSA-N 1 3 351.494 2.410 20 0 FEADHO NC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000246181203 549070907 /nfs/dbraw/zinc/07/09/07/549070907.db2.gz CEIYRDJAOFGMJQ-PZJWPPBQSA-N 1 3 351.494 2.410 20 0 FEADHO CC[NH+](CC)CC1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000488377477 561388905 /nfs/dbraw/zinc/38/89/05/561388905.db2.gz SAYFKSHLTOCGMZ-KRWDZBQOSA-N 1 3 364.486 2.209 20 0 FEADHO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000246436298 549132005 /nfs/dbraw/zinc/13/20/05/549132005.db2.gz TZGFFHLUDHTPLR-WOJBJXKFSA-N 1 3 354.498 2.307 20 0 FEADHO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000246436298 549132009 /nfs/dbraw/zinc/13/20/09/549132009.db2.gz TZGFFHLUDHTPLR-WOJBJXKFSA-N 1 3 354.498 2.307 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)C[C@@H]1CCC[C@H]1O ZINC000247001752 549261152 /nfs/dbraw/zinc/26/11/52/549261152.db2.gz UFHGJFHOTILCMJ-SLYNCCJLSA-N 1 3 373.541 2.249 20 0 FEADHO C[C@H](NC(=O)[C@H]1CCCN1C1CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248402658 549429561 /nfs/dbraw/zinc/42/95/61/549429561.db2.gz NPYDJZVGLAHFIQ-ABSDTBQOSA-N 1 3 363.546 2.399 20 0 FEADHO C[C@H](NC(=O)[C@H]1CCCN1C1CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248402658 549429565 /nfs/dbraw/zinc/42/95/65/549429565.db2.gz NPYDJZVGLAHFIQ-ABSDTBQOSA-N 1 3 363.546 2.399 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)C1 ZINC000489608553 561415466 /nfs/dbraw/zinc/41/54/66/561415466.db2.gz QKSODZYBDQHIPD-NCXUSEDFSA-N 1 3 350.551 2.336 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)C1 ZINC000489608553 561415467 /nfs/dbraw/zinc/41/54/67/561415467.db2.gz QKSODZYBDQHIPD-NCXUSEDFSA-N 1 3 350.551 2.336 20 0 FEADHO COCC1(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000261588165 549733362 /nfs/dbraw/zinc/73/33/62/549733362.db2.gz KAAHGKQFNRKOQY-UHFFFAOYSA-N 1 3 359.514 2.126 20 0 FEADHO Cc1ccc(C)c(OCCN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261825865 549759869 /nfs/dbraw/zinc/75/98/69/549759869.db2.gz KPXSYMRXNCHPLJ-RTBURBONSA-N 1 3 359.514 2.262 20 0 FEADHO Cc1ccc(C)c(OCCN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261825864 549759925 /nfs/dbraw/zinc/75/99/25/549759925.db2.gz KPXSYMRXNCHPLJ-RBUKOAKNSA-N 1 3 359.514 2.262 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261878964 549765369 /nfs/dbraw/zinc/76/53/69/549765369.db2.gz YFUAPVMBCOLWOC-RBUKOAKNSA-N 1 3 353.466 2.194 20 0 FEADHO COCC1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC[NH2+]CC1 ZINC000262439250 549820040 /nfs/dbraw/zinc/82/00/40/549820040.db2.gz XWNNDKCSELJKHE-OAHLLOKOSA-N 1 3 351.516 2.017 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CCCO1 ZINC000490378558 561432008 /nfs/dbraw/zinc/43/20/08/561432008.db2.gz TUOFNFFBIOYYNI-QZTJIDSGSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CCCO1 ZINC000490378558 561432009 /nfs/dbraw/zinc/43/20/09/561432009.db2.gz TUOFNFFBIOYYNI-QZTJIDSGSA-N 1 3 366.550 2.003 20 0 FEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262707537 549841576 /nfs/dbraw/zinc/84/15/76/549841576.db2.gz DQOYSXPUJIRQPD-MOPGFXCFSA-N 1 3 367.497 2.202 20 0 FEADHO CC(C)c1ccc([C@H](N)CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000262799044 549850918 /nfs/dbraw/zinc/85/09/18/549850918.db2.gz NTKHNUJPKYEKEB-ZWKOTPCHSA-N 1 3 355.486 2.361 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CCCC[C@]3(C)[NH3+])CC2)C[C@@H](C)O1 ZINC000263171257 549883508 /nfs/dbraw/zinc/88/35/08/549883508.db2.gz FSKBUKNPLTYKLF-HBXLWWENSA-N 1 3 351.535 2.242 20 0 FEADHO CC1CCN(CC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)CC1 ZINC000268476611 550072841 /nfs/dbraw/zinc/07/28/41/550072841.db2.gz HRWFHTFQDGDDGC-UHFFFAOYSA-N 1 3 358.530 2.279 20 0 FEADHO C[NH+]1CCC(N2CCC(Nc3ccc4nnc(C(F)F)n4n3)CC2)CC1 ZINC000269046491 550148738 /nfs/dbraw/zinc/14/87/38/550148738.db2.gz OVZMCOVSFDIDKP-UHFFFAOYSA-N 1 3 365.432 2.032 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCc1ccccn1 ZINC000269425467 550194404 /nfs/dbraw/zinc/19/44/04/550194404.db2.gz FNHHVKUSLRZARM-IBGZPJMESA-N 1 3 361.534 2.072 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCc1ccccn1 ZINC000269425467 550194406 /nfs/dbraw/zinc/19/44/06/550194406.db2.gz FNHHVKUSLRZARM-IBGZPJMESA-N 1 3 361.534 2.072 20 0 FEADHO CN1CC[C@H](NC(=O)NC[C@@]2([NH+](C)C)CCSC2)[C@H]1c1ccccc1 ZINC000270327393 550262312 /nfs/dbraw/zinc/26/23/12/550262312.db2.gz GZPBKCBPKZSTFS-SCTDSRPQSA-N 1 3 362.543 2.168 20 0 FEADHO C[C@H](Cn1cccn1)NCc1ccccc1C[NH2+][C@@H](C)Cn1cccn1 ZINC000270695320 550297936 /nfs/dbraw/zinc/29/79/36/550297936.db2.gz DHXXYDYTEABIOO-HDICACEKSA-N 1 3 352.486 2.436 20 0 FEADHO C[C@H](Cn1cccn1)[NH2+]Cc1ccccc1CN[C@@H](C)Cn1cccn1 ZINC000270695320 550297938 /nfs/dbraw/zinc/29/79/38/550297938.db2.gz DHXXYDYTEABIOO-HDICACEKSA-N 1 3 352.486 2.436 20 0 FEADHO CCN1CCN(CCC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272292796 550435201 /nfs/dbraw/zinc/43/52/01/550435201.db2.gz OHGRMJSGSPKWHZ-CTNGQTDRSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN(CCC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272292796 550435203 /nfs/dbraw/zinc/43/52/03/550435203.db2.gz OHGRMJSGSPKWHZ-CTNGQTDRSA-N 1 3 372.557 2.041 20 0 FEADHO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000273033013 550481360 /nfs/dbraw/zinc/48/13/60/550481360.db2.gz SMBMYSGLIZGHBD-LJQANCHMSA-N 1 3 356.445 2.123 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(OCCN(C)C)c(OC)c1 ZINC000274674231 550548764 /nfs/dbraw/zinc/54/87/64/550548764.db2.gz MFZFXBCOXFZLGX-OAHLLOKOSA-N 1 3 365.518 2.419 20 0 FEADHO CN1C(=O)CCc2cc(C[NH2+]C3CCN([C@@H]4CCC[C@@H]4O)CC3)ccc21 ZINC000274790480 550554797 /nfs/dbraw/zinc/55/47/97/550554797.db2.gz MKPOMPNZKOHRDG-UXHICEINSA-N 1 3 357.498 2.063 20 0 FEADHO CN(C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000276837988 550601547 /nfs/dbraw/zinc/60/15/47/550601547.db2.gz IKIIBMLWWSNNAU-RBUKOAKNSA-N 1 3 367.497 2.154 20 0 FEADHO CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000277546009 550682673 /nfs/dbraw/zinc/68/26/73/550682673.db2.gz UQZUMVFWYCWXQG-HXUWFJFHSA-N 1 3 374.529 2.013 20 0 FEADHO CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000277546009 550682674 /nfs/dbraw/zinc/68/26/74/550682674.db2.gz UQZUMVFWYCWXQG-HXUWFJFHSA-N 1 3 374.529 2.013 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000277784842 550713760 /nfs/dbraw/zinc/71/37/60/550713760.db2.gz MPETVDZAVYGLAX-UHFFFAOYSA-N 1 3 374.529 2.301 20 0 FEADHO CN(C)CCn1ncc(C(=O)NCC(C)(C)C[NH+](C)C)c1-c1ccccc1 ZINC000278586296 550801488 /nfs/dbraw/zinc/80/14/88/550801488.db2.gz KCBJQNYOQFMTAE-UHFFFAOYSA-N 1 3 371.529 2.429 20 0 FEADHO CCN1CCN(Cc2ccc(CNC(=O)C34CCC[NH+]3CCC4)cc2)CC1 ZINC000278922994 550836375 /nfs/dbraw/zinc/83/63/75/550836375.db2.gz RZRVVOFBFHZUER-UHFFFAOYSA-N 1 3 370.541 2.069 20 0 FEADHO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1=CCN(C)CC1 ZINC000280922804 551046049 /nfs/dbraw/zinc/04/60/49/551046049.db2.gz OJJCMTAYEPNCHA-DZFGPLHGSA-N 1 3 368.525 2.410 20 0 FEADHO C[C@H](NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1=CCN(C)CC1 ZINC000280922804 551046051 /nfs/dbraw/zinc/04/60/51/551046051.db2.gz OJJCMTAYEPNCHA-DZFGPLHGSA-N 1 3 368.525 2.410 20 0 FEADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)c1ccco1 ZINC000497376823 561499701 /nfs/dbraw/zinc/49/97/01/561499701.db2.gz ONBFRMJDEQTQIC-CVEARBPZSA-N 1 3 366.506 2.119 20 0 FEADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282191924 551192837 /nfs/dbraw/zinc/19/28/37/551192837.db2.gz GGYYJZYRKZMEBP-MRXNPFEDSA-N 1 3 362.518 2.028 20 0 FEADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000498126665 561516644 /nfs/dbraw/zinc/51/66/44/561516644.db2.gz PZJGRKLZWCBOGX-SLFFLAALSA-N 1 3 356.514 2.387 20 0 FEADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000498126665 561516645 /nfs/dbraw/zinc/51/66/45/561516645.db2.gz PZJGRKLZWCBOGX-SLFFLAALSA-N 1 3 356.514 2.387 20 0 FEADHO CC(C)[C@H](Cn1cccn1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000284289821 551516109 /nfs/dbraw/zinc/51/61/09/551516109.db2.gz XWDLNYIPUKNTHX-FQEVSTJZSA-N 1 3 356.518 2.105 20 0 FEADHO C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN(Cc4ccccc4)CCC3(F)F)C[C@H]2C1 ZINC000286919262 551940202 /nfs/dbraw/zinc/94/02/02/551940202.db2.gz CTBNAMHHLBTCPY-FGTMMUONSA-N 1 3 363.452 2.164 20 0 FEADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(Cc4ccccc4)CCC3(F)F)C[C@H]2C1 ZINC000286919262 551940204 /nfs/dbraw/zinc/94/02/04/551940204.db2.gz CTBNAMHHLBTCPY-FGTMMUONSA-N 1 3 363.452 2.164 20 0 FEADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc(-n2ccnn2)c1 ZINC000287686003 552034372 /nfs/dbraw/zinc/03/43/72/552034372.db2.gz MXYVWLPBWMUDOM-YSSFQJQWSA-N 1 3 355.486 2.296 20 0 FEADHO CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000289206963 552282927 /nfs/dbraw/zinc/28/29/27/552282927.db2.gz UZJQWPMCUVHJTE-UHFFFAOYSA-N 1 3 374.529 2.330 20 0 FEADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)C(=O)NCC2CCCC2)CC1 ZINC000501050797 561588610 /nfs/dbraw/zinc/58/86/10/561588610.db2.gz HJGUZWOUSNYUDV-UHFFFAOYSA-N 1 3 352.567 2.077 20 0 FEADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NCC3CCN(c4ccncc4)CC3)C2)C1 ZINC000292381468 552721602 /nfs/dbraw/zinc/72/16/02/552721602.db2.gz RNUXAIRTLFMBOP-FQEVSTJZSA-N 1 3 357.502 2.035 20 0 FEADHO C[N@H+]1CC[C@]2(CCN(C(=O)NCC3CCN(c4ccncc4)CC3)C2)C1 ZINC000292381468 552721603 /nfs/dbraw/zinc/72/16/03/552721603.db2.gz RNUXAIRTLFMBOP-FQEVSTJZSA-N 1 3 357.502 2.035 20 0 FEADHO COCCc1ccc(OC[C@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000293204875 552798892 /nfs/dbraw/zinc/79/88/92/552798892.db2.gz UPFRTWHPSVLWFX-HXUWFJFHSA-N 1 3 364.530 2.420 20 0 FEADHO COCCc1ccc(OC[C@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000293204875 552798894 /nfs/dbraw/zinc/79/88/94/552798894.db2.gz UPFRTWHPSVLWFX-HXUWFJFHSA-N 1 3 364.530 2.420 20 0 FEADHO C[C@@H](CN1CCC(C(=O)NCC[NH+](C)C)CC1)c1cc(F)cc(F)c1 ZINC000294741921 552930862 /nfs/dbraw/zinc/93/08/62/552930862.db2.gz HMLXUFCZMKEAEW-AWEZNQCLSA-N 1 3 353.457 2.458 20 0 FEADHO Cc1cc(F)c(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1F ZINC000294809842 552935837 /nfs/dbraw/zinc/93/58/37/552935837.db2.gz VDSYVZBXBRLMHX-UHFFFAOYSA-N 1 3 365.468 2.491 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000296282341 553134581 /nfs/dbraw/zinc/13/45/81/553134581.db2.gz UOFUUZGYLUGZRZ-YQQQUEKLSA-N 1 3 372.513 2.208 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000296282341 553134584 /nfs/dbraw/zinc/13/45/84/553134584.db2.gz UOFUUZGYLUGZRZ-YQQQUEKLSA-N 1 3 372.513 2.208 20 0 FEADHO C[C@H]1CN(c2ccccc2CNCCN2CCC([NH+](C)C)CC2)CCO1 ZINC000297343101 553280780 /nfs/dbraw/zinc/28/07/80/553280780.db2.gz DQIYNORPTGTRQW-SFHVURJKSA-N 1 3 360.546 2.027 20 0 FEADHO O=C1[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CCCN1CC(F)(F)F ZINC000297357036 553282701 /nfs/dbraw/zinc/28/27/01/553282701.db2.gz FOQALEVCFOSSQD-OAHLLOKOSA-N 1 3 356.392 2.193 20 0 FEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000503250862 561638006 /nfs/dbraw/zinc/63/80/06/561638006.db2.gz KGBFESJEFARHSC-AABGKKOBSA-N 1 3 359.514 2.003 20 0 FEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000503250862 561638007 /nfs/dbraw/zinc/63/80/07/561638007.db2.gz KGBFESJEFARHSC-AABGKKOBSA-N 1 3 359.514 2.003 20 0 FEADHO COc1ccccc1N1CC[C@@H](NC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000297615785 553316062 /nfs/dbraw/zinc/31/60/62/553316062.db2.gz KXIRNGLHTACZKA-GOSISDBHSA-N 1 3 366.465 2.454 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCCN(C)CC1 ZINC000298653407 553454676 /nfs/dbraw/zinc/45/46/76/553454676.db2.gz RTINLOQAKDYZDT-UHFFFAOYSA-N 1 3 362.518 2.254 20 0 FEADHO CS(=O)(=O)N1CCC(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000329175307 553895759 /nfs/dbraw/zinc/89/57/59/553895759.db2.gz MHGOYBWGJOTWPI-UHFFFAOYSA-N 1 3 357.564 2.045 20 0 FEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000506938752 561712173 /nfs/dbraw/zinc/71/21/73/561712173.db2.gz GJPNKYUJVWOAMQ-PKOBYXMFSA-N 1 3 374.529 2.232 20 0 FEADHO C[C@H](CNC(=O)CC1(N2CCOCC2)CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000530812928 562424871 /nfs/dbraw/zinc/42/48/71/562424871.db2.gz KXTCPWBBAPCOTQ-QZTJIDSGSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@H](CNC(=O)CC1(N2CCOCC2)CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000530812928 562424872 /nfs/dbraw/zinc/42/48/72/562424872.db2.gz KXTCPWBBAPCOTQ-QZTJIDSGSA-N 1 3 351.535 2.258 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c2)CC1 ZINC000333342316 554604376 /nfs/dbraw/zinc/60/43/76/554604376.db2.gz PXNQDZCPOGMVEX-VDGAXYAQSA-N 1 3 371.529 2.420 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CN1Cc1ccccc1 ZINC000333356691 554605604 /nfs/dbraw/zinc/60/56/04/554605604.db2.gz KKHXXLSZCZRIJR-QDGKJQRMSA-N 1 3 356.514 2.418 20 0 FEADHO [NH3+]CC1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000333429260 554612286 /nfs/dbraw/zinc/61/22/86/554612286.db2.gz UIVSCJMNNHOBIV-UHFFFAOYSA-N 1 3 354.564 2.118 20 0 FEADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000333487550 554617535 /nfs/dbraw/zinc/61/75/35/554617535.db2.gz GJDBFBIWWXWPGH-LWJCUCHCSA-N 1 3 360.546 2.266 20 0 FEADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC[C@@H]3CCCN(Cc4cccs4)C3)C[C@H]12 ZINC000333939219 554658484 /nfs/dbraw/zinc/65/84/84/554658484.db2.gz NBAWIJLJCDGTTP-CIRFHOKZSA-N 1 3 362.543 2.339 20 0 FEADHO C[C@@H](NC(=O)NCC1(N2CCSCC2)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000333948020 554659937 /nfs/dbraw/zinc/65/99/37/554659937.db2.gz VZNLDRRPGBMFFO-HZPDHXFCSA-N 1 3 354.564 2.035 20 0 FEADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000360535959 554878766 /nfs/dbraw/zinc/87/87/66/554878766.db2.gz HIOGULQKYSGJAF-NSISKUIASA-N 1 3 359.514 2.367 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc(CN(C)C)cc1 ZINC000360535959 554878769 /nfs/dbraw/zinc/87/87/69/554878769.db2.gz HIOGULQKYSGJAF-NSISKUIASA-N 1 3 359.514 2.367 20 0 FEADHO COCC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000511478555 561870349 /nfs/dbraw/zinc/87/03/49/561870349.db2.gz YABNXZPGVDJZAF-GOSISDBHSA-N 1 3 368.566 2.295 20 0 FEADHO C[C@@H]1CN(CCC(=O)Nc2cccc(F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362703950 554981827 /nfs/dbraw/zinc/98/18/27/554981827.db2.gz RXVZDYKOXGOPEI-VQIMIIECSA-N 1 3 362.493 2.112 20 0 FEADHO C(N1CCCC12CCOCC2)C1(C[N@@H+]2CCCC23CCOCC3)COC1 ZINC000363698364 555166974 /nfs/dbraw/zinc/16/69/74/555166974.db2.gz IQVZWJGTFIXHGI-UHFFFAOYSA-N 1 3 364.530 2.293 20 0 FEADHO C(N1CCCC12CCOCC2)C1(C[N@H+]2CCCC23CCOCC3)COC1 ZINC000363698364 555166976 /nfs/dbraw/zinc/16/69/76/555166976.db2.gz IQVZWJGTFIXHGI-UHFFFAOYSA-N 1 3 364.530 2.293 20 0 FEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000363822327 555193551 /nfs/dbraw/zinc/19/35/51/555193551.db2.gz KZSIOHJSQKGPDR-VURPSTOHSA-N 1 3 362.514 2.214 20 0 FEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000363822327 555193552 /nfs/dbraw/zinc/19/35/52/555193552.db2.gz KZSIOHJSQKGPDR-VURPSTOHSA-N 1 3 362.514 2.214 20 0 FEADHO C[C@H](N[C@@H]1CCN(c2ccn(C)n2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364346843 555296069 /nfs/dbraw/zinc/29/60/69/555296069.db2.gz JOOCGQURAGLGRE-DFQSSKMNSA-N 1 3 353.514 2.499 20 0 FEADHO C[C@H](N[C@@H]1CCN(c2ccn(C)n2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364346843 555296073 /nfs/dbraw/zinc/29/60/73/555296073.db2.gz JOOCGQURAGLGRE-DFQSSKMNSA-N 1 3 353.514 2.499 20 0 FEADHO Cc1cccc2nc(CCC(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)[nH]c21 ZINC000364371915 555300784 /nfs/dbraw/zinc/30/07/84/555300784.db2.gz JGUNQRLBCDJIHW-MRXNPFEDSA-N 1 3 369.513 2.089 20 0 FEADHO Cc1cccc2nc(CCC(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)[nH]c21 ZINC000364371915 555300788 /nfs/dbraw/zinc/30/07/88/555300788.db2.gz JGUNQRLBCDJIHW-MRXNPFEDSA-N 1 3 369.513 2.089 20 0 FEADHO CC(C)(O)CN1CCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000364589491 555346334 /nfs/dbraw/zinc/34/63/34/555346334.db2.gz DOAAVJPJLDQJRQ-UHFFFAOYSA-N 1 3 373.541 2.204 20 0 FEADHO CC1CC[NH+](CCCCNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000364733169 555388563 /nfs/dbraw/zinc/38/85/63/555388563.db2.gz BNUYJLKWXZJGJW-FUHIMQAGSA-N 1 3 351.535 2.147 20 0 FEADHO Cc1ccccc1OCCCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513226626 561930111 /nfs/dbraw/zinc/93/01/11/561930111.db2.gz RBZUFEBPAHWNAZ-RBUKOAKNSA-N 1 3 359.514 2.344 20 0 FEADHO CC[NH+](CC)CCSCC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000366175544 555772259 /nfs/dbraw/zinc/77/22/59/555772259.db2.gz YFDMXTKREKQNGK-MRXNPFEDSA-N 1 3 365.543 2.417 20 0 FEADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000366322583 555811538 /nfs/dbraw/zinc/81/15/38/555811538.db2.gz JSBQTINKJWIWRH-XUBOLADHSA-N 1 3 356.514 2.331 20 0 FEADHO CN(C)CCOc1cc(CNC(=O)c2ccc(CC[NH+](C)C)cc2)ccn1 ZINC000514739639 561977038 /nfs/dbraw/zinc/97/70/38/561977038.db2.gz SYQPOGRDPOUDGC-UHFFFAOYSA-N 1 3 370.497 2.056 20 0 FEADHO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CNCc2ccccc21 ZINC000515057699 561994551 /nfs/dbraw/zinc/99/45/51/561994551.db2.gz NRTFXKOMEYWAAY-LJQANCHMSA-N 1 3 357.498 2.025 20 0 FEADHO CC(C)(C)N1CC[C@](F)(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000368153684 556231619 /nfs/dbraw/zinc/23/16/19/556231619.db2.gz ULIOADMUBHMFDU-FUHIMQAGSA-N 1 3 369.525 2.083 20 0 FEADHO CN1CCC(CC(=O)NCCC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000368281865 556266977 /nfs/dbraw/zinc/26/69/77/556266977.db2.gz OZMQCALXVOJLCA-UHFFFAOYSA-N 1 3 364.578 2.031 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCO1 ZINC000368433099 556307676 /nfs/dbraw/zinc/30/76/76/556307676.db2.gz LNCOCSNIPWDTMP-QZTJIDSGSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCO1 ZINC000368433099 556307677 /nfs/dbraw/zinc/30/76/77/556307677.db2.gz LNCOCSNIPWDTMP-QZTJIDSGSA-N 1 3 351.535 2.258 20 0 FEADHO COCCOCc1ccc(C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000368554619 556343973 /nfs/dbraw/zinc/34/39/73/556343973.db2.gz CWBZELPVAMFJFD-FQEVSTJZSA-N 1 3 361.530 2.108 20 0 FEADHO C[NH+]1CCC(CNC(=O)NC2CCN(Cc3cccs3)CC2)CC1 ZINC000369047174 556488006 /nfs/dbraw/zinc/48/80/06/556488006.db2.gz KZTVCYNCVOYZPC-UHFFFAOYSA-N 1 3 350.532 2.354 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000369222435 556540032 /nfs/dbraw/zinc/54/00/32/556540032.db2.gz XRPQIYRUOLPDAY-SFHVURJKSA-N 1 3 371.529 2.220 20 0 FEADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369395626 556589403 /nfs/dbraw/zinc/58/94/03/556589403.db2.gz OJXHWHKNLHFNTN-PMACEKPBSA-N 1 3 373.545 2.277 20 0 FEADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369395626 556589404 /nfs/dbraw/zinc/58/94/04/556589404.db2.gz OJXHWHKNLHFNTN-PMACEKPBSA-N 1 3 373.545 2.277 20 0 FEADHO CCc1nnc2n1C[C@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000369442738 556601821 /nfs/dbraw/zinc/60/18/21/556601821.db2.gz ZEJQFKWFRCDOJG-DOTOQJQBSA-N 1 3 357.502 2.447 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000369481864 556608813 /nfs/dbraw/zinc/60/88/13/556608813.db2.gz LJSKFSITRKOYIS-KRWDZBQOSA-N 1 3 366.550 2.003 20 0 FEADHO CN(C)CCn1ccc(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)n1 ZINC000516192902 562035247 /nfs/dbraw/zinc/03/52/47/562035247.db2.gz MCEQBRYJDWDZGV-HXUWFJFHSA-N 1 3 369.513 2.085 20 0 FEADHO CN(C)CCn1ccc(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)n1 ZINC000516192902 562035248 /nfs/dbraw/zinc/03/52/48/562035248.db2.gz MCEQBRYJDWDZGV-HXUWFJFHSA-N 1 3 369.513 2.085 20 0 FEADHO O=C(N[C@H]1CCCN(C2CCCCC2)C1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000369562823 556632124 /nfs/dbraw/zinc/63/21/24/556632124.db2.gz VRGCLFQDAKOHCM-FUHWJXTLSA-N 1 3 359.518 2.335 20 0 FEADHO CO[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000516261649 562038005 /nfs/dbraw/zinc/03/80/05/562038005.db2.gz XJXUWMYUTPLMOA-HSALFYBXSA-N 1 3 374.529 2.189 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000369769357 556689667 /nfs/dbraw/zinc/68/96/67/556689667.db2.gz JAYZLFNSRHZAMR-FQEVSTJZSA-N 1 3 356.514 2.139 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000369769357 556689669 /nfs/dbraw/zinc/68/96/69/556689669.db2.gz JAYZLFNSRHZAMR-FQEVSTJZSA-N 1 3 356.514 2.139 20 0 FEADHO CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000369856971 556713724 /nfs/dbraw/zinc/71/37/24/556713724.db2.gz DVXYEBGKOCZLFN-PIKOESSRSA-N 1 3 356.514 2.482 20 0 FEADHO CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000369856971 556713726 /nfs/dbraw/zinc/71/37/26/556713726.db2.gz DVXYEBGKOCZLFN-PIKOESSRSA-N 1 3 356.514 2.482 20 0 FEADHO C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000369860979 556714716 /nfs/dbraw/zinc/71/47/16/556714716.db2.gz RGQMVEAVGOGULH-DFQSSKMNSA-N 1 3 354.498 2.260 20 0 FEADHO [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000369990971 556750725 /nfs/dbraw/zinc/75/07/25/556750725.db2.gz LHHUESMWAQPFAK-DZGCQCFKSA-N 1 3 372.391 2.062 20 0 FEADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000370090747 556777917 /nfs/dbraw/zinc/77/79/17/556777917.db2.gz SIBOCUCQUNQAED-OALUTQOASA-N 1 3 364.578 2.031 20 0 FEADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000370090747 556777920 /nfs/dbraw/zinc/77/79/20/556777920.db2.gz SIBOCUCQUNQAED-OALUTQOASA-N 1 3 364.578 2.031 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000370461109 556879648 /nfs/dbraw/zinc/87/96/48/556879648.db2.gz CUMWXDGIIOCCBX-BEFAXECRSA-N 1 3 357.502 2.175 20 0 FEADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cccc(N2CCOC2=O)c1 ZINC000370635622 556926731 /nfs/dbraw/zinc/92/67/31/556926731.db2.gz PPYMZJVJYNOMIL-AEFFLSMTSA-N 1 3 372.513 2.462 20 0 FEADHO CCN1CCc2c(cccc2NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000370703037 556944879 /nfs/dbraw/zinc/94/48/79/556944879.db2.gz VGOGKQDEBNSNHH-UHFFFAOYSA-N 1 3 374.529 2.238 20 0 FEADHO CN(CCNC(=O)CC1([NH+]2CCOCC2)CCCC1)Cc1ccccc1 ZINC000516994989 562069955 /nfs/dbraw/zinc/06/99/55/562069955.db2.gz PWKIESOAVSTKBD-UHFFFAOYSA-N 1 3 359.514 2.270 20 0 FEADHO CN1CCC[C@H](CNC(=O)COC2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000517932883 562101013 /nfs/dbraw/zinc/10/10/13/562101013.db2.gz TUTBZYTYNSBTOE-KDOFPFPSSA-N 1 3 351.516 2.016 20 0 FEADHO COCC[N@H+](C)CCCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000518403926 562110773 /nfs/dbraw/zinc/11/07/73/562110773.db2.gz YORQISSWYJBLME-HKUYNNGSSA-N 1 3 362.518 2.089 20 0 FEADHO COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000518403926 562110774 /nfs/dbraw/zinc/11/07/74/562110774.db2.gz YORQISSWYJBLME-HKUYNNGSSA-N 1 3 362.518 2.089 20 0 FEADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000518535788 562113936 /nfs/dbraw/zinc/11/39/36/562113936.db2.gz NJMZFEIFZLOGED-IRXDYDNUSA-N 1 3 366.509 2.374 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@H]3CCCCO3)CC2)CC1 ZINC000518996727 562122846 /nfs/dbraw/zinc/12/28/46/562122846.db2.gz BUKUWRLBCDXRHM-IBGZPJMESA-N 1 3 351.535 2.258 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCC[C@@H](N)C3)CC2)cc1 ZINC000518994656 562122920 /nfs/dbraw/zinc/12/29/20/562122920.db2.gz CAIFVFQHWPTAQJ-NVXWUHKLSA-N 1 3 351.516 2.008 20 0 FEADHO C[C@H](C(=O)NCC1CCCCC1)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372364346 557450901 /nfs/dbraw/zinc/45/09/01/557450901.db2.gz FCXGBKIWEKWWNJ-XLIONFOSSA-N 1 3 364.578 2.172 20 0 FEADHO C[C@H](C(=O)NCC1CCCCC1)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372364347 557450969 /nfs/dbraw/zinc/45/09/69/557450969.db2.gz FCXGBKIWEKWWNJ-YLJYHZDGSA-N 1 3 364.578 2.172 20 0 FEADHO Cc1ccccc1CN(C)C(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372366241 557451217 /nfs/dbraw/zinc/45/12/17/557451217.db2.gz AVOYUIBSRQHPQM-OAQYLSRUSA-N 1 3 372.557 2.054 20 0 FEADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000372460879 557476664 /nfs/dbraw/zinc/47/66/64/557476664.db2.gz VYCMCOFOYWTSJS-UHFFFAOYSA-N 1 3 373.545 2.214 20 0 FEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000372665541 557533046 /nfs/dbraw/zinc/53/30/46/557533046.db2.gz MKFQGYOMEFTSLD-SFHVURJKSA-N 1 3 351.535 2.258 20 0 FEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000372665541 557533049 /nfs/dbraw/zinc/53/30/49/557533049.db2.gz MKFQGYOMEFTSLD-SFHVURJKSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@H]1C[C@@H](NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC[N@@H+]1C ZINC000519825527 562145645 /nfs/dbraw/zinc/14/56/45/562145645.db2.gz VEMYZQPKPIXJNS-RDJZCZTQSA-N 1 3 358.486 2.214 20 0 FEADHO C[C@H]1C[C@@H](NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC[N@H+]1C ZINC000519825527 562145646 /nfs/dbraw/zinc/14/56/46/562145646.db2.gz VEMYZQPKPIXJNS-RDJZCZTQSA-N 1 3 358.486 2.214 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000521663796 562181707 /nfs/dbraw/zinc/18/17/07/562181707.db2.gz KGHBTZIJAAXBHH-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000521663796 562181708 /nfs/dbraw/zinc/18/17/08/562181708.db2.gz KGHBTZIJAAXBHH-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000377112917 558269071 /nfs/dbraw/zinc/26/90/71/558269071.db2.gz HXBXZBJEBBTNJN-MAUKXSAKSA-N 1 3 367.534 2.211 20 0 FEADHO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC2CC[NH+](C3CCCC3)CC2)C1 ZINC000377112917 558269073 /nfs/dbraw/zinc/26/90/73/558269073.db2.gz HXBXZBJEBBTNJN-MAUKXSAKSA-N 1 3 367.534 2.211 20 0 FEADHO CN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000522638887 562200808 /nfs/dbraw/zinc/20/08/08/562200808.db2.gz KRXXAODOVXGVMK-NRFANRHFSA-N 1 3 370.541 2.141 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)CC1 ZINC000378529194 558575923 /nfs/dbraw/zinc/57/59/23/558575923.db2.gz MRNQZWSCWACVHL-MOPGFXCFSA-N 1 3 350.551 2.480 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(N(C)C)c(F)c1 ZINC000523748833 562219024 /nfs/dbraw/zinc/21/90/24/562219024.db2.gz LNZKGLULSVYIHZ-QGZVFWFLSA-N 1 3 364.509 2.380 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(N(C)C)c(F)c1 ZINC000523748833 562219025 /nfs/dbraw/zinc/21/90/25/562219025.db2.gz LNZKGLULSVYIHZ-QGZVFWFLSA-N 1 3 364.509 2.380 20 0 FEADHO C[C@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000524077068 562223703 /nfs/dbraw/zinc/22/37/03/562223703.db2.gz OYDUEIKNVKPVHF-ZWKOTPCHSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000524077068 562223704 /nfs/dbraw/zinc/22/37/04/562223704.db2.gz OYDUEIKNVKPVHF-ZWKOTPCHSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000524516607 562229782 /nfs/dbraw/zinc/22/97/82/562229782.db2.gz BFLOJJGKUBZTJN-FGTMMUONSA-N 1 3 368.566 2.105 20 0 FEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000524516607 562229783 /nfs/dbraw/zinc/22/97/83/562229783.db2.gz BFLOJJGKUBZTJN-FGTMMUONSA-N 1 3 368.566 2.105 20 0 FEADHO Cc1cc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)ccc1CN(C)C ZINC000411171317 558848175 /nfs/dbraw/zinc/84/81/75/558848175.db2.gz WMACBIKQNMPPTL-UHFFFAOYSA-N 1 3 372.513 2.082 20 0 FEADHO CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(OC)cc1 ZINC000525449578 562248353 /nfs/dbraw/zinc/24/83/53/562248353.db2.gz NGVKCHFSQBGQFZ-GOSISDBHSA-N 1 3 350.507 2.281 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@H]2C)ccc1C[NH+](C)C ZINC000411221889 558855648 /nfs/dbraw/zinc/85/56/48/558855648.db2.gz FQSLXHFOGODSBI-IAGOWNOFSA-N 1 3 374.529 2.374 20 0 FEADHO Cc1cc(NC[C@@H]2CN(C)CCN2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000525357628 562246648 /nfs/dbraw/zinc/24/66/48/562246648.db2.gz VGCJFCFWDUQVFS-CYBMUJFWSA-N 1 3 350.413 2.224 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)ccc1CN(C)C ZINC000411356128 558883887 /nfs/dbraw/zinc/88/38/87/558883887.db2.gz LBEPJTWHTLRQJV-QGZVFWFLSA-N 1 3 374.529 2.376 20 0 FEADHO CO[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(Cl)c1 ZINC000525817345 562256143 /nfs/dbraw/zinc/25/61/43/562256143.db2.gz IZAOCYSLZKRABB-QGZVFWFLSA-N 1 3 370.925 2.162 20 0 FEADHO COC(=O)c1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000526134110 562267995 /nfs/dbraw/zinc/26/79/95/562267995.db2.gz BMKARSXHIKEQFI-UHFFFAOYSA-N 1 3 370.881 2.084 20 0 FEADHO CC[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)N(C)C ZINC000413634978 559121675 /nfs/dbraw/zinc/12/16/75/559121675.db2.gz NMCYBXUEGULJAQ-QYZOEREBSA-N 1 3 352.567 2.122 20 0 FEADHO CC[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)N(C)C ZINC000413634978 559121677 /nfs/dbraw/zinc/12/16/77/559121677.db2.gz NMCYBXUEGULJAQ-QYZOEREBSA-N 1 3 352.567 2.122 20 0 FEADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000413973998 559144450 /nfs/dbraw/zinc/14/44/50/559144450.db2.gz FHKGBWBGFBFDGJ-NHCUHLMSSA-N 1 3 373.541 2.372 20 0 FEADHO CN1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000414307868 559155526 /nfs/dbraw/zinc/15/55/26/559155526.db2.gz PPHBPYNLOWPVGA-HKBOAZHASA-N 1 3 357.542 2.476 20 0 FEADHO OC1(C[NH2+]C2CCN(CC(F)F)CC2)CCN(Cc2ccccc2)CC1 ZINC000414313587 559155844 /nfs/dbraw/zinc/15/58/44/559155844.db2.gz YRDYPRWKJQKXIQ-UHFFFAOYSA-N 1 3 367.484 2.333 20 0 FEADHO CN1CCC(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)(N2CCOCC2)CC1 ZINC000414481450 559167786 /nfs/dbraw/zinc/16/77/86/559167786.db2.gz KQGUJCPNZZGXKF-UHFFFAOYSA-N 1 3 360.477 2.193 20 0 FEADHO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNC2)[NH+]1CCCCCC1 ZINC000414685137 559179530 /nfs/dbraw/zinc/17/95/30/559179530.db2.gz YCYKWKFOTDWMFN-IBGZPJMESA-N 1 3 372.513 2.245 20 0 FEADHO Cc1cccc(C)c1NC(=O)CN1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414727650 559182461 /nfs/dbraw/zinc/18/24/61/559182461.db2.gz BISJFOGFURBELO-RTBURBONSA-N 1 3 358.530 2.248 20 0 FEADHO C[C@H]1C[C@H](CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)CC[NH2+]1 ZINC000414750428 559184644 /nfs/dbraw/zinc/18/46/44/559184644.db2.gz QVEXNSGJYFXFCM-JKSUJKDBSA-N 1 3 354.516 2.179 20 0 FEADHO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414759682 559185905 /nfs/dbraw/zinc/18/59/05/559185905.db2.gz OVUWZTWLTFAQNV-AWEZNQCLSA-N 1 3 373.419 2.213 20 0 FEADHO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414759682 559185906 /nfs/dbraw/zinc/18/59/06/559185906.db2.gz OVUWZTWLTFAQNV-AWEZNQCLSA-N 1 3 373.419 2.213 20 0 FEADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)NC[C@@H](C)C[NH3+] ZINC000414874123 559192081 /nfs/dbraw/zinc/19/20/81/559192081.db2.gz ICWJUINCGUDPPI-WDEREUQCSA-N 1 3 355.504 2.443 20 0 FEADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN ZINC000414874123 559192082 /nfs/dbraw/zinc/19/20/82/559192082.db2.gz ICWJUINCGUDPPI-WDEREUQCSA-N 1 3 355.504 2.443 20 0 FEADHO CCOc1cc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1OC ZINC000414966726 559197606 /nfs/dbraw/zinc/19/76/06/559197606.db2.gz DSGNZKACGZSGOS-MRXNPFEDSA-N 1 3 361.408 2.020 20 0 FEADHO Cn1cc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(-c2ccccc2)n1 ZINC000414995784 559199449 /nfs/dbraw/zinc/19/94/49/559199449.db2.gz WKIKGZMVROBNEH-INIZCTEOSA-N 1 3 367.419 2.013 20 0 FEADHO CC1(C)CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CCN1 ZINC000415067024 559203487 /nfs/dbraw/zinc/20/34/87/559203487.db2.gz JWJMEVHUWAAMED-UHFFFAOYSA-N 1 3 362.543 2.494 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000415121606 559206418 /nfs/dbraw/zinc/20/64/18/559206418.db2.gz MWHUPBKFFDVXCI-INIZCTEOSA-N 1 3 360.502 2.115 20 0 FEADHO Cc1ccc(NC(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000415198588 559214114 /nfs/dbraw/zinc/21/41/14/559214114.db2.gz COPDBBRDTGQQFC-HOCLYGCPSA-N 1 3 364.490 2.170 20 0 FEADHO CCCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415233448 559217040 /nfs/dbraw/zinc/21/70/40/559217040.db2.gz VWYUQOUTXWCLHU-UHFFFAOYSA-N 1 3 374.529 2.459 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000415580359 559252157 /nfs/dbraw/zinc/25/21/57/559252157.db2.gz LWCSMJSJLUERDV-QXAKKESOSA-N 1 3 372.513 2.053 20 0 FEADHO C[C@@]1(CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CCC[NH2+]C1 ZINC000415580086 559252197 /nfs/dbraw/zinc/25/21/97/559252197.db2.gz LIJQYBLLRPKKTP-OAQYLSRUSA-N 1 3 372.513 2.117 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000415724412 559265312 /nfs/dbraw/zinc/26/53/12/559265312.db2.gz MRJDUSHEZOKQDJ-UHFFFAOYSA-N 1 3 374.529 2.363 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(N)ccc1F ZINC000415908705 559282052 /nfs/dbraw/zinc/28/20/52/559282052.db2.gz VILMBHTWZIRSQY-OAHLLOKOSA-N 1 3 351.470 2.288 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(N)ccc1F ZINC000415908705 559282053 /nfs/dbraw/zinc/28/20/53/559282053.db2.gz VILMBHTWZIRSQY-OAHLLOKOSA-N 1 3 351.470 2.288 20 0 FEADHO C[NH2+]Cc1ccccc1NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000415929211 559283016 /nfs/dbraw/zinc/28/30/16/559283016.db2.gz YTQIIMMTPVAVQH-IBGZPJMESA-N 1 3 368.481 2.294 20 0 FEADHO [NH3+]CCOc1ccc(NC(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000415949436 559283926 /nfs/dbraw/zinc/28/39/26/559283926.db2.gz WJANNZFEBALWKO-UHFFFAOYSA-N 1 3 369.469 2.457 20 0 FEADHO C[C@@H](CO)N1CCCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415974117 559286157 /nfs/dbraw/zinc/28/61/57/559286157.db2.gz RLXGRHLXBJINNF-LBPRGKRZSA-N 1 3 374.407 2.085 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416018966 559289444 /nfs/dbraw/zinc/28/94/44/559289444.db2.gz ZNDAGCFUVGPJBX-KBMXLJTQSA-N 1 3 372.435 2.476 20 0 FEADHO C[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[C@H]1N1CCN(C)CC1 ZINC000416184694 559296957 /nfs/dbraw/zinc/29/69/57/559296957.db2.gz PWMSHTXEXOPILR-NRSPTQNISA-N 1 3 372.557 2.164 20 0 FEADHO COc1ccc([C@H](CNC(=O)NCC2=CC[NH2+]CC2)N2CCCC2)cc1 ZINC000416813398 559333465 /nfs/dbraw/zinc/33/34/65/559333465.db2.gz FFVCNKKKQRUDFH-IBGZPJMESA-N 1 3 358.486 2.051 20 0 FEADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000416836949 559334432 /nfs/dbraw/zinc/33/44/32/559334432.db2.gz HBRHXKFNRDXSKR-VQTJNVASSA-N 1 3 356.514 2.292 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000416843128 559334907 /nfs/dbraw/zinc/33/49/07/559334907.db2.gz OGJXSONMADPLGW-LJQANCHMSA-N 1 3 358.530 2.335 20 0 FEADHO O=C(NCc1ccccc1CN1CCCCC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000416901824 559337279 /nfs/dbraw/zinc/33/72/79/559337279.db2.gz KNOIWWAEBQGPKU-PMACEKPBSA-N 1 3 356.514 2.423 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)c1cccc(OC)c1 ZINC000416905546 559337457 /nfs/dbraw/zinc/33/74/57/559337457.db2.gz GEVQIEHZARYOGP-HHXXYDBFSA-N 1 3 362.518 2.457 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1cccc(OC)c1 ZINC000416905723 559337486 /nfs/dbraw/zinc/33/74/86/559337486.db2.gz GRDGPCDZNPHJFN-CTNGQTDRSA-N 1 3 374.529 2.473 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]1C[NH2+]C)c1cccc(OC)c1 ZINC000416927953 559338879 /nfs/dbraw/zinc/33/88/79/559338879.db2.gz UADZCVXPQRJEBK-HKUYNNGSSA-N 1 3 362.518 2.472 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)c1cccc(OC)c1 ZINC000416930551 559338938 /nfs/dbraw/zinc/33/89/38/559338938.db2.gz YOTKJHYSDSLWBF-MJGOQNOKSA-N 1 3 362.518 2.472 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000417019845 559344231 /nfs/dbraw/zinc/34/42/31/559344231.db2.gz RISVTOSMIIIVNB-AQNXPRMDSA-N 1 3 356.514 2.217 20 0 FEADHO C[C@@H]1CCC[C@](CNC(=O)NCCCNCc2cccnc2)([NH+](C)C)C1 ZINC000417218962 559353561 /nfs/dbraw/zinc/35/35/61/559353561.db2.gz UTLVBOMZHHVNTO-XLIONFOSSA-N 1 3 361.534 2.371 20 0 FEADHO COc1ccc(C[NH+]2CCC(CNC(=O)N3CCN[C@@H](C)[C@H]3C)CC2)cc1 ZINC000417330786 559357929 /nfs/dbraw/zinc/35/79/29/559357929.db2.gz LJUQUVXCSORBDA-DLBZAZTESA-N 1 3 374.529 2.299 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3CC[C@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000417338929 559358192 /nfs/dbraw/zinc/35/81/92/559358192.db2.gz ZPRYCZDZTBJBDX-LPHOPBHVSA-N 1 3 374.529 2.286 20 0 FEADHO C[C@@H]1NCCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@H]1C ZINC000417380480 559360038 /nfs/dbraw/zinc/36/00/38/559360038.db2.gz KLIZVWSYHSCAMH-GJZGRUSLSA-N 1 3 350.532 2.352 20 0 FEADHO COc1cc(NC(=O)N2CCN(C)CC[C@@H]2C)ccc1OCC[NH+](C)C ZINC000417677896 559372082 /nfs/dbraw/zinc/37/20/82/559372082.db2.gz FWTZMAJSOGLMDH-HNNXBMFYSA-N 1 3 364.490 2.194 20 0 FEADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000417692029 559372850 /nfs/dbraw/zinc/37/28/50/559372850.db2.gz XTTPIXMRMIJBGD-VQIMIIECSA-N 1 3 358.530 2.368 20 0 FEADHO CN1CCC[C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1cccs1 ZINC000417733875 559374574 /nfs/dbraw/zinc/37/45/74/559374574.db2.gz JDOVXYCRXOLGAZ-XLMAVXFVSA-N 1 3 362.543 2.382 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000417827659 559378007 /nfs/dbraw/zinc/37/80/07/559378007.db2.gz DOOYQXWJDSOBSN-VBSBHUPXSA-N 1 3 356.514 2.290 20 0 FEADHO CN(C)[C@]1(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCSC1 ZINC000417828243 559378112 /nfs/dbraw/zinc/37/81/12/559378112.db2.gz OQTYYYYIMXWDDI-WMZOPIPTSA-N 1 3 350.532 2.203 20 0 FEADHO CO[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417837821 559378649 /nfs/dbraw/zinc/37/86/49/559378649.db2.gz MPQFGYUGGUXCRH-VBSBHUPXSA-N 1 3 374.529 2.187 20 0 FEADHO C[NH+](C)CCc1ccc(CNC(=O)NC[C@@H]2NCCc3ccccc32)cc1 ZINC000418061959 559388692 /nfs/dbraw/zinc/38/86/92/559388692.db2.gz YNXKAMNEIUIDNY-NRFANRHFSA-N 1 3 366.509 2.477 20 0 FEADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418077694 559389248 /nfs/dbraw/zinc/38/92/48/559389248.db2.gz UKKWURBWGOBOKV-RTBURBONSA-N 1 3 362.518 2.094 20 0 FEADHO CO[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)[C@@H](C[NH3+])C1 ZINC000418190936 559393496 /nfs/dbraw/zinc/39/34/96/559393496.db2.gz WSXQJMWCINMMBD-YWTNHNAXSA-N 1 3 362.518 2.134 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)N(C)C)cc1 ZINC000418233725 559394856 /nfs/dbraw/zinc/39/48/56/559394856.db2.gz OYFWNCPETOKWFF-JQFCIGGWSA-N 1 3 350.532 2.390 20 0 FEADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000418236823 559394970 /nfs/dbraw/zinc/39/49/70/559394970.db2.gz CAVIFNOWGVPQCZ-RBUKOAKNSA-N 1 3 356.514 2.435 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NC2(C)CC[NH2+]CC2)N(C)C)cc1 ZINC000418236724 559395100 /nfs/dbraw/zinc/39/51/00/559395100.db2.gz VADDCHRGGJDERO-INIZCTEOSA-N 1 3 350.532 2.453 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418333186 559397880 /nfs/dbraw/zinc/39/78/80/559397880.db2.gz GLFKKJSWDHQKSQ-PKOBYXMFSA-N 1 3 359.518 2.077 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418348567 559398589 /nfs/dbraw/zinc/39/85/89/559398589.db2.gz OPQRTPAGGJDEBL-INIZCTEOSA-N 1 3 350.482 2.289 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000418354845 559398780 /nfs/dbraw/zinc/39/87/80/559398780.db2.gz WRFBBLUUACRNOM-SJLPKXTDSA-N 1 3 362.518 2.157 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000418429559 559401151 /nfs/dbraw/zinc/40/11/51/559401151.db2.gz QLCIFNGVJDCVIW-MJGOQNOKSA-N 1 3 362.518 2.286 20 0 FEADHO O=C(NCC1=CC[NH2+]CC1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418536977 559405176 /nfs/dbraw/zinc/40/51/76/559405176.db2.gz HUMUMUJBHXJVSW-OAQYLSRUSA-N 1 3 354.498 2.214 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418546341 559405478 /nfs/dbraw/zinc/40/54/78/559405478.db2.gz GZUXGIYNRDZHSN-OAHLLOKOSA-N 1 3 354.445 2.180 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)CC[NH2+]1 ZINC000418597379 559407361 /nfs/dbraw/zinc/40/73/61/559407361.db2.gz HOXOHBGHWMIZAI-VBSBHUPXSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418605254 559407495 /nfs/dbraw/zinc/40/74/95/559407495.db2.gz YMHHQPYQGGJEMJ-GTAWCEEGSA-N 1 3 356.514 2.148 20 0 FEADHO C[C@H](CCC[NH3+])NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418681397 559411087 /nfs/dbraw/zinc/41/10/87/559411087.db2.gz DEYKATVIRTXTDP-ZACQAIPSSA-N 1 3 354.539 2.035 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418708170 559411972 /nfs/dbraw/zinc/41/19/72/559411972.db2.gz CCMVKYMRBADRAT-FUHWJXTLSA-N 1 3 350.482 2.416 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418786811 559416084 /nfs/dbraw/zinc/41/60/84/559416084.db2.gz IKIHUBBQZPEAIH-JENIJYKNSA-N 1 3 362.493 2.287 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418789305 559416239 /nfs/dbraw/zinc/41/62/39/559416239.db2.gz KUNYEHZUWKNHFU-YESZJQIVSA-N 1 3 350.532 2.209 20 0 FEADHO COc1cc(OC)cc(N2CC[C@@H](N(C)CC[C@H]3CCC[NH2+]C3)C2=O)c1 ZINC000420307126 559479582 /nfs/dbraw/zinc/47/95/82/559479582.db2.gz REBHUJVBYIJIMJ-DNVCBOLYSA-N 1 3 361.486 2.131 20 0 FEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H](Cn3nc(C)nc3C)C2)cc1 ZINC000420309095 559479731 /nfs/dbraw/zinc/47/97/31/559479731.db2.gz DKORVPWQMOZFJJ-PKOBYXMFSA-N 1 3 357.502 2.358 20 0 FEADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)cc1 ZINC000420309095 559479732 /nfs/dbraw/zinc/47/97/32/559479732.db2.gz DKORVPWQMOZFJJ-PKOBYXMFSA-N 1 3 357.502 2.358 20 0 FEADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)cc1 ZINC000420309095 559479733 /nfs/dbraw/zinc/47/97/33/559479733.db2.gz DKORVPWQMOZFJJ-PKOBYXMFSA-N 1 3 357.502 2.358 20 0 FEADHO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420340482 559481839 /nfs/dbraw/zinc/48/18/39/559481839.db2.gz PMDZCKDPANCKPK-OAGGEKHMSA-N 1 3 359.470 2.106 20 0 FEADHO CCCCOc1cccc(CNC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420341884 559481906 /nfs/dbraw/zinc/48/19/06/559481906.db2.gz QNXYEYIKDREWHE-KDURUIRLSA-N 1 3 359.514 2.413 20 0 FEADHO CC(C)OCc1ccc(CNC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420346320 559482206 /nfs/dbraw/zinc/48/22/06/559482206.db2.gz WHUCPGQYCTXHCR-BGYRXZFFSA-N 1 3 359.514 2.159 20 0 FEADHO NCc1cn([C@@H]2CCC[N@H+](CCCc3nc(-c4cccs4)no3)C2)nn1 ZINC000420381300 559484086 /nfs/dbraw/zinc/48/40/86/559484086.db2.gz OQEJWYXIDAYNSW-CQSZACIVSA-N 1 3 373.486 2.118 20 0 FEADHO NCc1cn([C@@H]2CCC[N@@H+](CCCc3nc(-c4cccs4)no3)C2)nn1 ZINC000420381300 559484087 /nfs/dbraw/zinc/48/40/87/559484087.db2.gz OQEJWYXIDAYNSW-CQSZACIVSA-N 1 3 373.486 2.118 20 0 FEADHO COC(=O)c1ccccc1OCCN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420387812 559484668 /nfs/dbraw/zinc/48/46/68/559484668.db2.gz WNAHAPXRIVFDMC-IEBWSBKVSA-N 1 3 362.470 2.070 20 0 FEADHO Cc1ccccc1CCCN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420401601 559485791 /nfs/dbraw/zinc/48/57/91/559485791.db2.gz LEDAQEPYOSXAPR-VQTJNVASSA-N 1 3 356.514 2.148 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(C(=O)[C@@H](c3ccccc3)N(C)C)CC2)CC1 ZINC000422024930 559561329 /nfs/dbraw/zinc/56/13/29/559561329.db2.gz RPBUZIREUXOPSA-OAQYLSRUSA-N 1 3 372.557 2.308 20 0 FEADHO CCN1CCC([N@H+]2CCCN(C(=O)[C@@H](c3ccccc3)N(C)C)CC2)CC1 ZINC000422024930 559561330 /nfs/dbraw/zinc/56/13/30/559561330.db2.gz RPBUZIREUXOPSA-OAQYLSRUSA-N 1 3 372.557 2.308 20 0 FEADHO CC(C)(CC[NH3+])NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000422593775 559596877 /nfs/dbraw/zinc/59/68/77/559596877.db2.gz GVFAAOXZFIBJED-UHFFFAOYSA-N 1 3 354.539 2.227 20 0 FEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000422707570 559603722 /nfs/dbraw/zinc/60/37/22/559603722.db2.gz HQEANGNBNXUFLT-CVDCTZTESA-N 1 3 366.553 2.482 20 0 FEADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000422707570 559603723 /nfs/dbraw/zinc/60/37/23/559603723.db2.gz HQEANGNBNXUFLT-CVDCTZTESA-N 1 3 366.553 2.482 20 0 FEADHO CN1CCN(c2ncccc2CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422709744 559603728 /nfs/dbraw/zinc/60/37/28/559603728.db2.gz DVZJRDRDFBHJJB-XUVXKRRUSA-N 1 3 357.546 2.234 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422739428 559605008 /nfs/dbraw/zinc/60/50/08/559605008.db2.gz LGKNQMQCUSJDHP-CRAIPNDOSA-N 1 3 353.532 2.122 20 0 FEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000422755300 559605525 /nfs/dbraw/zinc/60/55/25/559605525.db2.gz BBUPHHSYIQNASF-PKOBYXMFSA-N 1 3 365.543 2.468 20 0 FEADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)C[C@H]3COCCN3)CC2)cc1 ZINC000422779079 559606265 /nfs/dbraw/zinc/60/62/65/559606265.db2.gz ILGZLIIHVYCYAM-PXNSSMCTSA-N 1 3 361.530 2.264 20 0 FEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000422786488 559606629 /nfs/dbraw/zinc/60/66/29/559606629.db2.gz OZQTVCRKOGNQHH-HOTGVXAUSA-N 1 3 350.507 2.142 20 0 FEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000422804782 559607038 /nfs/dbraw/zinc/60/70/38/559607038.db2.gz FQFCJKOZDDEYKB-ZHPHXZAZSA-N 1 3 361.530 2.138 20 0 FEADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422831970 559607817 /nfs/dbraw/zinc/60/78/17/559607817.db2.gz XBUHXOASQBVTRL-KCQAQPDRSA-N 1 3 369.893 2.328 20 0 FEADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000422831970 559607818 /nfs/dbraw/zinc/60/78/18/559607818.db2.gz XBUHXOASQBVTRL-KCQAQPDRSA-N 1 3 369.893 2.328 20 0 FEADHO COc1cc2[nH]c(CCC[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)cc2c(OC)c1 ZINC000422869123 559609183 /nfs/dbraw/zinc/60/91/83/559609183.db2.gz WDZKHHBAFABSBJ-JEBQAFNWSA-N 1 3 361.486 2.460 20 0 FEADHO OCCOc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422943090 559612393 /nfs/dbraw/zinc/61/23/93/559612393.db2.gz JZXBNGXJLNVGML-TZIWHRDSSA-N 1 3 354.450 2.403 20 0 FEADHO OCC1CC[NH+](Cc2cccc(N[C@H](C3CC3)[C@H]3CNCCO3)c2)CC1 ZINC000422983601 559613925 /nfs/dbraw/zinc/61/39/25/559613925.db2.gz UFKPGIWTDBAEEM-NHCUHLMSSA-N 1 3 359.514 2.070 20 0 FEADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000423045623 559616321 /nfs/dbraw/zinc/61/63/21/559616321.db2.gz CJYHRYKCDIDFSC-HZPDHXFCSA-N 1 3 355.479 2.115 20 0 FEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000423082455 559618047 /nfs/dbraw/zinc/61/80/47/559618047.db2.gz WUMNWXXXJNSKET-QAPCUYQASA-N 1 3 367.559 2.127 20 0 FEADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)OCCCO2 ZINC000423388881 559627511 /nfs/dbraw/zinc/62/75/11/559627511.db2.gz NBEOCWMBVWBACC-DYVFJYSZSA-N 1 3 373.419 2.335 20 0 FEADHO C[C@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)N(C)Cc1ccccc1 ZINC000423413528 559628307 /nfs/dbraw/zinc/62/83/07/559628307.db2.gz ZJJROXJWPDUFCN-APWZRJJASA-N 1 3 355.486 2.058 20 0 FEADHO Cn1ncc2c1CCC[C@@H]2NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423541880 559631519 /nfs/dbraw/zinc/63/15/19/559631519.db2.gz BBZIITHEGOHMLL-IBGZPJMESA-N 1 3 353.514 2.381 20 0 FEADHO CN(C)C[C@@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccc(Cl)cc1 ZINC000423782284 559639168 /nfs/dbraw/zinc/63/91/68/559639168.db2.gz YUDSXCIVZMKPKG-SUMWQHHRSA-N 1 3 361.877 2.173 20 0 FEADHO C[C@@H]1C[C@@H](CCNC(=O)[C@H](N)C2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000423905860 559644939 /nfs/dbraw/zinc/64/49/39/559644939.db2.gz PSAQIKHNCCYUOT-YVWKXTFCSA-N 1 3 359.514 2.157 20 0 FEADHO C[C@@H]1C[C@@H](CCNC(=O)[C@H](N)C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000423905860 559644940 /nfs/dbraw/zinc/64/49/40/559644940.db2.gz PSAQIKHNCCYUOT-YVWKXTFCSA-N 1 3 359.514 2.157 20 0 FEADHO Cc1cccc(OCCCNC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424292925 559660795 /nfs/dbraw/zinc/66/07/95/559660795.db2.gz OVYSTGKTBLVGAF-SFHVURJKSA-N 1 3 359.514 2.344 20 0 FEADHO CCOCc1ccccc1CNC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424299868 559661032 /nfs/dbraw/zinc/66/10/32/559661032.db2.gz WBKRIPITXYDASL-KRWDZBQOSA-N 1 3 359.514 2.303 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)NCC2CC[NH+](CCC(C)C)CC2)c1 ZINC000424452836 559665598 /nfs/dbraw/zinc/66/55/98/559665598.db2.gz JKKVYIIYYSOEHK-UHFFFAOYSA-N 1 3 374.529 2.267 20 0 FEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000426763324 559741514 /nfs/dbraw/zinc/74/15/14/559741514.db2.gz ATQBSSYWDPCXRU-LJQANCHMSA-N 1 3 360.546 2.435 20 0 FEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000426763324 559741515 /nfs/dbraw/zinc/74/15/15/559741515.db2.gz ATQBSSYWDPCXRU-LJQANCHMSA-N 1 3 360.546 2.435 20 0 FEADHO NC(=O)C1CCN(Cc2cccc(NC(=O)C[C@H]3CCC[NH2+]CC3)c2)CC1 ZINC000427298878 559752662 /nfs/dbraw/zinc/75/26/62/559752662.db2.gz HOIHXVQAMZLAJC-INIZCTEOSA-N 1 3 372.513 2.102 20 0 FEADHO CC(C)OCc1cccc(CNC(=O)CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431040807 559833054 /nfs/dbraw/zinc/83/30/54/559833054.db2.gz YGAZMQONYGHRKP-UHFFFAOYSA-N 1 3 359.514 2.303 20 0 FEADHO CCC[N@H+](CC)CCNC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000431103563 559834205 /nfs/dbraw/zinc/83/42/05/559834205.db2.gz YDFOPRNYAQRPKN-UHFFFAOYSA-N 1 3 350.511 2.312 20 0 FEADHO CCC[N@@H+](CC)CCNC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000431103563 559834206 /nfs/dbraw/zinc/83/42/06/559834206.db2.gz YDFOPRNYAQRPKN-UHFFFAOYSA-N 1 3 350.511 2.312 20 0 FEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000431155017 559834974 /nfs/dbraw/zinc/83/49/74/559834974.db2.gz AYLSMWCLXKGOGG-OAHLLOKOSA-N 1 3 350.511 2.310 20 0 FEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000431155017 559834975 /nfs/dbraw/zinc/83/49/75/559834975.db2.gz AYLSMWCLXKGOGG-OAHLLOKOSA-N 1 3 350.511 2.310 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NCCNc2cc[nH+]cc2)CCN1Cc1ccccc1 ZINC000431693221 559844283 /nfs/dbraw/zinc/84/42/83/559844283.db2.gz RWAOYIWZQOWCNN-PXNSSMCTSA-N 1 3 367.497 2.268 20 0 FEADHO CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCN(C)CC1 ZINC000431859624 559847522 /nfs/dbraw/zinc/84/75/22/559847522.db2.gz NYWSHTQDPUGONF-VQTJNVASSA-N 1 3 364.578 2.172 20 0 FEADHO CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)N1CCN(C)CC1 ZINC000431859624 559847523 /nfs/dbraw/zinc/84/75/23/559847523.db2.gz NYWSHTQDPUGONF-VQTJNVASSA-N 1 3 364.578 2.172 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCCN1CCOC ZINC000431974677 559849674 /nfs/dbraw/zinc/84/96/74/559849674.db2.gz SKEUSEVGTFCJQX-GBESFXJTSA-N 1 3 368.566 2.297 20 0 FEADHO COc1cc(CN2CCC[C@@H]2CCO)cc(C[N@@H+]2CCC[C@@H]2CCO)c1 ZINC000432785476 559864987 /nfs/dbraw/zinc/86/49/87/559864987.db2.gz LNFSLUGAQWOEEM-WOJBJXKFSA-N 1 3 362.514 2.389 20 0 FEADHO COc1cc(CN2CCC[C@@H]2CCO)cc(C[N@H+]2CCC[C@@H]2CCO)c1 ZINC000432785476 559864988 /nfs/dbraw/zinc/86/49/88/559864988.db2.gz LNFSLUGAQWOEEM-WOJBJXKFSA-N 1 3 362.514 2.389 20 0 FEADHO COCC[N@H+](C)CCCNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000441015655 560021637 /nfs/dbraw/zinc/02/16/37/560021637.db2.gz RJPIGJBDEKVARW-UHFFFAOYSA-N 1 3 368.566 2.300 20 0 FEADHO COCC[N@@H+](C)CCCNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000441015655 560021638 /nfs/dbraw/zinc/02/16/38/560021638.db2.gz RJPIGJBDEKVARW-UHFFFAOYSA-N 1 3 368.566 2.300 20 0 FEADHO CN(C)CC[NH+]1CCC(CNCc2ncc(Br)cc2F)CC1 ZINC000527652199 562298926 /nfs/dbraw/zinc/29/89/26/562298926.db2.gz CGPQKHCYXXSJJF-UHFFFAOYSA-N 1 3 373.314 2.346 20 0 FEADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000449700781 560237447 /nfs/dbraw/zinc/23/74/47/560237447.db2.gz BDDDOHFWTIYLIA-LJQANCHMSA-N 1 3 358.530 2.093 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000451354052 560302162 /nfs/dbraw/zinc/30/21/62/560302162.db2.gz QHAUZGLWCFCPID-BQJUDKOJSA-N 1 3 373.541 2.421 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000451354052 560302163 /nfs/dbraw/zinc/30/21/63/560302163.db2.gz QHAUZGLWCFCPID-BQJUDKOJSA-N 1 3 373.541 2.421 20 0 FEADHO CC(C)N1CC[C@H](N(C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000452123744 560352704 /nfs/dbraw/zinc/35/27/04/560352704.db2.gz VUZAWLUYOZGQQG-NRFANRHFSA-N 1 3 372.557 2.313 20 0 FEADHO O=C(NC[C@@H]1CCCCN1CCO)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000452361994 560360460 /nfs/dbraw/zinc/36/04/60/560360460.db2.gz AZZQFEJIRBEDRV-FQEVSTJZSA-N 1 3 359.514 2.249 20 0 FEADHO c1ccc(C[N@H+]2CC[C@H](NCCNc3cnccn3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453127951 560383650 /nfs/dbraw/zinc/38/36/50/560383650.db2.gz CSWNNKBHBQFYGC-UFYCRDLUSA-N 1 3 351.498 2.921 20 0 FEADHO c1ccc(C[N@@H+]2CC[C@H](NCCNc3cnccn3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453127951 560383651 /nfs/dbraw/zinc/38/36/51/560383651.db2.gz CSWNNKBHBQFYGC-UFYCRDLUSA-N 1 3 351.498 2.921 20 0 FEADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453654228 560393707 /nfs/dbraw/zinc/39/37/07/560393707.db2.gz NURCZVXEABOOTM-HKUYNNGSSA-N 1 3 372.513 2.165 20 0 FEADHO CN(C)C1(CN(C)C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCC1 ZINC000453698770 560397729 /nfs/dbraw/zinc/39/77/29/560397729.db2.gz YRZAIOZXBFEBKB-SFHVURJKSA-N 1 3 372.513 2.117 20 0 FEADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CCCCN3Cc3ccccc3)C[C@@H]21 ZINC000454401678 560443075 /nfs/dbraw/zinc/44/30/75/560443075.db2.gz XILFYJQRRUCTLD-AABGKKOBSA-N 1 3 356.514 2.387 20 0 FEADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CCCCN3Cc3ccccc3)C[C@@H]21 ZINC000454401678 560443076 /nfs/dbraw/zinc/44/30/76/560443076.db2.gz XILFYJQRRUCTLD-AABGKKOBSA-N 1 3 356.514 2.387 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000457645878 560579694 /nfs/dbraw/zinc/57/96/94/560579694.db2.gz JHYWFNUUDRJDEC-KRWDZBQOSA-N 1 3 362.518 2.158 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000457645878 560579695 /nfs/dbraw/zinc/57/96/95/560579695.db2.gz JHYWFNUUDRJDEC-KRWDZBQOSA-N 1 3 362.518 2.158 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000457784607 560587519 /nfs/dbraw/zinc/58/75/19/560587519.db2.gz GUOSXWGLSRTJEH-HNNXBMFYSA-N 1 3 350.532 2.306 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000457784607 560587520 /nfs/dbraw/zinc/58/75/20/560587520.db2.gz GUOSXWGLSRTJEH-HNNXBMFYSA-N 1 3 350.532 2.306 20 0 FEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000457954972 560596257 /nfs/dbraw/zinc/59/62/57/560596257.db2.gz MOHJKQZVHBRWAH-MHORFTMASA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000457954972 560596258 /nfs/dbraw/zinc/59/62/58/560596258.db2.gz MOHJKQZVHBRWAH-MHORFTMASA-N 1 3 350.551 2.479 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NCC[N@H+](C)C2CC2)N(C)C)cc1 ZINC000458377524 560618715 /nfs/dbraw/zinc/61/87/15/560618715.db2.gz FMMXNGSNHDZQRI-KRWDZBQOSA-N 1 3 350.532 2.405 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NCC[N@@H+](C)C2CC2)N(C)C)cc1 ZINC000458377524 560618716 /nfs/dbraw/zinc/61/87/16/560618716.db2.gz FMMXNGSNHDZQRI-KRWDZBQOSA-N 1 3 350.532 2.405 20 0 FEADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000458425774 560622414 /nfs/dbraw/zinc/62/24/14/560622414.db2.gz VVGJUNLVJQGYHV-QGZVFWFLSA-N 1 3 369.598 2.068 20 0 FEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000458732387 560644486 /nfs/dbraw/zinc/64/44/86/560644486.db2.gz SQTFWYZLPBIHFQ-MOPGFXCFSA-N 1 3 368.566 2.297 20 0 FEADHO CN(C)C[C@@H]1CN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000458987319 560660632 /nfs/dbraw/zinc/66/06/32/560660632.db2.gz YOTZQHJLPGUGPA-LJQANCHMSA-N 1 3 374.529 2.013 20 0 FEADHO CN(C)C[C@@H]1CN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000458987319 560660634 /nfs/dbraw/zinc/66/06/34/560660634.db2.gz YOTZQHJLPGUGPA-LJQANCHMSA-N 1 3 374.529 2.013 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(COC)CCCC1 ZINC000459074852 560665450 /nfs/dbraw/zinc/66/54/50/560665450.db2.gz BDLCAZBBJRXHDV-GOSISDBHSA-N 1 3 368.566 2.251 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(COC)CCCC1 ZINC000459074852 560665451 /nfs/dbraw/zinc/66/54/51/560665451.db2.gz BDLCAZBBJRXHDV-GOSISDBHSA-N 1 3 368.566 2.251 20 0 FEADHO O=C(Cc1ccccc1)N1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459518910 560691560 /nfs/dbraw/zinc/69/15/60/560691560.db2.gz GWOVPXPXOJHHLF-FQEVSTJZSA-N 1 3 364.493 2.484 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CCN1C ZINC000465889105 560875081 /nfs/dbraw/zinc/87/50/81/560875081.db2.gz MSWFZUNFFNKGTK-MJGOQNOKSA-N 1 3 374.529 2.443 20 0 FEADHO COCCN1CC[C@@H](NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000465950123 560876823 /nfs/dbraw/zinc/87/68/23/560876823.db2.gz LWBGYXWXVJGKIR-AZUAARDMSA-N 1 3 374.529 2.013 20 0 FEADHO COCCN1CC[C@@H](NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000465950123 560876824 /nfs/dbraw/zinc/87/68/24/560876824.db2.gz LWBGYXWXVJGKIR-AZUAARDMSA-N 1 3 374.529 2.013 20 0 FEADHO CCN(CC)CCN(Cc1ccccc1)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467701731 560915174 /nfs/dbraw/zinc/91/51/74/560915174.db2.gz YHOQXDGIFDSJLV-IHWFROFDSA-N 1 3 371.525 2.172 20 0 FEADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000467708308 560915222 /nfs/dbraw/zinc/91/52/22/560915222.db2.gz DBCQSBNIWMPZSH-WIYYLYMNSA-N 1 3 370.541 2.188 20 0 FEADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000467708308 560915223 /nfs/dbraw/zinc/91/52/23/560915223.db2.gz DBCQSBNIWMPZSH-WIYYLYMNSA-N 1 3 370.541 2.188 20 0 FEADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000468470581 560930745 /nfs/dbraw/zinc/93/07/45/560930745.db2.gz QYLCOWMDCVURAO-KRWDZBQOSA-N 1 3 351.535 2.258 20 0 FEADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000468470581 560930746 /nfs/dbraw/zinc/93/07/46/560930746.db2.gz QYLCOWMDCVURAO-KRWDZBQOSA-N 1 3 351.535 2.258 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCCC[N@@H+](C)C(C)C)CC2)c1 ZINC000468469217 560930837 /nfs/dbraw/zinc/93/08/37/560930837.db2.gz URNSYQILLLAPMS-UHFFFAOYSA-N 1 3 360.546 2.354 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCCC[N@H+](C)C(C)C)CC2)c1 ZINC000468469217 560930838 /nfs/dbraw/zinc/93/08/38/560930838.db2.gz URNSYQILLLAPMS-UHFFFAOYSA-N 1 3 360.546 2.354 20 0 FEADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC000468508993 560931926 /nfs/dbraw/zinc/93/19/26/560931926.db2.gz ZFVLYURQBIGFND-AWEZNQCLSA-N 1 3 350.429 2.185 20 0 FEADHO CC[N@@H+]1CC[C@H](NCCN2CCN(C(=O)C3CCCCC3)CC2)[C@@H](C)C1 ZINC000468906807 560941932 /nfs/dbraw/zinc/94/19/32/560941932.db2.gz HRQMKKUKLBDRQH-ICSRJNTNSA-N 1 3 364.578 2.031 20 0 FEADHO CC[N@H+]1CC[C@H](NCCN2CCN(C(=O)C3CCCCC3)CC2)[C@@H](C)C1 ZINC000468906807 560941933 /nfs/dbraw/zinc/94/19/33/560941933.db2.gz HRQMKKUKLBDRQH-ICSRJNTNSA-N 1 3 364.578 2.031 20 0 FEADHO CN(C)Cc1cccc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000470520477 560984011 /nfs/dbraw/zinc/98/40/11/560984011.db2.gz IUUVAGUOOVVNCF-QFIPXVFZSA-N 1 3 367.493 2.115 20 0 FEADHO CN(C)Cc1cccc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000470520477 560984012 /nfs/dbraw/zinc/98/40/12/560984012.db2.gz IUUVAGUOOVVNCF-QFIPXVFZSA-N 1 3 367.493 2.115 20 0 FEADHO CN1CCC[C@@H](CNC(=O)NCCOCC[NH+](C)C)[C@H]1c1cccs1 ZINC000471634854 561009207 /nfs/dbraw/zinc/00/92/07/561009207.db2.gz HLKMVKQBUUFDJX-RDJZCZTQSA-N 1 3 368.547 2.008 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)NCCOCC[NH+](C)C)N2CCCC2)cc1 ZINC000471640605 561009436 /nfs/dbraw/zinc/00/94/36/561009436.db2.gz AKVXROTZERZVOW-LJQANCHMSA-N 1 3 362.518 2.009 20 0 FEADHO CN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000472321753 561024291 /nfs/dbraw/zinc/02/42/91/561024291.db2.gz QXHQLVCWUMLJLZ-QUCCMNQESA-N 1 3 356.514 2.387 20 0 FEADHO CN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000472321753 561024292 /nfs/dbraw/zinc/02/42/92/561024292.db2.gz QXHQLVCWUMLJLZ-QUCCMNQESA-N 1 3 356.514 2.387 20 0 FEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000472987455 561039522 /nfs/dbraw/zinc/03/95/22/561039522.db2.gz YEVMWBBKQBJBNV-MOPGFXCFSA-N 1 3 368.566 2.393 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000473046202 561041182 /nfs/dbraw/zinc/04/11/82/561041182.db2.gz ZHPRQWRJWWSTLN-RTBURBONSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000474307019 561070972 /nfs/dbraw/zinc/07/09/72/561070972.db2.gz GGOGRSDHQPXSOU-ZFHGCVPZSA-N 1 3 351.441 2.399 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCCN(C)CC1 ZINC000474520698 561075891 /nfs/dbraw/zinc/07/58/91/561075891.db2.gz RWVKARVUKBLGOO-RUYXUALKSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCCN(C)CC1 ZINC000474520698 561075892 /nfs/dbraw/zinc/07/58/92/561075892.db2.gz RWVKARVUKBLGOO-RUYXUALKSA-N 1 3 358.530 2.490 20 0 FEADHO CC1CC[NH+](C[C@@H](O)CNC(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000476458877 561120033 /nfs/dbraw/zinc/12/00/33/561120033.db2.gz LEQIENWPPCGRBN-INIZCTEOSA-N 1 3 373.497 2.317 20 0 FEADHO C[C@@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC000476956578 561132862 /nfs/dbraw/zinc/13/28/62/561132862.db2.gz XAQXXYACROZTGW-LBPRGKRZSA-N 1 3 350.429 2.043 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCN2CCOC)CC1 ZINC000477186592 561138796 /nfs/dbraw/zinc/13/87/96/561138796.db2.gz JUZZPGQZFNUOBK-IBGZPJMESA-N 1 3 368.566 2.251 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCN2CCOC)CC1 ZINC000477186592 561138797 /nfs/dbraw/zinc/13/87/97/561138797.db2.gz JUZZPGQZFNUOBK-IBGZPJMESA-N 1 3 368.566 2.251 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000528286643 562320965 /nfs/dbraw/zinc/32/09/65/562320965.db2.gz GSHOZEUUMYYOHT-RTBURBONSA-N 1 3 366.550 2.146 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2cc(=O)[nH]cc21 ZINC000528335872 562323318 /nfs/dbraw/zinc/32/33/18/562323318.db2.gz PJNSWBKLWATJEH-QGZVFWFLSA-N 1 3 370.497 2.429 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2cc(=O)[nH]cc21 ZINC000528335872 562323319 /nfs/dbraw/zinc/32/33/19/562323319.db2.gz PJNSWBKLWATJEH-QGZVFWFLSA-N 1 3 370.497 2.429 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N2CCNC[C@@H]2C(C)C)[NH+]2CCCC2)cc1 ZINC000529285640 562367210 /nfs/dbraw/zinc/36/72/10/562367210.db2.gz XRWASTMMUXEDDO-WOJBJXKFSA-N 1 3 374.529 2.472 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529365990 562371246 /nfs/dbraw/zinc/37/12/46/562371246.db2.gz LCXBZPXSHBVCFU-MOPGFXCFSA-N 1 3 371.529 2.362 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000530024308 562394768 /nfs/dbraw/zinc/39/47/68/562394768.db2.gz LBCNKCGGIKHBJV-UYAOXDASSA-N 1 3 356.514 2.427 20 0 FEADHO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000530024308 562394769 /nfs/dbraw/zinc/39/47/69/562394769.db2.gz LBCNKCGGIKHBJV-UYAOXDASSA-N 1 3 356.514 2.427 20 0 FEADHO Cn1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(-c2ccncc2)n1 ZINC000530248508 562404144 /nfs/dbraw/zinc/40/41/44/562404144.db2.gz LIQKKWOBRKAQHU-LJQANCHMSA-N 1 3 355.486 2.073 20 0 FEADHO C[C@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000530572272 562416263 /nfs/dbraw/zinc/41/62/63/562416263.db2.gz HTSHCMPZDPIQDH-DBXWQHBBSA-N 1 3 359.514 2.003 20 0 FEADHO C[C@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000530572272 562416264 /nfs/dbraw/zinc/41/62/64/562416264.db2.gz HTSHCMPZDPIQDH-DBXWQHBBSA-N 1 3 359.514 2.003 20 0 FEADHO C[C@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000530572275 562416315 /nfs/dbraw/zinc/41/63/15/562416315.db2.gz HTSHCMPZDPIQDH-OPYAIIAOSA-N 1 3 359.514 2.003 20 0 FEADHO C[C@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000530572275 562416316 /nfs/dbraw/zinc/41/63/16/562416316.db2.gz HTSHCMPZDPIQDH-OPYAIIAOSA-N 1 3 359.514 2.003 20 0 FEADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000530743770 562422454 /nfs/dbraw/zinc/42/24/54/562422454.db2.gz OINQLNJXPHGNBN-LJQANCHMSA-N 1 3 362.543 2.160 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000530880734 562427111 /nfs/dbraw/zinc/42/71/11/562427111.db2.gz RBICCLJKOPFSAL-UHFFFAOYSA-N 1 3 371.485 2.179 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](CCCN3CCCC3=O)CC2)C[C@H](C)O1 ZINC000530939688 562429224 /nfs/dbraw/zinc/42/92/24/562429224.db2.gz VGFMPSIDMXDTLJ-HDICACEKSA-N 1 3 351.535 2.210 20 0 FEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000531546669 562449377 /nfs/dbraw/zinc/44/93/77/562449377.db2.gz VHDSPUARFQHZER-PMACEKPBSA-N 1 3 358.530 2.388 20 0 FEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000531546669 562449378 /nfs/dbraw/zinc/44/93/78/562449378.db2.gz VHDSPUARFQHZER-PMACEKPBSA-N 1 3 358.530 2.388 20 0 FEADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532227511 562471070 /nfs/dbraw/zinc/47/10/70/562471070.db2.gz LSXWQXQZXPYGAR-HNNXBMFYSA-N 1 3 372.513 2.165 20 0 FEADHO C[C@@H](C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)N1[C@H](C)CC[C@@H]1C ZINC000533453046 562509442 /nfs/dbraw/zinc/50/94/42/562509442.db2.gz ANMRDLXIYIFTCN-UIBIWLFHSA-N 1 3 359.518 2.422 20 0 FEADHO Cc1cc(N(C)CC[NH+]2CCCC2)nc([C@H](C)N(C)CCN2CCCC2)n1 ZINC000541174850 562605195 /nfs/dbraw/zinc/60/51/95/562605195.db2.gz KBVWWPDBKICKEN-IBGZPJMESA-N 1 3 374.577 2.406 20 0 FEADHO C[C@@H]([NH2+]CC(=O)NCC(=O)c1cccs1)[C@H]1CCCN(C2CCC2)C1 ZINC000541600222 562616122 /nfs/dbraw/zinc/61/61/22/562616122.db2.gz YMSBCHZGFQFVQX-CABCVRRESA-N 1 3 363.527 2.290 20 0 FEADHO O[C@@H](CN[C@@H]1CCc2cccc(Br)c2C1)C[NH+]1CCCC1 ZINC000549723492 562638369 /nfs/dbraw/zinc/63/83/69/562638369.db2.gz VZJZSLYFDAGKSC-CABCVRRESA-N 1 3 353.304 2.353 20 0 FEADHO CC(C)CN1CCC([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000556053567 674386300 /nfs/dbraw/zinc/38/63/00/674386300.db2.gz UYLASQDQNIQROC-LJQANCHMSA-N 1 3 365.543 2.421 20 0 FEADHO CCC[NH+](CCC)CCCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000605972706 568024166 /nfs/dbraw/zinc/02/41/66/568024166.db2.gz PECUQDAPXCLEPD-UHFFFAOYSA-N 1 3 368.566 2.252 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000623071578 568238018 /nfs/dbraw/zinc/23/80/18/568238018.db2.gz KIRXAQZLYZPKEE-JENIJYKNSA-N 1 3 360.502 2.498 20 0 FEADHO C[NH+](C)CCC1CC[NH+](CCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821584854 606887871 /nfs/dbraw/zinc/88/78/71/606887871.db2.gz VGYBEXCTWUIWGK-UHFFFAOYSA-N 1 3 358.490 2.299 20 0 FEADHO C[NH+](C)CCC1CC[NH+](CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821584854 606887873 /nfs/dbraw/zinc/88/78/73/606887873.db2.gz VGYBEXCTWUIWGK-UHFFFAOYSA-N 1 3 358.490 2.299 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2CCC[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000563606927 674915910 /nfs/dbraw/zinc/91/59/10/674915910.db2.gz PNZRKFMGTDMKIF-RHSMWYFYSA-N 1 3 350.532 2.392 20 0 FEADHO CCCN(CC1CCCCC1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000060445702 670386008 /nfs/dbraw/zinc/38/60/08/670386008.db2.gz BODQDLXOAILDGI-UHFFFAOYSA-N 1 3 350.507 2.252 20 0 FEADHO CC[C@H](CNC(=S)NC1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000063148187 670404702 /nfs/dbraw/zinc/40/47/02/670404702.db2.gz GIFODEDXPPIVMZ-LJQANCHMSA-N 1 3 360.571 2.382 20 0 FEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCN1CCC(OC)CC1 ZINC000080124710 670616374 /nfs/dbraw/zinc/61/63/74/670616374.db2.gz RALYHBHWEIYDPW-KRWDZBQOSA-N 1 3 354.539 2.051 20 0 FEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCN1CCC(OC)CC1 ZINC000080124710 670616377 /nfs/dbraw/zinc/61/63/77/670616377.db2.gz RALYHBHWEIYDPW-KRWDZBQOSA-N 1 3 354.539 2.051 20 0 FEADHO Cc1ccc(OC[C@@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)c(C)c1 ZINC000570325191 670696263 /nfs/dbraw/zinc/69/62/63/670696263.db2.gz PJQVASAHQQFIGE-MOPGFXCFSA-N 1 3 350.503 2.134 20 0 FEADHO Cc1ccc(OC[C@@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)c(C)c1 ZINC000570325191 670696268 /nfs/dbraw/zinc/69/62/68/670696268.db2.gz PJQVASAHQQFIGE-MOPGFXCFSA-N 1 3 350.503 2.134 20 0 FEADHO Cc1ccc(NC(=O)[C@H](C)N(C)CCCN(C)CC[NH+](C)C)c(F)c1 ZINC000565854530 675156148 /nfs/dbraw/zinc/15/61/48/675156148.db2.gz CRPYQWGKEUSUBD-INIZCTEOSA-N 1 3 352.498 2.276 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000573729116 671157359 /nfs/dbraw/zinc/15/73/59/671157359.db2.gz OYBXGSMQHFNFCR-MJGOQNOKSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000573729116 671157360 /nfs/dbraw/zinc/15/73/60/671157360.db2.gz OYBXGSMQHFNFCR-MJGOQNOKSA-N 1 3 351.535 2.258 20 0 FEADHO [NH3+]C[C@H]1CC[C@@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)O1 ZINC000576944901 671406221 /nfs/dbraw/zinc/40/62/21/671406221.db2.gz LIKIEFPLSLRQEX-MSOLQXFVSA-N 1 3 365.905 2.271 20 0 FEADHO CN1CCN(CCCCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000579226073 671720747 /nfs/dbraw/zinc/72/07/47/671720747.db2.gz ZQICMRIHAMUULF-IBGZPJMESA-N 1 3 352.567 2.208 20 0 FEADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCOc1cccc(Cl)c1 ZINC000580952047 671850006 /nfs/dbraw/zinc/85/00/06/671850006.db2.gz CVDSUCWIAGTMGA-HZPDHXFCSA-N 1 3 365.905 2.157 20 0 FEADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C[C@H](C)O1 ZINC000582803250 672035475 /nfs/dbraw/zinc/03/54/75/672035475.db2.gz UQVIRVJZGLTRJL-CALCHBBNSA-N 1 3 351.535 2.066 20 0 FEADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C[C@H](C)O1 ZINC000582803250 672035476 /nfs/dbraw/zinc/03/54/76/672035476.db2.gz UQVIRVJZGLTRJL-CALCHBBNSA-N 1 3 351.535 2.066 20 0 FEADHO CCOC(=O)c1csc(CCNC2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000594498942 673094198 /nfs/dbraw/zinc/09/41/98/673094198.db2.gz DIWHJTRREOMRPY-HNNXBMFYSA-N 1 3 367.515 2.095 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=S)NCCCN1CCc2ccccc2C1 ZINC000727074293 673153438 /nfs/dbraw/zinc/15/34/38/673153438.db2.gz TUIGKRXTLONEKE-UHFFFAOYSA-N 1 3 362.587 2.487 20 0 FEADHO C[C@H]1CN(Cc2cc(-n3ccnc3)cs2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000542465884 673584242 /nfs/dbraw/zinc/58/42/42/673584242.db2.gz NBLTYEXRBDGJJJ-QFBILLFUSA-N 1 3 359.543 2.392 20 0 FEADHO COCC(=O)N1CCC([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000542842025 673609809 /nfs/dbraw/zinc/60/98/09/673609809.db2.gz XPSORFXMMKRCFN-QFBILLFUSA-N 1 3 351.535 2.257 20 0 FEADHO CC(C)(C)OC(=O)C1CCC(O)(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000600715500 673793858 /nfs/dbraw/zinc/79/38/58/673793858.db2.gz GQEHZYWRXANDPA-MUZJZNNISA-N 1 3 352.519 2.466 20 0 FEADHO CC(C)(C)OC(=O)C1CCC(O)(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000600715500 673793860 /nfs/dbraw/zinc/79/38/60/673793860.db2.gz GQEHZYWRXANDPA-MUZJZNNISA-N 1 3 352.519 2.466 20 0 FEADHO CN1CCN(CC[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000819287953 675277559 /nfs/dbraw/zinc/27/75/59/675277559.db2.gz SOIKKXWXJXIBPD-INIZCTEOSA-N 1 3 359.436 2.354 20 0 FEADHO O=S1(=O)CC[C@H](NCC2CC[NH2+]CC2)c2cc(Br)ccc21 ZINC000567638845 675308776 /nfs/dbraw/zinc/30/87/76/675308776.db2.gz LYJGSZPPCYRTLB-AWEZNQCLSA-N 1 3 373.316 2.257 20 0 FEADHO CCC[NH+](CCC)CCCC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000605563579 675818739 /nfs/dbraw/zinc/81/87/39/675818739.db2.gz JLDUCARPDLLOIY-UHFFFAOYSA-N 1 3 353.551 2.459 20 0 FEADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000620550418 676421048 /nfs/dbraw/zinc/42/10/48/676421048.db2.gz QVFZNHCXKDYRQR-MRXNPFEDSA-N 1 3 356.580 2.378 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH3+])c3ccccc32)cc1 ZINC000634562829 677077449 /nfs/dbraw/zinc/07/74/49/677077449.db2.gz KLZFMQKEFYKAQH-INIZCTEOSA-N 1 3 359.495 2.390 20 0 FEADHO CCO[C@H]1C[C@](N)(C(=O)N2CCC(CC)([NH+]3CCCC3)CC2)C1(C)C ZINC000638862008 677151313 /nfs/dbraw/zinc/15/13/13/677151313.db2.gz JMQMVEPRBIUCFY-JXFKEZNVSA-N 1 3 351.535 2.386 20 0 FEADHO COCCN1CCC(NC(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000641777065 677215404 /nfs/dbraw/zinc/21/54/04/677215404.db2.gz HNOIOYRPYPSWOR-UHFFFAOYSA-N 1 3 354.539 2.005 20 0 FEADHO COc1cc(NC(=O)CC[NH2+][C@H]2C[C@H](N)C2(C)C)c(OC)cc1Cl ZINC000641801154 677216033 /nfs/dbraw/zinc/21/60/33/677216033.db2.gz AQEBNSXKYMMUHH-GJZGRUSLSA-N 1 3 355.866 2.401 20 0 FEADHO NS(=O)(=O)c1ccc(CNCCCCC[NH+]2CCCCC2)c(F)c1 ZINC000647183311 677297060 /nfs/dbraw/zinc/29/70/60/677297060.db2.gz RXRJEHBFEDMKQW-UHFFFAOYSA-N 1 3 357.495 2.219 20 0 FEADHO CC(C)([NH3+])CCC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000649338890 677329717 /nfs/dbraw/zinc/32/97/17/677329717.db2.gz JGBQLQAEWOULSI-UHFFFAOYSA-N 1 3 351.466 2.303 20 0 FEADHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@@H]1CCN ZINC000652355134 677481195 /nfs/dbraw/zinc/48/11/95/677481195.db2.gz PXHWTQSPLATUIL-MLGOLLRUSA-N 1 3 366.893 2.217 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@@H]1CCN ZINC000652355134 677481197 /nfs/dbraw/zinc/48/11/97/677481197.db2.gz PXHWTQSPLATUIL-MLGOLLRUSA-N 1 3 366.893 2.217 20 0 FEADHO C[C@@H]1CCCN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@@H]1CC[NH3+] ZINC000652355134 677481198 /nfs/dbraw/zinc/48/11/98/677481198.db2.gz PXHWTQSPLATUIL-MLGOLLRUSA-N 1 3 366.893 2.217 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3csc(C)n3)CC2)CC1 ZINC000654539925 677587166 /nfs/dbraw/zinc/58/71/66/677587166.db2.gz BGILNYFTYVGYEO-UHFFFAOYSA-N 1 3 350.532 2.264 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)[C@H]3CCCCO3)CC2)CC1 ZINC000654985595 677616290 /nfs/dbraw/zinc/61/62/90/677616290.db2.gz AVHCCAQZOQTGSG-QFBILLFUSA-N 1 3 351.535 2.257 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655467794 677642367 /nfs/dbraw/zinc/64/23/67/677642367.db2.gz KJBYLPUNQCHIJQ-VQIMIIECSA-N 1 3 351.441 2.245 20 0 FEADHO CN(C)C[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655928832 677693346 /nfs/dbraw/zinc/69/33/46/677693346.db2.gz QKBBWYGOIALJLO-NEPJUHHUSA-N 1 3 352.788 2.132 20 0 FEADHO O=C(Nc1cccc2c1CC[NH2+]C2)C(C[C@H]1COCCO1)C(F)(F)F ZINC000659297707 678163280 /nfs/dbraw/zinc/16/32/80/678163280.db2.gz YCFXZIFRXRKYTJ-JSGCOSHPSA-N 1 3 358.360 2.255 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@@H]3CCCCO3)C2)CC1 ZINC000661874366 678544510 /nfs/dbraw/zinc/54/45/10/678544510.db2.gz JHWFQGUXMATFFG-HKUYNNGSSA-N 1 3 351.535 2.257 20 0 FEADHO C[NH+](C)CCOc1cccc(CNC(=O)c2cc3c(s2)CCNC3)c1 ZINC000662390711 678615126 /nfs/dbraw/zinc/61/51/26/678615126.db2.gz OVEBGRVRIMIMFD-UHFFFAOYSA-N 1 3 359.495 2.264 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000664551174 678894018 /nfs/dbraw/zinc/89/40/18/678894018.db2.gz JCIZXWVXAJFSHO-GVDBMIGSSA-N 1 3 356.555 2.151 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000664551174 678894021 /nfs/dbraw/zinc/89/40/21/678894021.db2.gz JCIZXWVXAJFSHO-GVDBMIGSSA-N 1 3 356.555 2.151 20 0 FEADHO Cc1cnc([C@@H](C)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000664657637 678910652 /nfs/dbraw/zinc/91/06/52/678910652.db2.gz MENCMRSFRUTGAY-KBPBESRZSA-N 1 3 355.552 2.126 20 0 FEADHO Cc1cnc([C@@H](C)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000664657637 678910653 /nfs/dbraw/zinc/91/06/53/678910653.db2.gz MENCMRSFRUTGAY-KBPBESRZSA-N 1 3 355.552 2.126 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CSc2ccccc21 ZINC000664977315 678935830 /nfs/dbraw/zinc/93/58/30/678935830.db2.gz OWLZUENZUFOUFH-JKSUJKDBSA-N 1 3 364.559 2.447 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CSc2ccccc21 ZINC000664977315 678935834 /nfs/dbraw/zinc/93/58/34/678935834.db2.gz OWLZUENZUFOUFH-JKSUJKDBSA-N 1 3 364.559 2.447 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC=C(C(F)(F)F)CC1 ZINC000665760181 678982159 /nfs/dbraw/zinc/98/21/59/678982159.db2.gz BIVSFPCHSBKQHP-ZDUSSCGKSA-N 1 3 350.429 2.162 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC=C(C(F)(F)F)CC1 ZINC000665760181 678982160 /nfs/dbraw/zinc/98/21/60/678982160.db2.gz BIVSFPCHSBKQHP-ZDUSSCGKSA-N 1 3 350.429 2.162 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000665762042 678982338 /nfs/dbraw/zinc/98/23/38/678982338.db2.gz YPSJWWRLVPMWIX-KBPBESRZSA-N 1 3 352.445 2.242 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000665762042 678982339 /nfs/dbraw/zinc/98/23/39/678982339.db2.gz YPSJWWRLVPMWIX-KBPBESRZSA-N 1 3 352.445 2.242 20 0 FEADHO [NH3+][C@H]1CCC[C@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000669389530 679231808 /nfs/dbraw/zinc/23/18/08/679231808.db2.gz MYRGYRBKNVJEKL-HOTGVXAUSA-N 1 3 354.564 2.165 20 0 FEADHO CCO[C@H]1C[C@](N)(C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1(C)C ZINC000831089123 679921211 /nfs/dbraw/zinc/92/12/11/679921211.db2.gz SQMYMQAKIVJUKU-TXTJOAKRSA-N 1 3 351.535 2.432 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CNCc3c(F)cccc3F)C2)CC[N@@H+]1C ZINC001026852177 680350632 /nfs/dbraw/zinc/35/06/32/680350632.db2.gz LSTRBBIJVHWQSU-RBSFLKMASA-N 1 3 351.441 2.243 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CNCc3c(F)cccc3F)C2)CC[N@H+]1C ZINC001026852177 680350634 /nfs/dbraw/zinc/35/06/34/680350634.db2.gz LSTRBBIJVHWQSU-RBSFLKMASA-N 1 3 351.441 2.243 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(CCc3ccns3)CC2)CC[N@@H+]1C ZINC001045444330 680630238 /nfs/dbraw/zinc/63/02/38/680630238.db2.gz JPSQTUOINWZEGA-DLBZAZTESA-N 1 3 364.559 2.387 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(CCc3ccns3)CC2)CC[N@H+]1C ZINC001045444330 680630241 /nfs/dbraw/zinc/63/02/41/680630241.db2.gz JPSQTUOINWZEGA-DLBZAZTESA-N 1 3 364.559 2.387 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844319528 681050932 /nfs/dbraw/zinc/05/09/32/681050932.db2.gz ZDQODZXZHXGAFG-SFHVURJKSA-N 1 3 353.507 2.040 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844319528 681050934 /nfs/dbraw/zinc/05/09/34/681050934.db2.gz ZDQODZXZHXGAFG-SFHVURJKSA-N 1 3 353.507 2.040 20 0 FEADHO CCC(CC)CN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)O2 ZINC001053602532 681100878 /nfs/dbraw/zinc/10/08/78/681100878.db2.gz IWAXUUFTFPEEFN-BPQIPLTHSA-N 1 3 351.535 2.112 20 0 FEADHO CCC(CC)CN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)O2 ZINC001053602532 681100882 /nfs/dbraw/zinc/10/08/82/681100882.db2.gz IWAXUUFTFPEEFN-BPQIPLTHSA-N 1 3 351.535 2.112 20 0 FEADHO CC[N@H+](C)C[C@H](O)CN[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC000846824348 681295073 /nfs/dbraw/zinc/29/50/73/681295073.db2.gz MKHCQFUWAYQDHY-MDZRGWNJSA-N 1 3 357.539 2.362 20 0 FEADHO CC[N@@H+](C)C[C@H](O)CN[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC000846824348 681295076 /nfs/dbraw/zinc/29/50/76/681295076.db2.gz MKHCQFUWAYQDHY-MDZRGWNJSA-N 1 3 357.539 2.362 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1ccccc1Br ZINC000849117077 681658614 /nfs/dbraw/zinc/65/86/14/681658614.db2.gz SMCXIHTZJQJKNF-IUODEOHRSA-N 1 3 369.307 2.081 20 0 FEADHO CCN1CC[C@H]([N@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C[C@H]1C ZINC000851798170 682138667 /nfs/dbraw/zinc/13/86/67/682138667.db2.gz ZSAYTTZSNOXYGD-IXDOHACOSA-N 1 3 355.523 2.427 20 0 FEADHO CCN1CC[C@H]([N@@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C[C@H]1C ZINC000851798170 682138671 /nfs/dbraw/zinc/13/86/71/682138671.db2.gz ZSAYTTZSNOXYGD-IXDOHACOSA-N 1 3 355.523 2.427 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3c(C)nsc3C)C2)CC[N@@H+]1C ZINC000968737748 682244116 /nfs/dbraw/zinc/24/41/16/682244116.db2.gz GDYZIUBZZUOKNV-HLLBOEOZSA-N 1 3 350.532 2.181 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3c(C)nsc3C)C2)CC[N@H+]1C ZINC000968737748 682244120 /nfs/dbraw/zinc/24/41/20/682244120.db2.gz GDYZIUBZZUOKNV-HLLBOEOZSA-N 1 3 350.532 2.181 20 0 FEADHO C[C@@H]1C[NH+](CCCCNCc2cn(C)nc2Br)C[C@@H](C)O1 ZINC000858140407 682938019 /nfs/dbraw/zinc/93/80/19/682938019.db2.gz DCHNDECZSVUGLV-CHWSQXEVSA-N 1 3 359.312 2.162 20 0 FEADHO CCC[NH+]1CCC(NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000926990673 683195032 /nfs/dbraw/zinc/19/50/32/683195032.db2.gz OGPAYICWUZWGCN-IBGZPJMESA-N 1 3 355.523 2.476 20 0 FEADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927640402 683282245 /nfs/dbraw/zinc/28/22/45/683282245.db2.gz JGUVBIYLYNHIJJ-SFHVURJKSA-N 1 3 354.539 2.003 20 0 FEADHO Cc1c[nH+]ccc1NNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000863205348 683684834 /nfs/dbraw/zinc/68/48/34/683684834.db2.gz HDADMFDDIYYIMC-UHFFFAOYSA-N 1 3 355.511 2.268 20 0 FEADHO C[C@@H]1[C@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@@H+]1C ZINC000922270956 683690823 /nfs/dbraw/zinc/69/08/23/683690823.db2.gz ZDZJYEODLGPZDP-GALLPEHLSA-N 1 3 362.440 2.184 20 0 FEADHO C[C@@H]1[C@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@H+]1C ZINC000922270956 683690826 /nfs/dbraw/zinc/69/08/26/683690826.db2.gz ZDZJYEODLGPZDP-GALLPEHLSA-N 1 3 362.440 2.184 20 0 FEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(C(F)(F)F)n[nH]3)C2)[C@@H]1C(C)C ZINC000922393072 683713291 /nfs/dbraw/zinc/71/32/91/683713291.db2.gz JIPLASQDVWSNKI-VDERGJSUSA-N 1 3 360.424 2.388 20 0 FEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(C(F)(F)F)n[nH]3)C2)[C@@H]1C(C)C ZINC000922393072 683713293 /nfs/dbraw/zinc/71/32/93/683713293.db2.gz JIPLASQDVWSNKI-VDERGJSUSA-N 1 3 360.424 2.388 20 0 FEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cn(C)nc3C(F)F)C2)[C@H]1C(C)C ZINC000922392128 683713411 /nfs/dbraw/zinc/71/34/11/683713411.db2.gz BNGMOGAAKGCPJR-GZOSKZMVSA-N 1 3 356.461 2.317 20 0 FEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cn(C)nc3C(F)F)C2)[C@H]1C(C)C ZINC000922392128 683713413 /nfs/dbraw/zinc/71/34/13/683713413.db2.gz BNGMOGAAKGCPJR-GZOSKZMVSA-N 1 3 356.461 2.317 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCSC2(CCC2)C1 ZINC000923197927 684239724 /nfs/dbraw/zinc/23/97/24/684239724.db2.gz CCOMNAWMEFGYOG-JKSUJKDBSA-N 1 3 356.580 2.376 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCSC2(CCC2)C1 ZINC000923197927 684239727 /nfs/dbraw/zinc/23/97/27/684239727.db2.gz CCOMNAWMEFGYOG-JKSUJKDBSA-N 1 3 356.580 2.376 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC[NH+](C)CC3)cc1 ZINC000867618506 684333037 /nfs/dbraw/zinc/33/30/37/684333037.db2.gz HEJMUJWTSSPIMW-UHFFFAOYSA-N 1 3 365.543 2.245 20 0 FEADHO CC(C)([NH3+])CCN[C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000925736842 684580393 /nfs/dbraw/zinc/58/03/93/684580393.db2.gz CXGSQZRCEKKADL-QGZVFWFLSA-N 1 3 366.937 2.295 20 0 FEADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cccc(OC(F)(F)F)c1 ZINC000873232506 685100433 /nfs/dbraw/zinc/10/04/33/685100433.db2.gz RWSQMJQVDOBWAR-CHWSQXEVSA-N 1 3 359.392 2.433 20 0 FEADHO [NH3+]C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1C(F)(F)F ZINC000877359247 686362398 /nfs/dbraw/zinc/36/23/98/686362398.db2.gz GKJFOCUBWSOULZ-HZPDHXFCSA-N 1 3 355.404 2.492 20 0 FEADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000877489442 686389404 /nfs/dbraw/zinc/38/94/04/686389404.db2.gz NYQVTGYNRAOZCH-OAHLLOKOSA-N 1 3 357.539 2.457 20 0 FEADHO CN1CC[C@@]2(CC[N@H+](C[C@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)C1 ZINC000877546299 686405979 /nfs/dbraw/zinc/40/59/79/686405979.db2.gz QGQNPHPZQWRLOF-HNAYVOBHSA-N 1 3 353.507 2.386 20 0 FEADHO CN1CC[C@@]2(CC[N@@H+](C[C@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)C1 ZINC000877546299 686405982 /nfs/dbraw/zinc/40/59/82/686405982.db2.gz QGQNPHPZQWRLOF-HNAYVOBHSA-N 1 3 353.507 2.386 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]Cc2c3c(nn2C)CCSC3)C[C@H](C)O1 ZINC000883015689 687546848 /nfs/dbraw/zinc/54/68/48/687546848.db2.gz YZYDNUUZNQWDIE-GASCZTMLSA-N 1 3 352.548 2.188 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc([S@@](C)(=N)=O)cc1 ZINC000888462137 688617174 /nfs/dbraw/zinc/61/71/74/688617174.db2.gz ABORIXUDGAIWHK-SXBQZSJRSA-N 1 3 369.535 2.116 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc([S@@](C)(=N)=O)cc1 ZINC000888462137 688617176 /nfs/dbraw/zinc/61/71/76/688617176.db2.gz ABORIXUDGAIWHK-SXBQZSJRSA-N 1 3 369.535 2.116 20 0 FEADHO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCC1(F)F)[C@H](c1ccccc1)N(C)C ZINC000891894175 689123546 /nfs/dbraw/zinc/12/35/46/689123546.db2.gz DJBYSXZALRQEAH-NUEKZKHPSA-N 1 3 354.445 2.222 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000892496626 689203586 /nfs/dbraw/zinc/20/35/86/689203586.db2.gz PSHLSLNQNAGOBN-INIZCTEOSA-N 1 3 350.507 2.439 20 0 FEADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000897555201 690038832 /nfs/dbraw/zinc/03/88/32/690038832.db2.gz NHFXNMIENGLWMO-YJBOKZPZSA-N 1 3 350.482 2.460 20 0 FEADHO CN(C)C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000897555201 690038834 /nfs/dbraw/zinc/03/88/34/690038834.db2.gz NHFXNMIENGLWMO-YJBOKZPZSA-N 1 3 350.482 2.460 20 0 FEADHO C[C@H](NCCOCC[NH+](C)C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903157456 690857569 /nfs/dbraw/zinc/85/75/69/690857569.db2.gz GSORNYWMMVWOAQ-LBPRGKRZSA-N 1 3 368.421 2.209 20 0 FEADHO COc1ccc(CN(C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1OC(F)F ZINC000903725055 690967413 /nfs/dbraw/zinc/96/74/13/690967413.db2.gz VQZRXTDTVBSKJY-KSSFIOAISA-N 1 3 356.413 2.497 20 0 FEADHO FC(F)(F)c1ccnc([C@@H]2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903827928 690975989 /nfs/dbraw/zinc/97/59/89/690975989.db2.gz ZTFORTVCKNEJBF-XJKCOSOUSA-N 1 3 356.392 2.053 20 0 FEADHO CC(=O)NCCN(Cc1ccc(Br)s1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350171 691021660 /nfs/dbraw/zinc/02/16/60/691021660.db2.gz HRYBVYONILOINT-TXEJJXNPSA-N 1 3 360.321 2.186 20 0 FEADHO CN(C)c1cc[nH+]c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164865772 721084424 /nfs/dbraw/zinc/08/44/24/721084424.db2.gz PJIWDFOVMSVZRT-RBUKOAKNSA-N 1 3 353.470 2.022 20 0 FEADHO CN(C)Cc1ccnc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@@H]32)c1 ZINC001164958922 722051393 /nfs/dbraw/zinc/05/13/93/722051393.db2.gz HRSNBPRVJFZJDR-OPYAIIAOSA-N 1 3 367.497 2.443 20 0 FEADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCN(c2ccncc2)CC1 ZINC000056946388 540756312 /nfs/dbraw/zinc/75/63/12/540756312.db2.gz LTKFYBKORWSHMT-KZNAEPCWSA-N 1 3 359.518 2.280 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000065639189 541250630 /nfs/dbraw/zinc/25/06/30/541250630.db2.gz ZJHWDKAQYQROSS-GOSISDBHSA-N 1 3 374.529 2.313 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000065639189 541250633 /nfs/dbraw/zinc/25/06/33/541250633.db2.gz ZJHWDKAQYQROSS-GOSISDBHSA-N 1 3 374.529 2.313 20 0 FEADHO CC1CCN(C[C@H](O)CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000067621012 541491443 /nfs/dbraw/zinc/49/14/43/541491443.db2.gz IDAISJQINKGJBQ-RBUKOAKNSA-N 1 3 368.566 2.033 20 0 FEADHO CC1CCN(C[C@H](O)CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000067621012 541491446 /nfs/dbraw/zinc/49/14/46/541491446.db2.gz IDAISJQINKGJBQ-RBUKOAKNSA-N 1 3 368.566 2.033 20 0 FEADHO CC[NH+](CC)CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000068563817 541609802 /nfs/dbraw/zinc/60/98/02/541609802.db2.gz UVIRSRSMEBKDCN-UHFFFAOYSA-N 1 3 356.461 2.380 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCCC3CC[NH+](C)CC3)CC2)c1 ZINC000073228566 541932752 /nfs/dbraw/zinc/93/27/52/541932752.db2.gz JYXQTWMYRBHQPM-UHFFFAOYSA-N 1 3 372.557 2.355 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(CC[NH+](C)C)CC(C)C)cc2)CC1 ZINC000073427005 541952456 /nfs/dbraw/zinc/95/24/56/541952456.db2.gz VRPDUZRGBNYIEJ-UHFFFAOYSA-N 1 3 360.546 2.488 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1c(C)noc1C ZINC000074222700 542055465 /nfs/dbraw/zinc/05/54/65/542055465.db2.gz GNFOAHWUXMNWEZ-WMLDXEAASA-N 1 3 365.522 2.410 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1c(C)noc1C ZINC000074222700 542055466 /nfs/dbraw/zinc/05/54/66/542055466.db2.gz GNFOAHWUXMNWEZ-WMLDXEAASA-N 1 3 365.522 2.410 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccn(C(C)C)n1 ZINC000074368069 542075730 /nfs/dbraw/zinc/07/57/30/542075730.db2.gz QCEQULBETMORDP-SFHVURJKSA-N 1 3 364.538 2.022 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccn(C(C)C)n1 ZINC000074368069 542075732 /nfs/dbraw/zinc/07/57/32/542075732.db2.gz QCEQULBETMORDP-SFHVURJKSA-N 1 3 364.538 2.022 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nc(C)c(C)s1 ZINC000074919014 542136530 /nfs/dbraw/zinc/13/65/30/542136530.db2.gz OYCJZVATQHDPHM-INIZCTEOSA-N 1 3 367.563 2.317 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1nc(C)c(C)s1 ZINC000074919014 542136536 /nfs/dbraw/zinc/13/65/36/542136536.db2.gz OYCJZVATQHDPHM-INIZCTEOSA-N 1 3 367.563 2.317 20 0 FEADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000075861011 542209861 /nfs/dbraw/zinc/20/98/61/542209861.db2.gz LVOBRNAZRLEXLB-GOSISDBHSA-N 1 3 360.502 2.209 20 0 FEADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000075861011 542209864 /nfs/dbraw/zinc/20/98/64/542209864.db2.gz LVOBRNAZRLEXLB-GOSISDBHSA-N 1 3 360.502 2.209 20 0 FEADHO CCN1CCC(NC(=O)CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000076110194 542234170 /nfs/dbraw/zinc/23/41/70/542234170.db2.gz KPZWPBNUBILSOK-HXUWFJFHSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCC(NC(=O)CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000076110194 542234174 /nfs/dbraw/zinc/23/41/74/542234174.db2.gz KPZWPBNUBILSOK-HXUWFJFHSA-N 1 3 372.557 2.041 20 0 FEADHO CC(C)CN1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000076425545 542277031 /nfs/dbraw/zinc/27/70/31/542277031.db2.gz HRKRRRVOQRTPSD-UHFFFAOYSA-N 1 3 372.557 2.172 20 0 FEADHO COc1cc(C[NH2+]CC2(O)CCN(C)CC2)ccc1OCC(F)(F)F ZINC000077450012 542383651 /nfs/dbraw/zinc/38/36/51/542383651.db2.gz LVNYUSGUAPEMQA-UHFFFAOYSA-N 1 3 362.392 2.183 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(F)cc1F ZINC000087237299 542743778 /nfs/dbraw/zinc/74/37/78/542743778.db2.gz RUHQWEFLWZUYRC-QGZVFWFLSA-N 1 3 353.457 2.382 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(F)cc1F ZINC000087237299 542743782 /nfs/dbraw/zinc/74/37/82/542743782.db2.gz RUHQWEFLWZUYRC-QGZVFWFLSA-N 1 3 353.457 2.382 20 0 FEADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000105114055 543158888 /nfs/dbraw/zinc/15/88/88/543158888.db2.gz GNBBVXAWDWGWLC-GOSISDBHSA-N 1 3 362.518 2.158 20 0 FEADHO CC[N@H+]1CCC[C@H](CNC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000105114055 543158893 /nfs/dbraw/zinc/15/88/93/543158893.db2.gz GNBBVXAWDWGWLC-GOSISDBHSA-N 1 3 362.518 2.158 20 0 FEADHO CC1CC[NH+](CCCNC(=O)N(CCN(C)C)Cc2ccccn2)CC1 ZINC000107387617 543269891 /nfs/dbraw/zinc/26/98/91/543269891.db2.gz IITPHVQCCYOJBT-UHFFFAOYSA-N 1 3 361.534 2.277 20 0 FEADHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc(C)c1OC(F)F ZINC000107595222 543273554 /nfs/dbraw/zinc/27/35/54/543273554.db2.gz BJBJVPRQCZFORP-UHFFFAOYSA-N 1 3 357.445 2.470 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N[C@@H]1CCN(CC2CC2)C1 ZINC000108574006 543295633 /nfs/dbraw/zinc/29/56/33/543295633.db2.gz AKCREKMNJOBVCJ-NHCUHLMSSA-N 1 3 370.541 2.335 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@@H]1CCN(CC2CC2)C1 ZINC000108574006 543295636 /nfs/dbraw/zinc/29/56/36/543295636.db2.gz AKCREKMNJOBVCJ-NHCUHLMSSA-N 1 3 370.541 2.335 20 0 FEADHO CCN1CCN(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000109112726 543313906 /nfs/dbraw/zinc/31/39/06/543313906.db2.gz GABUODITAJXYFI-OAQYLSRUSA-N 1 3 372.557 2.042 20 0 FEADHO CCN1CCN(CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000109112726 543313909 /nfs/dbraw/zinc/31/39/09/543313909.db2.gz GABUODITAJXYFI-OAQYLSRUSA-N 1 3 372.557 2.042 20 0 FEADHO CC(C)[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)N1CCN(C)CC1 ZINC000112914791 543467740 /nfs/dbraw/zinc/46/77/40/543467740.db2.gz GSKNGNRGDUBRGW-NRFANRHFSA-N 1 3 372.557 2.284 20 0 FEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000114823485 543538118 /nfs/dbraw/zinc/53/81/18/543538118.db2.gz YSBIRBQNWLHRTO-AZUAARDMSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000114823485 543538121 /nfs/dbraw/zinc/53/81/21/543538121.db2.gz YSBIRBQNWLHRTO-AZUAARDMSA-N 1 3 356.514 2.435 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCN2CCC[C@H](C)C2)[C@H](C)C1 ZINC000115797414 543586273 /nfs/dbraw/zinc/58/62/73/543586273.db2.gz VAEYEYZIOSADTL-OTWHNJEPSA-N 1 3 368.566 2.155 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCCN2CCC[C@H](C)C2)[C@H](C)C1 ZINC000115797414 543586274 /nfs/dbraw/zinc/58/62/74/543586274.db2.gz VAEYEYZIOSADTL-OTWHNJEPSA-N 1 3 368.566 2.155 20 0 FEADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000115816205 543587534 /nfs/dbraw/zinc/58/75/34/543587534.db2.gz PVAIIGHGLLGAQF-LJQANCHMSA-N 1 3 373.545 2.072 20 0 FEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000115816205 543587536 /nfs/dbraw/zinc/58/75/36/543587536.db2.gz PVAIIGHGLLGAQF-LJQANCHMSA-N 1 3 373.545 2.072 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000124722473 543839356 /nfs/dbraw/zinc/83/93/56/543839356.db2.gz AJVUCRBMTQWFQJ-YZGWKJHDSA-N 1 3 370.541 2.475 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000124722473 543839358 /nfs/dbraw/zinc/83/93/58/543839358.db2.gz AJVUCRBMTQWFQJ-YZGWKJHDSA-N 1 3 370.541 2.475 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C1CCN(C(C)C)CC1 ZINC000125268852 543871680 /nfs/dbraw/zinc/87/16/80/543871680.db2.gz LKLNHIQGTJGOLD-UHFFFAOYSA-N 1 3 367.559 2.477 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000125777740 543900919 /nfs/dbraw/zinc/90/09/19/543900919.db2.gz QZUZDSNVOLXJRT-QRFRQXIXSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000125777740 543900922 /nfs/dbraw/zinc/90/09/22/543900922.db2.gz QZUZDSNVOLXJRT-QRFRQXIXSA-N 1 3 356.514 2.290 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000126561670 543943416 /nfs/dbraw/zinc/94/34/16/543943416.db2.gz XQXYTNURVLZZBI-QGZVFWFLSA-N 1 3 362.493 2.383 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000126561670 543943418 /nfs/dbraw/zinc/94/34/18/543943418.db2.gz XQXYTNURVLZZBI-QGZVFWFLSA-N 1 3 362.493 2.383 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000130549879 544155373 /nfs/dbraw/zinc/15/53/73/544155373.db2.gz YCDPAFPAGKROML-UHFFFAOYSA-N 1 3 351.441 2.182 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCC(=O)OC(C)(C)C)CC1 ZINC000130667524 544159864 /nfs/dbraw/zinc/15/98/64/544159864.db2.gz ABDOCFBUKBLPFO-UHFFFAOYSA-N 1 3 369.550 2.134 20 0 FEADHO C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000132797611 544244151 /nfs/dbraw/zinc/24/41/51/544244151.db2.gz GRKVCSZFEJBUEZ-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000133893335 544286867 /nfs/dbraw/zinc/28/68/67/544286867.db2.gz RMAJBFLADIUBCY-DLBZAZTESA-N 1 3 359.518 2.248 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000133893335 544286869 /nfs/dbraw/zinc/28/68/69/544286869.db2.gz RMAJBFLADIUBCY-DLBZAZTESA-N 1 3 359.518 2.248 20 0 FEADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000151362856 544533076 /nfs/dbraw/zinc/53/30/76/544533076.db2.gz VIYAOJVNSBRLAY-QGZVFWFLSA-N 1 3 372.513 2.497 20 0 FEADHO COc1cc([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1S(C)(=O)=O ZINC000152423316 544651247 /nfs/dbraw/zinc/65/12/47/544651247.db2.gz VBUXDRCVWVBNKB-ZIAGYGMSSA-N 1 3 352.500 2.234 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000152770807 544693409 /nfs/dbraw/zinc/69/34/09/544693409.db2.gz PMTYCJVTELPQMY-LJQANCHMSA-N 1 3 358.530 2.013 20 0 FEADHO CN1CCN(CCCC[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000154364875 544896613 /nfs/dbraw/zinc/89/66/13/544896613.db2.gz TWYWHSKJWSKJFO-UHFFFAOYSA-N 1 3 358.574 2.311 20 0 FEADHO Cc1ccc(NC(=O)Nc2cnn(CCN(C)C)c2)c(OCC[NH+](C)C)c1 ZINC000154589496 544925781 /nfs/dbraw/zinc/92/57/81/544925781.db2.gz DCQQAHQFNTZZIY-UHFFFAOYSA-N 1 3 374.489 2.338 20 0 FEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)N(C)C)cc1 ZINC000155013446 544976756 /nfs/dbraw/zinc/97/67/56/544976756.db2.gz QOQMPJKGENZZMX-UXHICEINSA-N 1 3 359.514 2.357 20 0 FEADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)N(C)C)cc1 ZINC000155013446 544976761 /nfs/dbraw/zinc/97/67/61/544976761.db2.gz QOQMPJKGENZZMX-UXHICEINSA-N 1 3 359.514 2.357 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000184947892 327891327 /nfs/dbraw/zinc/89/13/27/327891327.db2.gz WVOUOJNYKYOYTF-NRFANRHFSA-N 1 3 372.557 2.213 20 0 FEADHO COc1cccc(COC[C@@H](O)CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000193080942 328356151 /nfs/dbraw/zinc/35/61/51/328356151.db2.gz VASBNZBBUZPYKW-FQEVSTJZSA-N 1 3 362.514 2.381 20 0 FEADHO C[C@@H](NC(=O)NCc1ccccc1OCCN(C)C)C(C)(C)C[NH+](C)C ZINC000085360056 325251255 /nfs/dbraw/zinc/25/12/55/325251255.db2.gz BOQGTWAHSJKYRT-MRXNPFEDSA-N 1 3 364.534 2.403 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000085389959 325252484 /nfs/dbraw/zinc/25/24/84/325252484.db2.gz UUHXYTCVATZPNG-LPHOPBHVSA-N 1 3 362.518 2.109 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000085389959 325252488 /nfs/dbraw/zinc/25/24/88/325252488.db2.gz UUHXYTCVATZPNG-LPHOPBHVSA-N 1 3 362.518 2.109 20 0 FEADHO COCc1nc2n(n1)C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000090395226 325357534 /nfs/dbraw/zinc/35/75/34/325357534.db2.gz DGTXVBYEEFTUKC-RDJZCZTQSA-N 1 3 373.501 2.031 20 0 FEADHO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000090395226 325357535 /nfs/dbraw/zinc/35/75/35/325357535.db2.gz DGTXVBYEEFTUKC-RDJZCZTQSA-N 1 3 373.501 2.031 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)CC[N@@H+]1C ZINC000091232823 325382006 /nfs/dbraw/zinc/38/20/06/325382006.db2.gz GRKCJWKDKPYYCF-VQIMIIECSA-N 1 3 359.518 2.422 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)CC[N@H+]1C ZINC000091232823 325382008 /nfs/dbraw/zinc/38/20/08/325382008.db2.gz GRKCJWKDKPYYCF-VQIMIIECSA-N 1 3 359.518 2.422 20 0 FEADHO COCCN1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCCCC3)C2)CC1 ZINC000107840126 325635706 /nfs/dbraw/zinc/63/57/06/325635706.db2.gz QAQNKJGLQWZIMY-LJQANCHMSA-N 1 3 366.550 2.147 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000119889621 326209695 /nfs/dbraw/zinc/20/96/95/326209695.db2.gz UUNLZMPIHIPFPJ-PKOBYXMFSA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000119889621 326209699 /nfs/dbraw/zinc/20/96/99/326209699.db2.gz UUNLZMPIHIPFPJ-PKOBYXMFSA-N 1 3 366.550 2.002 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C(C)C)N2CCOCC2)[C@H](C)C1 ZINC000120072573 326227793 /nfs/dbraw/zinc/22/77/93/326227793.db2.gz PKIGXNZVWPVEJU-AABGKKOBSA-N 1 3 355.567 2.070 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C(C)C)N2CCOCC2)[C@H](C)C1 ZINC000120072573 326227795 /nfs/dbraw/zinc/22/77/95/326227795.db2.gz PKIGXNZVWPVEJU-AABGKKOBSA-N 1 3 355.567 2.070 20 0 FEADHO CCOc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000120256856 326244550 /nfs/dbraw/zinc/24/45/50/326244550.db2.gz AHGWUEDFCLRSPO-UHFFFAOYSA-N 1 3 361.490 2.160 20 0 FEADHO C[C@@H](C(=O)NCc1ccccc1CN1CC[C@H](O)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000121482243 326341904 /nfs/dbraw/zinc/34/19/04/326341904.db2.gz REYDBUDATIROJF-CLWJZODNSA-N 1 3 359.514 2.131 20 0 FEADHO C[C@@H](C(=O)NCc1ccccc1CN1CC[C@H](O)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000121482243 326341905 /nfs/dbraw/zinc/34/19/05/326341905.db2.gz REYDBUDATIROJF-CLWJZODNSA-N 1 3 359.514 2.131 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000121650489 326354928 /nfs/dbraw/zinc/35/49/28/326354928.db2.gz LYARIWGFMWPWGE-OTWHNJEPSA-N 1 3 357.498 2.025 20 0 FEADHO CC(C)Cn1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000122121192 326384619 /nfs/dbraw/zinc/38/46/19/326384619.db2.gz VSUXPHXVJFBGLS-UHFFFAOYSA-N 1 3 362.522 2.219 20 0 FEADHO CCN1CCN(CCC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000122239333 326389387 /nfs/dbraw/zinc/38/93/87/326389387.db2.gz DIBAWWPDTIIFJX-UHFFFAOYSA-N 1 3 360.546 2.171 20 0 FEADHO CCN1CCN(CCC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000122239333 326389389 /nfs/dbraw/zinc/38/93/89/326389389.db2.gz DIBAWWPDTIIFJX-UHFFFAOYSA-N 1 3 360.546 2.171 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000154552808 326763068 /nfs/dbraw/zinc/76/30/68/326763068.db2.gz XUAXZOZDZLJUBG-UHFFFAOYSA-N 1 3 374.529 2.267 20 0 FEADHO C[NH+](C)CCCOc1cccc(NC(=O)C2(N)Cc3ccccc3C2)c1 ZINC000168764638 327087339 /nfs/dbraw/zinc/08/73/39/327087339.db2.gz HIVAZBIBVDFAPK-UHFFFAOYSA-N 1 3 353.466 2.452 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000168938703 327087635 /nfs/dbraw/zinc/08/76/35/327087635.db2.gz GDIHJRQHCKAPSH-FQEVSTJZSA-N 1 3 373.541 2.413 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000170962829 327110257 /nfs/dbraw/zinc/11/02/57/327110257.db2.gz ASGUORZAFATUMP-HXUWFJFHSA-N 1 3 373.545 2.382 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000170962829 327110258 /nfs/dbraw/zinc/11/02/58/327110258.db2.gz ASGUORZAFATUMP-HXUWFJFHSA-N 1 3 373.545 2.382 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171038850 327113834 /nfs/dbraw/zinc/11/38/34/327113834.db2.gz AMLMCLAAHVZREG-HXUWFJFHSA-N 1 3 356.514 2.315 20 0 FEADHO C[NH+](C)CCNC(=O)C1CCN(CCSc2ccccc2F)CC1 ZINC000171658277 327152817 /nfs/dbraw/zinc/15/28/17/327152817.db2.gz PWLUDYVXQLIUAM-UHFFFAOYSA-N 1 3 353.507 2.308 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000173703819 327278282 /nfs/dbraw/zinc/27/82/82/327278282.db2.gz OOILDHAWWVKHDS-HXUWFJFHSA-N 1 3 358.530 2.108 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000173703819 327278284 /nfs/dbraw/zinc/27/82/84/327278284.db2.gz OOILDHAWWVKHDS-HXUWFJFHSA-N 1 3 358.530 2.108 20 0 FEADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@H](N2CC=CC2)C1 ZINC000173781371 327283880 /nfs/dbraw/zinc/28/38/80/327283880.db2.gz DAJBCMRQOBZOPI-FQEVSTJZSA-N 1 3 354.498 2.438 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000174527129 327332868 /nfs/dbraw/zinc/33/28/68/327332868.db2.gz WSMNOTSUZDTDIM-GOSISDBHSA-N 1 3 354.539 2.003 20 0 FEADHO CC1CC[NH+](CCNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000174637359 327340555 /nfs/dbraw/zinc/34/05/55/327340555.db2.gz RROXSUPRWNHZEJ-UHFFFAOYSA-N 1 3 358.530 2.047 20 0 FEADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000174705182 327344797 /nfs/dbraw/zinc/34/47/97/327344797.db2.gz ZBWXUCGVUXNYEB-GOSISDBHSA-N 1 3 362.518 2.301 20 0 FEADHO C[C@H](C(=O)Nc1cccc(Cl)c1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174713251 327345141 /nfs/dbraw/zinc/34/51/41/327345141.db2.gz JQFLWXCSBONKQX-OAHLLOKOSA-N 1 3 352.910 2.236 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000176611187 327466003 /nfs/dbraw/zinc/46/60/03/327466003.db2.gz VPGOZHLPRZJHKZ-SFHVURJKSA-N 1 3 366.550 2.003 20 0 FEADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H](N)C3CCOCC3)c2)CC1 ZINC000261667077 328810191 /nfs/dbraw/zinc/81/01/91/328810191.db2.gz FZVXJQBTDYDNNO-FQEVSTJZSA-N 1 3 359.514 2.289 20 0 FEADHO C[NH2+]CCC1CCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000262023584 328836263 /nfs/dbraw/zinc/83/62/63/328836263.db2.gz IYIGMCCJCOJIPI-UHFFFAOYSA-N 1 3 372.557 2.355 20 0 FEADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000263119897 328917305 /nfs/dbraw/zinc/91/73/05/328917305.db2.gz AWLCNEYARKGBDH-FPOVZHCZSA-N 1 3 359.514 2.167 20 0 FEADHO CC[NH+](CC)Cc1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000264594607 329038734 /nfs/dbraw/zinc/03/87/34/329038734.db2.gz BOBDWVWIDXHZTQ-UHFFFAOYSA-N 1 3 360.546 2.238 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264658053 329045503 /nfs/dbraw/zinc/04/55/03/329045503.db2.gz YAJUYWCDHLHQNW-IBGZPJMESA-N 1 3 374.529 2.397 20 0 FEADHO C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000264658053 329045504 /nfs/dbraw/zinc/04/55/04/329045504.db2.gz YAJUYWCDHLHQNW-IBGZPJMESA-N 1 3 374.529 2.397 20 0 FEADHO CN(C)C/C=C/C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267301424 329312276 /nfs/dbraw/zinc/31/22/76/329312276.db2.gz XWTLZMUKTZDVOX-UXBLZVDNSA-N 1 3 359.514 2.292 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C[C@H]3CNCCO3)cc2)C1 ZINC000269236171 329499432 /nfs/dbraw/zinc/49/94/32/329499432.db2.gz NCMJGEHHZCDRCE-HLIPFELVSA-N 1 3 359.514 2.159 20 0 FEADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@@H](N)CCSC)ccc1OC ZINC000269263419 329501755 /nfs/dbraw/zinc/50/17/55/329501755.db2.gz XDBBIAWQTVFNBT-HNNXBMFYSA-N 1 3 369.531 2.435 20 0 FEADHO COc1ccccc1C1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000299679136 330197485 /nfs/dbraw/zinc/19/74/85/330197485.db2.gz WTDNSZJVYAHYOL-UHFFFAOYSA-N 1 3 371.525 2.402 20 0 FEADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000367030105 330209145 /nfs/dbraw/zinc/20/91/45/330209145.db2.gz OXSHYPFORANCIU-RTWAWAEBSA-N 1 3 371.525 2.248 20 0 FEADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000367030105 330209147 /nfs/dbraw/zinc/20/91/47/330209147.db2.gz OXSHYPFORANCIU-RTWAWAEBSA-N 1 3 371.525 2.248 20 0 FEADHO COc1ccc(C[C@@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)cn1 ZINC000414060929 330258900 /nfs/dbraw/zinc/25/89/00/330258900.db2.gz AIUHPSIHEXTMPO-GOSISDBHSA-N 1 3 369.513 2.218 20 0 FEADHO [NH3+]C1CCN(CCCC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000433163506 330274316 /nfs/dbraw/zinc/27/43/16/330274316.db2.gz PASOJJTVOAUHHB-FQEVSTJZSA-N 1 3 358.530 2.143 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC4(CC[NH2+]CC4)CC3)cc2)CC1 ZINC000477961116 561157199 /nfs/dbraw/zinc/15/71/99/561157199.db2.gz DNOZLGFMFCHARV-UHFFFAOYSA-N 1 3 370.541 2.434 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000171192626 546194967 /nfs/dbraw/zinc/19/49/67/546194967.db2.gz YJTBDDHTOKMXLG-UHFFFAOYSA-N 1 3 362.518 2.048 20 0 FEADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000479210100 561184868 /nfs/dbraw/zinc/18/48/68/561184868.db2.gz WNSDTRBKZOIEJK-GOSISDBHSA-N 1 3 359.445 2.125 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000479374510 561188370 /nfs/dbraw/zinc/18/83/70/561188370.db2.gz BYSADUQENVBVTK-APWZRJJASA-N 1 3 362.518 2.329 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000479374510 561188371 /nfs/dbraw/zinc/18/83/71/561188371.db2.gz BYSADUQENVBVTK-APWZRJJASA-N 1 3 362.518 2.329 20 0 FEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176350787 546434428 /nfs/dbraw/zinc/43/44/28/546434428.db2.gz ILWCXSOOGZKHOU-GOSISDBHSA-N 1 3 354.539 2.049 20 0 FEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176350787 546434431 /nfs/dbraw/zinc/43/44/31/546434431.db2.gz ILWCXSOOGZKHOU-GOSISDBHSA-N 1 3 354.539 2.049 20 0 FEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000176388322 546439343 /nfs/dbraw/zinc/43/93/43/546439343.db2.gz VFDRITAOLIDBRM-MOPGFXCFSA-N 1 3 374.529 2.395 20 0 FEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000176388173 546439513 /nfs/dbraw/zinc/43/95/13/546439513.db2.gz ZVTGQQDHRGFBSR-MOPGFXCFSA-N 1 3 374.529 2.395 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000176622015 546468053 /nfs/dbraw/zinc/46/80/53/546468053.db2.gz MNHAENXHSJNQQJ-UHFFFAOYSA-N 1 3 366.550 2.146 20 0 FEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000177541563 546640461 /nfs/dbraw/zinc/64/04/61/546640461.db2.gz BHEYVWHWHWYTMT-UYAOXDASSA-N 1 3 358.530 2.188 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481275715 561229577 /nfs/dbraw/zinc/22/95/77/561229577.db2.gz ONGDQEMQICPPMC-JTDSTZFVSA-N 1 3 370.607 2.479 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481275715 561229578 /nfs/dbraw/zinc/22/95/78/561229578.db2.gz ONGDQEMQICPPMC-JTDSTZFVSA-N 1 3 370.607 2.479 20 0 FEADHO Cc1ccc([C@H](CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)N(C)C)cc1 ZINC000481300618 561230235 /nfs/dbraw/zinc/23/02/35/561230235.db2.gz ULIJRCOSFILLDK-HKUYNNGSSA-N 1 3 364.559 2.334 20 0 FEADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000481805630 561242825 /nfs/dbraw/zinc/24/28/25/561242825.db2.gz BSWALGZZBPYHDF-GOSISDBHSA-N 1 3 356.580 2.187 20 0 FEADHO CC(C)(O)[C@@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000179432332 546951909 /nfs/dbraw/zinc/95/19/09/546951909.db2.gz DTWYJPIOTCTPET-IBGZPJMESA-N 1 3 359.514 2.134 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]CC2(N3CCCC3)CCOCC2)[C@@H](C)C1 ZINC000482568169 561256191 /nfs/dbraw/zinc/25/61/91/561256191.db2.gz WBBCCEHLAYILRY-PMACEKPBSA-N 1 3 367.578 2.358 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(Cl)cn3)CC2)CC1 ZINC000180698792 547161241 /nfs/dbraw/zinc/16/12/41/547161241.db2.gz FFYOZDJHGGDLOX-UHFFFAOYSA-N 1 3 365.909 2.093 20 0 FEADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000483766215 561283621 /nfs/dbraw/zinc/28/36/21/561283621.db2.gz APECABBIVXEVLN-ROUUACIJSA-N 1 3 368.566 2.392 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000183588473 547685110 /nfs/dbraw/zinc/68/51/10/547685110.db2.gz XGDAMXQPOFQPTG-DLBZAZTESA-N 1 3 368.566 2.390 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000183588473 547685112 /nfs/dbraw/zinc/68/51/12/547685112.db2.gz XGDAMXQPOFQPTG-DLBZAZTESA-N 1 3 368.566 2.390 20 0 FEADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000184295079 547802475 /nfs/dbraw/zinc/80/24/75/547802475.db2.gz WTDKGVSRFFPDOQ-PZJWPPBQSA-N 1 3 372.557 2.041 20 0 FEADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000184295079 547802480 /nfs/dbraw/zinc/80/24/80/547802480.db2.gz WTDKGVSRFFPDOQ-PZJWPPBQSA-N 1 3 372.557 2.041 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000185341073 547973075 /nfs/dbraw/zinc/97/30/75/547973075.db2.gz CWDROFODTYNTJS-IBGZPJMESA-N 1 3 358.530 2.287 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000185341073 547973080 /nfs/dbraw/zinc/97/30/80/547973080.db2.gz CWDROFODTYNTJS-IBGZPJMESA-N 1 3 358.530 2.287 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000485790862 561328215 /nfs/dbraw/zinc/32/82/15/561328215.db2.gz UFFHFENAYNJLDT-PVAVHDDUSA-N 1 3 353.470 2.052 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC[C@H]3CCCCO3)CC2)CC1 ZINC000186427790 548134504 /nfs/dbraw/zinc/13/45/04/548134504.db2.gz WWAPNTQNMAWYMH-LJQANCHMSA-N 1 3 366.550 2.194 20 0 FEADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CN2CCN1CCC2 ZINC000486615688 561352393 /nfs/dbraw/zinc/35/23/93/561352393.db2.gz PFPAXPJMJHJOMH-NRFANRHFSA-N 1 3 370.541 2.069 20 0 FEADHO Cc1c(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)nnn1C1CC[NH2+]CC1 ZINC000236797127 548779977 /nfs/dbraw/zinc/77/99/77/548779977.db2.gz LCRNPUWRFOUDKJ-SFHVURJKSA-N 1 3 370.501 2.064 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)C2([NH3+])CCCC2)cc1)[C@@H]1CCCN(C)C1 ZINC000237180673 548806514 /nfs/dbraw/zinc/80/65/14/548806514.db2.gz XYIIPDDUXOMPKY-QGZVFWFLSA-N 1 3 358.486 2.063 20 0 FEADHO C[C@@H](CC(=O)NCC1(N2CCSCC2)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000237412079 548824041 /nfs/dbraw/zinc/82/40/41/548824041.db2.gz MRIFNTIGNUJSPN-IRXDYDNUSA-N 1 3 353.576 2.490 20 0 FEADHO C[C@@H](CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000237485124 548829046 /nfs/dbraw/zinc/82/90/46/548829046.db2.gz VSURBJTYZXXABI-RXVVDRJESA-N 1 3 372.557 2.076 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)C[C@H](C)O1 ZINC000237773875 548852323 /nfs/dbraw/zinc/85/23/23/548852323.db2.gz SOTVCLXPOQPZRM-ZIFCJYIRSA-N 1 3 363.546 2.114 20 0 FEADHO O=C(N[C@@H]1CCC[NH2+]C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237784137 548852974 /nfs/dbraw/zinc/85/29/74/548852974.db2.gz ODGFYQKGEWNOCP-WBVHZDCISA-N 1 3 355.404 2.309 20 0 FEADHO CN(C)C(=O)[C@@H]1CC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000245680744 548972627 /nfs/dbraw/zinc/97/26/27/548972627.db2.gz IUVBCTZQLOVFBC-ADAARDCZSA-N 1 3 371.525 2.407 20 0 FEADHO CN(C)C(=O)[C@@H]1CC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000245680744 548972633 /nfs/dbraw/zinc/97/26/33/548972633.db2.gz IUVBCTZQLOVFBC-ADAARDCZSA-N 1 3 371.525 2.407 20 0 FEADHO CN(C)C(=O)[C@@H]1CC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000245680746 548973533 /nfs/dbraw/zinc/97/35/33/548973533.db2.gz IUVBCTZQLOVFBC-SSTJLMRISA-N 1 3 371.525 2.407 20 0 FEADHO CN(C)C(=O)[C@@H]1CC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000245680746 548973536 /nfs/dbraw/zinc/97/35/36/548973536.db2.gz IUVBCTZQLOVFBC-SSTJLMRISA-N 1 3 371.525 2.407 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000246292477 549098796 /nfs/dbraw/zinc/09/87/96/549098796.db2.gz AJVUCRBMTQWFQJ-MISYRCLQSA-N 1 3 370.541 2.475 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000246292477 549098802 /nfs/dbraw/zinc/09/88/02/549098802.db2.gz AJVUCRBMTQWFQJ-MISYRCLQSA-N 1 3 370.541 2.475 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000246527561 549154118 /nfs/dbraw/zinc/15/41/18/549154118.db2.gz XRBNIVJNFRSMPA-MSOLQXFVSA-N 1 3 360.502 2.005 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000246527561 549154121 /nfs/dbraw/zinc/15/41/21/549154121.db2.gz XRBNIVJNFRSMPA-MSOLQXFVSA-N 1 3 360.502 2.005 20 0 FEADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247939814 549393026 /nfs/dbraw/zinc/39/30/26/549393026.db2.gz CXDYPRHZQXWEEJ-ZBFHGGJFSA-N 1 3 372.506 2.117 20 0 FEADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247939814 549393029 /nfs/dbraw/zinc/39/30/29/549393029.db2.gz CXDYPRHZQXWEEJ-ZBFHGGJFSA-N 1 3 372.506 2.117 20 0 FEADHO CN1CCC[C@@H]2C[N@H+](CCCCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000247987010 549397880 /nfs/dbraw/zinc/39/78/80/549397880.db2.gz IXJOBKWFVNCHAM-VQIMIIECSA-N 1 3 355.482 2.479 20 0 FEADHO CN1CCC[C@@H]2C[N@@H+](CCCCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000247987010 549397884 /nfs/dbraw/zinc/39/78/84/549397884.db2.gz IXJOBKWFVNCHAM-VQIMIIECSA-N 1 3 355.482 2.479 20 0 FEADHO C[N@@H+]1CCC[C@@H]2CN(CCCCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000247987010 549397889 /nfs/dbraw/zinc/39/78/89/549397889.db2.gz IXJOBKWFVNCHAM-VQIMIIECSA-N 1 3 355.482 2.479 20 0 FEADHO C[N@H+]1CCC[C@@H]2CN(CCCCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000247987010 549397892 /nfs/dbraw/zinc/39/78/92/549397892.db2.gz IXJOBKWFVNCHAM-VQIMIIECSA-N 1 3 355.482 2.479 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000248716642 549489664 /nfs/dbraw/zinc/48/96/64/549489664.db2.gz ATECOOWPVYQANW-VQIMIIECSA-N 1 3 374.529 2.266 20 0 FEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000489601396 561415133 /nfs/dbraw/zinc/41/51/33/561415133.db2.gz CNHKUBNVZXAWID-ROUUACIJSA-N 1 3 350.551 2.480 20 0 FEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000489601396 561415134 /nfs/dbraw/zinc/41/51/34/561415134.db2.gz CNHKUBNVZXAWID-ROUUACIJSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000261754178 549751302 /nfs/dbraw/zinc/75/13/02/549751302.db2.gz HNEJVMGFOVYDKN-SCTDSRPQSA-N 1 3 351.535 2.114 20 0 FEADHO COc1cc(NC(=O)CCN2CC[C@](C)(C[NH3+])C2)c(OC)cc1Cl ZINC000261856797 549762378 /nfs/dbraw/zinc/76/23/78/549762378.db2.gz RXCVRNRHXYNOQE-QGZVFWFLSA-N 1 3 355.866 2.357 20 0 FEADHO COc1cc(NC(=O)CC[N@@H+]2CC[C@](C)(CN)C2)c(OC)cc1Cl ZINC000261856797 549762382 /nfs/dbraw/zinc/76/23/82/549762382.db2.gz RXCVRNRHXYNOQE-QGZVFWFLSA-N 1 3 355.866 2.357 20 0 FEADHO COc1cc(NC(=O)CC[N@H+]2CC[C@](C)(CN)C2)c(OC)cc1Cl ZINC000261856797 549762386 /nfs/dbraw/zinc/76/23/86/549762386.db2.gz RXCVRNRHXYNOQE-QGZVFWFLSA-N 1 3 355.866 2.357 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1)[C@@H]1CCC[NH2+]1 ZINC000261887761 549765902 /nfs/dbraw/zinc/76/59/02/549765902.db2.gz QEBMKYIHSNJQOV-JXFKEZNVSA-N 1 3 352.482 2.315 20 0 FEADHO NC1(C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CCCCC1 ZINC000262661973 549836260 /nfs/dbraw/zinc/83/62/60/549836260.db2.gz GPWHBYDMSAIDPR-LJQANCHMSA-N 1 3 359.514 2.210 20 0 FEADHO [NH3+][C@@H]1CCC[C@H](C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000262665577 549836892 /nfs/dbraw/zinc/83/68/92/549836892.db2.gz PIJYXFKIQDHNBO-XUVXKRRUSA-N 1 3 359.514 2.066 20 0 FEADHO CC1(C)CN(C2(CNC(=O)C[C@H]3CSCC[NH2+]3)CCCCC2)CCO1 ZINC000262801356 549851301 /nfs/dbraw/zinc/85/13/01/549851301.db2.gz PCWZKNIZSSRVRK-INIZCTEOSA-N 1 3 369.575 2.011 20 0 FEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000492728533 561452445 /nfs/dbraw/zinc/45/24/45/561452445.db2.gz OUFQHNHFBYPZRS-CRAIPNDOSA-N 1 3 350.507 2.327 20 0 FEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000492728533 561452446 /nfs/dbraw/zinc/45/24/46/561452446.db2.gz OUFQHNHFBYPZRS-CRAIPNDOSA-N 1 3 350.507 2.327 20 0 FEADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNC[C@H]1CCCO1 ZINC000269246060 550171915 /nfs/dbraw/zinc/17/19/15/550171915.db2.gz DSVNTLCHHXKWOZ-VQTJNVASSA-N 1 3 359.514 2.126 20 0 FEADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNC[C@H]1CCCO1 ZINC000269246060 550171916 /nfs/dbraw/zinc/17/19/16/550171916.db2.gz DSVNTLCHHXKWOZ-VQTJNVASSA-N 1 3 359.514 2.126 20 0 FEADHO CC(C)N(CCN(C)C)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000269727280 550220938 /nfs/dbraw/zinc/22/09/38/550220938.db2.gz ULIYWPOKIIADRA-UHFFFAOYSA-N 1 3 364.534 2.499 20 0 FEADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000270899660 550318867 /nfs/dbraw/zinc/31/88/67/550318867.db2.gz RZEIVKKFUAAZGE-RTWAWAEBSA-N 1 3 371.525 2.248 20 0 FEADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000270899660 550318869 /nfs/dbraw/zinc/31/88/69/550318869.db2.gz RZEIVKKFUAAZGE-RTWAWAEBSA-N 1 3 371.525 2.248 20 0 FEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000271056899 550336315 /nfs/dbraw/zinc/33/63/15/550336315.db2.gz UVYTUIBOBNYSCT-HXUWFJFHSA-N 1 3 373.541 2.305 20 0 FEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000271056899 550336317 /nfs/dbraw/zinc/33/63/17/550336317.db2.gz UVYTUIBOBNYSCT-HXUWFJFHSA-N 1 3 373.541 2.305 20 0 FEADHO CN(C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000276837991 550601637 /nfs/dbraw/zinc/60/16/37/550601637.db2.gz IKIIBMLWWSNNAU-RTBURBONSA-N 1 3 367.497 2.154 20 0 FEADHO C[C@H](CC[NH+](C)C)NC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000277603141 550690602 /nfs/dbraw/zinc/69/06/02/550690602.db2.gz HCBBEYPQCNXPNW-MRXNPFEDSA-N 1 3 357.502 2.182 20 0 FEADHO CC1(C)CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CCN1Cc1ccccc1 ZINC000278648440 550808084 /nfs/dbraw/zinc/80/80/84/550808084.db2.gz AIUWHISRBBQKJQ-QGZVFWFLSA-N 1 3 367.497 2.223 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)N2CCCC2)cc1 ZINC000278933463 550837519 /nfs/dbraw/zinc/83/75/19/550837519.db2.gz FJWZOICNDUAAIQ-YLJYHZDGSA-N 1 3 367.497 2.362 20 0 FEADHO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N1CCN2CCC1CC2 ZINC000496224517 561493172 /nfs/dbraw/zinc/49/31/72/561493172.db2.gz UEECZJXPQAJMJZ-UHFFFAOYSA-N 1 3 366.575 2.228 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000284496543 551562114 /nfs/dbraw/zinc/56/21/14/551562114.db2.gz BZPHCJMSKRONCK-LPHOPBHVSA-N 1 3 362.518 2.329 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000284496543 551562115 /nfs/dbraw/zinc/56/21/15/551562115.db2.gz BZPHCJMSKRONCK-LPHOPBHVSA-N 1 3 362.518 2.329 20 0 FEADHO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H](c1ccccc1)N(C)C ZINC000498610579 561530168 /nfs/dbraw/zinc/53/01/68/561530168.db2.gz QKDNVQSSSKDYIP-VDZJLULYSA-N 1 3 364.559 2.414 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)NCC3([NH+](C)C)CCC3)cc2)CC1 ZINC000285370545 551745039 /nfs/dbraw/zinc/74/50/39/551745039.db2.gz KRCMXQLMVGJCGU-UHFFFAOYSA-N 1 3 374.529 2.443 20 0 FEADHO CN(C)C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(F)cc1 ZINC000287611606 552025319 /nfs/dbraw/zinc/02/53/19/552025319.db2.gz MGGVKTPJVLHOCM-WMZOPIPTSA-N 1 3 368.522 2.165 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000499803968 561558885 /nfs/dbraw/zinc/55/88/85/561558885.db2.gz UAXWYZBDIFYTCX-GOSISDBHSA-N 1 3 366.550 2.003 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000499803968 561558886 /nfs/dbraw/zinc/55/88/86/561558886.db2.gz UAXWYZBDIFYTCX-GOSISDBHSA-N 1 3 366.550 2.003 20 0 FEADHO Cc1cc(CN(C)CC[N@H+](C)C2CCN(C)CC2)ccc1-n1cncn1 ZINC000289422013 552318809 /nfs/dbraw/zinc/31/88/09/552318809.db2.gz JHEUNQIXGMQSNU-UHFFFAOYSA-N 1 3 356.518 2.034 20 0 FEADHO Cc1cc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)ccc1-n1cncn1 ZINC000289422013 552318810 /nfs/dbraw/zinc/31/88/10/552318810.db2.gz JHEUNQIXGMQSNU-UHFFFAOYSA-N 1 3 356.518 2.034 20 0 FEADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)C(C)(C)n2cncn2)CC1 ZINC000289679652 552361104 /nfs/dbraw/zinc/36/11/04/552361104.db2.gz JOCXZFWSLSOMHS-GOSISDBHSA-N 1 3 370.545 2.329 20 0 FEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000289863223 552391082 /nfs/dbraw/zinc/39/10/82/552391082.db2.gz CWXCYEWLLLITGG-PMACEKPBSA-N 1 3 358.530 2.093 20 0 FEADHO COc1ccc(C[C@](C)(O)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000290060270 552421545 /nfs/dbraw/zinc/42/15/45/552421545.db2.gz FOMQCNBCUJHCSB-MJEZEWASSA-N 1 3 350.503 2.316 20 0 FEADHO COc1ccc(C[C@](C)(O)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000290060270 552421546 /nfs/dbraw/zinc/42/15/46/552421546.db2.gz FOMQCNBCUJHCSB-MJEZEWASSA-N 1 3 350.503 2.316 20 0 FEADHO COc1ccc(C[C@](C)(O)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000290060287 552421559 /nfs/dbraw/zinc/42/15/59/552421559.db2.gz FOMQCNBCUJHCSB-VZHLBOQGSA-N 1 3 350.503 2.316 20 0 FEADHO COc1ccc(C[C@](C)(O)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000290060287 552421560 /nfs/dbraw/zinc/42/15/60/552421560.db2.gz FOMQCNBCUJHCSB-VZHLBOQGSA-N 1 3 350.503 2.316 20 0 FEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000290117124 552429982 /nfs/dbraw/zinc/42/99/82/552429982.db2.gz YTCKJLHBBQUQHQ-DUXKGJEZSA-N 1 3 373.541 2.279 20 0 FEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000290142842 552433967 /nfs/dbraw/zinc/43/39/67/552433967.db2.gz MQODNRAELMAQNN-NHCUHLMSSA-N 1 3 372.557 2.089 20 0 FEADHO COc1cccc(OC)c1OCCCC[NH+]1CCC(N(C)CCO)CC1 ZINC000290254729 552449014 /nfs/dbraw/zinc/44/90/14/552449014.db2.gz KCWKQZAWGVOFPT-UHFFFAOYSA-N 1 3 366.502 2.251 20 0 FEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000500855404 561584281 /nfs/dbraw/zinc/58/42/81/561584281.db2.gz ARWRTQAWIYTJPO-QGZVFWFLSA-N 1 3 368.566 2.440 20 0 FEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000500855404 561584282 /nfs/dbraw/zinc/58/42/82/561584282.db2.gz ARWRTQAWIYTJPO-QGZVFWFLSA-N 1 3 368.566 2.440 20 0 FEADHO CC(C)N1CCN(CCC[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)CC1 ZINC000500979618 561587037 /nfs/dbraw/zinc/58/70/37/561587037.db2.gz CBRIBEJLRGOVRP-RBUKOAKNSA-N 1 3 355.592 2.389 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)CC1 ZINC000500979618 561587038 /nfs/dbraw/zinc/58/70/38/561587038.db2.gz CBRIBEJLRGOVRP-RBUKOAKNSA-N 1 3 355.592 2.389 20 0 FEADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)CC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000292047954 552688059 /nfs/dbraw/zinc/68/80/59/552688059.db2.gz IVWLHUKINUBCRU-HNNXBMFYSA-N 1 3 373.501 2.373 20 0 FEADHO CN1CCN(CCCNC(=O)CC[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000292166542 552700628 /nfs/dbraw/zinc/70/06/28/552700628.db2.gz VPBMQWXBSXMRQZ-WOJBJXKFSA-N 1 3 358.530 2.014 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000292828386 552762451 /nfs/dbraw/zinc/76/24/51/552762451.db2.gz BJHBSIJEHOGVHY-UYAOXDASSA-N 1 3 356.514 2.041 20 0 FEADHO CCOC(=O)[C@](C)(O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293237326 552802056 /nfs/dbraw/zinc/80/20/56/552802056.db2.gz HOAGUSASOXAFKN-HXUWFJFHSA-N 1 3 360.498 2.289 20 0 FEADHO CC[NH+]1CCN(CCC(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)CC1 ZINC000501617820 561602284 /nfs/dbraw/zinc/60/22/84/561602284.db2.gz IGWAERVJGBWLSH-WOJBJXKFSA-N 1 3 372.557 2.135 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)cc2)CC1 ZINC000293974252 552872209 /nfs/dbraw/zinc/87/22/09/552872209.db2.gz UYYBOUDROIGUBA-JOCHJYFZSA-N 1 3 370.541 2.385 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)cc2)CC1 ZINC000293974252 552872210 /nfs/dbraw/zinc/87/22/10/552872210.db2.gz UYYBOUDROIGUBA-JOCHJYFZSA-N 1 3 370.541 2.385 20 0 FEADHO OCCCN1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000295045199 552953814 /nfs/dbraw/zinc/95/38/14/552953814.db2.gz FFJIZPAUTZSCNG-CLAROIROSA-N 1 3 357.542 2.333 20 0 FEADHO OCCCN1CCC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000295045199 552953816 /nfs/dbraw/zinc/95/38/16/552953816.db2.gz FFJIZPAUTZSCNG-CLAROIROSA-N 1 3 357.542 2.333 20 0 FEADHO OCCCN1CCC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000295045199 552953818 /nfs/dbraw/zinc/95/38/18/552953818.db2.gz FFJIZPAUTZSCNG-CLAROIROSA-N 1 3 357.542 2.333 20 0 FEADHO C[C@@H]1CCN(C)CCN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000502772315 561625038 /nfs/dbraw/zinc/62/50/38/561625038.db2.gz FMBZZHVRJWLNOA-QGZVFWFLSA-N 1 3 362.518 2.253 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000298236058 553401945 /nfs/dbraw/zinc/40/19/45/553401945.db2.gz BVERRGIJKSBEQP-PMACEKPBSA-N 1 3 374.573 2.275 20 0 FEADHO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000298381294 553418680 /nfs/dbraw/zinc/41/86/80/553418680.db2.gz CTPWZCHACJQVBH-IBGZPJMESA-N 1 3 363.502 2.189 20 0 FEADHO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000298381294 553418681 /nfs/dbraw/zinc/41/86/81/553418681.db2.gz CTPWZCHACJQVBH-IBGZPJMESA-N 1 3 363.502 2.189 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312682221 553756491 /nfs/dbraw/zinc/75/64/91/553756491.db2.gz PIKGRZQEJQLYAE-MOXWOTFGSA-N 1 3 371.525 2.157 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312682221 553756493 /nfs/dbraw/zinc/75/64/93/553756493.db2.gz PIKGRZQEJQLYAE-MOXWOTFGSA-N 1 3 371.525 2.157 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000509411963 561798381 /nfs/dbraw/zinc/79/83/81/561798381.db2.gz YEZHLDZCHDVNEC-QUCCMNQESA-N 1 3 356.514 2.072 20 0 FEADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccccc3N3CCOCC3)CC2)C1 ZINC000333116144 554574136 /nfs/dbraw/zinc/57/41/36/554574136.db2.gz HJQPQFYNCVSRIM-TZIWHRDSSA-N 1 3 359.514 2.242 20 0 FEADHO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc4c(c3)CNCCO4)C2)CC1 ZINC000333284741 554598701 /nfs/dbraw/zinc/59/87/01/554598701.db2.gz IDYDVPMLKYIIRI-MRXNPFEDSA-N 1 3 358.486 2.364 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333399228 554609464 /nfs/dbraw/zinc/60/94/64/554609464.db2.gz PSBKWZVVEDFYKY-MRXNPFEDSA-N 1 3 354.564 2.179 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NCC2(N3CCSCC3)CCCCC2)CC[NH2+]1 ZINC000333437341 554613146 /nfs/dbraw/zinc/61/31/46/554613146.db2.gz VNUQNYWFRPDSHY-HOTGVXAUSA-N 1 3 354.564 2.178 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](N(C)Cc3ccccn3)CC2)CC[NH2+]1 ZINC000333772939 554641693 /nfs/dbraw/zinc/64/16/93/554641693.db2.gz CITPCULAJPRQQQ-ZIFCJYIRSA-N 1 3 359.518 2.218 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000333918969 554656063 /nfs/dbraw/zinc/65/60/63/554656063.db2.gz OOZBMYDQBSTMQC-SXLOBPIMSA-N 1 3 356.514 2.338 20 0 FEADHO CN1CCC2(CCCN2C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000362088834 554949609 /nfs/dbraw/zinc/94/96/09/554949609.db2.gz YVTDIFYAQBPEDT-UHFFFAOYSA-N 1 3 374.529 2.397 20 0 FEADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000363570383 555139255 /nfs/dbraw/zinc/13/92/55/555139255.db2.gz YGBLWGGLWYAOFG-WOJBJXKFSA-N 1 3 374.529 2.191 20 0 FEADHO C[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000363782381 555185153 /nfs/dbraw/zinc/18/51/53/555185153.db2.gz HEQTXQISQZZOSJ-CPLUKWAASA-N 1 3 370.501 2.202 20 0 FEADHO C[C@H](N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000363782381 555185155 /nfs/dbraw/zinc/18/51/55/555185155.db2.gz HEQTXQISQZZOSJ-CPLUKWAASA-N 1 3 370.501 2.202 20 0 FEADHO COC(=O)c1ccccc1CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000363940579 555218425 /nfs/dbraw/zinc/21/84/25/555218425.db2.gz SQXXASZDKIWYPB-UHFFFAOYSA-N 1 3 373.541 2.365 20 0 FEADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000364732691 555388536 /nfs/dbraw/zinc/38/85/36/555388536.db2.gz GUXXNIPUDSFFJV-KZNAEPCWSA-N 1 3 366.550 2.002 20 0 FEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000365701771 555644781 /nfs/dbraw/zinc/64/47/81/555644781.db2.gz CPTVHZPIECNHRZ-DLBZAZTESA-N 1 3 354.539 2.002 20 0 FEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000365701771 555644784 /nfs/dbraw/zinc/64/47/84/555644784.db2.gz CPTVHZPIECNHRZ-DLBZAZTESA-N 1 3 354.539 2.002 20 0 FEADHO C[N@@H+]1CC[C@H](NCCN2CCN(c3ccc(F)cc3)CC2)[C@H]2CCC[C@@H]21 ZINC000514090683 561960006 /nfs/dbraw/zinc/96/00/06/561960006.db2.gz WEKSRMKHUBJMNS-HKBOAZHASA-N 1 3 360.521 2.410 20 0 FEADHO C[N@H+]1CC[C@H](NCCN2CCN(c3ccc(F)cc3)CC2)[C@H]2CCC[C@@H]21 ZINC000514090683 561960007 /nfs/dbraw/zinc/96/00/07/561960007.db2.gz WEKSRMKHUBJMNS-HKBOAZHASA-N 1 3 360.521 2.410 20 0 FEADHO CN1CCN(C(=O)c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000514096215 561960090 /nfs/dbraw/zinc/96/00/90/561960090.db2.gz VJBLCYPEXGCCLJ-PWRODBHTSA-N 1 3 370.541 2.037 20 0 FEADHO CN1CCN(C(=O)c2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000514096215 561960092 /nfs/dbraw/zinc/96/00/92/561960092.db2.gz VJBLCYPEXGCCLJ-PWRODBHTSA-N 1 3 370.541 2.037 20 0 FEADHO CN1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000514096215 561960094 /nfs/dbraw/zinc/96/00/94/561960094.db2.gz VJBLCYPEXGCCLJ-PWRODBHTSA-N 1 3 370.541 2.037 20 0 FEADHO N[C@@H]1C[C@H]2C[N@H+](CC(Cc3ccccc3)Cc3ccccc3)CCN2C1=O ZINC000514615560 561970233 /nfs/dbraw/zinc/97/02/33/561970233.db2.gz ZQEIBVKVLUBCMZ-FCHUYYIVSA-N 1 3 363.505 2.332 20 0 FEADHO N[C@@H]1C[C@H]2C[N@@H+](CC(Cc3ccccc3)Cc3ccccc3)CCN2C1=O ZINC000514615560 561970235 /nfs/dbraw/zinc/97/02/35/561970235.db2.gz ZQEIBVKVLUBCMZ-FCHUYYIVSA-N 1 3 363.505 2.332 20 0 FEADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000367908567 556169644 /nfs/dbraw/zinc/16/96/44/556169644.db2.gz BXDIGEGYAMEYCO-AEFFLSMTSA-N 1 3 354.502 2.086 20 0 FEADHO CN1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000368092231 556216774 /nfs/dbraw/zinc/21/67/74/556216774.db2.gz ZVBPFXMDFHRLBC-CQSZACIVSA-N 1 3 359.905 2.462 20 0 FEADHO CN1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000368092231 556216776 /nfs/dbraw/zinc/21/67/76/556216776.db2.gz ZVBPFXMDFHRLBC-CQSZACIVSA-N 1 3 359.905 2.462 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368097121 556218852 /nfs/dbraw/zinc/21/88/52/556218852.db2.gz DRBAJFFKIGWXFW-DLBZAZTESA-N 1 3 365.468 2.491 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@@H](C)C1 ZINC000368153734 556231571 /nfs/dbraw/zinc/23/15/71/556231571.db2.gz USGJYYHMVBHCHY-ABSDTBQOSA-N 1 3 371.541 2.452 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@@H](C)C1 ZINC000368153734 556231575 /nfs/dbraw/zinc/23/15/75/556231575.db2.gz USGJYYHMVBHCHY-ABSDTBQOSA-N 1 3 371.541 2.452 20 0 FEADHO COCC[C@H]1COCCN1CCCCCC[N@@H+]1CCOC[C@@H]1CCOC ZINC000368270024 556264114 /nfs/dbraw/zinc/26/41/14/556264114.db2.gz QTPKQRFMWASDOT-PMACEKPBSA-N 1 3 372.550 2.021 20 0 FEADHO COCC[C@H]1COCCN1CCCCCC[N@H+]1CCOC[C@@H]1CCOC ZINC000368270024 556264119 /nfs/dbraw/zinc/26/41/19/556264119.db2.gz QTPKQRFMWASDOT-PMACEKPBSA-N 1 3 372.550 2.021 20 0 FEADHO CC(C)N(C(=O)[C@H](C)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C(C)C ZINC000368334793 556280903 /nfs/dbraw/zinc/28/09/03/556280903.db2.gz WSOQOAUAFXIDHW-IBGZPJMESA-N 1 3 366.594 2.370 20 0 FEADHO O[C@H](COCC(F)(F)F)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368396567 556296344 /nfs/dbraw/zinc/29/63/44/556296344.db2.gz DUMFRJBBYYODLY-KSZLIROESA-N 1 3 372.431 2.380 20 0 FEADHO O[C@H](COCC(F)(F)F)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368396567 556296345 /nfs/dbraw/zinc/29/63/45/556296345.db2.gz DUMFRJBBYYODLY-KSZLIROESA-N 1 3 372.431 2.380 20 0 FEADHO O=C(NCC1CC[NH+](C2CC2)CC1)C1CCN(Cc2cccnc2)CC1 ZINC000368473416 556320304 /nfs/dbraw/zinc/32/03/04/556320304.db2.gz HGMYGYKZYQWIRB-UHFFFAOYSA-N 1 3 356.514 2.284 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N2CC[NH+]3CCC2CC3)N2CCCC2)cc1 ZINC000368496725 556327075 /nfs/dbraw/zinc/32/70/75/556327075.db2.gz RJHNRUQDMGZHNJ-HXUWFJFHSA-N 1 3 372.513 2.322 20 0 FEADHO Cc1nn(C)c2ncc(CNCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc12 ZINC000515434636 562010513 /nfs/dbraw/zinc/01/05/13/562010513.db2.gz MXYITPJTUZHETI-LJQANCHMSA-N 1 3 365.481 2.133 20 0 FEADHO Cc1nn(C)c2ncc(CNCc3ccccc3C[N@H+]3CC[C@@H](O)C3)cc12 ZINC000515434636 562010514 /nfs/dbraw/zinc/01/05/14/562010514.db2.gz MXYITPJTUZHETI-LJQANCHMSA-N 1 3 365.481 2.133 20 0 FEADHO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc(Oc4cnccn4)cc3)C2)nn1 ZINC000515615156 562017206 /nfs/dbraw/zinc/01/72/06/562017206.db2.gz UXESGJPNIKCSRF-QGZVFWFLSA-N 1 3 365.441 2.156 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000515755892 562021083 /nfs/dbraw/zinc/02/10/83/562021083.db2.gz UTEFGYBRBBERCK-OXQOHEQNSA-N 1 3 371.529 2.485 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000515755892 562021085 /nfs/dbraw/zinc/02/10/85/562021085.db2.gz UTEFGYBRBBERCK-OXQOHEQNSA-N 1 3 371.529 2.485 20 0 FEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000369028335 556481369 /nfs/dbraw/zinc/48/13/69/556481369.db2.gz WOFOIPUFASNJMX-WOJBJXKFSA-N 1 3 374.529 2.191 20 0 FEADHO Cc1nc(CN2C[C@@H](F)C[C@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)oc1C ZINC000369128527 556511958 /nfs/dbraw/zinc/51/19/58/556511958.db2.gz VKCJJBYZBSVRCI-FJIDUMEYSA-N 1 3 350.482 2.420 20 0 FEADHO Cc1nc(CN2C[C@@H](F)C[C@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)oc1C ZINC000369128527 556511962 /nfs/dbraw/zinc/51/19/62/556511962.db2.gz VKCJJBYZBSVRCI-FJIDUMEYSA-N 1 3 350.482 2.420 20 0 FEADHO Cc1nc(CN2C[C@@H](F)C[C@H]2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)oc1C ZINC000369128529 556512010 /nfs/dbraw/zinc/51/20/10/556512010.db2.gz VKCJJBYZBSVRCI-MLHJIOFPSA-N 1 3 350.482 2.420 20 0 FEADHO Cc1nc(CN2C[C@@H](F)C[C@H]2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)oc1C ZINC000369128529 556512012 /nfs/dbraw/zinc/51/20/12/556512012.db2.gz VKCJJBYZBSVRCI-MLHJIOFPSA-N 1 3 350.482 2.420 20 0 FEADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369219380 556539455 /nfs/dbraw/zinc/53/94/55/556539455.db2.gz DMLFSTMWVMELPB-QUCCMNQESA-N 1 3 373.545 2.325 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369219380 556539456 /nfs/dbraw/zinc/53/94/56/556539456.db2.gz DMLFSTMWVMELPB-QUCCMNQESA-N 1 3 373.545 2.325 20 0 FEADHO CC(=O)Nc1cccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000516014795 562028035 /nfs/dbraw/zinc/02/80/35/562028035.db2.gz OIMIMLDAAIVRFE-KRWDZBQOSA-N 1 3 374.529 2.092 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000516017930 562028160 /nfs/dbraw/zinc/02/81/60/562028160.db2.gz PHHDNWDXNZSSKN-UHFFFAOYSA-N 1 3 374.529 2.267 20 0 FEADHO CN(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000369432501 556599224 /nfs/dbraw/zinc/59/92/24/556599224.db2.gz MCKJXGSZTRWWIB-OALUTQOASA-N 1 3 374.529 2.014 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000369481865 556608870 /nfs/dbraw/zinc/60/88/70/556608870.db2.gz LJSKFSITRKOYIS-QGZVFWFLSA-N 1 3 366.550 2.003 20 0 FEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369660183 556661603 /nfs/dbraw/zinc/66/16/03/556661603.db2.gz GPJRXPVVBFULRH-HCXYKTFWSA-N 1 3 351.535 2.255 20 0 FEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369660183 556661604 /nfs/dbraw/zinc/66/16/04/556661604.db2.gz GPJRXPVVBFULRH-HCXYKTFWSA-N 1 3 351.535 2.255 20 0 FEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000370135750 556790315 /nfs/dbraw/zinc/79/03/15/556790315.db2.gz JLGRJZHZOMSJOZ-HSALFYBXSA-N 1 3 373.545 2.466 20 0 FEADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000516633886 562051961 /nfs/dbraw/zinc/05/19/61/562051961.db2.gz FFLLCWNQEHYDGF-OWCLPIDISA-N 1 3 350.532 2.387 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)[C@@H](N)c1ccccc1 ZINC000370772605 556963474 /nfs/dbraw/zinc/96/34/74/556963474.db2.gz LKYKFMKMPBIESE-OMZCVMJRSA-N 1 3 359.514 2.328 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)[C@@H](N)c1ccccc1 ZINC000370772605 556963476 /nfs/dbraw/zinc/96/34/76/556963476.db2.gz LKYKFMKMPBIESE-OMZCVMJRSA-N 1 3 359.514 2.328 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cn(C)nc2-c2ccncc2)C1 ZINC000371313536 557142291 /nfs/dbraw/zinc/14/22/91/557142291.db2.gz IGAGTKRDRDXAEM-IBGZPJMESA-N 1 3 357.502 2.415 20 0 FEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000517636263 562094212 /nfs/dbraw/zinc/09/42/12/562094212.db2.gz SKNOOAWSJRGZDM-FQEVSTJZSA-N 1 3 372.557 2.435 20 0 FEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000517636263 562094213 /nfs/dbraw/zinc/09/42/13/562094213.db2.gz SKNOOAWSJRGZDM-FQEVSTJZSA-N 1 3 372.557 2.435 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000371606016 557237600 /nfs/dbraw/zinc/23/76/00/557237600.db2.gz SFBZBCAUGRVQRL-WOJBJXKFSA-N 1 3 373.545 2.325 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000371606016 557237602 /nfs/dbraw/zinc/23/76/02/557237602.db2.gz SFBZBCAUGRVQRL-WOJBJXKFSA-N 1 3 373.545 2.325 20 0 FEADHO C[C@H](N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000517942387 562101121 /nfs/dbraw/zinc/10/11/21/562101121.db2.gz ILCHQVZSPHWTOC-RYLXDESZSA-N 1 3 372.557 2.132 20 0 FEADHO C[C@H](C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000371948505 557336125 /nfs/dbraw/zinc/33/61/25/557336125.db2.gz PWFJKGWVYGXDHK-GUDVDZBRSA-N 1 3 364.578 2.124 20 0 FEADHO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000518963733 562122034 /nfs/dbraw/zinc/12/20/34/562122034.db2.gz MMHKMJWDTACVAU-LJQANCHMSA-N 1 3 363.502 2.095 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000372465461 557477959 /nfs/dbraw/zinc/47/79/59/557477959.db2.gz VSTGSCAJEFWXLQ-NHAYFPRASA-N 1 3 351.535 2.290 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000372465461 557477960 /nfs/dbraw/zinc/47/79/60/557477960.db2.gz VSTGSCAJEFWXLQ-NHAYFPRASA-N 1 3 351.535 2.290 20 0 FEADHO Cc1nc(-c2cccnc2)nc(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000372700730 557541800 /nfs/dbraw/zinc/54/18/00/557541800.db2.gz JYHBHBLDVRPTRX-SFHVURJKSA-N 1 3 366.513 2.736 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CC2)C[C@H](C)O1 ZINC000519776216 562143565 /nfs/dbraw/zinc/14/35/65/562143565.db2.gz ZVVIGQQPWZFXBZ-NBMJBFSESA-N 1 3 351.535 2.242 20 0 FEADHO C[C@@H](CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000373264313 557661207 /nfs/dbraw/zinc/66/12/07/557661207.db2.gz OYEXNIWQEUTKOC-ROUUACIJSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@H]1CN(CC2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)C[C@H](C)O1 ZINC000373321430 557671837 /nfs/dbraw/zinc/67/18/37/557671837.db2.gz SGNIGIQYGNXLTQ-IRXDYDNUSA-N 1 3 363.546 2.209 20 0 FEADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCc1ccc(OC(F)F)cc1 ZINC000520408473 562155820 /nfs/dbraw/zinc/15/58/20/562155820.db2.gz TVGCGIOYBOHGRF-HZPDHXFCSA-N 1 3 367.440 2.226 20 0 FEADHO CCN1CCN(CCC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000374205100 557843087 /nfs/dbraw/zinc/84/30/87/557843087.db2.gz NCYGRCJCUCJMLE-UHFFFAOYSA-N 1 3 364.578 2.177 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000521703113 562182583 /nfs/dbraw/zinc/18/25/83/562182583.db2.gz OIINALOPEKAZJC-QGZVFWFLSA-N 1 3 368.566 2.295 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000521703113 562182584 /nfs/dbraw/zinc/18/25/84/562182584.db2.gz OIINALOPEKAZJC-QGZVFWFLSA-N 1 3 368.566 2.295 20 0 FEADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C2(N)Cc3ccccc3C2)cc1 ZINC000376719957 558213138 /nfs/dbraw/zinc/21/31/38/558213138.db2.gz HKKPMSYXZBCUSG-UHFFFAOYSA-N 1 3 366.465 2.012 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376743496 558215784 /nfs/dbraw/zinc/21/57/84/558215784.db2.gz WRBAFJQQKRZSLR-YGFFAISXSA-N 1 3 358.530 2.331 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376743496 558215786 /nfs/dbraw/zinc/21/57/86/558215786.db2.gz WRBAFJQQKRZSLR-YGFFAISXSA-N 1 3 358.530 2.331 20 0 FEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000522207042 562194209 /nfs/dbraw/zinc/19/42/09/562194209.db2.gz NACDNSLQGSBWQG-NRFANRHFSA-N 1 3 372.557 2.315 20 0 FEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000522207042 562194210 /nfs/dbraw/zinc/19/42/10/562194210.db2.gz NACDNSLQGSBWQG-NRFANRHFSA-N 1 3 372.557 2.315 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc4ccc(=O)[nH]c43)CC2)CC1 ZINC000377353360 558322795 /nfs/dbraw/zinc/32/27/95/558322795.db2.gz XLHFFJLREHGARO-UHFFFAOYSA-N 1 3 368.481 2.229 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000522289151 562196212 /nfs/dbraw/zinc/19/62/12/562196212.db2.gz RNMNEFXKHOTOBC-LJQANCHMSA-N 1 3 356.514 2.495 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000377568951 558367214 /nfs/dbraw/zinc/36/72/14/558367214.db2.gz UFCCDHRENIMOEB-NRFANRHFSA-N 1 3 356.514 2.044 20 0 FEADHO COc1cccc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)N2CCCC2)c1 ZINC000522306298 562196722 /nfs/dbraw/zinc/19/67/22/562196722.db2.gz HAGGRUONHQLFCH-FXAWDEMLSA-N 1 3 372.513 2.368 20 0 FEADHO COc1cccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)N2CCCC2)c1 ZINC000522306298 562196723 /nfs/dbraw/zinc/19/67/23/562196723.db2.gz HAGGRUONHQLFCH-FXAWDEMLSA-N 1 3 372.513 2.368 20 0 FEADHO COCCOc1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000377667151 558390971 /nfs/dbraw/zinc/39/09/71/558390971.db2.gz AUHLSJUIOWJBGK-SFHVURJKSA-N 1 3 361.530 2.312 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000377915207 558447343 /nfs/dbraw/zinc/44/73/43/558447343.db2.gz QIZARVHRRWPJTE-MOPGFXCFSA-N 1 3 359.518 2.077 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000377915207 558447344 /nfs/dbraw/zinc/44/73/44/558447344.db2.gz QIZARVHRRWPJTE-MOPGFXCFSA-N 1 3 359.518 2.077 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000377915212 558447516 /nfs/dbraw/zinc/44/75/16/558447516.db2.gz QIZARVHRRWPJTE-RBUKOAKNSA-N 1 3 359.518 2.077 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000377915212 558447517 /nfs/dbraw/zinc/44/75/17/558447517.db2.gz QIZARVHRRWPJTE-RBUKOAKNSA-N 1 3 359.518 2.077 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378233513 558507800 /nfs/dbraw/zinc/50/78/00/558507800.db2.gz UXGIFCDZGUVZAH-FPOVZHCZSA-N 1 3 370.541 2.189 20 0 FEADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000523789713 562219931 /nfs/dbraw/zinc/21/99/31/562219931.db2.gz ALCZFDWNIYUPNQ-QGZVFWFLSA-N 1 3 368.591 2.331 20 0 FEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000523789713 562219932 /nfs/dbraw/zinc/21/99/32/562219932.db2.gz ALCZFDWNIYUPNQ-QGZVFWFLSA-N 1 3 368.591 2.331 20 0 FEADHO [NH3+]C[C@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390876929 558612650 /nfs/dbraw/zinc/61/26/50/558612650.db2.gz IBIQFMVDVUGBMU-RTWAWAEBSA-N 1 3 367.493 2.136 20 0 FEADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000391027040 558613364 /nfs/dbraw/zinc/61/33/64/558613364.db2.gz SXSPOGBZGRDBFL-NCYKPQTJSA-N 1 3 371.525 2.314 20 0 FEADHO C[C@@H]1CCC[C@@](CNC(=O)N2CCC(OCCN(C)C)CC2)([NH+](C)C)C1 ZINC000524518482 562229768 /nfs/dbraw/zinc/22/97/68/562229768.db2.gz DRNWXMCOAVHOBU-YLJYHZDGSA-N 1 3 368.566 2.249 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000411474774 558901026 /nfs/dbraw/zinc/90/10/26/558901026.db2.gz LZPYIEFSYKONIU-YLJYHZDGSA-N 1 3 359.514 2.344 20 0 FEADHO Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)ccc1C[NH+](C)C ZINC000411527032 558911011 /nfs/dbraw/zinc/91/10/11/558911011.db2.gz DGYXMGHIFQNHHT-APWZRJJASA-N 1 3 372.513 2.080 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000411695939 558946184 /nfs/dbraw/zinc/94/61/84/558946184.db2.gz PQPRXNIEXVVPPW-TZIWHRDSSA-N 1 3 358.530 2.010 20 0 FEADHO CCO[C@H]1C[C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000411717557 558949974 /nfs/dbraw/zinc/94/99/74/558949974.db2.gz HPMGUTCLLXIKOM-ROUUACIJSA-N 1 3 351.535 2.303 20 0 FEADHO COC1([C@H](C)NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCC1 ZINC000412018774 559002679 /nfs/dbraw/zinc/00/26/79/559002679.db2.gz CGEPTJKMFBIGBC-KRWDZBQOSA-N 1 3 359.514 2.446 20 0 FEADHO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cccc(CN2CCCCC2)c1 ZINC000412373718 559031885 /nfs/dbraw/zinc/03/18/85/559031885.db2.gz NABCKSNTADQLKE-HXUWFJFHSA-N 1 3 359.514 2.249 20 0 FEADHO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cccc(CN2CCCCC2)c1 ZINC000412373718 559031886 /nfs/dbraw/zinc/03/18/86/559031886.db2.gz NABCKSNTADQLKE-HXUWFJFHSA-N 1 3 359.514 2.249 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C1(OC)CCC1 ZINC000413824620 559133024 /nfs/dbraw/zinc/13/30/24/559133024.db2.gz WSRIFDQXBGTLHE-IRXDYDNUSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C1(OC)CCC1 ZINC000413824620 559133025 /nfs/dbraw/zinc/13/30/25/559133025.db2.gz WSRIFDQXBGTLHE-IRXDYDNUSA-N 1 3 354.539 2.002 20 0 FEADHO C[N@@H+]1CCC[C@H](CCN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000414184732 559152033 /nfs/dbraw/zinc/15/20/33/559152033.db2.gz OFGOICFQKDOGGM-RDTXWAMCSA-N 1 3 351.516 2.033 20 0 FEADHO C[N@H+]1CCC[C@H](CCN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000414184732 559152034 /nfs/dbraw/zinc/15/20/34/559152034.db2.gz OFGOICFQKDOGGM-RDTXWAMCSA-N 1 3 351.516 2.033 20 0 FEADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000414191444 559152550 /nfs/dbraw/zinc/15/25/50/559152550.db2.gz SMMAZFZGMDGJSB-CVEARBPZSA-N 1 3 353.532 2.319 20 0 FEADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000414191444 559152551 /nfs/dbraw/zinc/15/25/51/559152551.db2.gz SMMAZFZGMDGJSB-CVEARBPZSA-N 1 3 353.532 2.319 20 0 FEADHO CCCCO[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1(C)C ZINC000414197645 559152782 /nfs/dbraw/zinc/15/27/82/559152782.db2.gz PRQFZYGOGUWIRL-OALUTQOASA-N 1 3 367.578 2.356 20 0 FEADHO CN1CCC(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)(N2CCOCC2)CC1 ZINC000414204731 559152923 /nfs/dbraw/zinc/15/29/23/559152923.db2.gz WQKDSQZKASMJFJ-QZTJIDSGSA-N 1 3 367.578 2.355 20 0 FEADHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C(C)(C)n1cncn1 ZINC000414313598 559155954 /nfs/dbraw/zinc/15/59/54/559155954.db2.gz YSJFSHNSURNFPS-KRWDZBQOSA-N 1 3 357.502 2.018 20 0 FEADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@]1(C)CCCO1 ZINC000414347638 559157772 /nfs/dbraw/zinc/15/77/72/559157772.db2.gz WTLCVFRIVAAQPK-IIBYNOLFSA-N 1 3 359.514 2.431 20 0 FEADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@]1(C)CCCO1 ZINC000414347630 559157832 /nfs/dbraw/zinc/15/78/32/559157832.db2.gz WTLCVFRIVAAQPK-HRAATJIYSA-N 1 3 359.514 2.431 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)CC1 ZINC000414498291 559168933 /nfs/dbraw/zinc/16/89/33/559168933.db2.gz MSHQGNAXOXTSHX-LJQANCHMSA-N 1 3 358.530 2.129 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)CC1 ZINC000414498291 559168934 /nfs/dbraw/zinc/16/89/34/559168934.db2.gz MSHQGNAXOXTSHX-LJQANCHMSA-N 1 3 358.530 2.129 20 0 FEADHO C[N@H+](CCCOc1ccc(Cl)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414700224 559180761 /nfs/dbraw/zinc/18/07/61/559180761.db2.gz JGGRASWHIFJJTM-HNNXBMFYSA-N 1 3 353.894 2.238 20 0 FEADHO C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414700224 559180762 /nfs/dbraw/zinc/18/07/62/559180762.db2.gz JGGRASWHIFJJTM-HNNXBMFYSA-N 1 3 353.894 2.238 20 0 FEADHO CC[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414706484 559181113 /nfs/dbraw/zinc/18/11/13/559181113.db2.gz MTUHWBSIFDEQDN-LEWJYISDSA-N 1 3 372.557 2.028 20 0 FEADHO CC[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414706484 559181114 /nfs/dbraw/zinc/18/11/14/559181114.db2.gz MTUHWBSIFDEQDN-LEWJYISDSA-N 1 3 372.557 2.028 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1 ZINC000414708263 559181407 /nfs/dbraw/zinc/18/14/07/559181407.db2.gz QBCQHSUEXWDRQE-JKSUJKDBSA-N 1 3 360.502 2.114 20 0 FEADHO C[N@H+](CCCOc1cccc(Cl)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414714292 559181676 /nfs/dbraw/zinc/18/16/76/559181676.db2.gz WSJCYNKNSBAWEB-OAHLLOKOSA-N 1 3 353.894 2.238 20 0 FEADHO C[N@@H+](CCCOc1cccc(Cl)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414714292 559181678 /nfs/dbraw/zinc/18/16/78/559181678.db2.gz WSJCYNKNSBAWEB-OAHLLOKOSA-N 1 3 353.894 2.238 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)cc1 ZINC000527062616 562275117 /nfs/dbraw/zinc/27/51/17/562275117.db2.gz KMSMYDDCYXGMIG-MRXNPFEDSA-N 1 3 360.502 2.067 20 0 FEADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414741084 559183830 /nfs/dbraw/zinc/18/38/30/559183830.db2.gz HBEBPOXJZQJIEN-ZACQAIPSSA-N 1 3 362.493 2.158 20 0 FEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414793124 559187926 /nfs/dbraw/zinc/18/79/26/559187926.db2.gz DECMOVJENDGMBK-UHFFFAOYSA-N 1 3 368.481 2.194 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414948131 559196722 /nfs/dbraw/zinc/19/67/22/559196722.db2.gz XRKKBBITAWQIBW-HBUWYVDXSA-N 1 3 358.486 2.340 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414948131 559196723 /nfs/dbraw/zinc/19/67/23/559196723.db2.gz XRKKBBITAWQIBW-HBUWYVDXSA-N 1 3 358.486 2.340 20 0 FEADHO COCC1(CNCc2cn(-c3ccc(F)cc3Cl)nn2)CC[NH2+]CC1 ZINC000414978374 559198458 /nfs/dbraw/zinc/19/84/58/559198458.db2.gz SOMSVBSCQKVKAV-UHFFFAOYSA-N 1 3 367.856 2.166 20 0 FEADHO O=C1CC[C@@H](NCc2ccc(OC(F)(F)F)cc2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414982998 559198708 /nfs/dbraw/zinc/19/87/08/559198708.db2.gz DNQMMIXPQOSROA-WBVHZDCISA-N 1 3 371.403 2.322 20 0 FEADHO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415069548 559203812 /nfs/dbraw/zinc/20/38/12/559203812.db2.gz OYEGXTIQOMMCNQ-QGZVFWFLSA-N 1 3 362.543 2.351 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)c1 ZINC000415388913 559230314 /nfs/dbraw/zinc/23/03/14/559230314.db2.gz SFRRECOIMXGAPQ-HNNXBMFYSA-N 1 3 360.502 2.053 20 0 FEADHO CC(C)(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)N1CCc2ccccc2C1 ZINC000415997422 559288288 /nfs/dbraw/zinc/28/82/88/559288288.db2.gz RMJSVJHOQKPRAY-HNNXBMFYSA-N 1 3 372.435 2.402 20 0 FEADHO O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416001010 559288421 /nfs/dbraw/zinc/28/84/21/559288421.db2.gz YHXLLXDHNJKWAS-WOJBJXKFSA-N 1 3 366.465 2.047 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000416827111 559333933 /nfs/dbraw/zinc/33/39/33/559333933.db2.gz QTSZZAYMVSEBCD-WDYCEAGBSA-N 1 3 360.502 2.259 20 0 FEADHO CN(C)[C@@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)Cc1ccccc1 ZINC000416828404 559334172 /nfs/dbraw/zinc/33/41/72/559334172.db2.gz DTKHIXGEQBWDMP-QHAWAJNXSA-N 1 3 366.509 2.214 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+])c1ccccc1 ZINC000416848871 559335091 /nfs/dbraw/zinc/33/50/91/559335091.db2.gz XGGSTSVZPKHHQH-GUDVDZBRSA-N 1 3 362.518 2.217 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000416976230 559341555 /nfs/dbraw/zinc/34/15/55/559341555.db2.gz QDUAVWDDHTYYFK-GOSISDBHSA-N 1 3 362.518 2.204 20 0 FEADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000416979422 559341644 /nfs/dbraw/zinc/34/16/44/559341644.db2.gz SJKNDCHRDQRXOF-IEBWSBKVSA-N 1 3 358.530 2.462 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCc2ccccc2C1 ZINC000417019853 559344130 /nfs/dbraw/zinc/34/41/30/559344130.db2.gz RISVTOSMIIIVNB-ZCNNSNEGSA-N 1 3 356.514 2.217 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)N(C)C3CC([NH3+])C3)CC2)c1 ZINC000417045894 559345627 /nfs/dbraw/zinc/34/56/27/559345627.db2.gz APQCDBCOVHLYIR-UHFFFAOYSA-N 1 3 373.545 2.028 20 0 FEADHO CC(C)(CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000417089077 559347348 /nfs/dbraw/zinc/34/73/48/559347348.db2.gz MYRPVQUCFFZWLA-RTBURBONSA-N 1 3 356.514 2.074 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NCCCCN2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000417159959 559350554 /nfs/dbraw/zinc/35/05/54/559350554.db2.gz XRRZGOMTWOTTMH-RTBURBONSA-N 1 3 373.545 2.029 20 0 FEADHO COCC1(CNC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC[NH2+]CC1 ZINC000417216334 559353517 /nfs/dbraw/zinc/35/35/17/559353517.db2.gz BAXDTZKXPDOCEH-PKOBYXMFSA-N 1 3 374.529 2.137 20 0 FEADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417306583 559356804 /nfs/dbraw/zinc/35/68/04/559356804.db2.gz GJNPPUQQCXIJMK-OKZBNKHCSA-N 1 3 351.560 2.220 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417362772 559359291 /nfs/dbraw/zinc/35/92/91/559359291.db2.gz JXDGUGCIFYWLGG-APWZRJJASA-N 1 3 362.543 2.355 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417373478 559359805 /nfs/dbraw/zinc/35/98/05/559359805.db2.gz YDMUZMPIKLQYEK-UHFFFAOYSA-N 1 3 370.497 2.298 20 0 FEADHO C[C@@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)[C@H](C)CN1 ZINC000417622906 559369416 /nfs/dbraw/zinc/36/94/16/559369416.db2.gz HXXFQDRASWIECV-HZPDHXFCSA-N 1 3 354.564 2.130 20 0 FEADHO CCCN(C(=O)NCC1(N(C)C)Cc2ccccc2C1)C1CC[NH2+]CC1 ZINC000417735667 559374724 /nfs/dbraw/zinc/37/47/24/559374724.db2.gz LPGVOSHBFFUYSP-UHFFFAOYSA-N 1 3 358.530 2.259 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N(CCC[NH3+])CC2CCCC2)CC1 ZINC000417798371 559376761 /nfs/dbraw/zinc/37/67/61/559376761.db2.gz AKMRKNMNONHHKD-UHFFFAOYSA-N 1 3 368.566 2.426 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)CCN1Cc1ccccc1 ZINC000417833506 559378308 /nfs/dbraw/zinc/37/83/08/559378308.db2.gz JLFMRDCHIXHRNL-KBMXLJTQSA-N 1 3 354.445 2.321 20 0 FEADHO [NH3+]C1(CNC(=O)NCc2ccccc2CN2CCC(O)CC2)CCCCC1 ZINC000417851722 559379218 /nfs/dbraw/zinc/37/92/18/559379218.db2.gz NPVIYOZITDKGND-UHFFFAOYSA-N 1 3 374.529 2.104 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CN1Cc1ccccc1 ZINC000417866684 559380055 /nfs/dbraw/zinc/38/00/55/559380055.db2.gz DWZAKDXNACTIJR-YFVAEKQCSA-N 1 3 356.514 2.435 20 0 FEADHO CN1CC[C@H](NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)[C@H]1c1ccccc1 ZINC000417932319 559382342 /nfs/dbraw/zinc/38/23/42/559382342.db2.gz CRYYNLGIKRGYLK-LWYYNNOASA-N 1 3 356.514 2.463 20 0 FEADHO C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000418165892 559392534 /nfs/dbraw/zinc/39/25/34/559392534.db2.gz JFCRUNDBRDVFFQ-QGZVFWFLSA-N 1 3 360.502 2.053 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)N(C)C)cc1 ZINC000418208541 559394086 /nfs/dbraw/zinc/39/40/86/559394086.db2.gz QQHRAHVVRIYKOU-IPELMVKDSA-N 1 3 362.518 2.455 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000418240536 559395189 /nfs/dbraw/zinc/39/51/89/559395189.db2.gz ZQZDITKJQVKGBE-RYRKJORJSA-N 1 3 362.543 2.262 20 0 FEADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@@H](N)c2ccccc2)cc1 ZINC000418405213 559400435 /nfs/dbraw/zinc/40/04/35/559400435.db2.gz BAGXJQNJFFYAPA-XUVXKRRUSA-N 1 3 368.481 2.140 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418415228 559400737 /nfs/dbraw/zinc/40/07/37/559400737.db2.gz SKWSHODYWPUNOS-YJBOKZPZSA-N 1 3 350.482 2.416 20 0 FEADHO CC(C)C[C@@H](C[NH3+])NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000418422633 559400887 /nfs/dbraw/zinc/40/08/87/559400887.db2.gz BATXVTULRMFOHN-SFHVURJKSA-N 1 3 361.534 2.103 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418433279 559401409 /nfs/dbraw/zinc/40/14/09/559401409.db2.gz CVUQULTWRCQPKC-MOPGFXCFSA-N 1 3 361.534 2.451 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H](C[NH3+])CC(C)C)c1 ZINC000418446331 559401878 /nfs/dbraw/zinc/40/18/78/559401878.db2.gz PIDZOCNZYYGCLI-KRWDZBQOSA-N 1 3 350.507 2.142 20 0 FEADHO C[C@H](C[NH3+])CNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418475109 559403086 /nfs/dbraw/zinc/40/30/86/559403086.db2.gz QPTNIFNFZKGBOW-CYBMUJFWSA-N 1 3 360.424 2.373 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC[NH2+]1 ZINC000418611178 559407823 /nfs/dbraw/zinc/40/78/23/559407823.db2.gz UUYPUAQGTASLPY-LMNJBCLMSA-N 1 3 356.514 2.435 20 0 FEADHO CN(C(=O)N[C@H](C[NH3+])C1CCCC1)C1CCN(CCc2ccccn2)CC1 ZINC000418612949 559407858 /nfs/dbraw/zinc/40/78/58/559407858.db2.gz FGRJOFLDFCZUFN-HXUWFJFHSA-N 1 3 373.545 2.247 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)C[C@@H](C)O1 ZINC000418612110 559407870 /nfs/dbraw/zinc/40/78/70/559407870.db2.gz FBDJPEXFPZYSRF-MDZRGWNJSA-N 1 3 366.550 2.035 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)o1 ZINC000418666589 559410499 /nfs/dbraw/zinc/41/04/99/559410499.db2.gz LEXWDZMSAXSQKK-QAQDUYKDSA-N 1 3 350.507 2.426 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418708169 559411880 /nfs/dbraw/zinc/41/18/80/559411880.db2.gz CCMVKYMRBADRAT-AEFFLSMTSA-N 1 3 350.482 2.416 20 0 FEADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000418779734 559415664 /nfs/dbraw/zinc/41/56/64/559415664.db2.gz BMZLIOHIFZLGCY-UXHICEINSA-N 1 3 358.530 2.464 20 0 FEADHO CN(C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418783102 559415816 /nfs/dbraw/zinc/41/58/16/559415816.db2.gz FDCAPLLEVVORJV-IYWMVGAKSA-N 1 3 356.514 2.290 20 0 FEADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000418802835 559416635 /nfs/dbraw/zinc/41/66/35/559416635.db2.gz VWZKPNBFGGHNBS-BRWVUGGUSA-N 1 3 360.502 2.274 20 0 FEADHO COc1cc(OC)cc(N2CC[C@@H](N(C)CC[C@@H]3CCC[NH2+]C3)C2=O)c1 ZINC000420307127 559479586 /nfs/dbraw/zinc/47/95/86/559479586.db2.gz REBHUJVBYIJIMJ-HNAYVOBHSA-N 1 3 361.486 2.131 20 0 FEADHO CSc1ccccc1NC(=O)CCN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420320809 559480034 /nfs/dbraw/zinc/48/00/34/559480034.db2.gz BYKXLCWRLSWPBT-HNNXBMFYSA-N 1 3 363.527 2.424 20 0 FEADHO CSc1ccccc1NC(=O)CC[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000420320809 559480035 /nfs/dbraw/zinc/48/00/35/559480035.db2.gz BYKXLCWRLSWPBT-HNNXBMFYSA-N 1 3 363.527 2.424 20 0 FEADHO CSc1ccccc1NC(=O)CC[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000420320809 559480036 /nfs/dbraw/zinc/48/00/36/559480036.db2.gz BYKXLCWRLSWPBT-HNNXBMFYSA-N 1 3 363.527 2.424 20 0 FEADHO CN(CCCOc1ccccc1)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321947 559480385 /nfs/dbraw/zinc/48/03/85/559480385.db2.gz DHUYAEYDAMTYLD-OALUTQOASA-N 1 3 359.514 2.235 20 0 FEADHO C[C@@H](OCCCNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420329689 559480954 /nfs/dbraw/zinc/48/09/54/559480954.db2.gz HDJMAUSRLCBSOO-RLLQIKCJSA-N 1 3 359.514 2.202 20 0 FEADHO CN(C[C@H]1CCCN1C)c1nc(N(C)C[C@@H]2CCC[N@@H+]2C)ncc1Cl ZINC000420635974 559494595 /nfs/dbraw/zinc/49/45/95/559494595.db2.gz MYPFGIKNETXNJV-CABCVRRESA-N 1 3 366.941 2.191 20 0 FEADHO CN(C[C@H]1CCCN1C)c1nc(N(C)C[C@@H]2CCC[N@H+]2C)ncc1Cl ZINC000420635974 559494596 /nfs/dbraw/zinc/49/45/96/559494596.db2.gz MYPFGIKNETXNJV-CABCVRRESA-N 1 3 366.941 2.191 20 0 FEADHO CN(C[C@@H]1CCCN1C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000420795141 559504854 /nfs/dbraw/zinc/50/48/54/559504854.db2.gz KTLLJMKGUMQCFK-FQEVSTJZSA-N 1 3 358.530 2.429 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N(CC(C)C)C3CC3)CC2)CC1 ZINC000420986049 559517399 /nfs/dbraw/zinc/51/73/99/559517399.db2.gz XKEICCOFEUURSW-UHFFFAOYSA-N 1 3 364.578 2.125 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)N(CC(C)C)C3CC3)CC2)CC1 ZINC000420986049 559517400 /nfs/dbraw/zinc/51/74/00/559517400.db2.gz XKEICCOFEUURSW-UHFFFAOYSA-N 1 3 364.578 2.125 20 0 FEADHO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000422904741 559610594 /nfs/dbraw/zinc/61/05/94/559610594.db2.gz QNEDNJFEXIVRCP-ROUUACIJSA-N 1 3 353.532 2.465 20 0 FEADHO CCOC(=O)C1([C@@H](C)Nc2cccc(OCCN(C)C)c2)CC[NH2+]CC1 ZINC000422914672 559611113 /nfs/dbraw/zinc/61/11/13/559611113.db2.gz VKBIQCYCGALAOT-MRXNPFEDSA-N 1 3 363.502 2.360 20 0 FEADHO CCOC(=O)C1([C@H](C)N[C@H](COC)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000422920103 559611349 /nfs/dbraw/zinc/61/13/49/559611349.db2.gz LTJRRQSOENWZSY-WMLDXEAASA-N 1 3 352.450 2.424 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2ccc(OCC3CC3)nc2)CC[NH2+]CC1 ZINC000422974271 559613567 /nfs/dbraw/zinc/61/35/67/559613567.db2.gz QTAKOGMFNNDSCS-OAHLLOKOSA-N 1 3 361.486 2.281 20 0 FEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000423045621 559616318 /nfs/dbraw/zinc/61/63/18/559616318.db2.gz CJYHRYKCDIDFSC-CVEARBPZSA-N 1 3 355.479 2.115 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423078808 559617721 /nfs/dbraw/zinc/61/77/21/559617721.db2.gz WUTZCVNBLYWOBD-QOOKETHRSA-N 1 3 350.478 2.241 20 0 FEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423078808 559617722 /nfs/dbraw/zinc/61/77/22/559617722.db2.gz WUTZCVNBLYWOBD-QOOKETHRSA-N 1 3 350.478 2.241 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H](C)CCN2)cc1 ZINC000423300155 559624737 /nfs/dbraw/zinc/62/47/37/559624737.db2.gz QZCPSXNRHPKPBN-QAPCUYQASA-N 1 3 360.502 2.085 20 0 FEADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(-n2cccn2)cc1 ZINC000423378307 559627095 /nfs/dbraw/zinc/62/70/95/559627095.db2.gz FRETYATXUAMPAT-RHSMWYFYSA-N 1 3 367.419 2.359 20 0 FEADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000423428749 559628850 /nfs/dbraw/zinc/62/88/50/559628850.db2.gz RPCNCJOHUKLWIP-DNVCBOLYSA-N 1 3 363.477 2.173 20 0 FEADHO CN(C)CCN(CCCc1ccccc1)C(=O)c1csc(CC[NH3+])n1 ZINC000423752209 559638295 /nfs/dbraw/zinc/63/82/95/559638295.db2.gz VPBWLSRJOMUMNF-UHFFFAOYSA-N 1 3 360.527 2.281 20 0 FEADHO N[C@H](CC(F)F)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423909704 559645107 /nfs/dbraw/zinc/64/51/07/559645107.db2.gz UIINMYONHMOUOC-ZACQAIPSSA-N 1 3 351.441 2.482 20 0 FEADHO N[C@H](CC(F)F)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423909704 559645108 /nfs/dbraw/zinc/64/51/08/559645108.db2.gz UIINMYONHMOUOC-ZACQAIPSSA-N 1 3 351.441 2.482 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)Nc2ccc(OC[C@@H](O)CN(C)C)cc2)c1 ZINC000424442985 559665156 /nfs/dbraw/zinc/66/51/56/559665156.db2.gz YYTHZSDJQYRRTL-SFHVURJKSA-N 1 3 372.469 2.399 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)c1 ZINC000424453656 559665651 /nfs/dbraw/zinc/66/56/51/559665651.db2.gz KRBYUZHOJGAOMF-CQSZACIVSA-N 1 3 360.502 2.019 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](C)CN(C)Cc2ccccc2)c1 ZINC000424459765 559666071 /nfs/dbraw/zinc/66/60/71/559666071.db2.gz XLTGOPWFXCKNAZ-MRXNPFEDSA-N 1 3 368.481 2.029 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@@]3(F)c3ccccc3)CC2)CC1 ZINC000425445044 559702717 /nfs/dbraw/zinc/70/27/17/559702717.db2.gz NBOLKXGDFPUWDS-TZIWHRDSSA-N 1 3 374.504 2.482 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CCN1Cc1ccccc1 ZINC000425771568 559718782 /nfs/dbraw/zinc/71/87/82/559718782.db2.gz UADOAUFZVOYXOT-GSEOLPGOSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CCN1Cc1ccccc1 ZINC000425771568 559718783 /nfs/dbraw/zinc/71/87/83/559718783.db2.gz UADOAUFZVOYXOT-GSEOLPGOSA-N 1 3 356.514 2.385 20 0 FEADHO [NH3+]CCCn1ccc2cc(C(=O)NCCCNCc3cccnc3)ccc21 ZINC000428136267 559770298 /nfs/dbraw/zinc/77/02/98/559770298.db2.gz BJDWWVCMPQQTQQ-UHFFFAOYSA-N 1 3 365.481 2.295 20 0 FEADHO C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c(OC)c1 ZINC000429036557 559789549 /nfs/dbraw/zinc/78/95/49/559789549.db2.gz QMFHIWPBDAYEQV-WUHOCANCSA-N 1 3 360.498 2.496 20 0 FEADHO C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c(OC)c1 ZINC000429036557 559789550 /nfs/dbraw/zinc/78/95/50/559789550.db2.gz QMFHIWPBDAYEQV-WUHOCANCSA-N 1 3 360.498 2.496 20 0 FEADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430576789 559823436 /nfs/dbraw/zinc/82/34/36/559823436.db2.gz XTAOLKBEUUAPCA-IBGZPJMESA-N 1 3 364.509 2.170 20 0 FEADHO CC(C)[C@H]([NH3+])CCN(C)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000430602269 559824438 /nfs/dbraw/zinc/82/44/38/559824438.db2.gz VZRASHFCRIHALB-WIYYLYMNSA-N 1 3 374.573 2.461 20 0 FEADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000430636904 559825372 /nfs/dbraw/zinc/82/53/72/559825372.db2.gz ZULCZRXGPFBSOA-AWEZNQCLSA-N 1 3 362.861 2.282 20 0 FEADHO COCC[C@@]1(C(=O)NC2CCN(Cc3ccccc3C)CC2)CC[NH2+]C1 ZINC000430771594 559827842 /nfs/dbraw/zinc/82/78/42/559827842.db2.gz ZTYVGBNTLXCAIW-NRFANRHFSA-N 1 3 359.514 2.092 20 0 FEADHO COCC[C@@]1(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC[NH2+]C1 ZINC000431057418 559833221 /nfs/dbraw/zinc/83/32/21/559833221.db2.gz NZGPADHJDZZWGA-LPHOPBHVSA-N 1 3 365.543 2.093 20 0 FEADHO C[NH+](C)[C@H](CC(=O)N1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC000431794872 559846071 /nfs/dbraw/zinc/84/60/71/559846071.db2.gz NPHIQWBBXYJOMW-HXUWFJFHSA-N 1 3 359.514 2.250 20 0 FEADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000431806033 559846318 /nfs/dbraw/zinc/84/63/18/559846318.db2.gz YRZWVGSRKCHJEY-VQTJNVASSA-N 1 3 359.514 2.134 20 0 FEADHO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000431806033 559846319 /nfs/dbraw/zinc/84/63/19/559846319.db2.gz YRZWVGSRKCHJEY-VQTJNVASSA-N 1 3 359.514 2.134 20 0 FEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433125039 559872677 /nfs/dbraw/zinc/87/26/77/559872677.db2.gz HVYZJVCORSDSHL-PXNSSMCTSA-N 1 3 358.530 2.141 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NCC2([NH+](C)C)CCCCCC2)CCCO1 ZINC000433272839 559875536 /nfs/dbraw/zinc/87/55/36/559875536.db2.gz JIAHHBZOFUPMCE-SFHVURJKSA-N 1 3 368.566 2.441 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCCO1 ZINC000433291777 559876090 /nfs/dbraw/zinc/87/60/90/559876090.db2.gz XCNHSHKOSYUGAF-HNNXBMFYSA-N 1 3 354.539 2.096 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000433343350 559877760 /nfs/dbraw/zinc/87/77/60/559877760.db2.gz ZBSOPTMEFHEWAJ-KRWDZBQOSA-N 1 3 354.539 2.051 20 0 FEADHO COc1ccc(-c2ccncc2)cc1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000435373600 559921616 /nfs/dbraw/zinc/92/16/16/559921616.db2.gz VHRIXYDWMSOYAI-GOSISDBHSA-N 1 3 368.481 2.044 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cnc3ccccc3c2)C1)[C@@H]1CCC[NH2+]1 ZINC000435379861 559921837 /nfs/dbraw/zinc/92/18/37/559921837.db2.gz OJOLSCDLNVBUOM-JXFKEZNVSA-N 1 3 352.482 2.315 20 0 FEADHO COCCCN(C)CCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437722517 559968620 /nfs/dbraw/zinc/96/86/20/559968620.db2.gz RNQDJIDFEZRMCU-SFHVURJKSA-N 1 3 354.539 2.051 20 0 FEADHO COCCCN(C)CCNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437722517 559968621 /nfs/dbraw/zinc/96/86/21/559968621.db2.gz RNQDJIDFEZRMCU-SFHVURJKSA-N 1 3 354.539 2.051 20 0 FEADHO CN1CCN(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1(C)C ZINC000442960137 560063783 /nfs/dbraw/zinc/06/37/83/560063783.db2.gz BRGLFJAARQCSMO-UHFFFAOYSA-N 1 3 372.557 2.428 20 0 FEADHO CCOc1ccc([C@H](C)NC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000443062403 560068694 /nfs/dbraw/zinc/06/86/94/560068694.db2.gz XCVBADMSTFNAFF-JKSUJKDBSA-N 1 3 363.502 2.332 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)cc1 ZINC000444189599 560104868 /nfs/dbraw/zinc/10/48/68/560104868.db2.gz VUKMDTLDXGTRBS-TZIWHRDSSA-N 1 3 357.498 2.023 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)c1 ZINC000444273295 560107702 /nfs/dbraw/zinc/10/77/02/560107702.db2.gz MSTPKRQAECHTPX-UNMCSNQZSA-N 1 3 370.541 2.013 20 0 FEADHO CCc1noc(CC)c1CC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000446132044 560140369 /nfs/dbraw/zinc/14/03/69/560140369.db2.gz TUVCKEVAXRDLNH-MRXNPFEDSA-N 1 3 364.534 2.216 20 0 FEADHO CCc1noc(CC)c1CC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000446132044 560140370 /nfs/dbraw/zinc/14/03/70/560140370.db2.gz TUVCKEVAXRDLNH-MRXNPFEDSA-N 1 3 364.534 2.216 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000446260301 560142858 /nfs/dbraw/zinc/14/28/58/560142858.db2.gz LWSSWXJFUNVCJA-KNKQGSTJSA-N 1 3 371.525 2.431 20 0 FEADHO C[NH+](C)C1(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CCCCCC1 ZINC000446290983 560143669 /nfs/dbraw/zinc/14/36/69/560143669.db2.gz FJRKVBQAKPTPQW-RZQQEMMASA-N 1 3 351.535 2.290 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448033260 560176369 /nfs/dbraw/zinc/17/63/69/560176369.db2.gz YVDBEHYUEKRGFY-MSOLQXFVSA-N 1 3 368.566 2.249 20 0 FEADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448320932 560184163 /nfs/dbraw/zinc/18/41/63/560184163.db2.gz KVOCBEUFFOKXBI-GOSISDBHSA-N 1 3 374.529 2.232 20 0 FEADHO CO[C@@H]1CCN(CCOCC[N@@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451571332 560315496 /nfs/dbraw/zinc/31/54/96/560315496.db2.gz VXFUNEWHINNGKI-HDICACEKSA-N 1 3 356.551 2.497 20 0 FEADHO CO[C@@H]1CCN(CCOCC[N@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451571332 560315497 /nfs/dbraw/zinc/31/54/97/560315497.db2.gz VXFUNEWHINNGKI-HDICACEKSA-N 1 3 356.551 2.497 20 0 FEADHO CO[C@@H]1CC[N@@H+](CCOCCN2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451571332 560315498 /nfs/dbraw/zinc/31/54/98/560315498.db2.gz VXFUNEWHINNGKI-HDICACEKSA-N 1 3 356.551 2.497 20 0 FEADHO CO[C@@H]1CC[N@H+](CCOCCN2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451571332 560315499 /nfs/dbraw/zinc/31/54/99/560315499.db2.gz VXFUNEWHINNGKI-HDICACEKSA-N 1 3 356.551 2.497 20 0 FEADHO CCCCN(C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453648491 560393317 /nfs/dbraw/zinc/39/33/17/560393317.db2.gz TWROYWXSWUCBMW-GOSISDBHSA-N 1 3 360.502 2.022 20 0 FEADHO CC[C@H](C)N[C@@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)c1ccco1 ZINC000455652208 560490592 /nfs/dbraw/zinc/49/05/92/560490592.db2.gz YNALBMYSYMMFHS-GJZGRUSLSA-N 1 3 362.478 2.289 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccnn1CCN(C)C ZINC000455656196 560490756 /nfs/dbraw/zinc/49/07/56/560490756.db2.gz KDCNAHCIISATLA-DLBZAZTESA-N 1 3 364.538 2.467 20 0 FEADHO C[NH+](C)CCn1nccc1NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000455666630 560491137 /nfs/dbraw/zinc/49/11/37/560491137.db2.gz IELQYCFDRRJHBC-UHFFFAOYSA-N 1 3 350.511 2.030 20 0 FEADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H](O)CN3CCCCC3)ccc21 ZINC000455896883 560499611 /nfs/dbraw/zinc/49/96/11/560499611.db2.gz DILJJIMDGTUZTN-MJGOQNOKSA-N 1 3 360.502 2.204 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)N2CCCC2)cc1 ZINC000457433444 560566657 /nfs/dbraw/zinc/56/66/57/560566657.db2.gz KNYFBOGBAACHAX-DFQSSKMNSA-N 1 3 372.513 2.178 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)N2CCCC2)cc1 ZINC000457433444 560566658 /nfs/dbraw/zinc/56/66/58/560566658.db2.gz KNYFBOGBAACHAX-DFQSSKMNSA-N 1 3 372.513 2.178 20 0 FEADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)C1 ZINC000457477265 560569109 /nfs/dbraw/zinc/56/91/09/560569109.db2.gz BJNOXBAVAOJRRM-FPOVZHCZSA-N 1 3 356.514 2.388 20 0 FEADHO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)C1 ZINC000457477265 560569111 /nfs/dbraw/zinc/56/91/11/560569111.db2.gz BJNOXBAVAOJRRM-FPOVZHCZSA-N 1 3 356.514 2.388 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000458562010 560632795 /nfs/dbraw/zinc/63/27/95/560632795.db2.gz CTCNQQTUEUGFMO-ZWKOTPCHSA-N 1 3 350.551 2.480 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000458562010 560632796 /nfs/dbraw/zinc/63/27/96/560632796.db2.gz CTCNQQTUEUGFMO-ZWKOTPCHSA-N 1 3 350.551 2.480 20 0 FEADHO CCO[C@@H]1C[C@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]1SC ZINC000459441502 560686446 /nfs/dbraw/zinc/68/64/46/560686446.db2.gz WEQUSBBIZLWRNF-WJFTUGDTSA-N 1 3 350.528 2.122 20 0 FEADHO CCO[C@@H]1C[C@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H]1SC ZINC000459441502 560686447 /nfs/dbraw/zinc/68/64/47/560686447.db2.gz WEQUSBBIZLWRNF-WJFTUGDTSA-N 1 3 350.528 2.122 20 0 FEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000461040989 560760080 /nfs/dbraw/zinc/76/00/80/560760080.db2.gz HCWJCRQLCJOACG-LJQANCHMSA-N 1 3 360.546 2.434 20 0 FEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000461040989 560760082 /nfs/dbraw/zinc/76/00/82/560760082.db2.gz HCWJCRQLCJOACG-LJQANCHMSA-N 1 3 360.546 2.434 20 0 FEADHO C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000461089434 560761186 /nfs/dbraw/zinc/76/11/86/560761186.db2.gz QQLQNVPVGRTGOV-JXFKEZNVSA-N 1 3 350.503 2.455 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1COc2ccccc21 ZINC000461752351 560781715 /nfs/dbraw/zinc/78/17/15/560781715.db2.gz UAGNYNQEUGFPPL-ROUUACIJSA-N 1 3 374.529 2.220 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1COc2ccccc21 ZINC000461752351 560781717 /nfs/dbraw/zinc/78/17/17/560781717.db2.gz UAGNYNQEUGFPPL-ROUUACIJSA-N 1 3 374.529 2.220 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000462018448 560792850 /nfs/dbraw/zinc/79/28/50/560792850.db2.gz WXDXSIQTWLGNQD-OAQYLSRUSA-N 1 3 370.541 2.286 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000462185154 560800556 /nfs/dbraw/zinc/80/05/56/560800556.db2.gz YIVIFCHOTVGWIU-GTAWCEEGSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000462185154 560800557 /nfs/dbraw/zinc/80/05/57/560800557.db2.gz YIVIFCHOTVGWIU-GTAWCEEGSA-N 1 3 356.514 2.433 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000464848158 560853444 /nfs/dbraw/zinc/85/34/44/560853444.db2.gz WHDPIDOZXFAIFZ-IBGZPJMESA-N 1 3 372.557 2.183 20 0 FEADHO CN(C)C1(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000465620661 560870087 /nfs/dbraw/zinc/87/00/87/560870087.db2.gz CVTPIRQRPXARBQ-RTBURBONSA-N 1 3 356.514 2.012 20 0 FEADHO CN(C)C1(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000465620661 560870088 /nfs/dbraw/zinc/87/00/88/560870088.db2.gz CVTPIRQRPXARBQ-RTBURBONSA-N 1 3 356.514 2.012 20 0 FEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000465897322 560875486 /nfs/dbraw/zinc/87/54/86/560875486.db2.gz CWVDFNPSLWSPTF-KSZLIROESA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000465897322 560875487 /nfs/dbraw/zinc/87/54/87/560875487.db2.gz CWVDFNPSLWSPTF-KSZLIROESA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000465897319 560875507 /nfs/dbraw/zinc/87/55/07/560875507.db2.gz CWVDFNPSLWSPTF-FGTMMUONSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000465897319 560875508 /nfs/dbraw/zinc/87/55/08/560875508.db2.gz CWVDFNPSLWSPTF-FGTMMUONSA-N 1 3 354.539 2.002 20 0 FEADHO CN1CCC[C@H](CNC(=O)NCCNc2cc[nH+]cc2)[C@H]1c1cccs1 ZINC000466076567 560879838 /nfs/dbraw/zinc/87/98/38/560879838.db2.gz JUEJYJMWAKXZGI-QAPCUYQASA-N 1 3 373.526 2.359 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CC(C)(C)OC ZINC000466093379 560880098 /nfs/dbraw/zinc/88/00/98/560880098.db2.gz NEISGHWQEYPHGM-DLBZAZTESA-N 1 3 356.555 2.248 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CC(C)(C)OC ZINC000466093379 560880099 /nfs/dbraw/zinc/88/00/99/560880099.db2.gz NEISGHWQEYPHGM-DLBZAZTESA-N 1 3 356.555 2.248 20 0 FEADHO CC(C)C[C@H]([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)C(=O)NCCN(C)C ZINC000467360005 560908991 /nfs/dbraw/zinc/90/89/91/560908991.db2.gz REXPLRKFRSCJLR-OKYOBFRVSA-N 1 3 353.551 2.264 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[N@@H+](C)CC[C@@H]3C)CC2)c1 ZINC000469505277 560956605 /nfs/dbraw/zinc/95/66/05/560956605.db2.gz QTWIRFPAKHARMA-IBGZPJMESA-N 1 3 358.530 2.060 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[N@H+](C)CC[C@@H]3C)CC2)c1 ZINC000469505277 560956606 /nfs/dbraw/zinc/95/66/06/560956606.db2.gz QTWIRFPAKHARMA-IBGZPJMESA-N 1 3 358.530 2.060 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)C[C@@H]21 ZINC000469872339 560967513 /nfs/dbraw/zinc/96/75/13/560967513.db2.gz BKROQTGWNFCPBZ-HYVNUMGLSA-N 1 3 354.454 2.407 20 0 FEADHO Cc1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(C)c1OC(F)F ZINC000470002441 560971725 /nfs/dbraw/zinc/97/17/25/560971725.db2.gz FWMGORMQCQKZTL-OAHLLOKOSA-N 1 3 355.429 2.192 20 0 FEADHO CCCOc1c(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cccc1OCC ZINC000470021852 560972219 /nfs/dbraw/zinc/97/22/19/560972219.db2.gz CEZKGXYWIOBSNF-KRWDZBQOSA-N 1 3 363.502 2.161 20 0 FEADHO COCCN1CC[C@@H](NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470890537 560992947 /nfs/dbraw/zinc/99/29/47/560992947.db2.gz CMARESFBBNEPKM-UXHICEINSA-N 1 3 374.529 2.013 20 0 FEADHO COCCN1CC[C@@H](NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470890537 560992948 /nfs/dbraw/zinc/99/29/48/560992948.db2.gz CMARESFBBNEPKM-UXHICEINSA-N 1 3 374.529 2.013 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000472981544 561039340 /nfs/dbraw/zinc/03/93/40/561039340.db2.gz WXGSBJMCFIYJGP-MSOLQXFVSA-N 1 3 354.539 2.003 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000473046200 561041154 /nfs/dbraw/zinc/04/11/54/561041154.db2.gz ZHPRQWRJWWSTLN-OALUTQOASA-N 1 3 368.566 2.249 20 0 FEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000473297055 561046812 /nfs/dbraw/zinc/04/68/12/561046812.db2.gz DQNYQAJBXVDZLE-HXUWFJFHSA-N 1 3 360.546 2.217 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(=O)OC)[C@H](C)C2)CC1 ZINC000475362848 561095699 /nfs/dbraw/zinc/09/56/99/561095699.db2.gz PCHTXSAIFVKZOI-IEBWSBKVSA-N 1 3 359.514 2.460 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(=O)OC)[C@H](C)C2)CC1 ZINC000475362848 561095700 /nfs/dbraw/zinc/09/57/00/561095700.db2.gz PCHTXSAIFVKZOI-IEBWSBKVSA-N 1 3 359.514 2.460 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000475930762 561108079 /nfs/dbraw/zinc/10/80/79/561108079.db2.gz QRWAWXWALXFHNG-WBVHZDCISA-N 1 3 374.529 2.489 20 0 FEADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529308876 562368570 /nfs/dbraw/zinc/36/85/70/562368570.db2.gz WRQMLRHMSNNGAY-IBGZPJMESA-N 1 3 372.513 2.245 20 0 FEADHO O=C(NC[C@H]1CCN1C1CCCCC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000529718003 562382552 /nfs/dbraw/zinc/38/25/52/562382552.db2.gz HJLDFEUHQZNQBY-IFMALSPDSA-N 1 3 371.525 2.147 20 0 FEADHO O=C(NC[C@H]1CCN1C1CCCCC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000529718003 562382553 /nfs/dbraw/zinc/38/25/53/562382553.db2.gz HJLDFEUHQZNQBY-IFMALSPDSA-N 1 3 371.525 2.147 20 0 FEADHO O=C(N1CCC[N@@H+](C2CCCC2)CC1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000530583476 562416788 /nfs/dbraw/zinc/41/67/88/562416788.db2.gz HCIKZXHUXVCFCY-JOCHJYFZSA-N 1 3 371.525 2.100 20 0 FEADHO O=C(N1CCC[N@H+](C2CCCC2)CC1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000530583476 562416789 /nfs/dbraw/zinc/41/67/89/562416789.db2.gz HCIKZXHUXVCFCY-JOCHJYFZSA-N 1 3 371.525 2.100 20 0 FEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000535263414 562554414 /nfs/dbraw/zinc/55/44/14/562554414.db2.gz ZSXYETHDXAIJAU-QGZVFWFLSA-N 1 3 367.497 2.440 20 0 FEADHO C[NH+]1CCC([C@H]2CCN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)C2)CC1 ZINC000535897516 562570550 /nfs/dbraw/zinc/57/05/50/562570550.db2.gz ATFNARJDBABAGF-SFTDATJTSA-N 1 3 370.541 2.484 20 0 FEADHO C[C@H](Cn1cc(Br)cn1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000536848009 562581295 /nfs/dbraw/zinc/58/12/95/562581295.db2.gz WQLCNUKOTUOEDI-UHOFOFEASA-N 1 3 371.323 2.002 20 0 FEADHO Cc1cc(NC(=O)CCN(C)c2cc[nH+]cc2)n(C2CCN(C)CC2)n1 ZINC000540926025 562597172 /nfs/dbraw/zinc/59/71/72/562597172.db2.gz YGKPUKJFLUBMBF-UHFFFAOYSA-N 1 3 356.474 2.318 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000669111232 567911136 /nfs/dbraw/zinc/91/11/36/567911136.db2.gz KPYJQBCTTAMTDW-XLIONFOSSA-N 1 3 356.514 2.353 20 0 FEADHO C[C@@H]([NH2+]C1(CNC(=O)N[C@@H]2CCCN(C)C2)CCOCC1)c1ccccc1 ZINC000603593635 568121627 /nfs/dbraw/zinc/12/16/27/568121627.db2.gz SXGQSLVIMIXRLB-IEBWSBKVSA-N 1 3 374.529 2.280 20 0 FEADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000604197328 568224742 /nfs/dbraw/zinc/22/47/42/568224742.db2.gz FIJQOKZFPANTDD-IRXDYDNUSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000563134925 568266911 /nfs/dbraw/zinc/26/69/11/568266911.db2.gz AOCIOVMJKFDYLU-CABCVRRESA-N 1 3 355.910 2.266 20 0 FEADHO CSC1(CNC(=O)NC[C@H]2NCCc3ccccc32)CC[NH+](C)CC1 ZINC000557200073 568445293 /nfs/dbraw/zinc/44/52/93/568445293.db2.gz SKQULPJUJQQJPP-QGZVFWFLSA-N 1 3 362.543 2.000 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000825577232 608516381 /nfs/dbraw/zinc/51/63/81/608516381.db2.gz UIABRSWEXYVQQM-FUHWJXTLSA-N 1 3 358.490 2.191 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000825577232 608516382 /nfs/dbraw/zinc/51/63/82/608516382.db2.gz UIABRSWEXYVQQM-FUHWJXTLSA-N 1 3 358.490 2.191 20 0 FEADHO COCCC[NH+]1CCC(NC[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000562988927 674831528 /nfs/dbraw/zinc/83/15/28/674831528.db2.gz DGGMCPPUOPZRRJ-KRWDZBQOSA-N 1 3 356.894 2.170 20 0 FEADHO CC[C@@H]1CO[C@@H](C)CN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000563388613 674881428 /nfs/dbraw/zinc/88/14/28/674881428.db2.gz ZDAWVUATIWJDPR-FUHWJXTLSA-N 1 3 351.535 2.209 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CO)c3ccsc3)CC2)CC1 ZINC000563391236 674881837 /nfs/dbraw/zinc/88/18/37/674881837.db2.gz MIERQOQNYJHCSP-SFHVURJKSA-N 1 3 365.543 2.094 20 0 FEADHO O[C@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)COc1ccc(Cl)cc1 ZINC000563881468 674949705 /nfs/dbraw/zinc/94/97/05/674949705.db2.gz JGNNMKSWKLVTTE-CRAIPNDOSA-N 1 3 368.905 2.170 20 0 FEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574199497 671213880 /nfs/dbraw/zinc/21/38/80/671213880.db2.gz FPRVPGGPDDUTNC-NBMJBFSESA-N 1 3 351.535 2.112 20 0 FEADHO CO[C@H]1CCCC[C@H]1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000574696029 671269284 /nfs/dbraw/zinc/26/92/84/671269284.db2.gz LHYJZCFBFOHHGT-MSOLQXFVSA-N 1 3 351.535 2.258 20 0 FEADHO COc1cc([C@@H](C)NCC2=CC[NH2+]CC2)ccc1S(=O)(=O)C(F)F ZINC000817967743 675188467 /nfs/dbraw/zinc/18/84/67/675188467.db2.gz LWAABWZCAUBEOL-LLVKDONJSA-N 1 3 360.426 2.262 20 0 FEADHO COc1ccccc1COC[C@@H](O)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000575377548 671311671 /nfs/dbraw/zinc/31/16/71/671311671.db2.gz VKEBRHFZZBMRCZ-SFHVURJKSA-N 1 3 350.503 2.425 20 0 FEADHO Cc1nc2ccc(CN3CCC(C(=O)NCC[NH+](C)C)CC3)cc2s1 ZINC000579719103 671755990 /nfs/dbraw/zinc/75/59/90/671755990.db2.gz DQXBZDHRPSVHAY-UHFFFAOYSA-N 1 3 360.527 2.495 20 0 FEADHO O=C(NCC1=CC[NH2+]CC1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000580049937 671779178 /nfs/dbraw/zinc/77/91/78/671779178.db2.gz ZPBWLODRRMIDID-UHFFFAOYSA-N 1 3 360.527 2.319 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000583921396 672139257 /nfs/dbraw/zinc/13/92/57/672139257.db2.gz UYZDWHDYQKLGRY-DFHBCGBQSA-N 1 3 364.515 2.081 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000156289483 672244500 /nfs/dbraw/zinc/24/45/00/672244500.db2.gz SESSHHZBJGEYLW-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000700802378 673056429 /nfs/dbraw/zinc/05/64/29/673056429.db2.gz IFXIJCCIZKXSQY-YESZJQIVSA-N 1 3 355.523 2.332 20 0 FEADHO COC(=O)c1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)n(C)c1C ZINC000462785451 673282762 /nfs/dbraw/zinc/28/27/62/673282762.db2.gz MWAWSXZJAYBYQW-HUUCEWRRSA-N 1 3 351.491 2.099 20 0 FEADHO COc1cc2c(cc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)OCO2 ZINC000545353628 673762297 /nfs/dbraw/zinc/76/22/97/673762297.db2.gz QJLFWUKGTCCBMD-HUUCEWRRSA-N 1 3 350.459 2.403 20 0 FEADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819003244 675251698 /nfs/dbraw/zinc/25/16/98/675251698.db2.gz CAFOPPRDGJAWIX-LRDDRELGSA-N 1 3 374.312 2.204 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000617503396 676288336 /nfs/dbraw/zinc/28/83/36/676288336.db2.gz HJPDHBMZDGJPSF-GJZGRUSLSA-N 1 3 355.910 2.496 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000617503396 676288337 /nfs/dbraw/zinc/28/83/37/676288337.db2.gz HJPDHBMZDGJPSF-GJZGRUSLSA-N 1 3 355.910 2.496 20 0 FEADHO CCOC(=O)CCC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000619720065 676392225 /nfs/dbraw/zinc/39/22/25/676392225.db2.gz XJKLAPXEBWEUQL-UHFFFAOYSA-N 1 3 353.551 2.458 20 0 FEADHO C[C@@H]1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C[NH2+]1 ZINC000627196895 676743330 /nfs/dbraw/zinc/74/33/30/676743330.db2.gz WJJDVSVRBKDDOR-HIFRSBDPSA-N 1 3 354.445 2.179 20 0 FEADHO C[C@H]1C[C@@H](N(C)S(=O)(=O)CCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000631996446 676969543 /nfs/dbraw/zinc/96/95/43/676969543.db2.gz CMAZWCXWLWOJLM-HKUYNNGSSA-N 1 3 367.559 2.253 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000635002883 677087259 /nfs/dbraw/zinc/08/72/59/677087259.db2.gz AVQIINRAJLNMAA-WMJNEWNKSA-N 1 3 351.288 2.429 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](CF)c1ccc(F)cc1 ZINC000637266006 677125212 /nfs/dbraw/zinc/12/52/12/677125212.db2.gz ULMHIRGSTSABLV-WMLDXEAASA-N 1 3 356.461 2.408 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](CF)c1ccc(F)cc1 ZINC000637266006 677125213 /nfs/dbraw/zinc/12/52/13/677125213.db2.gz ULMHIRGSTSABLV-WMLDXEAASA-N 1 3 356.461 2.408 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000637266010 677125254 /nfs/dbraw/zinc/12/52/54/677125254.db2.gz ULMHIRGSTSABLV-YOEHRIQHSA-N 1 3 356.461 2.408 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000637266010 677125255 /nfs/dbraw/zinc/12/52/55/677125255.db2.gz ULMHIRGSTSABLV-YOEHRIQHSA-N 1 3 356.461 2.408 20 0 FEADHO C[NH+]1CCC(CNC(=S)NCCCN2CCc3ccccc3C2)CC1 ZINC000760467006 680688630 /nfs/dbraw/zinc/68/86/30/680688630.db2.gz MTXISOMJIMFSQF-UHFFFAOYSA-N 1 3 360.571 2.241 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccnn1CC1CCC1 ZINC000640656361 677185286 /nfs/dbraw/zinc/18/52/86/677185286.db2.gz JZZXBFFNLYLHJZ-HNNXBMFYSA-N 1 3 350.511 2.077 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccnn1CC1CCC1 ZINC000640656361 677185287 /nfs/dbraw/zinc/18/52/87/677185287.db2.gz JZZXBFFNLYLHJZ-HNNXBMFYSA-N 1 3 350.511 2.077 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641051563 677193876 /nfs/dbraw/zinc/19/38/76/677193876.db2.gz JQKQAYZCNKUIAJ-OAHLLOKOSA-N 1 3 354.445 2.180 20 0 FEADHO CNC(=O)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804169 677306136 /nfs/dbraw/zinc/30/61/36/677306136.db2.gz KOQKUJFZCVOEQZ-YCPHGPKFSA-N 1 3 357.420 2.327 20 0 FEADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648137367 677311817 /nfs/dbraw/zinc/31/18/17/677311817.db2.gz WGBDMXZITVZFQO-ZSHCYNCHSA-N 1 3 355.404 2.061 20 0 FEADHO Cn1c2ccc(CN3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)cc2sc1=O ZINC000650725389 677387464 /nfs/dbraw/zinc/38/74/64/677387464.db2.gz ZOJGMACGKCTRDG-ZMSDIMECSA-N 1 3 361.511 2.461 20 0 FEADHO CCO[C@H]1CCCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000654600701 677591335 /nfs/dbraw/zinc/59/13/35/677591335.db2.gz BAQTUFPEWRIVJD-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655920752 677692620 /nfs/dbraw/zinc/69/26/20/677692620.db2.gz NQGXDGHENMUXDK-HNNXBMFYSA-N 1 3 358.408 2.182 20 0 FEADHO CNC(=O)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)Cc1ccc(C(F)(F)F)cc1 ZINC000656200243 677727632 /nfs/dbraw/zinc/72/76/32/677727632.db2.gz JODIHBWZZIRJPF-CWRNSKLLSA-N 1 3 357.420 2.470 20 0 FEADHO CCOC(=O)CC(C)(C)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000839011625 680732712 /nfs/dbraw/zinc/73/27/12/680732712.db2.gz KGDDHGBMACBHHJ-UHFFFAOYSA-N 1 3 353.551 2.315 20 0 FEADHO CC(C)N(CCN(C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659590148 678190797 /nfs/dbraw/zinc/19/07/97/678190797.db2.gz HCEOEWZDMLBUDP-QZTJIDSGSA-N 1 3 350.482 2.253 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000659618832 678192745 /nfs/dbraw/zinc/19/27/45/678192745.db2.gz BJEOLSHBVNCIJP-GOSISDBHSA-N 1 3 350.507 2.142 20 0 FEADHO Brc1cccc2c1OCC[C@@H]2NC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662281165 678600535 /nfs/dbraw/zinc/60/05/35/678600535.db2.gz JDSIESFZBNRGOY-FZMZJTMJSA-N 1 3 353.260 2.383 20 0 FEADHO CCc1cnc(CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000665759833 678981707 /nfs/dbraw/zinc/98/17/07/678981707.db2.gz QSFDZDYTFTZMEM-AWEZNQCLSA-N 1 3 355.552 2.119 20 0 FEADHO CCc1cnc(CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000665759833 678981710 /nfs/dbraw/zinc/98/17/10/678981710.db2.gz QSFDZDYTFTZMEM-AWEZNQCLSA-N 1 3 355.552 2.119 20 0 FEADHO Cc1cnc(C(C)(C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000665759832 678981886 /nfs/dbraw/zinc/98/18/86/678981886.db2.gz QRALFJVPUIGSCB-ZDUSSCGKSA-N 1 3 355.552 2.258 20 0 FEADHO Cc1cnc(C(C)(C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000665759832 678981888 /nfs/dbraw/zinc/98/18/88/678981888.db2.gz QRALFJVPUIGSCB-ZDUSSCGKSA-N 1 3 355.552 2.258 20 0 FEADHO CC(C)Oc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccn1 ZINC000666819278 679047039 /nfs/dbraw/zinc/04/70/39/679047039.db2.gz FGZVZYXYLTZBQR-HNNXBMFYSA-N 1 3 351.495 2.262 20 0 FEADHO CC(C)Oc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccn1 ZINC000666819278 679047041 /nfs/dbraw/zinc/04/70/41/679047041.db2.gz FGZVZYXYLTZBQR-HNNXBMFYSA-N 1 3 351.495 2.262 20 0 FEADHO C[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1cccnc1Cl ZINC000840833832 680845913 /nfs/dbraw/zinc/84/59/13/680845913.db2.gz OESQJLFFYCTUMM-HNNXBMFYSA-N 1 3 352.910 2.182 20 0 FEADHO C[C@@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000672884224 679398845 /nfs/dbraw/zinc/39/88/45/679398845.db2.gz QGYSCWDDURFFSX-KDOFPFPSSA-N 1 3 350.482 2.458 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CNCc3csc(C4CC4)n3)C2)CC[N@@H+]1C ZINC001026851905 680350771 /nfs/dbraw/zinc/35/07/71/680350771.db2.gz JCUAPLHFBIQTKF-CKEIUWERSA-N 1 3 362.543 2.299 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CNCc3csc(C4CC4)n3)C2)CC[N@H+]1C ZINC001026851905 680350776 /nfs/dbraw/zinc/35/07/76/680350776.db2.gz JCUAPLHFBIQTKF-CKEIUWERSA-N 1 3 362.543 2.299 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NCc3snnc3C)CC2)CC[N@@H+]1C ZINC001034649857 680436921 /nfs/dbraw/zinc/43/69/21/680436921.db2.gz YAHRXGFTPMRLKY-YHUYYLMFSA-N 1 3 365.547 2.094 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NCc3snnc3C)CC2)CC[N@H+]1C ZINC001034649857 680436923 /nfs/dbraw/zinc/43/69/23/680436923.db2.gz YAHRXGFTPMRLKY-YHUYYLMFSA-N 1 3 365.547 2.094 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc(Cl)n1 ZINC000841851092 680914754 /nfs/dbraw/zinc/91/47/54/680914754.db2.gz KGCQVUWUZGVNHG-ZBFHGGJFSA-N 1 3 350.894 2.281 20 0 FEADHO CC1CCN([C@@H](CNC(=O)CO[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000844165794 681042679 /nfs/dbraw/zinc/04/26/79/681042679.db2.gz POGZIULNWJABSI-SJORKVTESA-N 1 3 365.543 2.406 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNCc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001051624515 681068218 /nfs/dbraw/zinc/06/82/18/681068218.db2.gz QSPPSRBMVIIQRG-UMVBOHGHSA-N 1 3 371.934 2.059 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNCc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001051624515 681068219 /nfs/dbraw/zinc/06/82/19/681068219.db2.gz QSPPSRBMVIIQRG-UMVBOHGHSA-N 1 3 371.934 2.059 20 0 FEADHO C[C@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000772277490 681091324 /nfs/dbraw/zinc/09/13/24/681091324.db2.gz PKSUWWILONGOMI-IPELMVKDSA-N 1 3 351.922 2.331 20 0 FEADHO C[C@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000772277490 681091327 /nfs/dbraw/zinc/09/13/27/681091327.db2.gz PKSUWWILONGOMI-IPELMVKDSA-N 1 3 351.922 2.331 20 0 FEADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846806339 681291951 /nfs/dbraw/zinc/29/19/51/681291951.db2.gz MWYIONWGAHCIBY-QFBILLFUSA-N 1 3 355.523 2.165 20 0 FEADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846806339 681291955 /nfs/dbraw/zinc/29/19/55/681291955.db2.gz MWYIONWGAHCIBY-QFBILLFUSA-N 1 3 355.523 2.165 20 0 FEADHO C[C@@H](NC(=S)NC1CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778529695 681620249 /nfs/dbraw/zinc/62/02/49/681620249.db2.gz CSWFSVCPPKUNOM-SJLPKXTDSA-N 1 3 360.571 2.455 20 0 FEADHO C[C@@H](NC(=S)NC1CCN(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778529695 681620254 /nfs/dbraw/zinc/62/02/54/681620254.db2.gz CSWFSVCPPKUNOM-SJLPKXTDSA-N 1 3 360.571 2.455 20 0 FEADHO CC(=O)Nc1cccc(NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000849276215 681676146 /nfs/dbraw/zinc/67/61/46/681676146.db2.gz CHAMPDPWNINWMM-AWEZNQCLSA-N 1 3 365.547 2.203 20 0 FEADHO CC(=O)Nc1cccc(NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000849276215 681676148 /nfs/dbraw/zinc/67/61/48/681676148.db2.gz CHAMPDPWNINWMM-AWEZNQCLSA-N 1 3 365.547 2.203 20 0 FEADHO C[C@@H](NCCn1cnc(Br)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851926104 682186471 /nfs/dbraw/zinc/18/64/71/682186471.db2.gz JCAWLOAWQZTHRE-OLZOCXBDSA-N 1 3 356.312 2.283 20 0 FEADHO C[C@@H](NCCn1cnc(Br)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000851926104 682186474 /nfs/dbraw/zinc/18/64/74/682186474.db2.gz JCAWLOAWQZTHRE-OLZOCXBDSA-N 1 3 356.312 2.283 20 0 FEADHO C[C@@H]([NH2+]CCn1cnc(Br)n1)[C@H]1CCCN(C2CCC2)C1 ZINC000851926104 682186475 /nfs/dbraw/zinc/18/64/75/682186475.db2.gz JCAWLOAWQZTHRE-OLZOCXBDSA-N 1 3 356.312 2.283 20 0 FEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000852013966 682203220 /nfs/dbraw/zinc/20/32/20/682203220.db2.gz XMFQXCNGJMIPGD-SJORKVTESA-N 1 3 357.539 2.314 20 0 FEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000852013966 682203224 /nfs/dbraw/zinc/20/32/24/682203224.db2.gz XMFQXCNGJMIPGD-SJORKVTESA-N 1 3 357.539 2.314 20 0 FEADHO CN1CCC[C@@]2(CC[N@H+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 ZINC000852092167 682218068 /nfs/dbraw/zinc/21/80/68/682218068.db2.gz QCFIFDXCXJIMDH-QFBILLFUSA-N 1 3 353.507 2.040 20 0 FEADHO CN1CCC[C@@]2(CC[N@@H+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 ZINC000852092167 682218072 /nfs/dbraw/zinc/21/80/72/682218072.db2.gz QCFIFDXCXJIMDH-QFBILLFUSA-N 1 3 353.507 2.040 20 0 FEADHO CS(=O)(=O)c1ccccc1CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925832448 683041640 /nfs/dbraw/zinc/04/16/40/683041640.db2.gz WCESHJWHESHDDX-QZTJIDSGSA-N 1 3 350.528 2.391 20 0 FEADHO CS(=O)(=O)c1ccccc1CCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925832448 683041645 /nfs/dbraw/zinc/04/16/45/683041645.db2.gz WCESHJWHESHDDX-QZTJIDSGSA-N 1 3 350.528 2.391 20 0 FEADHO Cc1nc(CNCCCC[NH+]2CCN(C)CC2)sc1Br ZINC000921526757 683492655 /nfs/dbraw/zinc/49/26/55/683492655.db2.gz JBHOTXIJQVMZDA-UHFFFAOYSA-N 1 3 361.353 2.331 20 0 FEADHO C[C@H]1[C@@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@@H+]1C ZINC000922270957 683690778 /nfs/dbraw/zinc/69/07/78/683690778.db2.gz ZDZJYEODLGPZDP-LLGZUXRYSA-N 1 3 362.440 2.184 20 0 FEADHO C[C@H]1[C@@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@H+]1C ZINC000922270957 683690781 /nfs/dbraw/zinc/69/07/81/683690781.db2.gz ZDZJYEODLGPZDP-LLGZUXRYSA-N 1 3 362.440 2.184 20 0 FEADHO C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000925209641 684539958 /nfs/dbraw/zinc/53/99/58/684539958.db2.gz XZXOEGIOTOUHIN-INIZCTEOSA-N 1 3 371.591 2.433 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1(C)C ZINC000877301678 686350430 /nfs/dbraw/zinc/35/04/30/686350430.db2.gz ZLFJURIGYBVNHD-OXQOHEQNSA-N 1 3 351.535 2.386 20 0 FEADHO [NH3+]C[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1C(F)(F)F ZINC000877359248 686362658 /nfs/dbraw/zinc/36/26/58/686362658.db2.gz GKJFOCUBWSOULZ-JKSUJKDBSA-N 1 3 355.404 2.492 20 0 FEADHO COC[C@]1(C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CCCCN1 ZINC000877443566 686378047 /nfs/dbraw/zinc/37/80/47/686378047.db2.gz GCYDMCPEBUQZGO-HQRMLTQVSA-N 1 3 351.535 2.291 20 0 FEADHO O=C(NCCC[NH+]1CCCC1)C1CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877521899 686400604 /nfs/dbraw/zinc/40/06/04/686400604.db2.gz FEBMIRFYKCTWRY-HNNXBMFYSA-N 1 3 362.345 2.494 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H](C)C2(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000903064569 690840856 /nfs/dbraw/zinc/84/08/56/690840856.db2.gz CQCUENOSZKLUJQ-MRXNPFEDSA-N 1 3 354.539 2.049 20 0 FEADHO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000903173187 690860969 /nfs/dbraw/zinc/86/09/69/690860969.db2.gz KRWZTIGXPWFRRF-QGZVFWFLSA-N 1 3 353.532 2.040 20 0 FEADHO CN(c1cccc(C[NH2+][C@H]2CCN(C)[C@H]3CCC[C@@H]32)c1)S(C)(=O)=O ZINC000903424456 690892209 /nfs/dbraw/zinc/89/22/09/690892209.db2.gz VQGARVBQDCSWBH-SQNIBIBYSA-N 1 3 351.516 2.045 20 0 FEADHO C[C@@H](NC(C)(C)CNS(=O)(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000905340842 691104226 /nfs/dbraw/zinc/10/42/26/691104226.db2.gz RZSPYQFRUQUICM-OAHLLOKOSA-N 1 3 353.532 2.035 20 0 FEADHO Cc1c[nH+]c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1N ZINC001164976099 722137102 /nfs/dbraw/zinc/13/71/02/722137102.db2.gz HDFZUXKUOFLFKH-IEBWSBKVSA-N 1 3 353.470 2.095 20 0 FEADHO COc1ccc2c(c1)CCN2C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761102 540443236 /nfs/dbraw/zinc/44/32/36/540443236.db2.gz MBJOSCLINDFNKI-UHFFFAOYSA-N 1 3 372.513 2.326 20 0 FEADHO Cc1cc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1F ZINC000051759038 540443591 /nfs/dbraw/zinc/44/35/91/540443591.db2.gz ZTRXBQHQYDBHKN-UHFFFAOYSA-N 1 3 362.493 2.492 20 0 FEADHO C[C@H](CCc1ccco1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759480 540443662 /nfs/dbraw/zinc/44/36/62/540443662.db2.gz VVVXRIRINGCZBT-MRXNPFEDSA-N 1 3 362.518 2.459 20 0 FEADHO CCN1CCC(NC(=O)CN2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000056495539 540729999 /nfs/dbraw/zinc/72/99/99/540729999.db2.gz IWHPECGWWOKVQY-UHFFFAOYSA-N 1 3 364.578 2.175 20 0 FEADHO CCN1CCC(NC(=O)CN2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000056495539 540730005 /nfs/dbraw/zinc/73/00/05/540730005.db2.gz IWHPECGWWOKVQY-UHFFFAOYSA-N 1 3 364.578 2.175 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000057279852 540785816 /nfs/dbraw/zinc/78/58/16/540785816.db2.gz FJFXNYCIAZTOJC-YQQQUEKLSA-N 1 3 374.529 2.299 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000057279852 540785818 /nfs/dbraw/zinc/78/58/18/540785818.db2.gz FJFXNYCIAZTOJC-YQQQUEKLSA-N 1 3 374.529 2.299 20 0 FEADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000247397831 549327957 /nfs/dbraw/zinc/32/79/57/549327957.db2.gz WUCJEACUCZJVKF-MSOLQXFVSA-N 1 3 368.566 2.249 20 0 FEADHO CC(C)[N@@H+]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000073334348 541944574 /nfs/dbraw/zinc/94/45/74/541944574.db2.gz AWVWTMPMDOYSRJ-UHFFFAOYSA-N 1 3 358.530 2.141 20 0 FEADHO CC(C)[N@H+]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000073334348 541944578 /nfs/dbraw/zinc/94/45/78/541944578.db2.gz AWVWTMPMDOYSRJ-UHFFFAOYSA-N 1 3 358.530 2.141 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)NCCN2CCC(C)CC2)CC1 ZINC000073659254 541981954 /nfs/dbraw/zinc/98/19/54/541981954.db2.gz NKGKTIRUQUFLJP-UHFFFAOYSA-N 1 3 368.566 2.251 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000073854588 542008030 /nfs/dbraw/zinc/00/80/30/542008030.db2.gz VSXONXDSUFUPSZ-SFHVURJKSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000073854588 542008034 /nfs/dbraw/zinc/00/80/34/542008034.db2.gz VSXONXDSUFUPSZ-SFHVURJKSA-N 1 3 356.514 2.435 20 0 FEADHO Cn1c2ccc(C[NH2+]C3CCN([C@@H]4CCC[C@@H]4O)CC3)cc2sc1=O ZINC000551231850 674132762 /nfs/dbraw/zinc/13/27/62/674132762.db2.gz HIGFHQVKPWOPDI-WBVHZDCISA-N 1 3 361.511 2.067 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1sc(C)nc1C ZINC000074664490 542109490 /nfs/dbraw/zinc/10/94/90/542109490.db2.gz KCXKBNOMIBMWBF-INIZCTEOSA-N 1 3 367.563 2.317 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1sc(C)nc1C ZINC000074664490 542109494 /nfs/dbraw/zinc/10/94/94/542109494.db2.gz KCXKBNOMIBMWBF-INIZCTEOSA-N 1 3 367.563 2.317 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074792129 542121902 /nfs/dbraw/zinc/12/19/02/542121902.db2.gz RRXYEYSCSLSNQX-YQQQUEKLSA-N 1 3 359.518 2.170 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000074792129 542121903 /nfs/dbraw/zinc/12/19/03/542121903.db2.gz RRXYEYSCSLSNQX-YQQQUEKLSA-N 1 3 359.518 2.170 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000074915482 542136468 /nfs/dbraw/zinc/13/64/68/542136468.db2.gz VRSPVFXSKIYMLI-UHFFFAOYSA-N 1 3 369.513 2.383 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000079171266 542504944 /nfs/dbraw/zinc/50/49/44/542504944.db2.gz WYZXCRABICKQGI-RTBURBONSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000079171266 542504946 /nfs/dbraw/zinc/50/49/46/542504946.db2.gz WYZXCRABICKQGI-RTBURBONSA-N 1 3 360.502 2.053 20 0 FEADHO COCCN(C)CCCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000079490890 542522236 /nfs/dbraw/zinc/52/22/36/542522236.db2.gz RGCBMWXKJGKORZ-UHFFFAOYSA-N 1 3 368.566 2.252 20 0 FEADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000081338452 542649549 /nfs/dbraw/zinc/64/95/49/542649549.db2.gz YYGSYOUZIWJBPJ-LJQANCHMSA-N 1 3 363.546 2.498 20 0 FEADHO C[C@H]1CCCCN1CCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092853451 542891995 /nfs/dbraw/zinc/89/19/95/542891995.db2.gz HBJGNFTXNVSTQY-KRWDZBQOSA-N 1 3 359.518 2.472 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000093123840 542910038 /nfs/dbraw/zinc/91/00/38/542910038.db2.gz ZSNCLBNSZPYEFZ-RTBURBONSA-N 1 3 357.502 2.224 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000093123840 542910043 /nfs/dbraw/zinc/91/00/43/542910043.db2.gz ZSNCLBNSZPYEFZ-RTBURBONSA-N 1 3 357.502 2.224 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccccc2)nc1 ZINC000103212895 543097328 /nfs/dbraw/zinc/09/73/28/543097328.db2.gz UZSJMXXDAOKKNA-UHFFFAOYSA-N 1 3 356.470 2.439 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccccn1)[NH+]1CCC(C)CC1 ZINC000107390120 543269708 /nfs/dbraw/zinc/26/97/08/543269708.db2.gz YJGGYCOYRBMAHK-SFHVURJKSA-N 1 3 361.534 2.275 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108553071 543293882 /nfs/dbraw/zinc/29/38/82/543293882.db2.gz RWSVMSJEZANZOJ-HXUWFJFHSA-N 1 3 356.514 2.218 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108553071 543293885 /nfs/dbraw/zinc/29/38/85/543293885.db2.gz RWSVMSJEZANZOJ-HXUWFJFHSA-N 1 3 356.514 2.218 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000111807029 543416525 /nfs/dbraw/zinc/41/65/25/543416525.db2.gz IRBHMYMPTRQRBM-HXUWFJFHSA-N 1 3 374.529 2.192 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000111821385 543417930 /nfs/dbraw/zinc/41/79/30/543417930.db2.gz GDCBVGIGEJQYRE-OTWHNJEPSA-N 1 3 368.566 2.155 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000111821385 543417933 /nfs/dbraw/zinc/41/79/33/543417933.db2.gz GDCBVGIGEJQYRE-OTWHNJEPSA-N 1 3 368.566 2.155 20 0 FEADHO CCN(C)[C@@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC000114381382 543512545 /nfs/dbraw/zinc/51/25/45/543512545.db2.gz YXTCHZBJAKVMCF-HXUWFJFHSA-N 1 3 360.546 2.069 20 0 FEADHO CCN(C)[C@@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000114381382 543512549 /nfs/dbraw/zinc/51/25/49/543512549.db2.gz YXTCHZBJAKVMCF-HXUWFJFHSA-N 1 3 360.546 2.069 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@@H]2CCCN(C)C2)[C@H](C)C1 ZINC000115852014 543590777 /nfs/dbraw/zinc/59/07/77/543590777.db2.gz DEHURSFVMPGEFM-QRVBRYPASA-N 1 3 368.566 2.107 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)C[C@@H]2CCCN(C)C2)[C@H](C)C1 ZINC000115852014 543590782 /nfs/dbraw/zinc/59/07/82/543590782.db2.gz DEHURSFVMPGEFM-QRVBRYPASA-N 1 3 368.566 2.107 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)CN2CCCCC2)[C@H](C)C1 ZINC000115797742 543586777 /nfs/dbraw/zinc/58/67/77/543586777.db2.gz VZIOTHDJXOWLTN-QYZOEREBSA-N 1 3 368.566 2.297 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)CN2CCCCC2)[C@H](C)C1 ZINC000115797742 543586780 /nfs/dbraw/zinc/58/67/80/543586780.db2.gz VZIOTHDJXOWLTN-QYZOEREBSA-N 1 3 368.566 2.297 20 0 FEADHO CN(CCNC(=O)C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)Cc1ccccc1 ZINC000119338185 543666516 /nfs/dbraw/zinc/66/65/16/543666516.db2.gz RJGKEDLQUDGRBV-SFTDATJTSA-N 1 3 373.541 2.250 20 0 FEADHO COc1ccc(C)nc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122726753 543719839 /nfs/dbraw/zinc/71/98/39/543719839.db2.gz AUIQUXIVWZNISB-UHFFFAOYSA-N 1 3 361.490 2.079 20 0 FEADHO Cn1nc(C(C)(C)C)cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000124355734 543816203 /nfs/dbraw/zinc/81/62/03/543816203.db2.gz VBYXEXHWOVABLE-UHFFFAOYSA-N 1 3 361.534 2.006 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)CCn3cnc4ccccc43)CC2)CC1 ZINC000124403245 543819661 /nfs/dbraw/zinc/81/96/61/543819661.db2.gz KPPHAJRMSMAPDU-UHFFFAOYSA-N 1 3 369.513 2.101 20 0 FEADHO C[C@@H](CN1CCCCC1)NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000125304258 543873912 /nfs/dbraw/zinc/87/39/12/543873912.db2.gz WIEXZKHWPWVAHQ-KRWDZBQOSA-N 1 3 362.518 2.301 20 0 FEADHO CS[C@H]1CCCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000127086526 543972257 /nfs/dbraw/zinc/97/22/57/543972257.db2.gz NNPYUHZREVMFTR-SFHVURJKSA-N 1 3 368.591 2.472 20 0 FEADHO CC[N@@H+]1CC[C@H](NCCC(=O)N2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000128533269 544058530 /nfs/dbraw/zinc/05/85/30/544058530.db2.gz RJTPFGNXPCTSHH-QUCCMNQESA-N 1 3 358.530 2.045 20 0 FEADHO CC[N@H+]1CC[C@H](NCCC(=O)N2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000128533269 544058531 /nfs/dbraw/zinc/05/85/31/544058531.db2.gz RJTPFGNXPCTSHH-QUCCMNQESA-N 1 3 358.530 2.045 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000130131891 544139619 /nfs/dbraw/zinc/13/96/19/544139619.db2.gz UZRBRWUGUUGJCA-IOASZLSFSA-N 1 3 368.319 2.497 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000130131891 544139620 /nfs/dbraw/zinc/13/96/20/544139620.db2.gz UZRBRWUGUUGJCA-IOASZLSFSA-N 1 3 368.319 2.497 20 0 FEADHO CCOC(=O)[C@H]1CCCN(C/C=C/C[N@@H+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000132566114 544236098 /nfs/dbraw/zinc/23/60/98/544236098.db2.gz LZMGIIWKEHWYHM-ZBKUBXTQSA-N 1 3 366.502 2.093 20 0 FEADHO CCOC(=O)[C@H]1CCCN(C/C=C/C[N@H+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000132566114 544236101 /nfs/dbraw/zinc/23/61/01/544236101.db2.gz LZMGIIWKEHWYHM-ZBKUBXTQSA-N 1 3 366.502 2.093 20 0 FEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000134133828 544295418 /nfs/dbraw/zinc/29/54/18/544295418.db2.gz VQZXABUBJHRXJN-SFHVURJKSA-N 1 3 368.566 2.153 20 0 FEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000134133828 544295421 /nfs/dbraw/zinc/29/54/21/544295421.db2.gz VQZXABUBJHRXJN-SFHVURJKSA-N 1 3 368.566 2.153 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)CN1Cc1ccccc1 ZINC000136012522 544365100 /nfs/dbraw/zinc/36/51/00/544365100.db2.gz FYZUTEZNFZTCQP-SJLPKXTDSA-N 1 3 370.501 2.229 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)CN1Cc1ccccc1 ZINC000151180979 544514830 /nfs/dbraw/zinc/51/48/30/544514830.db2.gz KPTLSJCQVQHVSD-MJGOQNOKSA-N 1 3 374.529 2.059 20 0 FEADHO Cc1ccc2c(c1)[C@@H](NC(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CO2 ZINC000152015112 544605863 /nfs/dbraw/zinc/60/58/63/544605863.db2.gz ZPSVCRUTMUCIGX-IBGZPJMESA-N 1 3 372.513 2.286 20 0 FEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000154228381 544878783 /nfs/dbraw/zinc/87/87/83/544878783.db2.gz XJGDMGQOTSKBHK-YKCBXCCJSA-N 1 3 359.514 2.414 20 0 FEADHO CCCN(C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000178934647 327617117 /nfs/dbraw/zinc/61/71/17/327617117.db2.gz UAAWYDJYZRJBDH-HXUWFJFHSA-N 1 3 358.530 2.431 20 0 FEADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]3C[C@H](OC)CN3)ccc21 ZINC000187932907 328054986 /nfs/dbraw/zinc/05/49/86/328054986.db2.gz QMFJPYNBOBOOFV-ZWKOTPCHSA-N 1 3 358.486 2.299 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1(C)C ZINC000188039914 328062200 /nfs/dbraw/zinc/06/22/00/328062200.db2.gz UFXWVXWJFIFMAY-NQIIRXRSSA-N 1 3 359.514 2.431 20 0 FEADHO COC[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CCOCC1 ZINC000188112543 328066933 /nfs/dbraw/zinc/06/69/33/328066933.db2.gz DMHQRFVPFYPECA-NRFANRHFSA-N 1 3 362.514 2.175 20 0 FEADHO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191462469 328266853 /nfs/dbraw/zinc/26/68/53/328266853.db2.gz HHSBFADXPOBSOY-PMACEKPBSA-N 1 3 366.594 2.419 20 0 FEADHO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191462469 328266854 /nfs/dbraw/zinc/26/68/54/328266854.db2.gz HHSBFADXPOBSOY-PMACEKPBSA-N 1 3 366.594 2.419 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000194827480 328442537 /nfs/dbraw/zinc/44/25/37/328442537.db2.gz BNVYFXVJXFXUPN-UHFFFAOYSA-N 1 3 358.511 2.347 20 0 FEADHO C[C@@H](CC(=O)NCc1ccccc1CN1CCC(O)CC1)[C@H]1CCC[NH2+]C1 ZINC000237478114 328517483 /nfs/dbraw/zinc/51/74/83/328517483.db2.gz BAXZRIPQAKMBOE-ROUUACIJSA-N 1 3 373.541 2.285 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000081444508 325176321 /nfs/dbraw/zinc/17/63/21/325176321.db2.gz HHSZGROFKRNVJS-PZJWPPBQSA-N 1 3 372.557 2.306 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000081444508 325176326 /nfs/dbraw/zinc/17/63/26/325176326.db2.gz HHSZGROFKRNVJS-PZJWPPBQSA-N 1 3 372.557 2.306 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000085390836 325252203 /nfs/dbraw/zinc/25/22/03/325252203.db2.gz DNCMOBBALGCSAS-XLIONFOSSA-N 1 3 358.530 2.416 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000085390836 325252207 /nfs/dbraw/zinc/25/22/07/325252207.db2.gz DNCMOBBALGCSAS-XLIONFOSSA-N 1 3 358.530 2.416 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccco1)[NH+]1CCC(C)CC1 ZINC000088536970 325296764 /nfs/dbraw/zinc/29/67/64/325296764.db2.gz RETDVTDMJOYRRB-KRWDZBQOSA-N 1 3 350.507 2.473 20 0 FEADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000121091073 326312695 /nfs/dbraw/zinc/31/26/95/326312695.db2.gz MOCTZZKCXBHMBJ-MRXNPFEDSA-N 1 3 360.502 2.370 20 0 FEADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000121091073 326312697 /nfs/dbraw/zinc/31/26/97/326312697.db2.gz MOCTZZKCXBHMBJ-MRXNPFEDSA-N 1 3 360.502 2.370 20 0 FEADHO CC1CCN(CC(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000122168509 326386537 /nfs/dbraw/zinc/38/65/37/326386537.db2.gz AVWKCUQTIJXCKU-OALUTQOASA-N 1 3 365.562 2.456 20 0 FEADHO CC[N@H+](CCNC(=O)N(C)CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000161515188 327001439 /nfs/dbraw/zinc/00/14/39/327001439.db2.gz MHANEKITFJOKAQ-UHFFFAOYSA-N 1 3 359.518 2.424 20 0 FEADHO CC[N@@H+](CCNC(=O)N(C)CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000161515188 327001440 /nfs/dbraw/zinc/00/14/40/327001440.db2.gz MHANEKITFJOKAQ-UHFFFAOYSA-N 1 3 359.518 2.424 20 0 FEADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(-n2cnnn2)cc1 ZINC000162599044 327029603 /nfs/dbraw/zinc/02/96/03/327029603.db2.gz SUEBTVWTQMVSNB-MRXNPFEDSA-N 1 3 366.469 2.454 20 0 FEADHO C[C@@H](CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)[N@H+](C)C1CC1 ZINC000163062296 327041584 /nfs/dbraw/zinc/04/15/84/327041584.db2.gz QIJZCAASMXOWEA-INIZCTEOSA-N 1 3 359.514 2.103 20 0 FEADHO C[C@@H](CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)[N@@H+](C)C1CC1 ZINC000163062296 327041586 /nfs/dbraw/zinc/04/15/86/327041586.db2.gz QIJZCAASMXOWEA-INIZCTEOSA-N 1 3 359.514 2.103 20 0 FEADHO COc1ccc(Cl)cc1[C@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168950005 327087798 /nfs/dbraw/zinc/08/77/98/327087798.db2.gz LPBMVPQMYRNIGQ-INIZCTEOSA-N 1 3 369.937 2.389 20 0 FEADHO COCCN1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000171169272 327121952 /nfs/dbraw/zinc/12/19/52/327121952.db2.gz BOGVXDGTPZRHFA-IRXDYDNUSA-N 1 3 368.566 2.153 20 0 FEADHO CC[N@H+](CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000171336912 327133003 /nfs/dbraw/zinc/13/30/03/327133003.db2.gz TVFGZNLMLSTLEM-CALCHBBNSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@@H+](CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000171336912 327133005 /nfs/dbraw/zinc/13/30/05/327133005.db2.gz TVFGZNLMLSTLEM-CALCHBBNSA-N 1 3 366.550 2.002 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000171899288 327168377 /nfs/dbraw/zinc/16/83/77/327168377.db2.gz ZLYCMTUOLGFXRO-HXUWFJFHSA-N 1 3 374.529 2.192 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccc(F)c1 ZINC000173704796 327278239 /nfs/dbraw/zinc/27/82/39/327278239.db2.gz APZFIMWPVOADBZ-GOSISDBHSA-N 1 3 350.482 2.383 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccc(F)c1 ZINC000173704796 327278240 /nfs/dbraw/zinc/27/82/40/327278240.db2.gz APZFIMWPVOADBZ-GOSISDBHSA-N 1 3 350.482 2.383 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000173931172 327295503 /nfs/dbraw/zinc/29/55/03/327295503.db2.gz FPBKEWDPBATCEW-MRXNPFEDSA-N 1 3 350.511 2.221 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000173931172 327295504 /nfs/dbraw/zinc/29/55/04/327295504.db2.gz FPBKEWDPBATCEW-MRXNPFEDSA-N 1 3 350.511 2.221 20 0 FEADHO CO[C@@]1(C)C[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000174468821 327328599 /nfs/dbraw/zinc/32/85/99/327328599.db2.gz LVBCEEAQBLWDPJ-PXNSSMCTSA-N 1 3 366.550 2.048 20 0 FEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000175101099 327373915 /nfs/dbraw/zinc/37/39/15/327373915.db2.gz VGKLNNYJGYRTOW-ROUUACIJSA-N 1 3 354.539 2.003 20 0 FEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000175101099 327373917 /nfs/dbraw/zinc/37/39/17/327373917.db2.gz VGKLNNYJGYRTOW-ROUUACIJSA-N 1 3 354.539 2.003 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176035496 327429509 /nfs/dbraw/zinc/42/95/09/327429509.db2.gz PETAKTUQNFTGEA-ZWKOTPCHSA-N 1 3 362.518 2.299 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000176044774 327430031 /nfs/dbraw/zinc/43/00/31/327430031.db2.gz RKVHHRUHLDTWNV-QGZVFWFLSA-N 1 3 362.518 2.088 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1CCCCCC1 ZINC000247531257 328692570 /nfs/dbraw/zinc/69/25/70/328692570.db2.gz PBAIUIAPTGKLBT-NZSAHSFTSA-N 1 3 351.535 2.135 20 0 FEADHO COCCN(CCN(C)C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000264297816 329008141 /nfs/dbraw/zinc/00/81/41/329008141.db2.gz WJXRDGZJJBPUFH-UHFFFAOYSA-N 1 3 364.534 2.246 20 0 FEADHO COCCN(CCN(C)C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000264297816 329008143 /nfs/dbraw/zinc/00/81/43/329008143.db2.gz WJXRDGZJJBPUFH-UHFFFAOYSA-N 1 3 364.534 2.246 20 0 FEADHO COc1cccc(OC)c1OC[C@@H](O)CN1CCC(CC[NH+](C)C)CC1 ZINC000264449069 329024477 /nfs/dbraw/zinc/02/44/77/329024477.db2.gz NSMJYEWZXNQSEL-KRWDZBQOSA-N 1 3 366.502 2.107 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3cnc(-c4ccccc4)[nH]3)CC2)CC1 ZINC000265567296 329139386 /nfs/dbraw/zinc/13/93/86/329139386.db2.gz GHWSFIAAGZERRH-UHFFFAOYSA-N 1 3 367.497 2.365 20 0 FEADHO C[NH+](C)C1(CNC(=O)NC2CCN(CCc3ccccc3)CC2)CCC1 ZINC000275676408 330076912 /nfs/dbraw/zinc/07/69/12/330076912.db2.gz YHEPMCSJYDYETK-UHFFFAOYSA-N 1 3 358.530 2.477 20 0 FEADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000367030103 330209261 /nfs/dbraw/zinc/20/92/61/330209261.db2.gz OXSHYPFORANCIU-LEWJYISDSA-N 1 3 371.525 2.248 20 0 FEADHO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000367030103 330209262 /nfs/dbraw/zinc/20/92/62/330209262.db2.gz OXSHYPFORANCIU-LEWJYISDSA-N 1 3 371.525 2.248 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367262005 330237479 /nfs/dbraw/zinc/23/74/79/330237479.db2.gz HTGDCAKCVFOCHI-OXJNMPFZSA-N 1 3 371.529 2.422 20 0 FEADHO Cc1cc(NC(=O)C(=O)N[C@H](C)CN2CCCCCC2)ccc1C[NH+](C)C ZINC000411375363 330255206 /nfs/dbraw/zinc/25/52/06/330255206.db2.gz GLWWRSGQSUKXAK-QGZVFWFLSA-N 1 3 374.529 2.376 20 0 FEADHO CC(C)CO[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000155290396 545506554 /nfs/dbraw/zinc/50/65/54/545506554.db2.gz BATOJDXLJZZRNG-IBGZPJMESA-N 1 3 366.550 2.002 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000176038822 546394215 /nfs/dbraw/zinc/39/42/15/546394215.db2.gz FYTOCIVLFNYOFK-YQQQUEKLSA-N 1 3 374.529 2.442 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000176038822 546394220 /nfs/dbraw/zinc/39/42/20/546394220.db2.gz FYTOCIVLFNYOFK-YQQQUEKLSA-N 1 3 374.529 2.442 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C1 ZINC000176097321 546406615 /nfs/dbraw/zinc/40/66/15/546406615.db2.gz DYKXMNJBQAFBLT-SFHVURJKSA-N 1 3 374.529 2.185 20 0 FEADHO C[NH+](C)[C@@]1(CNC(=O)c2ccc(Nc3ccncc3)cc2)CCSC1 ZINC000480278821 561206240 /nfs/dbraw/zinc/20/62/40/561206240.db2.gz PGDBICOBQUXGKX-LJQANCHMSA-N 1 3 356.495 2.414 20 0 FEADHO Cc1nc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)sc1C ZINC000176383139 546438668 /nfs/dbraw/zinc/43/86/68/546438668.db2.gz SHYJFNIUZGELGF-UHFFFAOYSA-N 1 3 365.547 2.118 20 0 FEADHO C[C@H]1C[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000177193312 546567063 /nfs/dbraw/zinc/56/70/63/546567063.db2.gz RBFVPSVCCAJNIO-OALUTQOASA-N 1 3 370.541 2.330 20 0 FEADHO C[C@H]1C[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000177193312 546567067 /nfs/dbraw/zinc/56/70/67/546567067.db2.gz RBFVPSVCCAJNIO-OALUTQOASA-N 1 3 370.541 2.330 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)C[C@H]2CCOC2)CC1 ZINC000178360626 546780530 /nfs/dbraw/zinc/78/05/30/546780530.db2.gz QWVMSPJJSJAECF-GOSISDBHSA-N 1 3 359.514 2.044 20 0 FEADHO COC1(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CC[NH2+]CC1 ZINC000178816469 546854531 /nfs/dbraw/zinc/85/45/31/546854531.db2.gz WBDSDZMIOUFSHT-GDBMZVCRSA-N 1 3 351.516 2.016 20 0 FEADHO C[C@H](c1nc(-c2ccccc2)no1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178979114 546882886 /nfs/dbraw/zinc/88/28/86/546882886.db2.gz RSIQCVDNSHLXQR-MRXNPFEDSA-N 1 3 355.486 2.415 20 0 FEADHO CN1CCN([C@@H]2CCCCN(C(=O)Nc3cccc(C[NH+](C)C)c3)C2)CC1 ZINC000179363406 546940356 /nfs/dbraw/zinc/94/03/56/546940356.db2.gz OEDWZZGMRCYKDQ-HXUWFJFHSA-N 1 3 373.545 2.382 20 0 FEADHO CC(C)[C@@H](C(=O)N1CCC(OCCC[NH+](C)C)CC1)N1CCCCC1 ZINC000482000476 561247188 /nfs/dbraw/zinc/24/71/88/561247188.db2.gz PRGFMPRLNSYRET-IBGZPJMESA-N 1 3 353.551 2.456 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)CC2CCOCC2)CC1 ZINC000179621267 546987840 /nfs/dbraw/zinc/98/78/40/546987840.db2.gz FYKWEDYHHLPQKA-UHFFFAOYSA-N 1 3 373.541 2.434 20 0 FEADHO O=C(NCCC[NH+]1CCCCC1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000179644783 546991322 /nfs/dbraw/zinc/99/13/22/546991322.db2.gz UCZDFXXYMMZGAL-UHFFFAOYSA-N 1 3 373.541 2.497 20 0 FEADHO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(OCCN(C)C)cc1 ZINC000179986479 547036356 /nfs/dbraw/zinc/03/63/56/547036356.db2.gz MOCBBUKFLOTBDA-LPHOPBHVSA-N 1 3 364.486 2.200 20 0 FEADHO C[C@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000179986479 547036361 /nfs/dbraw/zinc/03/63/61/547036361.db2.gz MOCBBUKFLOTBDA-LPHOPBHVSA-N 1 3 364.486 2.200 20 0 FEADHO Cn1cc([C@@H](NC2CCN(CC[NH+](C)C)CC2)c2cccc(F)c2)cn1 ZINC000180077541 547047504 /nfs/dbraw/zinc/04/75/04/547047504.db2.gz VDIAEFVGRKQXMA-FQEVSTJZSA-N 1 3 359.493 2.264 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000180991124 547226425 /nfs/dbraw/zinc/22/64/25/547226425.db2.gz BAYHTUWQIBJNEY-QGZVFWFLSA-N 1 3 366.550 2.190 20 0 FEADHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCCNc1ccncc1)C1CC1 ZINC000483680566 561281751 /nfs/dbraw/zinc/28/17/51/561281751.db2.gz KMMZSIACTLHOPN-FQEVSTJZSA-N 1 3 367.497 2.125 20 0 FEADHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCCNc1ccncc1)C1CC1 ZINC000483680566 561281752 /nfs/dbraw/zinc/28/17/52/561281752.db2.gz KMMZSIACTLHOPN-FQEVSTJZSA-N 1 3 367.497 2.125 20 0 FEADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000182265760 547463710 /nfs/dbraw/zinc/46/37/10/547463710.db2.gz HFAPFRRAYOYDHR-GOSISDBHSA-N 1 3 371.447 2.370 20 0 FEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000483766212 561283608 /nfs/dbraw/zinc/28/36/08/561283608.db2.gz APECABBIVXEVLN-HDICACEKSA-N 1 3 368.566 2.392 20 0 FEADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000484306867 561295989 /nfs/dbraw/zinc/29/59/89/561295989.db2.gz DDTBHTYPSJQMPG-RLLQIKCJSA-N 1 3 358.530 2.428 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000183588451 547685201 /nfs/dbraw/zinc/68/52/01/547685201.db2.gz XGDAMXQPOFQPTG-IAGOWNOFSA-N 1 3 368.566 2.390 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000183588451 547685202 /nfs/dbraw/zinc/68/52/02/547685202.db2.gz XGDAMXQPOFQPTG-IAGOWNOFSA-N 1 3 368.566 2.390 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NCCN1C(=O)NC(C)(C)C1=O ZINC000184747906 547873545 /nfs/dbraw/zinc/87/35/45/547873545.db2.gz KKUNRDBIASIBJA-BYICEURKSA-N 1 3 372.513 2.063 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NCCN1C(=O)NC(C)(C)C1=O ZINC000184747906 547873546 /nfs/dbraw/zinc/87/35/46/547873546.db2.gz KKUNRDBIASIBJA-BYICEURKSA-N 1 3 372.513 2.063 20 0 FEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185293759 547965700 /nfs/dbraw/zinc/96/57/00/547965700.db2.gz YJXAXMYRZUYMCA-RKVPGOIHSA-N 1 3 351.516 2.045 20 0 FEADHO Cc1c([C@@H](C)N[C@H](C)CC[NH+]2CCN(C)CC2)nnn1-c1ccc(F)cc1 ZINC000186599527 548157048 /nfs/dbraw/zinc/15/70/48/548157048.db2.gz UNYGOZUBQIBYED-HZPDHXFCSA-N 1 3 374.508 2.391 20 0 FEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000486381897 561345785 /nfs/dbraw/zinc/34/57/85/561345785.db2.gz SKRZCGVUVWVISU-KDOFPFPSSA-N 1 3 373.501 2.039 20 0 FEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000486381897 561345786 /nfs/dbraw/zinc/34/57/86/561345786.db2.gz SKRZCGVUVWVISU-KDOFPFPSSA-N 1 3 373.501 2.039 20 0 FEADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000194972324 548558159 /nfs/dbraw/zinc/55/81/59/548558159.db2.gz MLLGVWXNTJBTLH-INIZCTEOSA-N 1 3 353.532 2.464 20 0 FEADHO CN(C)Cc1ccccc1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000486871330 561358703 /nfs/dbraw/zinc/35/87/03/561358703.db2.gz YHOUMJLZBZENBA-UHFFFAOYSA-N 1 3 356.470 2.014 20 0 FEADHO COCCN1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000195140045 548583509 /nfs/dbraw/zinc/58/35/09/548583509.db2.gz IDPXOUKMHGSMLN-LJQANCHMSA-N 1 3 368.566 2.297 20 0 FEADHO COCC[NH+]1CCC(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000195144027 548584020 /nfs/dbraw/zinc/58/40/20/548584020.db2.gz JJGMUWLRAUTFLS-FQEVSTJZSA-N 1 3 374.529 2.061 20 0 FEADHO CC(C)C[C@H]([NH3+])C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000236681160 548772975 /nfs/dbraw/zinc/77/29/75/548772975.db2.gz AOUZWVWNMFLIRH-FQEVSTJZSA-N 1 3 360.546 2.074 20 0 FEADHO CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000236820850 548782331 /nfs/dbraw/zinc/78/23/31/548782331.db2.gz OLYXYBIQILIVFZ-ZWKOTPCHSA-N 1 3 360.502 2.309 20 0 FEADHO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H](N)c2ccccc2)CC1 ZINC000236955404 548790828 /nfs/dbraw/zinc/79/08/28/548790828.db2.gz CQVUGPGXCFPKLL-OAQYLSRUSA-N 1 3 366.509 2.140 20 0 FEADHO C[C@@]1(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCCC[NH2+]1 ZINC000237578170 548836336 /nfs/dbraw/zinc/83/63/36/548836336.db2.gz CXQQJWWLHSRKCB-QFIPXVFZSA-N 1 3 372.557 2.233 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CC2)c1 ZINC000237616898 548840051 /nfs/dbraw/zinc/84/00/51/548840051.db2.gz YNDMFNHMPJQYES-ICSRJNTNSA-N 1 3 358.530 2.093 20 0 FEADHO [NH3+][C@H]1CC[C@@H](C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000237864851 548860317 /nfs/dbraw/zinc/86/03/17/548860317.db2.gz HRDPEHLQLMLVON-ZBFHGGJFSA-N 1 3 365.905 2.427 20 0 FEADHO C[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487832284 561376913 /nfs/dbraw/zinc/37/69/13/561376913.db2.gz DTTRGSBMVGMOFQ-WDSOQIARSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487832284 561376914 /nfs/dbraw/zinc/37/69/14/561376914.db2.gz DTTRGSBMVGMOFQ-WDSOQIARSA-N 1 3 356.514 2.433 20 0 FEADHO O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000246293098 549099015 /nfs/dbraw/zinc/09/90/15/549099015.db2.gz PBPZJHAIVSFJQC-CABCVRRESA-N 1 3 353.557 2.171 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000246947773 549249720 /nfs/dbraw/zinc/24/97/20/549249720.db2.gz ULDZUFQMVYWCIT-VQIMIIECSA-N 1 3 359.518 2.391 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000246947773 549249723 /nfs/dbraw/zinc/24/97/23/549249723.db2.gz ULDZUFQMVYWCIT-VQIMIIECSA-N 1 3 359.518 2.391 20 0 FEADHO CN1CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)[C@H]1c1ccccc1 ZINC000248068393 549405081 /nfs/dbraw/zinc/40/50/81/549405081.db2.gz PZJXBTLCVHWDTK-XUVXKRRUSA-N 1 3 374.529 2.184 20 0 FEADHO CCN1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248386731 549424765 /nfs/dbraw/zinc/42/47/65/549424765.db2.gz NQHPGEYODFPYPU-PMACEKPBSA-N 1 3 359.514 2.134 20 0 FEADHO CCN1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248386731 549424768 /nfs/dbraw/zinc/42/47/68/549424768.db2.gz NQHPGEYODFPYPU-PMACEKPBSA-N 1 3 359.514 2.134 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000248766193 549498937 /nfs/dbraw/zinc/49/89/37/549498937.db2.gz GXPPIEXALBNBQQ-OTWHNJEPSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000248766193 549498939 /nfs/dbraw/zinc/49/89/39/549498939.db2.gz GXPPIEXALBNBQQ-OTWHNJEPSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000248870545 549517532 /nfs/dbraw/zinc/51/75/32/549517532.db2.gz QNIQGOYSOSBPDD-HOJAQTOUSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000248870545 549517538 /nfs/dbraw/zinc/51/75/38/549517538.db2.gz QNIQGOYSOSBPDD-HOJAQTOUSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000248870549 549517871 /nfs/dbraw/zinc/51/78/71/549517871.db2.gz QNIQGOYSOSBPDD-YZGWKJHDSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000248870549 549517875 /nfs/dbraw/zinc/51/78/75/549517875.db2.gz QNIQGOYSOSBPDD-YZGWKJHDSA-N 1 3 358.530 2.490 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000249516264 549600107 /nfs/dbraw/zinc/60/01/07/549600107.db2.gz DXCYSPUSNAOGLJ-MOPGFXCFSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000249516264 549600111 /nfs/dbraw/zinc/60/01/11/549600111.db2.gz DXCYSPUSNAOGLJ-MOPGFXCFSA-N 1 3 356.514 2.435 20 0 FEADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261674150 549741670 /nfs/dbraw/zinc/74/16/70/549741670.db2.gz GOCHMJKRBNOAAE-JXFKEZNVSA-N 1 3 359.514 2.289 20 0 FEADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261674150 549741672 /nfs/dbraw/zinc/74/16/72/549741672.db2.gz GOCHMJKRBNOAAE-JXFKEZNVSA-N 1 3 359.514 2.289 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261926914 549770448 /nfs/dbraw/zinc/77/04/48/549770448.db2.gz VTEWSRSIIIPRLK-BEFAXECRSA-N 1 3 368.481 2.021 20 0 FEADHO O=C(NC[C@H]1CCCN(CCOc2cccc(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000262119689 549790431 /nfs/dbraw/zinc/79/04/31/549790431.db2.gz BWFOEPGCTONUTK-CRAIPNDOSA-N 1 3 365.905 2.299 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1(C)C ZINC000262789039 549849857 /nfs/dbraw/zinc/84/98/57/549849857.db2.gz NJBSIGXBGLWAAA-WOIUINJBSA-N 1 3 373.541 2.200 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1(C)C ZINC000262789039 549849859 /nfs/dbraw/zinc/84/98/59/549849859.db2.gz NJBSIGXBGLWAAA-WOIUINJBSA-N 1 3 373.541 2.200 20 0 FEADHO CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)c2C1 ZINC000264003776 549966911 /nfs/dbraw/zinc/96/69/11/549966911.db2.gz ZZAUNLKRAOPYNC-LSDHHAIUSA-N 1 3 360.502 2.052 20 0 FEADHO COc1ccc([C@@H](C)NCCCN2CCC[C@H]2C(=O)N(C)C)c(F)c1 ZINC000268852759 550123399 /nfs/dbraw/zinc/12/33/99/550123399.db2.gz PMPLCQJDLBEDNT-KDOFPFPSSA-N 1 3 351.466 2.428 20 0 FEADHO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H](N)Cc3ccccc3)cc2)CC1 ZINC000269241384 550171171 /nfs/dbraw/zinc/17/11/71/550171171.db2.gz BPQMKPKVXCVDLO-FQEVSTJZSA-N 1 3 352.482 2.337 20 0 FEADHO C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H](N)Cc3ccccc3)cc2)CC1 ZINC000269241384 550171173 /nfs/dbraw/zinc/17/11/73/550171173.db2.gz BPQMKPKVXCVDLO-FQEVSTJZSA-N 1 3 352.482 2.337 20 0 FEADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000269679125 550216507 /nfs/dbraw/zinc/21/65/07/550216507.db2.gz RXSQEFHKJKEAHL-KDOFPFPSSA-N 1 3 351.466 2.159 20 0 FEADHO c1cc(N2CCN(CCC[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)ccn1 ZINC000493818062 561458317 /nfs/dbraw/zinc/45/83/17/561458317.db2.gz LMOQBZVREBRUFT-VAMGGRTRSA-N 1 3 356.514 2.141 20 0 FEADHO C[C@@]1(NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO[C@@H]1C1CC1 ZINC000273051564 550482538 /nfs/dbraw/zinc/48/25/38/550482538.db2.gz KLRUWDVKPHVGSH-FGZHOGPDSA-N 1 3 371.525 2.446 20 0 FEADHO O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000277892618 550726358 /nfs/dbraw/zinc/72/63/58/550726358.db2.gz WZAHLXAGAXPHCT-LJQANCHMSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCN1C1CC1 ZINC000278453843 550787911 /nfs/dbraw/zinc/78/79/11/550787911.db2.gz NPHOTAFNIXXIGX-OAQYLSRUSA-N 1 3 370.541 2.332 20 0 FEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@](C)(O)CC1 ZINC000279872527 550937998 /nfs/dbraw/zinc/93/79/98/550937998.db2.gz CBDZYWJZGQNSMB-AVRDEDQJSA-N 1 3 373.541 2.393 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@](C)(O)CC1 ZINC000279872546 550938007 /nfs/dbraw/zinc/93/80/07/550938007.db2.gz CBDZYWJZGQNSMB-XMSQKQJNSA-N 1 3 373.541 2.393 20 0 FEADHO COC(=O)c1ccc2c(c1)CN(CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000283335463 551349624 /nfs/dbraw/zinc/34/96/24/551349624.db2.gz PVAGMWGMEZRENP-UHFFFAOYSA-N 1 3 359.514 2.247 20 0 FEADHO CC[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1(C(=O)OC)CCC1 ZINC000497835059 561509538 /nfs/dbraw/zinc/50/95/38/561509538.db2.gz CJLAMPXVAVGAJC-LJQANCHMSA-N 1 3 374.529 2.305 20 0 FEADHO CCCC[C@@H](N)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000498079586 561515683 /nfs/dbraw/zinc/51/56/83/561515683.db2.gz JHWIWAIVYCIPRH-QGZVFWFLSA-N 1 3 361.490 2.358 20 0 FEADHO N[C@H](CC(F)F)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000498220718 561518970 /nfs/dbraw/zinc/51/89/70/561518970.db2.gz CDYGMXQJUBDEDV-QGZVFWFLSA-N 1 3 369.456 2.156 20 0 FEADHO CCCN(CCN1CCCCC1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000288081784 552087491 /nfs/dbraw/zinc/08/74/91/552087491.db2.gz LADDGIDCIWNFDH-UHFFFAOYSA-N 1 3 374.529 2.411 20 0 FEADHO Cc1nn(-c2ccccn2)c(C)c1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000289938803 552402888 /nfs/dbraw/zinc/40/28/88/552402888.db2.gz XBXUPJWVOYEDRN-UHFFFAOYSA-N 1 3 370.545 2.342 20 0 FEADHO C[C@@H](Oc1ccccc1F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000501286421 561594162 /nfs/dbraw/zinc/59/41/62/561594162.db2.gz URDRMGXKLHZADU-OAHLLOKOSA-N 1 3 363.477 2.268 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CC2CCN(C)CC2)c1 ZINC000291557178 552637570 /nfs/dbraw/zinc/63/75/70/552637570.db2.gz XKKBPIHLZNFBQO-UHFFFAOYSA-N 1 3 374.529 2.429 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292362759 552719642 /nfs/dbraw/zinc/71/96/42/552719642.db2.gz QMPDLRNKOWFYSD-LMNJBCLMSA-N 1 3 356.514 2.244 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292362759 552719643 /nfs/dbraw/zinc/71/96/43/552719643.db2.gz QMPDLRNKOWFYSD-LMNJBCLMSA-N 1 3 356.514 2.244 20 0 FEADHO COC(=O)c1cc([C@@H](C)N(C)CCN(C)C2CC[NH+](C)CC2)oc1C ZINC000292978109 552776835 /nfs/dbraw/zinc/77/68/35/552776835.db2.gz QRMLZWFLNFVGPX-CQSZACIVSA-N 1 3 351.491 2.393 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000294496548 552910810 /nfs/dbraw/zinc/91/08/10/552910810.db2.gz IAWQBERSNZISOX-AHRSYUTCSA-N 1 3 352.494 2.456 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000294496548 552910812 /nfs/dbraw/zinc/91/08/12/552910812.db2.gz IAWQBERSNZISOX-AHRSYUTCSA-N 1 3 352.494 2.456 20 0 FEADHO CN(C)CCn1ncc(C(=O)NCCC[NH+]2CCCC2)c1-c1ccccc1 ZINC000294523651 552912806 /nfs/dbraw/zinc/91/28/06/552912806.db2.gz UBYLFXKLJRXIOA-UHFFFAOYSA-N 1 3 369.513 2.327 20 0 FEADHO CCC[NH2+][C@H](C)C(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000294696009 552927659 /nfs/dbraw/zinc/92/76/59/552927659.db2.gz AAEIULAWEYDQFC-YLJYHZDGSA-N 1 3 361.530 2.279 20 0 FEADHO OC1CCN(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000294750482 552931683 /nfs/dbraw/zinc/93/16/83/552931683.db2.gz DDFFOGYPSTVPTA-KSEOMHKRSA-N 1 3 357.542 2.333 20 0 FEADHO OC1CCN(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000294750482 552931685 /nfs/dbraw/zinc/93/16/85/552931685.db2.gz DDFFOGYPSTVPTA-KSEOMHKRSA-N 1 3 357.542 2.333 20 0 FEADHO OC1CCN(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000294750482 552931687 /nfs/dbraw/zinc/93/16/87/552931687.db2.gz DDFFOGYPSTVPTA-KSEOMHKRSA-N 1 3 357.542 2.333 20 0 FEADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)[C@H]1SC ZINC000298500822 553432890 /nfs/dbraw/zinc/43/28/90/553432890.db2.gz QJQAPSAVQRJYMW-GUDVDZBRSA-N 1 3 364.559 2.092 20 0 FEADHO CCN(CC)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507279947 561723545 /nfs/dbraw/zinc/72/35/45/561723545.db2.gz KSMBPGQRXJIBRY-FQEVSTJZSA-N 1 3 373.541 2.373 20 0 FEADHO CCN(CC)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507279947 561723546 /nfs/dbraw/zinc/72/35/46/561723546.db2.gz KSMBPGQRXJIBRY-FQEVSTJZSA-N 1 3 373.541 2.373 20 0 FEADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)N(C)C ZINC000507284179 561723817 /nfs/dbraw/zinc/72/38/17/561723817.db2.gz PHXFSNGOXFCBFA-WOJBJXKFSA-N 1 3 373.541 2.372 20 0 FEADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)N(C)C ZINC000507284179 561723818 /nfs/dbraw/zinc/72/38/18/561723818.db2.gz PHXFSNGOXFCBFA-WOJBJXKFSA-N 1 3 373.541 2.372 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)NCC3([NH3+])CCCCC3)CC2)C[C@H](C)O1 ZINC000331956569 554352579 /nfs/dbraw/zinc/35/25/79/554352579.db2.gz IYGOODFBTWPLRK-CALCHBBNSA-N 1 3 366.550 2.179 20 0 FEADHO C[NH+](C)C1(CNC(=O)CC2(N3CCOCC3)CCCC2)CCCCC1 ZINC000531042483 562432671 /nfs/dbraw/zinc/43/26/71/562432671.db2.gz AVNSVSGYWPOBFY-UHFFFAOYSA-N 1 3 351.535 2.402 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000333372298 554607177 /nfs/dbraw/zinc/60/71/77/554607177.db2.gz MOLIIXGJHGOJAV-HZPDHXFCSA-N 1 3 354.564 2.035 20 0 FEADHO CN(Cc1ccccn1)[C@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333845408 554648784 /nfs/dbraw/zinc/64/87/84/554648784.db2.gz PBPCORCOZMRSEQ-HKUYNNGSSA-N 1 3 359.518 2.220 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000333918967 554656048 /nfs/dbraw/zinc/65/60/48/554656048.db2.gz OOZBMYDQBSTMQC-DFQSSKMNSA-N 1 3 356.514 2.338 20 0 FEADHO C[N@@H+]1CCCN(c2ccc(NC(=O)C3(N)Cc4ccccc4C3)cc2)CC1 ZINC000361723011 554931230 /nfs/dbraw/zinc/93/12/30/554931230.db2.gz IIVWJOOCSARIRJ-UHFFFAOYSA-N 1 3 364.493 2.263 20 0 FEADHO C[N@H+]1CCCN(c2ccc(NC(=O)C3(N)Cc4ccccc4C3)cc2)CC1 ZINC000361723011 554931232 /nfs/dbraw/zinc/93/12/32/554931232.db2.gz IIVWJOOCSARIRJ-UHFFFAOYSA-N 1 3 364.493 2.263 20 0 FEADHO COCC[N@H+](C)CCCNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000363250274 555063574 /nfs/dbraw/zinc/06/35/74/555063574.db2.gz LPOMCVRNUSXTRS-DOTOQJQBSA-N 1 3 368.547 2.008 20 0 FEADHO COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000363250274 555063576 /nfs/dbraw/zinc/06/35/76/555063576.db2.gz LPOMCVRNUSXTRS-DOTOQJQBSA-N 1 3 368.547 2.008 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000363402079 555096154 /nfs/dbraw/zinc/09/61/54/555096154.db2.gz DRAGKLHVRBZWSJ-PMACEKPBSA-N 1 3 371.529 2.173 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)C1 ZINC000363645175 555153866 /nfs/dbraw/zinc/15/38/66/555153866.db2.gz CDAGLLOJYZMUCF-AKHDSKFASA-N 1 3 366.550 2.002 20 0 FEADHO Cc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363711607 555169943 /nfs/dbraw/zinc/16/99/43/555169943.db2.gz HNPSJHYHQAEKTB-ZGXWSNOMSA-N 1 3 362.514 2.214 20 0 FEADHO Cc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363711607 555169944 /nfs/dbraw/zinc/16/99/44/555169944.db2.gz HNPSJHYHQAEKTB-ZGXWSNOMSA-N 1 3 362.514 2.214 20 0 FEADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ccccc1Cn1cncn1 ZINC000363836693 555196078 /nfs/dbraw/zinc/19/60/78/555196078.db2.gz VKTJMNIMKJKENW-UIFIKXQLSA-N 1 3 369.513 2.305 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ccccc1Cn1cncn1 ZINC000363836693 555196080 /nfs/dbraw/zinc/19/60/80/555196080.db2.gz VKTJMNIMKJKENW-UIFIKXQLSA-N 1 3 369.513 2.305 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000365127227 555491589 /nfs/dbraw/zinc/49/15/89/555491589.db2.gz VBSMZRLFYOFEDQ-QGZVFWFLSA-N 1 3 366.550 2.146 20 0 FEADHO COC1(C[C@H](C)[NH2+]Cc2c(C)nn(C)c2N2CCCN(C)CC2)CCC1 ZINC000365246307 555521781 /nfs/dbraw/zinc/52/17/81/555521781.db2.gz OULLCASLDDCQKX-INIZCTEOSA-N 1 3 363.550 2.308 20 0 FEADHO CN(C)CCOc1cnccc1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000365613154 555622488 /nfs/dbraw/zinc/62/24/88/555622488.db2.gz AJHXCJIZXYBSBT-SFHVURJKSA-N 1 3 374.529 2.293 20 0 FEADHO CN(C)CCOc1cnccc1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000365613154 555622493 /nfs/dbraw/zinc/62/24/93/555622493.db2.gz AJHXCJIZXYBSBT-SFHVURJKSA-N 1 3 374.529 2.293 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000365912755 555699726 /nfs/dbraw/zinc/69/97/26/555699726.db2.gz SQAPGEMNPGEWCU-OALUTQOASA-N 1 3 360.502 2.201 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c1 ZINC000365912755 555699729 /nfs/dbraw/zinc/69/97/29/555699729.db2.gz SQAPGEMNPGEWCU-OALUTQOASA-N 1 3 360.502 2.201 20 0 FEADHO C[C@H](CC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)C1CC[NH2+]CC1 ZINC000366325945 555812825 /nfs/dbraw/zinc/81/28/25/555812825.db2.gz QBWAKOINLNBQIW-IEBWSBKVSA-N 1 3 358.530 2.436 20 0 FEADHO C[C@@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N1CCC[C@@H](C)C1 ZINC000366821093 555943815 /nfs/dbraw/zinc/94/38/15/555943815.db2.gz BGICORJLYTWZRV-ZIFCJYIRSA-N 1 3 350.551 2.480 20 0 FEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000367298102 556011182 /nfs/dbraw/zinc/01/11/82/556011182.db2.gz IBYSOYPHWIELCQ-IBGZPJMESA-N 1 3 372.557 2.107 20 0 FEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000367298102 556011186 /nfs/dbraw/zinc/01/11/86/556011186.db2.gz IBYSOYPHWIELCQ-IBGZPJMESA-N 1 3 372.557 2.107 20 0 FEADHO C[C@@H](c1cn(-c2ccccc2)nn1)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367673846 556110834 /nfs/dbraw/zinc/11/08/34/556110834.db2.gz SKKBOMUWZAUBOC-PXNSSMCTSA-N 1 3 368.529 2.429 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000531932519 562462055 /nfs/dbraw/zinc/46/20/55/562462055.db2.gz SHBHDWPIODIABE-TVFCKZIOSA-N 1 3 350.576 2.355 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000531932519 562462056 /nfs/dbraw/zinc/46/20/56/562462056.db2.gz SHBHDWPIODIABE-TVFCKZIOSA-N 1 3 350.576 2.355 20 0 FEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000531932519 562462057 /nfs/dbraw/zinc/46/20/57/562462057.db2.gz SHBHDWPIODIABE-TVFCKZIOSA-N 1 3 350.576 2.355 20 0 FEADHO CN1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCc3nc[nH]c3C2)CC1 ZINC000368092230 556216953 /nfs/dbraw/zinc/21/69/53/556216953.db2.gz ZVBPFXMDFHRLBC-AWEZNQCLSA-N 1 3 359.905 2.462 20 0 FEADHO CN1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCc3[nH]cnc3C2)CC1 ZINC000368092230 556216956 /nfs/dbraw/zinc/21/69/56/556216956.db2.gz ZVBPFXMDFHRLBC-AWEZNQCLSA-N 1 3 359.905 2.462 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@@H](C)C1 ZINC000368153742 556231846 /nfs/dbraw/zinc/23/18/46/556231846.db2.gz USGJYYHMVBHCHY-ZWOKBUDYSA-N 1 3 371.541 2.452 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@@H](C)C1 ZINC000368153742 556231849 /nfs/dbraw/zinc/23/18/49/556231849.db2.gz USGJYYHMVBHCHY-ZWOKBUDYSA-N 1 3 371.541 2.452 20 0 FEADHO CN1CCC(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000368191597 556243840 /nfs/dbraw/zinc/24/38/40/556243840.db2.gz SXXASZJEZZFVMC-OALUTQOASA-N 1 3 356.514 2.244 20 0 FEADHO CN1CCC(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000368191597 556243843 /nfs/dbraw/zinc/24/38/43/556243843.db2.gz SXXASZJEZZFVMC-OALUTQOASA-N 1 3 356.514 2.244 20 0 FEADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)Cc1ccc(F)cc1 ZINC000515165772 561998717 /nfs/dbraw/zinc/99/87/17/561998717.db2.gz GIINSAPWYMJZSE-JOCHJYFZSA-N 1 3 372.484 2.476 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@]3(CCN(C)C3)C2)C1 ZINC000368299763 556272324 /nfs/dbraw/zinc/27/23/24/556272324.db2.gz RXEZJSMEAHEALC-GGPKGHCWSA-N 1 3 350.551 2.482 20 0 FEADHO N=C(NO)[C@H]1CCCCN1CCCCCCN1CCCC[C@@H]1C(=[NH2+])NO ZINC000368526668 556336044 /nfs/dbraw/zinc/33/60/44/556336044.db2.gz MUQVVSGSMXQCCW-HZPDHXFCSA-N 1 3 368.526 2.168 20 0 FEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000369016940 556477044 /nfs/dbraw/zinc/47/70/44/556477044.db2.gz PZSOWIUTNHATAJ-ZHALLVOQSA-N 1 3 351.535 2.209 20 0 FEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000369028229 556481696 /nfs/dbraw/zinc/48/16/96/556481696.db2.gz PIJMMSOBWKPLAR-PMACEKPBSA-N 1 3 374.529 2.189 20 0 FEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000369028229 556481698 /nfs/dbraw/zinc/48/16/98/556481698.db2.gz PIJMMSOBWKPLAR-PMACEKPBSA-N 1 3 374.529 2.189 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCC(C[NH+](C)C)CC1 ZINC000369190717 556531063 /nfs/dbraw/zinc/53/10/63/556531063.db2.gz AWSSBGPWOBAZSS-RXVVDRJESA-N 1 3 372.557 2.039 20 0 FEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000369194381 556531739 /nfs/dbraw/zinc/53/17/39/556531739.db2.gz DIHZQEPSWOTPPU-LJQANCHMSA-N 1 3 373.545 2.466 20 0 FEADHO c1ccc(Cc2nnc3n2C[C@H](N[C@@H]2CC[N@@H+]4CCC[C@H]4C2)CC3)cc1 ZINC000369239686 556545607 /nfs/dbraw/zinc/54/56/07/556545607.db2.gz UTECLIQDAYJQOV-QRVBRYPASA-N 1 3 351.498 2.400 20 0 FEADHO c1ccc(Cc2nnc3n2C[C@H](N[C@@H]2CC[N@H+]4CCC[C@H]4C2)CC3)cc1 ZINC000369239686 556545608 /nfs/dbraw/zinc/54/56/08/556545608.db2.gz UTECLIQDAYJQOV-QRVBRYPASA-N 1 3 351.498 2.400 20 0 FEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000369393080 556589138 /nfs/dbraw/zinc/58/91/38/556589138.db2.gz CADPVUPLRDAJTR-WJFTUGDTSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000369393080 556589140 /nfs/dbraw/zinc/58/91/40/556589140.db2.gz CADPVUPLRDAJTR-WJFTUGDTSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000369400830 556591421 /nfs/dbraw/zinc/59/14/21/556591421.db2.gz JGXCDMODOPUFQB-QRQLOZEOSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000369400830 556591422 /nfs/dbraw/zinc/59/14/22/556591422.db2.gz JGXCDMODOPUFQB-QRQLOZEOSA-N 1 3 366.550 2.049 20 0 FEADHO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000369888742 556721432 /nfs/dbraw/zinc/72/14/32/556721432.db2.gz PJTATLXBWSNRNJ-WDSOQIARSA-N 1 3 361.534 2.446 20 0 FEADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000369956683 556741103 /nfs/dbraw/zinc/74/11/03/556741103.db2.gz CZKHVQFCGBIUOU-IZZBFERCSA-N 1 3 362.514 2.214 20 0 FEADHO Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000369956683 556741107 /nfs/dbraw/zinc/74/11/07/556741107.db2.gz CZKHVQFCGBIUOU-IZZBFERCSA-N 1 3 362.514 2.214 20 0 FEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000370135753 556790403 /nfs/dbraw/zinc/79/04/03/556790403.db2.gz JLGRJZHZOMSJOZ-XUVXKRRUSA-N 1 3 373.545 2.466 20 0 FEADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000370370964 556853254 /nfs/dbraw/zinc/85/32/54/556853254.db2.gz WXRMYQCKSRJAFR-HOJAQTOUSA-N 1 3 373.545 2.322 20 0 FEADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000370370964 556853258 /nfs/dbraw/zinc/85/32/58/556853258.db2.gz WXRMYQCKSRJAFR-HOJAQTOUSA-N 1 3 373.545 2.322 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cccc(N2CCOC2=O)c1 ZINC000370635623 556926579 /nfs/dbraw/zinc/92/65/79/556926579.db2.gz PPYMZJVJYNOMIL-FUHWJXTLSA-N 1 3 372.513 2.462 20 0 FEADHO COCCOc1cccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000370705587 556945231 /nfs/dbraw/zinc/94/52/31/556945231.db2.gz HPTMTKPCFMDJOM-RXVVDRJESA-N 1 3 361.530 2.170 20 0 FEADHO COCCOc1cccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000370705587 556945232 /nfs/dbraw/zinc/94/52/32/556945232.db2.gz HPTMTKPCFMDJOM-RXVVDRJESA-N 1 3 361.530 2.170 20 0 FEADHO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000371336475 557151250 /nfs/dbraw/zinc/15/12/50/557151250.db2.gz PKSUWWILONGOMI-LZQZEXGQSA-N 1 3 351.922 2.331 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000371336475 557151255 /nfs/dbraw/zinc/15/12/55/557151255.db2.gz PKSUWWILONGOMI-LZQZEXGQSA-N 1 3 351.922 2.331 20 0 FEADHO CS[C@H]1CN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)C[C@@H]1N(C)C ZINC000371353905 557157477 /nfs/dbraw/zinc/15/74/77/557157477.db2.gz KEOSISMPBMBNAQ-ROUUACIJSA-N 1 3 362.543 2.110 20 0 FEADHO COC(=O)c1ccc(F)c(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000371651911 557251645 /nfs/dbraw/zinc/25/16/45/557251645.db2.gz UNKPDDCXSGWNNF-SFHVURJKSA-N 1 3 363.477 2.213 20 0 FEADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000371722645 557274792 /nfs/dbraw/zinc/27/47/92/557274792.db2.gz GFHAAFPBSVHNSF-PXNSSMCTSA-N 1 3 374.529 2.232 20 0 FEADHO CC[NH+]1CCC(CNC(=O)NCc2cccc(OCCN(C)C)c2)CC1 ZINC000518400716 562110630 /nfs/dbraw/zinc/11/06/30/562110630.db2.gz ACEOHIWWKTZNKI-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000372193738 557405622 /nfs/dbraw/zinc/40/56/22/557405622.db2.gz XXSKSNAGPBEVEX-MJGOQNOKSA-N 1 3 351.535 2.114 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000372193738 557405623 /nfs/dbraw/zinc/40/56/23/557405623.db2.gz XXSKSNAGPBEVEX-MJGOQNOKSA-N 1 3 351.535 2.114 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000372193742 557405682 /nfs/dbraw/zinc/40/56/82/557405682.db2.gz XXSKSNAGPBEVEX-PKOBYXMFSA-N 1 3 351.535 2.114 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000372193742 557405686 /nfs/dbraw/zinc/40/56/86/557405686.db2.gz XXSKSNAGPBEVEX-PKOBYXMFSA-N 1 3 351.535 2.114 20 0 FEADHO Fc1ccc(-n2ccc(CCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000518959727 562121840 /nfs/dbraw/zinc/12/18/40/562121840.db2.gz IWKSHYICNLEFKW-HSALFYBXSA-N 1 3 358.461 2.301 20 0 FEADHO CC(C)N1CCN([C@@H]2CC[N@H+](CCN(C)Cc3ccc(F)cc3)C2)CC1 ZINC000372337614 557444300 /nfs/dbraw/zinc/44/43/00/557444300.db2.gz NQIWVQCWKGMIJT-OAQYLSRUSA-N 1 3 362.537 2.358 20 0 FEADHO CC(C)N1CCN([C@@H]2CC[N@@H+](CCN(C)Cc3ccc(F)cc3)C2)CC1 ZINC000372337614 557444302 /nfs/dbraw/zinc/44/43/02/557444302.db2.gz NQIWVQCWKGMIJT-OAQYLSRUSA-N 1 3 362.537 2.358 20 0 FEADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000372468000 557478688 /nfs/dbraw/zinc/47/86/88/557478688.db2.gz BBJGXZDBGZNHHS-UXHICEINSA-N 1 3 358.530 2.492 20 0 FEADHO CC(C)S(=O)(=O)CCCN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000372945735 557594312 /nfs/dbraw/zinc/59/43/12/557594312.db2.gz MJYXTZLVMNLODG-UHFFFAOYSA-N 1 3 353.532 2.443 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000373136749 557636018 /nfs/dbraw/zinc/63/60/18/557636018.db2.gz DUMBCHOSAHECTN-QFIPXVFZSA-N 1 3 372.557 2.487 20 0 FEADHO C[C@H](CCS(C)(=O)=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000373218373 557652402 /nfs/dbraw/zinc/65/24/02/557652402.db2.gz UKGANYBAYQYZIP-WBVHZDCISA-N 1 3 366.527 2.387 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373481871 557701688 /nfs/dbraw/zinc/70/16/88/557701688.db2.gz QZBCOCPUPKHEJW-IOJLRTSASA-N 1 3 358.530 2.475 20 0 FEADHO CN1CC[C@H](CNC(=O)c2csc(CC[NH3+])n2)[C@H]1c1cccs1 ZINC000373518441 557709901 /nfs/dbraw/zinc/70/99/01/557709901.db2.gz YDMJBTIPAJCOJZ-ABAIWWIYSA-N 1 3 350.513 2.129 20 0 FEADHO O=C(CC[NH2+]Cc1ccccc1CN1CCC(O)CC1)Nc1cccnc1 ZINC000520398248 562155568 /nfs/dbraw/zinc/15/55/68/562155568.db2.gz XIQXLIMDVYTVCZ-UHFFFAOYSA-N 1 3 368.481 2.157 20 0 FEADHO c1cnc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](CCCN3CCCC3)C4)n2)cn1 ZINC000373814641 557765495 /nfs/dbraw/zinc/76/54/95/557765495.db2.gz KFSMZAXDFQOOFM-OXQOHEQNSA-N 1 3 368.485 2.366 20 0 FEADHO c1cnc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](CCCN3CCCC3)C4)n2)cn1 ZINC000373814641 557765496 /nfs/dbraw/zinc/76/54/96/557765496.db2.gz KFSMZAXDFQOOFM-OXQOHEQNSA-N 1 3 368.485 2.366 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373931696 557789741 /nfs/dbraw/zinc/78/97/41/557789741.db2.gz CULAXAUXDUPTQE-DLBZAZTESA-N 1 3 366.575 2.274 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373931696 557789744 /nfs/dbraw/zinc/78/97/44/557789744.db2.gz CULAXAUXDUPTQE-DLBZAZTESA-N 1 3 366.575 2.274 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000520761753 562163040 /nfs/dbraw/zinc/16/30/40/562163040.db2.gz HLDAVZZOKVZFHL-QAPCUYQASA-N 1 3 362.543 2.397 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000520787177 562163706 /nfs/dbraw/zinc/16/37/06/562163706.db2.gz USPFKJKVDVXXNG-UHFFFAOYSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000521216474 562171853 /nfs/dbraw/zinc/17/18/53/562171853.db2.gz PSRFXAZBKGDQKL-SJORKVTESA-N 1 3 366.550 2.097 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000374897435 557947801 /nfs/dbraw/zinc/94/78/01/557947801.db2.gz PWOQINYSYQKCGB-NRFANRHFSA-N 1 3 358.530 2.097 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@H]2CCC[N@@H+]2CCc2ccccc2)CC1 ZINC000375021504 557965533 /nfs/dbraw/zinc/96/55/33/557965533.db2.gz PUJWBEPRMBZFGD-HXUWFJFHSA-N 1 3 356.514 2.255 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@H]2CCC[N@H+]2CCc2ccccc2)CC1 ZINC000375021504 557965534 /nfs/dbraw/zinc/96/55/34/557965534.db2.gz PUJWBEPRMBZFGD-HXUWFJFHSA-N 1 3 356.514 2.255 20 0 FEADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COC2CCOCC2)[C@H]1c1ccccc1 ZINC000375445172 558028881 /nfs/dbraw/zinc/02/88/81/558028881.db2.gz QQXJMQSDRMMMGU-SVFBPWRDSA-N 1 3 362.514 2.216 20 0 FEADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COC2CCOCC2)[C@H]1c1ccccc1 ZINC000375445172 558028883 /nfs/dbraw/zinc/02/88/83/558028883.db2.gz QQXJMQSDRMMMGU-SVFBPWRDSA-N 1 3 362.514 2.216 20 0 FEADHO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+](CCCN3CCCC3)C2)CC1 ZINC000375894368 558095415 /nfs/dbraw/zinc/09/54/15/558095415.db2.gz DRGWHJKNYJHVLM-SFHVURJKSA-N 1 3 366.550 2.099 20 0 FEADHO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@@H+](CCCN3CCCC3)C2)CC1 ZINC000375894368 558095417 /nfs/dbraw/zinc/09/54/17/558095417.db2.gz DRGWHJKNYJHVLM-SFHVURJKSA-N 1 3 366.550 2.099 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2OCC[C@H]2C1 ZINC000376049003 558119586 /nfs/dbraw/zinc/11/95/86/558119586.db2.gz WXRPFFLTKVOPDQ-SLYNCCJLSA-N 1 3 371.525 2.267 20 0 FEADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000521665491 562181598 /nfs/dbraw/zinc/18/15/98/562181598.db2.gz DWMDVNSXAGSWER-VAMGGRTRSA-N 1 3 358.530 2.462 20 0 FEADHO C[C@@H](NC(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000376798979 558222919 /nfs/dbraw/zinc/22/29/19/558222919.db2.gz MBWFFNCHZWBDEG-NVXWUHKLSA-N 1 3 364.559 2.026 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000522290428 562196307 /nfs/dbraw/zinc/19/63/07/562196307.db2.gz XSXLKWHKLYELSA-ICSRJNTNSA-N 1 3 371.529 2.314 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000522290428 562196308 /nfs/dbraw/zinc/19/63/08/562196308.db2.gz XSXLKWHKLYELSA-ICSRJNTNSA-N 1 3 371.529 2.314 20 0 FEADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ccc(Cn2cncn2)cc1 ZINC000378151184 558491574 /nfs/dbraw/zinc/49/15/74/558491574.db2.gz OKOPGJJSFUVNCQ-UIFIKXQLSA-N 1 3 369.513 2.305 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ccc(Cn2cncn2)cc1 ZINC000378151184 558491575 /nfs/dbraw/zinc/49/15/75/558491575.db2.gz OKOPGJJSFUVNCQ-UIFIKXQLSA-N 1 3 369.513 2.305 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC4(C3)CC[NH2+]CC4)cc2)CC1 ZINC000378396759 558547207 /nfs/dbraw/zinc/54/72/07/558547207.db2.gz DRTLQDQWHVCQFO-UHFFFAOYSA-N 1 3 356.514 2.044 20 0 FEADHO C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000523659858 562216825 /nfs/dbraw/zinc/21/68/25/562216825.db2.gz HCZBSBQQXSLSIZ-HXUWFJFHSA-N 1 3 358.530 2.484 20 0 FEADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(I)cc1 ZINC000397678550 558625043 /nfs/dbraw/zinc/62/50/43/558625043.db2.gz KMBMBASDHGXENZ-GFCCVEGCSA-N 1 3 374.266 2.399 20 0 FEADHO C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCC(C[NH+](C)C)CC2)CC1 ZINC000524370919 562227607 /nfs/dbraw/zinc/22/76/07/562227607.db2.gz KCEGYOMQQQAVCI-LJQANCHMSA-N 1 3 372.557 2.165 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000410395650 558755097 /nfs/dbraw/zinc/75/50/97/558755097.db2.gz QRPRHNUZOPMCOJ-UHFFFAOYSA-N 1 3 362.518 2.110 20 0 FEADHO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)CC1 ZINC000411267262 558864169 /nfs/dbraw/zinc/86/41/69/558864169.db2.gz YXRXIPPJPCTFSS-UHFFFAOYSA-N 1 3 374.529 2.233 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccccc2-n2cccn2)CC1 ZINC000411457966 558898172 /nfs/dbraw/zinc/89/81/72/558898172.db2.gz IIFORTOSMJTUFR-INIZCTEOSA-N 1 3 355.486 2.123 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000411474771 558900931 /nfs/dbraw/zinc/90/09/31/558900931.db2.gz LZPYIEFSYKONIU-PXNSSMCTSA-N 1 3 359.514 2.344 20 0 FEADHO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000412113125 559015091 /nfs/dbraw/zinc/01/50/91/559015091.db2.gz XERSQIYXKDRNDH-ROUUACIJSA-N 1 3 351.560 2.291 20 0 FEADHO C[C@H](CO)N1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412280102 559024504 /nfs/dbraw/zinc/02/45/04/559024504.db2.gz LLSZYIMXLDEXFN-GOSISDBHSA-N 1 3 359.514 2.201 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(-c2csnn2)cc1 ZINC000526134533 562268036 /nfs/dbraw/zinc/26/80/36/562268036.db2.gz ZSYJVGRPWVYXLI-UHFFFAOYSA-N 1 3 362.503 2.162 20 0 FEADHO C[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000414179265 559151697 /nfs/dbraw/zinc/15/16/97/559151697.db2.gz AFGPSJACLSEFOU-OAHLLOKOSA-N 1 3 353.457 2.412 20 0 FEADHO CN1CCC(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)(N2CCOCC2)CC1 ZINC000414184967 559151906 /nfs/dbraw/zinc/15/19/06/559151906.db2.gz GERHTPQISCQIIJ-CTNGQTDRSA-N 1 3 372.557 2.494 20 0 FEADHO CN1CCC(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)(N2CCOCC2)CC1 ZINC000414185094 559152060 /nfs/dbraw/zinc/15/20/60/559152060.db2.gz GHVMZAKNYGVLPW-KRWDZBQOSA-N 1 3 368.525 2.021 20 0 FEADHO COc1ccsc1[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414187266 559152286 /nfs/dbraw/zinc/15/22/86/559152286.db2.gz IFRHFQLSAOKNHT-OAHLLOKOSA-N 1 3 353.532 2.204 20 0 FEADHO CCCCO[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1(C)C ZINC000414197651 559152705 /nfs/dbraw/zinc/15/27/05/559152705.db2.gz PRQFZYGOGUWIRL-RTBURBONSA-N 1 3 367.578 2.356 20 0 FEADHO CN1CCC(C[NH2+]CCSCc2ccccc2)(N2CCOCC2)CC1 ZINC000414490017 559168155 /nfs/dbraw/zinc/16/81/55/559168155.db2.gz WYYJZTVFARKFGH-UHFFFAOYSA-N 1 3 363.571 2.306 20 0 FEADHO C[C@@H]1C[C@@H](CN2CCN(Cc3nc(-c4cccs4)no3)CC2)CC[NH2+]1 ZINC000414746428 559184499 /nfs/dbraw/zinc/18/44/99/559184499.db2.gz ZAHXSTQFGFPPEX-CABCVRRESA-N 1 3 361.515 2.304 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)C1 ZINC000414760338 559185921 /nfs/dbraw/zinc/18/59/21/559185921.db2.gz YGVBBBJARZFSCU-CABCVRRESA-N 1 3 374.460 2.344 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)C1 ZINC000414760338 559185922 /nfs/dbraw/zinc/18/59/22/559185922.db2.gz YGVBBBJARZFSCU-CABCVRRESA-N 1 3 374.460 2.344 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000414844352 559190573 /nfs/dbraw/zinc/19/05/73/559190573.db2.gz CTBLDSNTNLHKML-IYBDPMFKSA-N 1 3 360.502 2.114 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)[C@H]3CCCNC3)CC2)cc1 ZINC000414857696 559191260 /nfs/dbraw/zinc/19/12/60/559191260.db2.gz QCFRZAUGXWMPNM-IRXDYDNUSA-N 1 3 365.543 2.126 20 0 FEADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)NC[C@H](C)C[NH3+] ZINC000414874119 559192142 /nfs/dbraw/zinc/19/21/42/559192142.db2.gz ICWJUINCGUDPPI-GHMZBOCLSA-N 1 3 355.504 2.443 20 0 FEADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN ZINC000414874119 559192143 /nfs/dbraw/zinc/19/21/43/559192143.db2.gz ICWJUINCGUDPPI-GHMZBOCLSA-N 1 3 355.504 2.443 20 0 FEADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414887028 559193097 /nfs/dbraw/zinc/19/30/97/559193097.db2.gz WJSVWRKCNMSRSO-MAUKXSAKSA-N 1 3 360.502 2.416 20 0 FEADHO Cc1cc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc2cccnc12 ZINC000414984350 559198887 /nfs/dbraw/zinc/19/88/87/559198887.db2.gz LXOISOPBXUWFLL-INIZCTEOSA-N 1 3 352.404 2.469 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000415037801 559201939 /nfs/dbraw/zinc/20/19/39/559201939.db2.gz MLXSRRPCAJRZOZ-RDJZCZTQSA-N 1 3 372.513 2.114 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000415037801 559201940 /nfs/dbraw/zinc/20/19/40/559201940.db2.gz MLXSRRPCAJRZOZ-RDJZCZTQSA-N 1 3 372.513 2.114 20 0 FEADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CNCCCO1 ZINC000415043999 559202135 /nfs/dbraw/zinc/20/21/35/559202135.db2.gz RVRJNKNHRUFGDY-PBHICJAKSA-N 1 3 353.894 2.045 20 0 FEADHO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415068627 559203765 /nfs/dbraw/zinc/20/37/65/559203765.db2.gz NGMJHMUEOMGEIX-KRWDZBQOSA-N 1 3 350.532 2.383 20 0 FEADHO COc1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc2c1OCCO2 ZINC000415122827 559206449 /nfs/dbraw/zinc/20/64/49/559206449.db2.gz ISCJDAKMSDPRNV-QFBILLFUSA-N 1 3 362.470 2.185 20 0 FEADHO O=C1N[C@H]2CN(CCCCOc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415140869 559207998 /nfs/dbraw/zinc/20/79/98/559207998.db2.gz NUQQURLOSJBBGS-PMACEKPBSA-N 1 3 372.513 2.066 20 0 FEADHO C[C@]1(CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CCC[NH2+]C1 ZINC000415580084 559252183 /nfs/dbraw/zinc/25/21/83/559252183.db2.gz LIJQYBLLRPKKTP-NRFANRHFSA-N 1 3 372.513 2.117 20 0 FEADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Nc2ccnn2CCN(C)C)cc1 ZINC000415751480 559267684 /nfs/dbraw/zinc/26/76/84/559267684.db2.gz AHNCHYDXUXWOCX-QGZVFWFLSA-N 1 3 358.490 2.390 20 0 FEADHO CNCc1ccccc1NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000415914164 559282242 /nfs/dbraw/zinc/28/22/42/559282242.db2.gz UZRFVQJOORXXJZ-QZTJIDSGSA-N 1 3 373.545 2.428 20 0 FEADHO [NH3+]Cc1ccc(NC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cc1 ZINC000415958595 559284900 /nfs/dbraw/zinc/28/49/00/559284900.db2.gz NYYWLQPAMUIVJM-LJQANCHMSA-N 1 3 354.454 2.034 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416029582 559290033 /nfs/dbraw/zinc/29/00/33/559290033.db2.gz LLWHAHFHAKEQBB-BPLDGKMQSA-N 1 3 358.408 2.086 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000416827106 559334090 /nfs/dbraw/zinc/33/40/90/559334090.db2.gz QTSZZAYMVSEBCD-AYBZRNKSSA-N 1 3 360.502 2.259 20 0 FEADHO COc1ccc([C@H](CNC(=O)NC[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000416829586 559334162 /nfs/dbraw/zinc/33/41/62/559334162.db2.gz TXDFTBFCZBHKJR-LPHOPBHVSA-N 1 3 360.502 2.131 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416829666 559334247 /nfs/dbraw/zinc/33/42/47/559334247.db2.gz FTZBFTCEDWFTTN-UFYCRDLUSA-N 1 3 358.530 2.190 20 0 FEADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CNCCC1(F)F)c1ccccc1 ZINC000416841333 559334620 /nfs/dbraw/zinc/33/46/20/559334620.db2.gz LQXOBEXXYKDZJB-HOTGVXAUSA-N 1 3 354.445 2.366 20 0 FEADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CNCCC1(F)F)c1ccccc1 ZINC000416841335 559334671 /nfs/dbraw/zinc/33/46/71/559334671.db2.gz LQXOBEXXYKDZJB-JKSUJKDBSA-N 1 3 354.445 2.366 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NCC2=CC[NH2+]CC2)N2CCCC2)c1 ZINC000416840820 559334695 /nfs/dbraw/zinc/33/46/95/559334695.db2.gz GGFUIQUEJVSDQF-LJQANCHMSA-N 1 3 358.486 2.051 20 0 FEADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)N2CCCC2)c1 ZINC000416840961 559334714 /nfs/dbraw/zinc/33/47/14/559334714.db2.gz GMBRCBNCZFCVDJ-SUMDDJOVSA-N 1 3 360.502 2.259 20 0 FEADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)NCC2C[NH2+]C2)cc1 ZINC000416951705 559339910 /nfs/dbraw/zinc/33/99/10/559339910.db2.gz GAHBKRQCUGIMCA-UHFFFAOYSA-N 1 3 352.482 2.434 20 0 FEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000416969135 559340932 /nfs/dbraw/zinc/34/09/32/559340932.db2.gz KFXCNCMDXOMEHM-SFHVURJKSA-N 1 3 350.507 2.142 20 0 FEADHO C[NH+](C)CCOc1cccc(CNC(=O)NC[C@H](N)c2ccccc2)c1 ZINC000416978088 559341627 /nfs/dbraw/zinc/34/16/27/559341627.db2.gz UVXWSESIUVIRSH-IBGZPJMESA-N 1 3 356.470 2.126 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)NC[C@]1(COC)CCC[NH2+]1)c1ccsc1 ZINC000416998647 559343028 /nfs/dbraw/zinc/34/30/28/559343028.db2.gz BFVYYHBTRFQOPW-WMZOPIPTSA-N 1 3 368.547 2.199 20 0 FEADHO CC[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)N1CCc2ccccc2C1 ZINC000417005664 559343414 /nfs/dbraw/zinc/34/34/14/559343414.db2.gz DUYRQJVYVAUHQO-HOTGVXAUSA-N 1 3 354.445 2.105 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+])c1ccsc1 ZINC000417008262 559343453 /nfs/dbraw/zinc/34/34/53/559343453.db2.gz LYPJCUXCIBDICN-BRWVUGGUSA-N 1 3 368.547 2.279 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417022478 559344291 /nfs/dbraw/zinc/34/42/91/559344291.db2.gz KVWRYQZUBOSRCC-TZIWHRDSSA-N 1 3 370.541 2.466 20 0 FEADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000417043711 559345564 /nfs/dbraw/zinc/34/55/64/559345564.db2.gz XOTSIFAIPMRPMQ-IYARVYRRSA-N 1 3 358.530 2.499 20 0 FEADHO C[C@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000417089393 559347243 /nfs/dbraw/zinc/34/72/43/559347243.db2.gz OTBVDFLWHKZHOJ-LPHOPBHVSA-N 1 3 358.530 2.450 20 0 FEADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417088385 559347263 /nfs/dbraw/zinc/34/72/63/559347263.db2.gz KJLSQCCULPKDCA-CTNGQTDRSA-N 1 3 356.514 2.436 20 0 FEADHO C[C@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000417089394 559347339 /nfs/dbraw/zinc/34/73/39/559347339.db2.gz OTBVDFLWHKZHOJ-QFBILLFUSA-N 1 3 358.530 2.450 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417197776 559352607 /nfs/dbraw/zinc/35/26/07/559352607.db2.gz QISKIJYVGMCUFA-VQTJNVASSA-N 1 3 358.530 2.333 20 0 FEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000417219431 559353606 /nfs/dbraw/zinc/35/36/06/559353606.db2.gz JJLGBHMWDWFRNA-IJXRJRJASA-N 1 3 356.514 2.463 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000417328670 559357712 /nfs/dbraw/zinc/35/77/12/559357712.db2.gz IRGSZSATFRLXBF-OALUTQOASA-N 1 3 374.529 2.334 20 0 FEADHO Cc1ccc([C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)N2CCCC2)cc1 ZINC000417354473 559358833 /nfs/dbraw/zinc/35/88/33/559358833.db2.gz LVTFWDLESUAERW-CVEARBPZSA-N 1 3 354.445 2.414 20 0 FEADHO COCC[N@H+](C)CC[C@@H](NC(=O)N1CCNC(C)(C)C1)c1ccccc1 ZINC000417489357 559364328 /nfs/dbraw/zinc/36/43/28/559364328.db2.gz FLGBYNYLYHUXDX-GOSISDBHSA-N 1 3 362.518 2.089 20 0 FEADHO COCC[N@@H+](C)CC[C@@H](NC(=O)N1CCNC(C)(C)C1)c1ccccc1 ZINC000417489357 559364329 /nfs/dbraw/zinc/36/43/29/559364329.db2.gz FLGBYNYLYHUXDX-GOSISDBHSA-N 1 3 362.518 2.089 20 0 FEADHO C[NH2+][C@H]1CCCN(C(=O)N[C@H](CCN(C)CCOC)c2ccccc2)C1 ZINC000417499059 559364802 /nfs/dbraw/zinc/36/48/02/559364802.db2.gz DRVUHTURAXZMSA-RBUKOAKNSA-N 1 3 362.518 2.089 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000417512073 559365333 /nfs/dbraw/zinc/36/53/33/559365333.db2.gz HAUASIOQWNPIFR-HAGHYFMRSA-N 1 3 374.529 2.075 20 0 FEADHO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417594910 559368690 /nfs/dbraw/zinc/36/86/90/559368690.db2.gz NIRUKPULSZYFDW-IBGZPJMESA-N 1 3 374.529 2.302 20 0 FEADHO COc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCCN(C)C ZINC000417652340 559370444 /nfs/dbraw/zinc/37/04/44/559370444.db2.gz PCCOALIXWKBBHS-ZBFHGGJFSA-N 1 3 364.490 2.240 20 0 FEADHO COc1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCCN(C)C ZINC000417652340 559370445 /nfs/dbraw/zinc/37/04/45/559370445.db2.gz PCCOALIXWKBBHS-ZBFHGGJFSA-N 1 3 364.490 2.240 20 0 FEADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417676162 559371922 /nfs/dbraw/zinc/37/19/22/559371922.db2.gz CUFDMKVPRJNSDJ-OALUTQOASA-N 1 3 358.530 2.496 20 0 FEADHO C[NH2+][C@H]1CCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000417688398 559372518 /nfs/dbraw/zinc/37/25/18/559372518.db2.gz RVVULJHVYNYYGX-OALUTQOASA-N 1 3 358.530 2.463 20 0 FEADHO CN1CCC[C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@@H]1c1cccs1 ZINC000417734289 559374597 /nfs/dbraw/zinc/37/45/97/559374597.db2.gz JSBWIRBKWFGYKI-KYHPRHEASA-N 1 3 362.543 2.382 20 0 FEADHO O=C(NC[C@H]1NCCc2ccccc21)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417795220 559376656 /nfs/dbraw/zinc/37/66/56/559376656.db2.gz OBFUMQCCKSHYDT-AZUAARDMSA-N 1 3 356.514 2.437 20 0 FEADHO O=C(NC[C@H]1NCCc2ccccc21)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000417795220 559376657 /nfs/dbraw/zinc/37/66/57/559376657.db2.gz OBFUMQCCKSHYDT-AZUAARDMSA-N 1 3 356.514 2.437 20 0 FEADHO O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCC[C@@H]1CC[NH2+]C1 ZINC000417989717 559385504 /nfs/dbraw/zinc/38/55/04/559385504.db2.gz QOFSLKVTMVOPQF-IBGZPJMESA-N 1 3 374.529 2.003 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000418020124 559386994 /nfs/dbraw/zinc/38/69/94/559386994.db2.gz ZDZABXBHMXBJES-FXAWDEMLSA-N 1 3 374.529 2.046 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccccc1C(=O)N(C)C ZINC000418068643 559388914 /nfs/dbraw/zinc/38/89/14/559388914.db2.gz OIRQCACUMPPAOU-IBGZPJMESA-N 1 3 360.546 2.236 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccccc1C(=O)N(C)C ZINC000418068643 559388915 /nfs/dbraw/zinc/38/89/15/559388915.db2.gz OIRQCACUMPPAOU-IBGZPJMESA-N 1 3 360.546 2.236 20 0 FEADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)C1CCCC1 ZINC000418073342 559389020 /nfs/dbraw/zinc/38/90/20/559389020.db2.gz MHNDHYCLAVLZRX-PMACEKPBSA-N 1 3 374.529 2.094 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000418145552 559391846 /nfs/dbraw/zinc/39/18/46/559391846.db2.gz OJCCMVWSMYUQMD-SLFFLAALSA-N 1 3 356.514 2.148 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)C1CC1 ZINC000418152516 559392024 /nfs/dbraw/zinc/39/20/24/559392024.db2.gz UBWWMYAJKTYUSO-HSALFYBXSA-N 1 3 356.514 2.148 20 0 FEADHO C[C@H]1CN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC[C@@H]1[NH3+] ZINC000418165287 559392638 /nfs/dbraw/zinc/39/26/38/559392638.db2.gz IHARCCZRLUDOKF-KXBFYZLASA-N 1 3 360.502 2.038 20 0 FEADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)N(C)C)cc1 ZINC000418191168 559393465 /nfs/dbraw/zinc/39/34/65/559393465.db2.gz KLHMPXPKYAVIJC-AABGKKOBSA-N 1 3 358.530 2.491 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[C@](C)(C[NH3+])C2)N(C)C)cc1 ZINC000418201510 559393789 /nfs/dbraw/zinc/39/37/89/559393789.db2.gz HTMSWPBDKJWYLU-UYAOXDASSA-N 1 3 362.518 2.457 20 0 FEADHO CSC1(CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)CCN(C)CC1 ZINC000418197678 559393847 /nfs/dbraw/zinc/39/38/47/559393847.db2.gz JXEMLYZRPADNDB-AWEZNQCLSA-N 1 3 350.532 2.333 20 0 FEADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000418202509 559393882 /nfs/dbraw/zinc/39/38/82/559393882.db2.gz IYNIQWPWLWMRDD-IEBWSBKVSA-N 1 3 362.518 2.470 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)N(C)C)cc1 ZINC000418208547 559394017 /nfs/dbraw/zinc/39/40/17/559394017.db2.gz QQHRAHVVRIYKOU-SNRMKQJTSA-N 1 3 362.518 2.455 20 0 FEADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@@H](CC[NH3+])C(F)F)CCC1 ZINC000418236862 559395098 /nfs/dbraw/zinc/39/50/98/559395098.db2.gz CDEFQWLLRNXRGP-HNNXBMFYSA-N 1 3 354.445 2.323 20 0 FEADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC000418342761 559398182 /nfs/dbraw/zinc/39/81/82/559398182.db2.gz NFAITWJFUJFSEW-CVEARBPZSA-N 1 3 350.482 2.287 20 0 FEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418339456 559398224 /nfs/dbraw/zinc/39/82/24/559398224.db2.gz MMKGLSLMDKBQFP-HNNXBMFYSA-N 1 3 352.910 2.413 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000418606720 559407672 /nfs/dbraw/zinc/40/76/72/559407672.db2.gz VYVHAHAETLLUMZ-SFHVURJKSA-N 1 3 356.514 2.460 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418618064 559408171 /nfs/dbraw/zinc/40/81/71/559408171.db2.gz IVBHBTQBJAXARR-GOSISDBHSA-N 1 3 350.482 2.416 20 0 FEADHO CN(C(=O)N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418765512 559414741 /nfs/dbraw/zinc/41/47/41/559414741.db2.gz ORUVMFFXEHSCRD-IRXDYDNUSA-N 1 3 366.456 2.290 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418786812 559416100 /nfs/dbraw/zinc/41/61/00/559416100.db2.gz IKIHUBBQZPEAIH-YQVWRLOYSA-N 1 3 362.493 2.287 20 0 FEADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000418802838 559416709 /nfs/dbraw/zinc/41/67/09/559416709.db2.gz VWZKPNBFGGHNBS-YESZJQIVSA-N 1 3 360.502 2.274 20 0 FEADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420328056 559480703 /nfs/dbraw/zinc/48/07/03/559480703.db2.gz HCHQWFDDZMLJQP-DBVUQKKJSA-N 1 3 359.514 2.170 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000420398282 559485324 /nfs/dbraw/zinc/48/53/24/559485324.db2.gz GVCQCEJGLTZFHK-LWYYNNOASA-N 1 3 362.420 2.315 20 0 FEADHO CN(C[C@H]1CCC[N@@H+]1C)c1ncc(Cl)c(N(C)C[C@@H]2CCCN2C)n1 ZINC000420635983 559494616 /nfs/dbraw/zinc/49/46/16/559494616.db2.gz MYPFGIKNETXNJV-LSDHHAIUSA-N 1 3 366.941 2.191 20 0 FEADHO CN(C[C@H]1CCC[N@H+]1C)c1ncc(Cl)c(N(C)C[C@@H]2CCCN2C)n1 ZINC000420635983 559494617 /nfs/dbraw/zinc/49/46/17/559494617.db2.gz MYPFGIKNETXNJV-LSDHHAIUSA-N 1 3 366.941 2.191 20 0 FEADHO CCCN1C[C@H](C[NH2+]Cc2ccccc2N2CCN(CC)CC2)CC1=O ZINC000421345288 559539826 /nfs/dbraw/zinc/53/98/26/559539826.db2.gz AINKCHKDKHOCRP-SFHVURJKSA-N 1 3 358.530 2.177 20 0 FEADHO CN1CCN(c2ncccc2CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422709743 559603652 /nfs/dbraw/zinc/60/36/52/559603652.db2.gz DVZJRDRDFBHJJB-VAMGGRTRSA-N 1 3 357.546 2.234 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CC[NH2+]CC[C@H]2C)s1 ZINC000422710275 559603910 /nfs/dbraw/zinc/60/39/10/559603910.db2.gz FORNHIUKLJSAIQ-GDBMZVCRSA-N 1 3 373.588 2.299 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422737385 559604861 /nfs/dbraw/zinc/60/48/61/559604861.db2.gz HVKHKUPYZRHRPD-QZTJIDSGSA-N 1 3 353.532 2.264 20 0 FEADHO CC(C)[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCOCC1 ZINC000422806507 559607028 /nfs/dbraw/zinc/60/70/28/559607028.db2.gz NLENOVVDSXXIKL-DYXWJJEUSA-N 1 3 359.514 2.189 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2cc(OC)ccc2OC)CC[NH2+]CC1 ZINC000422807134 559607051 /nfs/dbraw/zinc/60/70/51/559607051.db2.gz OKUJHNJTYCPYST-CQSZACIVSA-N 1 3 350.459 2.115 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000422809466 559607303 /nfs/dbraw/zinc/60/73/03/559607303.db2.gz PVYOAILWDBHXNJ-WQCNXYOZSA-N 1 3 367.921 2.055 20 0 FEADHO C(N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1(CN2CCOCC2)CCCCC1 ZINC000422846233 559608290 /nfs/dbraw/zinc/60/82/90/559608290.db2.gz FCEJUIIOYOXALN-XUVXKRRUSA-N 1 3 365.562 2.016 20 0 FEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422848709 559608499 /nfs/dbraw/zinc/60/84/99/559608499.db2.gz UEEIMQRGOVRWJT-OALUTQOASA-N 1 3 373.545 2.021 20 0 FEADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cnccc1N ZINC000422891264 559609961 /nfs/dbraw/zinc/60/99/61/559609961.db2.gz UZEFGASTKDWIEM-QAPCUYQASA-N 1 3 367.497 2.042 20 0 FEADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cnccc1N ZINC000422891264 559609962 /nfs/dbraw/zinc/60/99/62/559609962.db2.gz UZEFGASTKDWIEM-QAPCUYQASA-N 1 3 367.497 2.042 20 0 FEADHO C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@]1(N2CCOCC2)CCSC1 ZINC000422898950 559610447 /nfs/dbraw/zinc/61/04/47/559610447.db2.gz GGTMWDHHFMASMK-ZSYWTGECSA-N 1 3 353.576 2.095 20 0 FEADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])C1 ZINC000422911500 559610997 /nfs/dbraw/zinc/61/09/97/559610997.db2.gz TXGHRHNFONIIMA-QCEMKRCNSA-N 1 3 353.894 2.269 20 0 FEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCN1c2ccccc2OCC1=O ZINC000422923926 559611451 /nfs/dbraw/zinc/61/14/51/559611451.db2.gz SYWACVRPTMYQKB-AWEZNQCLSA-N 1 3 354.454 2.315 20 0 FEADHO COC[C@H](CCC[NH3+])NCc1cc(Br)c(OC)c(OC)c1 ZINC000422942681 559612303 /nfs/dbraw/zinc/61/23/03/559612303.db2.gz JNCBTPTYTDBGMK-LBPRGKRZSA-N 1 3 361.280 2.310 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000422951201 559612606 /nfs/dbraw/zinc/61/26/06/559612606.db2.gz ZVSJJMFCHXGDSV-QZHFEQFPSA-N 1 3 367.921 2.055 20 0 FEADHO CN1CCC(Oc2ccc(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000423098159 559618743 /nfs/dbraw/zinc/61/87/43/559618743.db2.gz CHDDHRPBKSFREY-FDFHNCONSA-N 1 3 373.541 2.406 20 0 FEADHO Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000423112266 559619788 /nfs/dbraw/zinc/61/97/88/559619788.db2.gz RXGDAOURKPXHHH-ZFWWWQNUSA-N 1 3 359.923 2.034 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCC[C@H]1CN ZINC000423154555 559621262 /nfs/dbraw/zinc/62/12/62/559621262.db2.gz JQNZDGRLTKCQOH-XEZPLFJOSA-N 1 3 371.319 2.326 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@H]1CCC[C@H]1C[NH3+] ZINC000423154555 559621263 /nfs/dbraw/zinc/62/12/63/559621263.db2.gz JQNZDGRLTKCQOH-XEZPLFJOSA-N 1 3 371.319 2.326 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](Nc2ccc(N3CCNCC3)cn2)[C@H](C)C1 ZINC000423230768 559623280 /nfs/dbraw/zinc/62/32/80/559623280.db2.gz JYBKIQNMWUATJM-MJGOQNOKSA-N 1 3 361.534 2.040 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](Nc2ccc(N3CCNCC3)cn2)[C@H](C)C1 ZINC000423230768 559623281 /nfs/dbraw/zinc/62/32/81/559623281.db2.gz JYBKIQNMWUATJM-MJGOQNOKSA-N 1 3 361.534 2.040 20 0 FEADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000423840458 559642092 /nfs/dbraw/zinc/64/20/92/559642092.db2.gz DZBJWAVZBSZZPO-ZJOUEHCJSA-N 1 3 359.514 2.301 20 0 FEADHO C[C@@H]1C[C@H](CCNC(=O)CNC[C@H]2CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000423894659 559644462 /nfs/dbraw/zinc/64/44/62/559644462.db2.gz FASQFSHQEQLZJL-YZGWKJHDSA-N 1 3 359.514 2.172 20 0 FEADHO C[C@@H]1C[C@H](CCNC(=O)CNC[C@H]2CCCO2)C[N@H+]1Cc1ccccc1 ZINC000423894659 559644463 /nfs/dbraw/zinc/64/44/63/559644463.db2.gz FASQFSHQEQLZJL-YZGWKJHDSA-N 1 3 359.514 2.172 20 0 FEADHO CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H](Cc3ccccc3)C(=O)NCCN(C)C)C[C@H]2C1 ZINC000424277033 559660593 /nfs/dbraw/zinc/66/05/93/559660593.db2.gz GKDUKLQIAWELHB-QSUVIHHLSA-N 1 3 373.541 2.069 20 0 FEADHO CCN1CCN(Cc2ccc(CNC(=O)C[C@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000427276768 559752036 /nfs/dbraw/zinc/75/20/36/559752036.db2.gz XYRCTEOIGBMMBP-IBGZPJMESA-N 1 3 372.557 2.220 20 0 FEADHO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)[C@@H]2CCCN2C2CC2)[C@@H]1c1cnn(C)c1 ZINC000427490092 559756540 /nfs/dbraw/zinc/75/65/40/559756540.db2.gz GXBHMMOHEYPIDQ-FFZOFVMBSA-N 1 3 373.545 2.278 20 0 FEADHO CC[N@H+]1CCC[C@@H](CN(C)C(=O)[C@@H]2CCCN2C2CC2)[C@@H]1c1cnn(C)c1 ZINC000427490092 559756541 /nfs/dbraw/zinc/75/65/41/559756541.db2.gz GXBHMMOHEYPIDQ-FFZOFVMBSA-N 1 3 373.545 2.278 20 0 FEADHO O=C(NCCC[NH+]1CCCC1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000428745630 559782325 /nfs/dbraw/zinc/78/23/25/559782325.db2.gz FQIPXNOZILQHTP-HXUWFJFHSA-N 1 3 374.529 2.063 20 0 FEADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCC1 ZINC000428997562 559787797 /nfs/dbraw/zinc/78/77/97/559787797.db2.gz QHVLJUMEWQSFDZ-IBGZPJMESA-N 1 3 374.529 2.061 20 0 FEADHO C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c(OC)c1 ZINC000429036555 559789533 /nfs/dbraw/zinc/78/95/33/559789533.db2.gz QMFHIWPBDAYEQV-SSLJAQGJSA-N 1 3 360.498 2.496 20 0 FEADHO C/C=C\c1ccc(OC[C@H](O)C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c(OC)c1 ZINC000429036555 559789534 /nfs/dbraw/zinc/78/95/34/559789534.db2.gz QMFHIWPBDAYEQV-SSLJAQGJSA-N 1 3 360.498 2.496 20 0 FEADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430589578 559823821 /nfs/dbraw/zinc/82/38/21/559823821.db2.gz FAOJBVSSWGIYTL-VQIMIIECSA-N 1 3 362.493 2.066 20 0 FEADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430589578 559823822 /nfs/dbraw/zinc/82/38/22/559823822.db2.gz FAOJBVSSWGIYTL-VQIMIIECSA-N 1 3 362.493 2.066 20 0 FEADHO COCC[C@]1(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)CC[NH2+]C1 ZINC000430700453 559826701 /nfs/dbraw/zinc/82/67/01/559826701.db2.gz BPZLDFAMMHJOTB-IFMALSPDSA-N 1 3 373.541 2.202 20 0 FEADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000430704647 559826780 /nfs/dbraw/zinc/82/67/80/559826780.db2.gz IVFRBQAZSXNPLB-RBBKRZOGSA-N 1 3 371.525 2.270 20 0 FEADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000430704647 559826781 /nfs/dbraw/zinc/82/67/81/559826781.db2.gz IVFRBQAZSXNPLB-RBBKRZOGSA-N 1 3 371.525 2.270 20 0 FEADHO COCC[C@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]C1 ZINC000430910550 559830115 /nfs/dbraw/zinc/83/01/15/559830115.db2.gz VOUXEKJAQRMDFA-FBBABVLZSA-N 1 3 359.514 2.172 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@H](C)N2CCC3(CC[NH2+]C3)CC2)cc1F ZINC000431022993 559832509 /nfs/dbraw/zinc/83/25/09/559832509.db2.gz GJWNHFXRLPFBGY-HNNXBMFYSA-N 1 3 363.477 2.257 20 0 FEADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000431023201 559832632 /nfs/dbraw/zinc/83/26/32/559832632.db2.gz GWWWHNGKLRRJMU-UNMCSNQZSA-N 1 3 373.541 2.373 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCCN1CCOC ZINC000431974679 559849635 /nfs/dbraw/zinc/84/96/35/559849635.db2.gz SKEUSEVGTFCJQX-OTWHNJEPSA-N 1 3 368.566 2.297 20 0 FEADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000432854225 559866306 /nfs/dbraw/zinc/86/63/06/559866306.db2.gz MVDBCIFWNAMALQ-HAGHYFMRSA-N 1 3 371.529 2.343 20 0 FEADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000432854225 559866307 /nfs/dbraw/zinc/86/63/07/559866307.db2.gz MVDBCIFWNAMALQ-HAGHYFMRSA-N 1 3 371.529 2.343 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000436486355 559943018 /nfs/dbraw/zinc/94/30/18/559943018.db2.gz ISDLUACJQHFAOQ-UHFFFAOYSA-N 1 3 362.522 2.363 20 0 FEADHO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000438201695 559975590 /nfs/dbraw/zinc/97/55/90/559975590.db2.gz QTVKTYMJQIAKHL-FGZHOGPDSA-N 1 3 359.558 2.477 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C(C)C)on1 ZINC000438542010 559980360 /nfs/dbraw/zinc/98/03/60/559980360.db2.gz UJWZUZFEBMVNPP-HNNXBMFYSA-N 1 3 351.495 2.678 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C(C)C)on1 ZINC000438542010 559980361 /nfs/dbraw/zinc/98/03/61/559980361.db2.gz UJWZUZFEBMVNPP-HNNXBMFYSA-N 1 3 351.495 2.678 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000440184130 560006365 /nfs/dbraw/zinc/00/63/65/560006365.db2.gz HQXQRKDGTIVJPF-GOSISDBHSA-N 1 3 368.566 2.249 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000440184130 560006366 /nfs/dbraw/zinc/00/63/66/560006366.db2.gz HQXQRKDGTIVJPF-GOSISDBHSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H](C)O1 ZINC000440959427 560020341 /nfs/dbraw/zinc/02/03/41/560020341.db2.gz LOMMZCMNLOUYRV-SCTDSRPQSA-N 1 3 351.535 2.399 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H](C)O1 ZINC000440959427 560020342 /nfs/dbraw/zinc/02/03/42/560020342.db2.gz LOMMZCMNLOUYRV-SCTDSRPQSA-N 1 3 351.535 2.399 20 0 FEADHO CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443068388 560068830 /nfs/dbraw/zinc/06/88/30/560068830.db2.gz HYVQBYLZEIDHIB-INIZCTEOSA-N 1 3 363.502 2.113 20 0 FEADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000443075308 560069459 /nfs/dbraw/zinc/06/94/59/560069459.db2.gz RKCWODZAJUXDLM-CQSZACIVSA-N 1 3 373.419 2.305 20 0 FEADHO CC(C)[C@H](C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1)N1CCCCC1 ZINC000443812672 560093729 /nfs/dbraw/zinc/09/37/29/560093729.db2.gz YXADUUYDQWLJRO-RBUKOAKNSA-N 1 3 351.535 2.210 20 0 FEADHO C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N(C)CC1([NH+](C)C)CCC1 ZINC000445868563 560135866 /nfs/dbraw/zinc/13/58/66/560135866.db2.gz HXBMNMRMSVBVHL-AZUAARDMSA-N 1 3 372.557 2.182 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000446265164 560143117 /nfs/dbraw/zinc/14/31/17/560143117.db2.gz NYXBJICQSXCLJE-WOIUINJBSA-N 1 3 371.525 2.431 20 0 FEADHO CN(CCNC(=O)N(CC[NH+](C)C)Cc1ccco1)Cc1ccccc1 ZINC000447320727 560160132 /nfs/dbraw/zinc/16/01/32/560160132.db2.gz FQRDSZUEIKBDJR-UHFFFAOYSA-N 1 3 358.486 2.485 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449148995 560218110 /nfs/dbraw/zinc/21/81/10/560218110.db2.gz LWWBGRBFLRUPHF-MRXNPFEDSA-N 1 3 371.447 2.071 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+]CC3(C)C)cc2)CC1 ZINC000449701407 560237442 /nfs/dbraw/zinc/23/74/42/560237442.db2.gz CFFZTYLTKSRTNL-IBGZPJMESA-N 1 3 358.530 2.335 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCCO1 ZINC000451190688 560292195 /nfs/dbraw/zinc/29/21/95/560292195.db2.gz YHHSHALEBHSXHA-MJGOQNOKSA-N 1 3 351.535 2.401 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCCO1 ZINC000451190688 560292196 /nfs/dbraw/zinc/29/21/96/560292196.db2.gz YHHSHALEBHSXHA-MJGOQNOKSA-N 1 3 351.535 2.401 20 0 FEADHO C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000453588403 560389809 /nfs/dbraw/zinc/38/98/09/560389809.db2.gz DGIGEMQALDDNQN-DNVCBOLYSA-N 1 3 372.513 2.022 20 0 FEADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NCCN3CCCCCC3)ccc21 ZINC000453598778 560390389 /nfs/dbraw/zinc/39/03/89/560390389.db2.gz MHQUSWNYUGMNTI-LJQANCHMSA-N 1 3 372.513 2.166 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453654229 560393679 /nfs/dbraw/zinc/39/36/79/560393679.db2.gz NURCZVXEABOOTM-IEBWSBKVSA-N 1 3 372.513 2.165 20 0 FEADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000453662762 560394490 /nfs/dbraw/zinc/39/44/90/560394490.db2.gz DPDGPBODRPKWKV-NIKGAXFTSA-N 1 3 372.513 2.019 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)NC[C@H](C)[NH+](C)C)CC2)cc1 ZINC000454409866 560443431 /nfs/dbraw/zinc/44/34/31/560443431.db2.gz SIVWBIDTZLFCOV-INIZCTEOSA-N 1 3 362.518 2.157 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)CC2)CC1 ZINC000454440477 560444692 /nfs/dbraw/zinc/44/46/92/560444692.db2.gz AZWCLDUHBOIUKU-FIBVWIARSA-N 1 3 372.557 2.399 20 0 FEADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(C3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000454636023 560452272 /nfs/dbraw/zinc/45/22/72/560452272.db2.gz FBASGUSIKFVWAU-HKUYNNGSSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000454636023 560452273 /nfs/dbraw/zinc/45/22/73/560452273.db2.gz FBASGUSIKFVWAU-HKUYNNGSSA-N 1 3 356.514 2.387 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000455668701 560491189 /nfs/dbraw/zinc/49/11/89/560491189.db2.gz MGNWTRFQKSEQED-UHFFFAOYSA-N 1 3 350.511 2.221 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000455668701 560491190 /nfs/dbraw/zinc/49/11/90/560491190.db2.gz MGNWTRFQKSEQED-UHFFFAOYSA-N 1 3 350.511 2.221 20 0 FEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000458097988 560603001 /nfs/dbraw/zinc/60/30/01/560603001.db2.gz FZWKOWAJIPXASO-SFHVURJKSA-N 1 3 362.518 2.251 20 0 FEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000458097988 560603002 /nfs/dbraw/zinc/60/30/02/560603002.db2.gz FZWKOWAJIPXASO-SFHVURJKSA-N 1 3 362.518 2.251 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)c(C)n1 ZINC000459243019 560675910 /nfs/dbraw/zinc/67/59/10/560675910.db2.gz SFIUQCDQZJXDRD-IBGZPJMESA-N 1 3 361.534 2.256 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)c(C)n1 ZINC000459243019 560675911 /nfs/dbraw/zinc/67/59/11/560675911.db2.gz SFIUQCDQZJXDRD-IBGZPJMESA-N 1 3 361.534 2.256 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000459288803 560677761 /nfs/dbraw/zinc/67/77/61/560677761.db2.gz GKEBZEWTYBLQKY-APWZRJJASA-N 1 3 362.518 2.329 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459288803 560677763 /nfs/dbraw/zinc/67/77/63/560677763.db2.gz GKEBZEWTYBLQKY-APWZRJJASA-N 1 3 362.518 2.329 20 0 FEADHO COc1cnccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000459434047 560686349 /nfs/dbraw/zinc/68/63/49/560686349.db2.gz CKHRRFVLGZACJF-LJQANCHMSA-N 1 3 352.482 2.487 20 0 FEADHO COc1cnccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459434047 560686350 /nfs/dbraw/zinc/68/63/50/560686350.db2.gz CKHRRFVLGZACJF-LJQANCHMSA-N 1 3 352.482 2.487 20 0 FEADHO CCN1C[C@@H](C)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000459477876 560688576 /nfs/dbraw/zinc/68/85/76/560688576.db2.gz MNPLFMNRSAGNIE-KDURUIRLSA-N 1 3 372.557 2.313 20 0 FEADHO CCN1C[C@H](C)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000459477879 560688650 /nfs/dbraw/zinc/68/86/50/560688650.db2.gz MNPLFMNRSAGNIE-OALUTQOASA-N 1 3 372.557 2.313 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000465893296 560875223 /nfs/dbraw/zinc/87/52/23/560875223.db2.gz DWAWCPIJWPSCIG-RLLQIKCJSA-N 1 3 358.530 2.333 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000465893296 560875224 /nfs/dbraw/zinc/87/52/24/560875224.db2.gz DWAWCPIJWPSCIG-RLLQIKCJSA-N 1 3 358.530 2.333 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000466033315 560878516 /nfs/dbraw/zinc/87/85/16/560878516.db2.gz BWSTYUAIYXWYNQ-SJORKVTESA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CC(C)(C)OC ZINC000466093380 560880104 /nfs/dbraw/zinc/88/01/04/560880104.db2.gz NEISGHWQEYPHGM-IAGOWNOFSA-N 1 3 356.555 2.248 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CC(C)(C)OC ZINC000466093380 560880105 /nfs/dbraw/zinc/88/01/05/560880105.db2.gz NEISGHWQEYPHGM-IAGOWNOFSA-N 1 3 356.555 2.248 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000466791743 560895729 /nfs/dbraw/zinc/89/57/29/560895729.db2.gz RTVMLVOINUKUGS-VQIMIIECSA-N 1 3 366.550 2.002 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000469854110 560966673 /nfs/dbraw/zinc/96/66/73/560966673.db2.gz LVIWHSGUGWMLSU-ZBFHGGJFSA-N 1 3 373.526 2.218 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2ccc3ncccc3c2)C1)[C@H]1CCC[NH2+]1 ZINC000469860370 560967133 /nfs/dbraw/zinc/96/71/33/560967133.db2.gz FIGPCJZSKCRPBI-FXAWDEMLSA-N 1 3 352.482 2.315 20 0 FEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000469977221 560970343 /nfs/dbraw/zinc/97/03/43/560970343.db2.gz QPEAOHFHFHODAS-NRFANRHFSA-N 1 3 372.557 2.498 20 0 FEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000469977221 560970344 /nfs/dbraw/zinc/97/03/44/560970344.db2.gz QPEAOHFHFHODAS-NRFANRHFSA-N 1 3 372.557 2.498 20 0 FEADHO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2c(c1)CNC2 ZINC000470370739 560979778 /nfs/dbraw/zinc/97/97/78/560979778.db2.gz AJOXMCQTFBCVCD-UHFFFAOYSA-N 1 3 365.477 2.177 20 0 FEADHO CC(C)[NH+](CCCNC(=O)N1CCC(OCCN(C)C)CC1)C(C)C ZINC000470498247 560983396 /nfs/dbraw/zinc/98/33/96/560983396.db2.gz VDLTZMFVFAVPSL-UHFFFAOYSA-N 1 3 356.555 2.248 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCN2[C@H](C)CCC[C@H]2C)C1 ZINC000472981502 561039331 /nfs/dbraw/zinc/03/93/31/561039331.db2.gz VZJLMNKVCQFODM-GUDVDZBRSA-N 1 3 368.566 2.392 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000472987839 561039571 /nfs/dbraw/zinc/03/95/71/561039571.db2.gz GFJKDXWGKIVNAE-QZTJIDSGSA-N 1 3 354.539 2.003 20 0 FEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000473203424 561044051 /nfs/dbraw/zinc/04/40/51/561044051.db2.gz SOFDRFQSVBMTIV-HXUWFJFHSA-N 1 3 361.530 2.426 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@@H]1C ZINC000475040633 561088609 /nfs/dbraw/zinc/08/86/09/561088609.db2.gz ULOVYXDZWQXPLN-IHPCNDPISA-N 1 3 360.546 2.210 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@@H]1C ZINC000475040633 561088610 /nfs/dbraw/zinc/08/86/10/561088610.db2.gz ULOVYXDZWQXPLN-IHPCNDPISA-N 1 3 360.546 2.210 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000476254826 561114601 /nfs/dbraw/zinc/11/46/01/561114601.db2.gz XLZRIBYULSFBHF-LJQANCHMSA-N 1 3 374.573 2.429 20 0 FEADHO O=C(NC[C@@H]1CCN1C1CCCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000528151686 562316286 /nfs/dbraw/zinc/31/62/86/562316286.db2.gz SPQXKDQCUDWXAG-IBGZPJMESA-N 1 3 357.502 2.320 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000528286637 562320745 /nfs/dbraw/zinc/32/07/45/562320745.db2.gz GSHOZEUUMYYOHT-MOPGFXCFSA-N 1 3 366.550 2.146 20 0 FEADHO CO[C@H](Cc1ccc(F)cc1)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000528430692 562329029 /nfs/dbraw/zinc/32/90/29/562329029.db2.gz KOMKFVKMWGDLOH-IOMROCGXSA-N 1 3 363.521 2.341 20 0 FEADHO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc4c(c3)OCCNC4)C2)CC1 ZINC000528716611 562343591 /nfs/dbraw/zinc/34/35/91/562343591.db2.gz ADDIZDSJKSRQJC-QGZVFWFLSA-N 1 3 358.486 2.364 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529298443 562367930 /nfs/dbraw/zinc/36/79/30/562367930.db2.gz HJUSNKAGIPHWAS-OALUTQOASA-N 1 3 356.514 2.482 20 0 FEADHO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)n(C2CCN(C)CC2)n1 ZINC000530712146 562421369 /nfs/dbraw/zinc/42/13/69/562421369.db2.gz XBHVSHOAAJEQEL-MRXNPFEDSA-N 1 3 362.522 2.310 20 0 FEADHO Cc1cc(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)n(C2CCN(C)CC2)n1 ZINC000530712146 562421370 /nfs/dbraw/zinc/42/13/70/562421370.db2.gz XBHVSHOAAJEQEL-MRXNPFEDSA-N 1 3 362.522 2.310 20 0 FEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000530827253 562425439 /nfs/dbraw/zinc/42/54/39/562425439.db2.gz HNLVQLIXAOWAKW-SFTDATJTSA-N 1 3 370.541 2.484 20 0 FEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000530827253 562425440 /nfs/dbraw/zinc/42/54/40/562425440.db2.gz HNLVQLIXAOWAKW-SFTDATJTSA-N 1 3 370.541 2.484 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(OCc2ccccn2)cc1 ZINC000531118809 562435198 /nfs/dbraw/zinc/43/51/98/562435198.db2.gz GPIRVKLDRBNDJR-UHFFFAOYSA-N 1 3 370.497 2.226 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000531932517 562462067 /nfs/dbraw/zinc/46/20/67/562462067.db2.gz SHBHDWPIODIABE-BDXSIMOUSA-N 1 3 350.576 2.355 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000531932517 562462068 /nfs/dbraw/zinc/46/20/68/562462068.db2.gz SHBHDWPIODIABE-BDXSIMOUSA-N 1 3 350.576 2.355 20 0 FEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000531932517 562462069 /nfs/dbraw/zinc/46/20/69/562462069.db2.gz SHBHDWPIODIABE-BDXSIMOUSA-N 1 3 350.576 2.355 20 0 FEADHO CCN(CC)[C@H](CNC(=O)NCCNc1cc[nH+]cc1)c1ccsc1 ZINC000533812072 562518778 /nfs/dbraw/zinc/51/87/78/562518778.db2.gz NGMNGRRFZGZXSV-QGZVFWFLSA-N 1 3 361.515 2.359 20 0 FEADHO COCCN1CC[C@H]([NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000541537135 562614954 /nfs/dbraw/zinc/61/49/54/562614954.db2.gz KPWOXUPAHKLQFO-NRFANRHFSA-N 1 3 374.573 2.208 20 0 FEADHO COC(=O)CCNC(=O)CCN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602727094 568024124 /nfs/dbraw/zinc/02/41/24/568024124.db2.gz ZMFDRHFIYPRGTC-IEBWSBKVSA-N 1 3 373.497 2.014 20 0 FEADHO COC(=O)CCNC(=O)CCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602727094 568024126 /nfs/dbraw/zinc/02/41/26/568024126.db2.gz ZMFDRHFIYPRGTC-IEBWSBKVSA-N 1 3 373.497 2.014 20 0 FEADHO CCN(CC)[C@H](C(=O)NCCCN1CCC[N@H+](C)CC1)c1ccccc1 ZINC000603811300 568143807 /nfs/dbraw/zinc/14/38/07/568143807.db2.gz QAOVORMMORBICH-FQEVSTJZSA-N 1 3 360.546 2.213 20 0 FEADHO CCN(CC)[C@H](C(=O)NCCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000603811300 568143808 /nfs/dbraw/zinc/14/38/08/568143808.db2.gz QAOVORMMORBICH-FQEVSTJZSA-N 1 3 360.546 2.213 20 0 FEADHO CCN(CC)[C@H](C(=O)NCCC[N@@H+]1CCCN(C)CC1)c1ccccc1 ZINC000603811300 568143809 /nfs/dbraw/zinc/14/38/09/568143809.db2.gz QAOVORMMORBICH-FQEVSTJZSA-N 1 3 360.546 2.213 20 0 FEADHO CCN(CC)[C@H](C(=O)NCCC[N@H+]1CCCN(C)CC1)c1ccccc1 ZINC000603811300 568143810 /nfs/dbraw/zinc/14/38/10/568143810.db2.gz QAOVORMMORBICH-FQEVSTJZSA-N 1 3 360.546 2.213 20 0 FEADHO CC[NH+]1CCC(N2CCCN(C[C@H]3COc4ccccc4O3)CC2)CC1 ZINC000643255256 568404576 /nfs/dbraw/zinc/40/45/76/568404576.db2.gz PVRSZUZGNZIWNJ-IBGZPJMESA-N 1 3 359.514 2.318 20 0 FEADHO CC1CC[NH+](CCCC[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000736277142 599484420 /nfs/dbraw/zinc/48/44/20/599484420.db2.gz UEIUKBSPQXDTEE-UHFFFAOYSA-N 1 3 368.489 2.116 20 0 FEADHO CC1CC[NH+](CCCC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000736277142 599484423 /nfs/dbraw/zinc/48/44/23/599484423.db2.gz UEIUKBSPQXDTEE-UHFFFAOYSA-N 1 3 368.489 2.116 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810465921 674545659 /nfs/dbraw/zinc/54/56/59/674545659.db2.gz BSQXUOHVFJAANI-APWZRJJASA-N 1 3 357.514 2.158 20 0 FEADHO CN(C)CCN(Cc1ccco1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000561292582 674654289 /nfs/dbraw/zinc/65/42/89/674654289.db2.gz XWKZACKPZOJFJV-QGZVFWFLSA-N 1 3 365.543 2.387 20 0 FEADHO Cc1c(F)cccc1NC(=O)CC[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000563003416 674833713 /nfs/dbraw/zinc/83/37/13/674833713.db2.gz RXSPEAVLLGRPST-UHFFFAOYSA-N 1 3 350.482 2.078 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@H](OC)C3(C)C)CC2)CC1 ZINC000574290165 671223606 /nfs/dbraw/zinc/22/36/06/671223606.db2.gz NVUVOMUUXACZIJ-ROUUACIJSA-N 1 3 351.535 2.112 20 0 FEADHO C[C@@H]1C[N@H+](CCCNCCC(=O)Nc2cc(F)cc(F)c2)CCCO1 ZINC000575253354 671307678 /nfs/dbraw/zinc/30/76/78/671307678.db2.gz YJZGXYRZVUHLJD-CQSZACIVSA-N 1 3 355.429 2.384 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNCCC(=O)Nc2cc(F)cc(F)c2)CCCO1 ZINC000575253354 671307681 /nfs/dbraw/zinc/30/76/81/671307681.db2.gz YJZGXYRZVUHLJD-CQSZACIVSA-N 1 3 355.429 2.384 20 0 FEADHO CC1CCN(C[C@@H](O)C[NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000577492904 671599935 /nfs/dbraw/zinc/59/99/35/671599935.db2.gz PJLIEBXHFXFPJD-KRWDZBQOSA-N 1 3 353.894 2.351 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC3CCOCC3)CC2)CC1 ZINC000578204273 671648656 /nfs/dbraw/zinc/64/86/56/671648656.db2.gz NFDRDJXVLPBEFK-UHFFFAOYSA-N 1 3 351.535 2.068 20 0 FEADHO O=C(NCC[C@@H]1CCC[NH2+]C1)NCC1(N2CCSCC2)CCCC1 ZINC000578306089 671655516 /nfs/dbraw/zinc/65/55/16/671655516.db2.gz OSAMSQIHZBPLGB-INIZCTEOSA-N 1 3 354.564 2.037 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCC[C@H]3OC)CC2)CC1 ZINC000578451700 671666596 /nfs/dbraw/zinc/66/65/96/671666596.db2.gz MANVGIQOLKQBDW-PKOBYXMFSA-N 1 3 351.535 2.114 20 0 FEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000584528433 672196790 /nfs/dbraw/zinc/19/67/90/672196790.db2.gz VLXWOZREYMUKGD-MWDXBVQZSA-N 1 3 354.539 2.033 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCSC(C)(C)C)CC2)CC1 ZINC000727601603 673175918 /nfs/dbraw/zinc/17/59/18/673175918.db2.gz DKBXJZPXAUVDHY-UHFFFAOYSA-N 1 3 356.580 2.376 20 0 FEADHO CN1CCC([NH+]2CCC(NC[C@H](O)c3cc(F)ccc3F)CC2)CC1 ZINC000818986836 675249739 /nfs/dbraw/zinc/24/97/39/675249739.db2.gz BLNACWXYCAZFIP-IBGZPJMESA-N 1 3 353.457 2.146 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000617504486 676289098 /nfs/dbraw/zinc/28/90/98/676289098.db2.gz YAQMNHAKWSIQIY-GUYCJALGSA-N 1 3 353.894 2.032 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000617504486 676289101 /nfs/dbraw/zinc/28/91/01/676289101.db2.gz YAQMNHAKWSIQIY-GUYCJALGSA-N 1 3 353.894 2.032 20 0 FEADHO C[C@H]1CC[C@@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C[NH2+]1 ZINC000627022301 676735292 /nfs/dbraw/zinc/73/52/92/676735292.db2.gz CTOKBZMZHFRVGN-MWTAGDMHSA-N 1 3 362.440 2.231 20 0 FEADHO [NH3+]CCCOCCNCc1cnn(-c2ccc(Br)cc2)c1 ZINC000629398915 676853150 /nfs/dbraw/zinc/85/31/50/676853150.db2.gz JNVMTVYVHUNQCU-UHFFFAOYSA-N 1 3 353.264 2.090 20 0 FEADHO Cc1ncc([C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000632978999 677024089 /nfs/dbraw/zinc/02/40/89/677024089.db2.gz MNLRKXBOTFVEMC-CYBMUJFWSA-N 1 3 365.547 2.370 20 0 FEADHO COc1cc(F)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Cl)c1 ZINC000633614844 677057244 /nfs/dbraw/zinc/05/72/44/677057244.db2.gz UIJNKKSFFIHPPM-LBPRGKRZSA-N 1 3 359.873 2.490 20 0 FEADHO COc1cc(F)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Cl)c1 ZINC000633614844 677057245 /nfs/dbraw/zinc/05/72/45/677057245.db2.gz UIJNKKSFFIHPPM-LBPRGKRZSA-N 1 3 359.873 2.490 20 0 FEADHO CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635896359 677109618 /nfs/dbraw/zinc/10/96/18/677109618.db2.gz SUUUGQBSKNSURO-WMZOPIPTSA-N 1 3 353.551 2.048 20 0 FEADHO CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635896359 677109619 /nfs/dbraw/zinc/10/96/19/677109619.db2.gz SUUUGQBSKNSURO-WMZOPIPTSA-N 1 3 353.551 2.048 20 0 FEADHO C[NH+]1CCC(CNC(=S)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000760468277 680688840 /nfs/dbraw/zinc/68/88/40/680688840.db2.gz UWSZERMQCFOQAQ-UHFFFAOYSA-N 1 3 360.571 2.411 20 0 FEADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC/C=C/C[NH3+] ZINC000641865038 677216868 /nfs/dbraw/zinc/21/68/68/677216868.db2.gz NYYXNPGLZJCKAX-ONEGZZNKSA-N 1 3 358.408 2.294 20 0 FEADHO CNC(=O)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804165 677306166 /nfs/dbraw/zinc/30/61/66/677306166.db2.gz KOQKUJFZCVOEQZ-IJEWVQPXSA-N 1 3 357.420 2.327 20 0 FEADHO C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345784 677480369 /nfs/dbraw/zinc/48/03/69/677480369.db2.gz LXCPSHZAKBNWIM-LULLPPNCSA-N 1 3 351.535 2.290 20 0 FEADHO CCC(C)(C)N1CCN(C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000654421742 677579710 /nfs/dbraw/zinc/57/97/10/677579710.db2.gz WJHMGSXAWCCSNV-UHFFFAOYSA-N 1 3 354.539 2.003 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654658614 677594796 /nfs/dbraw/zinc/59/47/96/677594796.db2.gz SGNGALAUGYTQPZ-WOVMCDHWSA-N 1 3 350.482 2.239 20 0 FEADHO CCOC(=O)CC(C)(C)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000838855264 680722675 /nfs/dbraw/zinc/72/26/75/680722675.db2.gz SNJUYQXMXVMILM-UHFFFAOYSA-N 1 3 353.551 2.456 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662685811 678650999 /nfs/dbraw/zinc/65/09/99/678650999.db2.gz YCZMDOTXZMLFLU-OAHLLOKOSA-N 1 3 365.465 2.006 20 0 FEADHO O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)c1cc2c(s1)CCNC2 ZINC000662868454 678668549 /nfs/dbraw/zinc/66/85/49/678668549.db2.gz JGGSIZRBMRXPMJ-HOTGVXAUSA-N 1 3 359.470 2.408 20 0 FEADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2nc3c(s2)CNCC3)cc1F ZINC000663498237 678748039 /nfs/dbraw/zinc/74/80/39/678748039.db2.gz RRRLVFNNEBBREO-LRDDRELGSA-N 1 3 364.465 2.302 20 0 FEADHO COc1cccc(Cl)c1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664738278 678921188 /nfs/dbraw/zinc/92/11/88/678921188.db2.gz WPMNZBVPIBWOTJ-AWEZNQCLSA-N 1 3 370.925 2.420 20 0 FEADHO COc1cccc(Cl)c1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664738278 678921190 /nfs/dbraw/zinc/92/11/90/678921190.db2.gz WPMNZBVPIBWOTJ-AWEZNQCLSA-N 1 3 370.925 2.420 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000665762908 678982310 /nfs/dbraw/zinc/98/23/10/678982310.db2.gz TXYUALBTSXTTJR-MJBXVCDLSA-N 1 3 352.445 2.241 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000665762908 678982312 /nfs/dbraw/zinc/98/23/12/678982312.db2.gz TXYUALBTSXTTJR-MJBXVCDLSA-N 1 3 352.445 2.241 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC2(CCCC2)OC[C@@H]1C ZINC000665764093 678982993 /nfs/dbraw/zinc/98/29/93/678982993.db2.gz UHSNCXKKLSOINL-IRXDYDNUSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC2(CCCC2)OC[C@@H]1C ZINC000665764093 678982994 /nfs/dbraw/zinc/98/29/94/678982994.db2.gz UHSNCXKKLSOINL-IRXDYDNUSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(OC(F)F)nc1 ZINC000667047651 679062098 /nfs/dbraw/zinc/06/20/98/679062098.db2.gz CIWALRPUPQPUPO-LBPRGKRZSA-N 1 3 359.421 2.077 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(OC(F)F)nc1 ZINC000667047651 679062102 /nfs/dbraw/zinc/06/21/02/679062102.db2.gz CIWALRPUPQPUPO-LBPRGKRZSA-N 1 3 359.421 2.077 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000669592741 679244420 /nfs/dbraw/zinc/24/44/20/679244420.db2.gz PUFZYJPJOWZYOZ-WBVHZDCISA-N 1 3 350.532 2.453 20 0 FEADHO Cc1ncc(CN2CCC3(C[C@H]3NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC001016632726 680060010 /nfs/dbraw/zinc/06/00/10/680060010.db2.gz UBFDJXGYWUBMIQ-KBRIMQKVSA-N 1 3 362.543 2.262 20 0 FEADHO Cc1ncc(CN2CCC3(C[C@H]3NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC001016632726 680060014 /nfs/dbraw/zinc/06/00/14/680060014.db2.gz UBFDJXGYWUBMIQ-KBRIMQKVSA-N 1 3 362.543 2.262 20 0 FEADHO Cc1ncc(CN(C)C[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001017132907 680070788 /nfs/dbraw/zinc/07/07/88/680070788.db2.gz MGRWIBIEUSUTAP-QGPMSJSTSA-N 1 3 364.559 2.462 20 0 FEADHO Cc1ncc(CN(C)C[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001017132907 680070791 /nfs/dbraw/zinc/07/07/91/680070791.db2.gz MGRWIBIEUSUTAP-QGPMSJSTSA-N 1 3 364.559 2.462 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3c(C)nsc3C)C2)CC[N@@H+]1C ZINC001018872692 680084947 /nfs/dbraw/zinc/08/49/47/680084947.db2.gz GDYZIUBZZUOKNV-YQQAZPJKSA-N 1 3 350.532 2.181 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3c(C)nsc3C)C2)CC[N@H+]1C ZINC001018872692 680084952 /nfs/dbraw/zinc/08/49/52/680084952.db2.gz GDYZIUBZZUOKNV-YQQAZPJKSA-N 1 3 350.532 2.181 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC001020173727 680102646 /nfs/dbraw/zinc/10/26/46/680102646.db2.gz BQBIVCCVASEHPT-NBOOPKSLSA-N 1 3 351.441 2.432 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccc(F)cc3F)C2)CC[N@H+]1C ZINC001020173727 680102647 /nfs/dbraw/zinc/10/26/47/680102647.db2.gz BQBIVCCVASEHPT-NBOOPKSLSA-N 1 3 351.441 2.432 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNCc3cc(O)ccc3Cl)C2)CC[N@@H+]1C ZINC001026853261 680350592 /nfs/dbraw/zinc/35/05/92/680350592.db2.gz BRYIEAQGQDZMQL-JKIFEVAISA-N 1 3 365.905 2.324 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNCc3cc(O)ccc3Cl)C2)CC[N@H+]1C ZINC001026853261 680350596 /nfs/dbraw/zinc/35/05/96/680350596.db2.gz BRYIEAQGQDZMQL-JKIFEVAISA-N 1 3 365.905 2.324 20 0 FEADHO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000754464347 680358164 /nfs/dbraw/zinc/35/81/64/680358164.db2.gz JRAAVWUYENXGPF-RDJZCZTQSA-N 1 3 365.543 2.119 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3cnc(C)s3)C2)CC[N@@H+]1C ZINC001028551486 680376125 /nfs/dbraw/zinc/37/61/25/680376125.db2.gz PCMAVGISJXSRGM-BHYGNILZSA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3cnc(C)s3)C2)CC[N@H+]1C ZINC001028551486 680376132 /nfs/dbraw/zinc/37/61/32/680376132.db2.gz PCMAVGISJXSRGM-BHYGNILZSA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCCN(CCOC3CCC3)C2)CC[N@@H+]1C ZINC001034216996 680431604 /nfs/dbraw/zinc/43/16/04/680431604.db2.gz NEFDORBSKRSNFZ-NZSAHSFTSA-N 1 3 351.535 2.257 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCCN(CCOC3CCC3)C2)CC[N@H+]1C ZINC001034216996 680431605 /nfs/dbraw/zinc/43/16/05/680431605.db2.gz NEFDORBSKRSNFZ-NZSAHSFTSA-N 1 3 351.535 2.257 20 0 FEADHO Cc1csc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001034647247 680436569 /nfs/dbraw/zinc/43/65/69/680436569.db2.gz AXQSEIUJRGLMCK-KLHDSHLOSA-N 1 3 350.532 2.309 20 0 FEADHO Cc1csc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001034647247 680436571 /nfs/dbraw/zinc/43/65/71/680436571.db2.gz AXQSEIUJRGLMCK-KLHDSHLOSA-N 1 3 350.532 2.309 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)Cc3cncs3)CC2)CC[N@@H+]1C ZINC000985440146 680448539 /nfs/dbraw/zinc/44/85/39/680448539.db2.gz GGRQIKWYHVECDT-DLBZAZTESA-N 1 3 350.532 2.296 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(C)Cc3cncs3)CC2)CC[N@H+]1C ZINC000985440146 680448540 /nfs/dbraw/zinc/44/85/40/680448540.db2.gz GGRQIKWYHVECDT-DLBZAZTESA-N 1 3 350.532 2.296 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(F)nc3F)CC2)CC1 ZINC000844678133 681073808 /nfs/dbraw/zinc/07/38/08/681073808.db2.gz DKFZTXNEZQKNFJ-UHFFFAOYSA-N 1 3 353.417 2.040 20 0 FEADHO CCC(CC)CN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)O2 ZINC001053602533 681100726 /nfs/dbraw/zinc/10/07/26/681100726.db2.gz IWAXUUFTFPEEFN-KBAYOESNSA-N 1 3 351.535 2.112 20 0 FEADHO CCC(CC)CN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)O2 ZINC001053602533 681100727 /nfs/dbraw/zinc/10/07/27/681100727.db2.gz IWAXUUFTFPEEFN-KBAYOESNSA-N 1 3 351.535 2.112 20 0 FEADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846806335 681292151 /nfs/dbraw/zinc/29/21/51/681292151.db2.gz MWYIONWGAHCIBY-APWZRJJASA-N 1 3 355.523 2.165 20 0 FEADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846806335 681292153 /nfs/dbraw/zinc/29/21/53/681292153.db2.gz MWYIONWGAHCIBY-APWZRJJASA-N 1 3 355.523 2.165 20 0 FEADHO C[N@H+]1C[C@H]2CN(C(=S)NC3CCN(Cc4ccccc4)CC3)C[C@H]2C1 ZINC000782401828 682038326 /nfs/dbraw/zinc/03/83/26/682038326.db2.gz PMUUCLIETHWLAZ-HDICACEKSA-N 1 3 358.555 2.019 20 0 FEADHO C[N@@H+]1C[C@H]2CN(C(=S)NC3CCN(Cc4ccccc4)CC3)C[C@H]2C1 ZINC000782401828 682038331 /nfs/dbraw/zinc/03/83/31/682038331.db2.gz PMUUCLIETHWLAZ-HDICACEKSA-N 1 3 358.555 2.019 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2CC(CNCc3nc(C)sc3C)C2)CC[N@@H+]1C ZINC000961854385 682102919 /nfs/dbraw/zinc/10/29/19/682102919.db2.gz DSDXHJICKKXZGB-UNGSAITNSA-N 1 3 364.559 2.475 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2CC(CNCc3nc(C)sc3C)C2)CC[N@H+]1C ZINC000961854385 682102922 /nfs/dbraw/zinc/10/29/22/682102922.db2.gz DSDXHJICKKXZGB-UNGSAITNSA-N 1 3 364.559 2.475 20 0 FEADHO CCN1CC[C@H]([N@H+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C[C@H]1C ZINC000851798169 682138920 /nfs/dbraw/zinc/13/89/20/682138920.db2.gz ZSAYTTZSNOXYGD-IKGGRYGDSA-N 1 3 355.523 2.427 20 0 FEADHO CCN1CC[C@H]([N@@H+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C[C@H]1C ZINC000851798169 682138922 /nfs/dbraw/zinc/13/89/22/682138922.db2.gz ZSAYTTZSNOXYGD-IKGGRYGDSA-N 1 3 355.523 2.427 20 0 FEADHO CCC(CC)CN1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000972389906 682412827 /nfs/dbraw/zinc/41/28/27/682412827.db2.gz ZRDPRCGHYMKTSE-POAQFYNOSA-N 1 3 351.535 2.066 20 0 FEADHO CCC(CC)CN1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000972389906 682412829 /nfs/dbraw/zinc/41/28/29/682412829.db2.gz ZRDPRCGHYMKTSE-POAQFYNOSA-N 1 3 351.535 2.066 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@]1(C)CC1(Cl)Cl ZINC000854111327 682514706 /nfs/dbraw/zinc/51/47/06/682514706.db2.gz IFJJJRXCFZDHOK-JSGCOSHPSA-N 1 3 353.338 2.142 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@]1(C)CC1(Cl)Cl ZINC000854111327 682514710 /nfs/dbraw/zinc/51/47/10/682514710.db2.gz IFJJJRXCFZDHOK-JSGCOSHPSA-N 1 3 353.338 2.142 20 0 FEADHO CSC[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603910 682793984 /nfs/dbraw/zinc/79/39/84/682793984.db2.gz HAWGYCWGUPXDRS-SJLPKXTDSA-N 1 3 353.532 2.099 20 0 FEADHO CSC[C@H](O)C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603910 682793987 /nfs/dbraw/zinc/79/39/87/682793987.db2.gz HAWGYCWGUPXDRS-SJLPKXTDSA-N 1 3 353.532 2.099 20 0 FEADHO CN(C)S(=O)(=O)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000926460626 683127688 /nfs/dbraw/zinc/12/76/88/683127688.db2.gz VKSCYMOMOSRISQ-YQQQUEKLSA-N 1 3 365.543 2.053 20 0 FEADHO C[NH+]1CCC2(CCCN(Cc3cccc(NS(C)(=O)=O)c3)C2)CC1 ZINC000798956885 683408149 /nfs/dbraw/zinc/40/81/49/683408149.db2.gz GTIHYZGVQCXYIV-UHFFFAOYSA-N 1 3 351.516 2.366 20 0 FEADHO CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000863556068 683742279 /nfs/dbraw/zinc/74/22/79/683742279.db2.gz AAIYUGUZSZUDOU-DLBZAZTESA-N 1 3 355.523 2.212 20 0 FEADHO C(CN1CC[NH2+]CCN(CC[C@@H]2CCCCO2)CC1)[C@H]1CCCCO1 ZINC000923396068 684274533 /nfs/dbraw/zinc/27/45/33/684274533.db2.gz ZBPPMRVUIDUCMO-BGYRXZFFSA-N 1 3 353.551 2.112 20 0 FEADHO C[N@H+](CCCN1C(=O)N[C@H](CN2CCCCC2)C1=O)C1CCCCC1 ZINC000924475508 684453454 /nfs/dbraw/zinc/45/34/54/684453454.db2.gz CUCQQMJZZNVVOX-QGZVFWFLSA-N 1 3 350.507 2.047 20 0 FEADHO C[N@@H+](CCCN1C(=O)N[C@H](CN2CCCCC2)C1=O)C1CCCCC1 ZINC000924475508 684453458 /nfs/dbraw/zinc/45/34/58/684453458.db2.gz CUCQQMJZZNVVOX-QGZVFWFLSA-N 1 3 350.507 2.047 20 0 FEADHO CC(C)CC[NH+]1CCC(NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000924790379 684493028 /nfs/dbraw/zinc/49/30/28/684493028.db2.gz ZVFQAPDIDRXJSZ-LJQANCHMSA-N 1 3 355.592 2.294 20 0 FEADHO CC(C)CCN1CCC([NH2+]C[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000924790379 684493031 /nfs/dbraw/zinc/49/30/31/684493031.db2.gz ZVFQAPDIDRXJSZ-LJQANCHMSA-N 1 3 355.592 2.294 20 0 FEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000925639138 684575515 /nfs/dbraw/zinc/57/55/15/684575515.db2.gz KAWBBJCUPNPSMP-HZPDHXFCSA-N 1 3 351.516 2.222 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870908768 684768954 /nfs/dbraw/zinc/76/89/54/684768954.db2.gz XNPVMJRRFBQTIN-UHFFFAOYSA-N 1 3 351.441 2.387 20 0 FEADHO C[C@@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000873291565 685105890 /nfs/dbraw/zinc/10/58/90/685105890.db2.gz KIRPFJPLVQTFSC-HIFRSBDPSA-N 1 3 370.490 2.039 20 0 FEADHO COc1ccc(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(F)c1OC ZINC000885979873 688191508 /nfs/dbraw/zinc/19/15/08/688191508.db2.gz NYMXCGRDLKUTQX-HNNXBMFYSA-N 1 3 351.466 2.101 20 0 FEADHO C[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2CC2(O)CCCCC2)CC1 ZINC000887034001 688360078 /nfs/dbraw/zinc/36/00/78/688360078.db2.gz DEQHWUGAMFHLJS-GOSISDBHSA-N 1 3 351.535 2.137 20 0 FEADHO CN(CCCO)C1CC[NH+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000892045675 689144420 /nfs/dbraw/zinc/14/44/20/689144420.db2.gz ZIZFGXGVYZOSJD-IYBDPMFKSA-N 1 3 355.523 2.068 20 0 FEADHO C[NH+]1CCC(C)(CNCc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894431783 689530923 /nfs/dbraw/zinc/53/09/23/689530923.db2.gz XNYBHGKJDQQPPH-UHFFFAOYSA-N 1 3 358.939 2.455 20 0 FEADHO CN1CCN([C@H](CN[C@@H]2CC[NH2+]CC(C)(C)C2)c2cccs2)CC1 ZINC000902317653 690757263 /nfs/dbraw/zinc/75/72/63/690757263.db2.gz DYYUQWPYYCGKSS-IAGOWNOFSA-N 1 3 350.576 2.404 20 0 FEADHO Cc1ccc(C(=O)NC2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)s1 ZINC000903727168 690967291 /nfs/dbraw/zinc/96/72/91/690967291.db2.gz RKISXFAGCFDTEJ-LPHOPBHVSA-N 1 3 363.527 2.019 20 0 FEADHO Cn1cc([C@H]2CSCCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)cn1 ZINC000903830203 690976066 /nfs/dbraw/zinc/97/60/66/690976066.db2.gz WBBIQJVJZYCNHM-IAGOWNOFSA-N 1 3 350.532 2.059 20 0 FEADHO COc1cc(OC)c(OC)cc1CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000904389125 691023955 /nfs/dbraw/zinc/02/39/55/691023955.db2.gz IANJOLYPFJPLRD-OAHLLOKOSA-N 1 3 350.459 2.042 20 0 FEADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC[C@H]1CCCN1CC(F)(F)F ZINC000905567410 691142741 /nfs/dbraw/zinc/14/27/41/691142741.db2.gz ZNVCIHXFOUBKCH-SJORKVTESA-N 1 3 359.436 2.096 20 0 FEADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNC[C@H]1CCCN1CC(F)(F)F ZINC000905567410 691142743 /nfs/dbraw/zinc/14/27/43/691142743.db2.gz ZNVCIHXFOUBKCH-SJORKVTESA-N 1 3 359.436 2.096 20 0 FEADHO CN(Cc1ccc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc1)C1CC1 ZINC001164733443 720527819 /nfs/dbraw/zinc/52/78/19/720527819.db2.gz JWJSWTBZXKNTFO-KRWDZBQOSA-N 1 3 354.502 2.070 20 0 FEADHO Cn1cc(CN2CC[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)C[C@@H]3C2)cn1 ZINC001164762602 721167753 /nfs/dbraw/zinc/16/77/53/721167753.db2.gz CZOTYRJYSFAOFD-MOPGFXCFSA-N 1 3 366.513 2.374 20 0 FEADHO c1cncc(C[N@@H+]2CCC3(C2)CCN(c2ncc4c(n2)CCNC4)CC3)c1 ZINC001164955780 722014000 /nfs/dbraw/zinc/01/40/00/722014000.db2.gz ZEODAPARQRZNEZ-UHFFFAOYSA-N 1 3 364.497 2.010 20 0 FEADHO c1cncc(C[N@H+]2CCC3(C2)CCN(c2ncc4c(n2)CCNC4)CC3)c1 ZINC001164955780 722014004 /nfs/dbraw/zinc/01/40/04/722014004.db2.gz ZEODAPARQRZNEZ-UHFFFAOYSA-N 1 3 364.497 2.010 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)NCc2cccc(OCCN(C)C)c2)CC1 ZINC000043179168 540092902 /nfs/dbraw/zinc/09/29/02/540092902.db2.gz MDXCKEOTBRWAFI-UHFFFAOYSA-N 1 3 362.518 2.299 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(Cl)nc3)CC2)CC1 ZINC000051235934 540428029 /nfs/dbraw/zinc/42/80/29/540428029.db2.gz NADQZVITXSSVOM-UHFFFAOYSA-N 1 3 351.882 2.415 20 0 FEADHO CC[N@@H+](CC(=O)N1CCCN(Cc2ccccc2C)CC1)C[C@H]1CCOC1 ZINC000052072676 540453703 /nfs/dbraw/zinc/45/37/03/540453703.db2.gz DBURXMKDSXVIEW-HXUWFJFHSA-N 1 3 373.541 2.388 20 0 FEADHO CC[N@H+](CC(=O)N1CCCN(Cc2ccccc2C)CC1)C[C@H]1CCOC1 ZINC000052072676 540453704 /nfs/dbraw/zinc/45/37/04/540453704.db2.gz DBURXMKDSXVIEW-HXUWFJFHSA-N 1 3 373.541 2.388 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NC2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000053250507 540520593 /nfs/dbraw/zinc/52/05/93/540520593.db2.gz GZGDVJOXWHSZAG-LJQANCHMSA-N 1 3 360.502 2.226 20 0 FEADHO C[NH+](C)C1(CNC(=O)CCN2CCN(c3ccccc3)CC2)CCCC1 ZINC000072969610 541899758 /nfs/dbraw/zinc/89/97/58/541899758.db2.gz LMKCVZLJBBFDRU-UHFFFAOYSA-N 1 3 358.530 2.189 20 0 FEADHO CCN1CCN(CCC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000073112887 541919706 /nfs/dbraw/zinc/91/97/06/541919706.db2.gz VLNBSDCXHDCZJR-VQTJNVASSA-N 1 3 364.578 2.127 20 0 FEADHO CCN1CCN(CCC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000073112887 541919708 /nfs/dbraw/zinc/91/97/08/541919708.db2.gz VLNBSDCXHDCZJR-VQTJNVASSA-N 1 3 364.578 2.127 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000073713174 541989778 /nfs/dbraw/zinc/98/97/78/541989778.db2.gz CEXZLEYZXLDILY-LJQANCHMSA-N 1 3 362.518 2.000 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cnc(C)s1 ZINC000073868631 542009286 /nfs/dbraw/zinc/00/92/86/542009286.db2.gz MXVSVYQCLFJFEQ-OAHLLOKOSA-N 1 3 353.536 2.009 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cnc(C)s1 ZINC000073868631 542009290 /nfs/dbraw/zinc/00/92/90/542009290.db2.gz MXVSVYQCLFJFEQ-OAHLLOKOSA-N 1 3 353.536 2.009 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC(OCC[NH+](CC)CC)CC1 ZINC000074169442 542047844 /nfs/dbraw/zinc/04/78/44/542047844.db2.gz XTIVZOFMZMSPLX-GOSISDBHSA-N 1 3 368.566 2.393 20 0 FEADHO CN(C)Cc1cccc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)c1 ZINC000075158809 542155859 /nfs/dbraw/zinc/15/58/59/542155859.db2.gz BSGPLGYWIKUQFB-UHFFFAOYSA-N 1 3 372.557 2.428 20 0 FEADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000078916789 542488412 /nfs/dbraw/zinc/48/84/12/542488412.db2.gz GCGACPMQBBOBSX-OKZBNKHCSA-N 1 3 368.566 2.248 20 0 FEADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(-n2cccn2)cc1 ZINC000080590356 542595228 /nfs/dbraw/zinc/59/52/28/542595228.db2.gz OBAKJWWECUFDMY-KRWDZBQOSA-N 1 3 372.517 2.068 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc(OC2CCCCC2)c1 ZINC000092894952 542894688 /nfs/dbraw/zinc/89/46/88/542894688.db2.gz ZLHLWTBJTMXIQS-UHFFFAOYSA-N 1 3 362.518 2.359 20 0 FEADHO C[C@H](CN(C)CCC1CCN(c2cc[nH+]cc2)CC1)CS(C)(=O)=O ZINC000092821503 542889212 /nfs/dbraw/zinc/88/92/12/542889212.db2.gz NTTTVFAWJYIYDT-MRXNPFEDSA-N 1 3 353.532 2.301 20 0 FEADHO CN(Cc1ccccc1OCC(=O)NCC1CC1)CC1CC[NH+](C)CC1 ZINC000093089065 542908548 /nfs/dbraw/zinc/90/85/48/542908548.db2.gz KWICWNDOIJEOAS-UHFFFAOYSA-N 1 3 359.514 2.365 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(OC)cc1 ZINC000101602743 543036417 /nfs/dbraw/zinc/03/64/17/543036417.db2.gz AWPADFSFQZIRCU-GOSISDBHSA-N 1 3 362.518 2.253 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(OC)cc1 ZINC000101602743 543036419 /nfs/dbraw/zinc/03/64/19/543036419.db2.gz AWPADFSFQZIRCU-GOSISDBHSA-N 1 3 362.518 2.253 20 0 FEADHO COCCN(C)CCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103307091 543102777 /nfs/dbraw/zinc/10/27/77/543102777.db2.gz LBORKTUVQFIAPH-IBGZPJMESA-N 1 3 368.566 2.252 20 0 FEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000105113743 543159026 /nfs/dbraw/zinc/15/90/26/543159026.db2.gz YRUSVYYCMAYLCV-SFHVURJKSA-N 1 3 362.518 2.158 20 0 FEADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000105113743 543159029 /nfs/dbraw/zinc/15/90/29/543159029.db2.gz YRUSVYYCMAYLCV-SFHVURJKSA-N 1 3 362.518 2.158 20 0 FEADHO C[C@H](CNC(=O)N(C)C1CCN(CCc2ccncc2)CC1)[N@H+](C)C1CC1 ZINC000105269653 543167729 /nfs/dbraw/zinc/16/77/29/543167729.db2.gz VKUOKQQCUDDQRL-QGZVFWFLSA-N 1 3 373.545 2.213 20 0 FEADHO C[C@H](CNC(=O)N(C)C1CCN(CCc2ccncc2)CC1)[N@@H+](C)C1CC1 ZINC000105269653 543167732 /nfs/dbraw/zinc/16/77/32/543167732.db2.gz VKUOKQQCUDDQRL-QGZVFWFLSA-N 1 3 373.545 2.213 20 0 FEADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)Cc1ccccc1 ZINC000106518473 543232608 /nfs/dbraw/zinc/23/26/08/543232608.db2.gz JEQOFEZKGFUYSR-AZUAARDMSA-N 1 3 358.530 2.475 20 0 FEADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)Cc1ccccc1 ZINC000106518473 543232609 /nfs/dbraw/zinc/23/26/09/543232609.db2.gz JEQOFEZKGFUYSR-AZUAARDMSA-N 1 3 358.530 2.475 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000107389449 543269903 /nfs/dbraw/zinc/26/99/03/543269903.db2.gz APGVGGBINRXPOU-UHFFFAOYSA-N 1 3 361.534 2.418 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N[C@@H]1CCN(CC2CC2)C1 ZINC000108574009 543295444 /nfs/dbraw/zinc/29/54/44/543295444.db2.gz AKCREKMNJOBVCJ-LEWJYISDSA-N 1 3 370.541 2.335 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N[C@@H]1CCN(CC2CC2)C1 ZINC000108574009 543295445 /nfs/dbraw/zinc/29/54/45/543295445.db2.gz AKCREKMNJOBVCJ-LEWJYISDSA-N 1 3 370.541 2.335 20 0 FEADHO CCN(C)[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000112921870 543468934 /nfs/dbraw/zinc/46/89/34/543468934.db2.gz JPIIQKUQGSCVPV-UYAOXDASSA-N 1 3 360.546 2.069 20 0 FEADHO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C1CCN(C(C)C)CC1 ZINC000552097859 674187341 /nfs/dbraw/zinc/18/73/41/674187341.db2.gz OYYHEWFYUIKYHF-UHFFFAOYSA-N 1 3 373.950 2.389 20 0 FEADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000127998979 544026924 /nfs/dbraw/zinc/02/69/24/544026924.db2.gz FMQCFRHUTDWDAW-HOCLYGCPSA-N 1 3 372.513 2.154 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000128588209 544061055 /nfs/dbraw/zinc/06/10/55/544061055.db2.gz CCMQHYVEGVPPKK-GOSISDBHSA-N 1 3 358.530 2.492 20 0 FEADHO C[NH+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000129574970 544118779 /nfs/dbraw/zinc/11/87/79/544118779.db2.gz DEOGHWBAWYGZAQ-QGZVFWFLSA-N 1 3 358.530 2.416 20 0 FEADHO COCCN1CCC(NC(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)CC1 ZINC000129981100 544134334 /nfs/dbraw/zinc/13/43/34/544134334.db2.gz VWGCQAVEIDDGJI-HXUWFJFHSA-N 1 3 374.529 2.061 20 0 FEADHO O=C(C[C@@H]1CC[NH2+]C1)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000130905347 544170319 /nfs/dbraw/zinc/17/03/19/544170319.db2.gz VEMJRIUJOAJMOC-IBGZPJMESA-N 1 3 359.514 2.174 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)CC2)CC1 ZINC000132355558 544227939 /nfs/dbraw/zinc/22/79/39/544227939.db2.gz LGLBSHXFBXXGGO-QHAWAJNXSA-N 1 3 368.525 2.183 20 0 FEADHO CCOC(=O)[C@@H]1CCCN(C/C=C/CN2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000139096985 544400116 /nfs/dbraw/zinc/40/01/16/544400116.db2.gz LZMGIIWKEHWYHM-PJHKVULZSA-N 1 3 366.502 2.093 20 0 FEADHO CCOC(=O)[C@@H]1CCCN(C/C=C/C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000139096985 544400118 /nfs/dbraw/zinc/40/01/18/544400118.db2.gz LZMGIIWKEHWYHM-PJHKVULZSA-N 1 3 366.502 2.093 20 0 FEADHO CCOC(=O)[C@@H]1CCCN(C/C=C/C[N@H+]2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000139096985 544400120 /nfs/dbraw/zinc/40/01/20/544400120.db2.gz LZMGIIWKEHWYHM-PJHKVULZSA-N 1 3 366.502 2.093 20 0 FEADHO Cc1csc(N2CCC([NH2+]C3CCN(CCN(C)C)CC3)CC2)n1 ZINC000150956510 544490238 /nfs/dbraw/zinc/49/02/38/544490238.db2.gz RTSRLRMKOOTMKU-UHFFFAOYSA-N 1 3 351.564 2.036 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000152228256 544627886 /nfs/dbraw/zinc/62/78/86/544627886.db2.gz YOUHIFIJDSEJJB-IEBWSBKVSA-N 1 3 358.530 2.352 20 0 FEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)CC[C@@H]21 ZINC000155069514 544984034 /nfs/dbraw/zinc/98/40/34/544984034.db2.gz SWJKIJUKDFEURR-CTNGQTDRSA-N 1 3 370.541 2.141 20 0 FEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)CC[C@@H]21 ZINC000155069514 544984041 /nfs/dbraw/zinc/98/40/41/544984041.db2.gz SWJKIJUKDFEURR-CTNGQTDRSA-N 1 3 370.541 2.141 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CCC[C@@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000184963529 327892472 /nfs/dbraw/zinc/89/24/72/327892472.db2.gz XJQRNXQAEACYEO-RTWAWAEBSA-N 1 3 372.557 2.356 20 0 FEADHO CN1C(=O)CCc2cc(C[NH2+]C3CCN([C@@H]4CCCC[C@@H]4O)CC3)ccc21 ZINC000187306956 328015174 /nfs/dbraw/zinc/01/51/74/328015174.db2.gz MDRGYRHVPDXSEX-RTWAWAEBSA-N 1 3 371.525 2.453 20 0 FEADHO CC(C)CNC(=O)NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000189946936 328178025 /nfs/dbraw/zinc/17/80/25/328178025.db2.gz CBIXODPOQOYKGS-IAGOWNOFSA-N 1 3 374.529 2.214 20 0 FEADHO CC1CC[NH+](Cc2ccc(CNC(=O)CNC[C@H]3CCCO3)cc2)CC1 ZINC000236633874 328490351 /nfs/dbraw/zinc/49/03/51/328490351.db2.gz KTAAEKJEWINFFS-HXUWFJFHSA-N 1 3 359.514 2.303 20 0 FEADHO CC1CC[NH+]([C@@H](CNC(=O)CNC[C@H]2CCCO2)c2ccccc2)CC1 ZINC000236651137 328490723 /nfs/dbraw/zinc/49/07/23/328490723.db2.gz HIXGQMCPXXJKED-UXHICEINSA-N 1 3 359.514 2.344 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)C[C@@H](C)O1 ZINC000237570650 328520761 /nfs/dbraw/zinc/52/07/61/328520761.db2.gz SOTVCLXPOQPZRM-ZHALLVOQSA-N 1 3 363.546 2.114 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccccn2)CC1 ZINC000107390680 325627177 /nfs/dbraw/zinc/62/71/77/325627177.db2.gz HUUHERRNUOCZPO-UHFFFAOYSA-N 1 3 361.534 2.419 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000245640213 328562790 /nfs/dbraw/zinc/56/27/90/328562790.db2.gz XFRVWABISDYXNW-XUVXKRRUSA-N 1 3 371.525 2.415 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245917944 328579036 /nfs/dbraw/zinc/57/90/36/328579036.db2.gz QHUROSIKMXMCSZ-IPMKNSEASA-N 1 3 359.514 2.271 20 0 FEADHO C[C@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)CN1CCN(C)CC1 ZINC000120866904 326294970 /nfs/dbraw/zinc/29/49/70/326294970.db2.gz DHRAFIRKVMXORT-HXUWFJFHSA-N 1 3 358.574 2.167 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000122142032 326385498 /nfs/dbraw/zinc/38/54/98/326385498.db2.gz MOXHXTAHFPUSIY-UHFFFAOYSA-N 1 3 362.518 2.171 20 0 FEADHO CC1CCN(CCNC(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000125302966 326469274 /nfs/dbraw/zinc/46/92/74/326469274.db2.gz WQWRNLFBDTXQEX-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO CN(C)Cc1cccc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000155647181 326798281 /nfs/dbraw/zinc/79/82/81/326798281.db2.gz WNBXOIFXONNLRW-UHFFFAOYSA-N 1 3 356.470 2.014 20 0 FEADHO CC1CC[NH+](Cc2cccc(CNC(=O)CNC[C@H]3CCCO3)c2)CC1 ZINC000166421078 327082015 /nfs/dbraw/zinc/08/20/15/327082015.db2.gz VVQPEAPITUHZNZ-HXUWFJFHSA-N 1 3 359.514 2.303 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccc(C)cn2)[C@H](C)C1 ZINC000167145950 327084031 /nfs/dbraw/zinc/08/40/31/327084031.db2.gz QZDCDUHQBMMGRE-QZTJIDSGSA-N 1 3 362.518 2.445 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2ccc(C)cn2)[C@H](C)C1 ZINC000167145950 327084032 /nfs/dbraw/zinc/08/40/32/327084032.db2.gz QZDCDUHQBMMGRE-QZTJIDSGSA-N 1 3 362.518 2.445 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000168950392 327087855 /nfs/dbraw/zinc/08/78/55/327087855.db2.gz ORGHQCSKMHKFBA-IBGZPJMESA-N 1 3 351.922 2.307 20 0 FEADHO CC[N@H+](CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)C1CC1 ZINC000171336916 327133051 /nfs/dbraw/zinc/13/30/51/327133051.db2.gz TVFGZNLMLSTLEM-IAGOWNOFSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@@H+](CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)C1CC1 ZINC000171336916 327133053 /nfs/dbraw/zinc/13/30/53/327133053.db2.gz TVFGZNLMLSTLEM-IAGOWNOFSA-N 1 3 366.550 2.002 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000171613263 327148423 /nfs/dbraw/zinc/14/84/23/327148423.db2.gz CEHQXSXAEJCSMF-IBGZPJMESA-N 1 3 374.529 2.397 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171668829 327153884 /nfs/dbraw/zinc/15/38/84/327153884.db2.gz IZPLLUJIVAQMOE-IBGZPJMESA-N 1 3 374.529 2.397 20 0 FEADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000173227441 327242858 /nfs/dbraw/zinc/24/28/58/327242858.db2.gz XQQNMTHFLNPNBR-FQEVSTJZSA-N 1 3 354.498 2.307 20 0 FEADHO CCNC(=O)COc1ccc(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)cc1OC ZINC000173364944 327252189 /nfs/dbraw/zinc/25/21/89/327252189.db2.gz NOXJQJCNZBRJAQ-DOTOQJQBSA-N 1 3 363.502 2.030 20 0 FEADHO Cc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c(OCC[NH+](C)C)c1 ZINC000173475588 327259965 /nfs/dbraw/zinc/25/99/65/327259965.db2.gz CTZFDRXNYBGMRA-QGZVFWFLSA-N 1 3 358.486 2.413 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173936493 327295887 /nfs/dbraw/zinc/29/58/87/327295887.db2.gz DXIBUTCQWXLUTN-IAGOWNOFSA-N 1 3 364.538 2.324 20 0 FEADHO O[C@H](COc1ccccc1F)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173953279 327297426 /nfs/dbraw/zinc/29/74/26/327297426.db2.gz WKXZODRLWHHUHR-KRWDZBQOSA-N 1 3 366.477 2.142 20 0 FEADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174010566 327301274 /nfs/dbraw/zinc/30/12/74/327301274.db2.gz HYBVLKBUQZNQGK-PMACEKPBSA-N 1 3 354.498 2.307 20 0 FEADHO CCN1CCC[C@H]1CNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000174705196 327344641 /nfs/dbraw/zinc/34/46/41/327344641.db2.gz ZBWXUCGVUXNYEB-SFHVURJKSA-N 1 3 362.518 2.301 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cnn(CC(F)F)c1 ZINC000174838791 327354536 /nfs/dbraw/zinc/35/45/36/327354536.db2.gz NLXSIZUHKHHPNU-OAHLLOKOSA-N 1 3 372.464 2.028 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cnn(CC(F)F)c1 ZINC000174838791 327354538 /nfs/dbraw/zinc/35/45/38/327354538.db2.gz NLXSIZUHKHHPNU-OAHLLOKOSA-N 1 3 372.464 2.028 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000262308007 328858123 /nfs/dbraw/zinc/85/81/23/328858123.db2.gz OSBRRNJUXXUIRK-FUUYNRHESA-N 1 3 373.541 2.439 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000262623457 328877072 /nfs/dbraw/zinc/87/70/72/328877072.db2.gz AFPQNNPBLKHPKD-MOPGFXCFSA-N 1 3 358.530 2.141 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000265535812 329136819 /nfs/dbraw/zinc/13/68/19/329136819.db2.gz JYNDUVNZAMPSSB-HXUWFJFHSA-N 1 3 374.529 2.192 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[N@H+](CCOC)C1)c1ccsc1 ZINC000265614799 329143235 /nfs/dbraw/zinc/14/32/35/329143235.db2.gz ORBHBVSUAZGPGL-IRXDYDNUSA-N 1 3 368.547 2.151 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CCOC)C1)c1ccsc1 ZINC000265614799 329143237 /nfs/dbraw/zinc/14/32/37/329143237.db2.gz ORBHBVSUAZGPGL-IRXDYDNUSA-N 1 3 368.547 2.151 20 0 FEADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267274143 329309646 /nfs/dbraw/zinc/30/96/46/329309646.db2.gz SYAAWRPFVPIDAS-UNMCSNQZSA-N 1 3 374.573 2.066 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000268114403 329386433 /nfs/dbraw/zinc/38/64/33/329386433.db2.gz JXBAKOJUCSOQKS-SLYNCCJLSA-N 1 3 370.541 2.333 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000268114403 329386435 /nfs/dbraw/zinc/38/64/35/329386435.db2.gz JXBAKOJUCSOQKS-SLYNCCJLSA-N 1 3 370.541 2.333 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000268124423 329387850 /nfs/dbraw/zinc/38/78/50/329387850.db2.gz MMYCEOBXQWFEMT-UWJYYQICSA-N 1 3 370.541 2.475 20 0 FEADHO CN(C)Cc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000268974437 329474044 /nfs/dbraw/zinc/47/40/44/329474044.db2.gz PKRFSPZESOVSJA-RBUKOAKNSA-N 1 3 360.502 2.248 20 0 FEADHO CS[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1N(C)C ZINC000270533052 329608228 /nfs/dbraw/zinc/60/82/28/329608228.db2.gz VWFWQMDBHHXMNS-MOPGFXCFSA-N 1 3 361.555 2.403 20 0 FEADHO CC(C)[C@@H](CCO)[NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000274139702 329919276 /nfs/dbraw/zinc/91/92/76/329919276.db2.gz ZHKAVQVFZBLJCC-FXAWDEMLSA-N 1 3 361.530 2.152 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000275174354 330018478 /nfs/dbraw/zinc/01/84/78/330018478.db2.gz CMSPRZXGSNVDQA-HOJAQTOUSA-N 1 3 358.530 2.490 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000275702828 330079424 /nfs/dbraw/zinc/07/94/24/330079424.db2.gz SUKXORVCKRLOJM-UXHICEINSA-N 1 3 374.529 2.290 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000275719771 330081291 /nfs/dbraw/zinc/08/12/91/330081291.db2.gz SHPYJAXPNJGIIJ-KRWDZBQOSA-N 1 3 374.529 2.110 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000275719771 330081292 /nfs/dbraw/zinc/08/12/92/330081292.db2.gz SHPYJAXPNJGIIJ-KRWDZBQOSA-N 1 3 374.529 2.110 20 0 FEADHO Cc1cn2cc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)ccc2n1 ZINC000275838785 330095099 /nfs/dbraw/zinc/09/50/99/330095099.db2.gz ZUHKDMMKWZFHKF-UHFFFAOYSA-N 1 3 370.501 2.323 20 0 FEADHO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)[C@H](c1ccccc1)N(C)C ZINC000276564428 330165191 /nfs/dbraw/zinc/16/51/91/330165191.db2.gz HRGIZXNSFVFYSK-PWIZWCRZSA-N 1 3 359.514 2.437 20 0 FEADHO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)[C@H](c1ccccc1)N(C)C ZINC000276564428 330165193 /nfs/dbraw/zinc/16/51/93/330165193.db2.gz HRGIZXNSFVFYSK-PWIZWCRZSA-N 1 3 359.514 2.437 20 0 FEADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000361405920 330202609 /nfs/dbraw/zinc/20/26/09/330202609.db2.gz SCKCNULILLWDRO-PMACEKPBSA-N 1 3 371.525 2.134 20 0 FEADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000361405920 330202611 /nfs/dbraw/zinc/20/26/11/330202611.db2.gz SCKCNULILLWDRO-PMACEKPBSA-N 1 3 371.525 2.134 20 0 FEADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000361405923 330202781 /nfs/dbraw/zinc/20/27/81/330202781.db2.gz SCKCNULILLWDRO-WOJBJXKFSA-N 1 3 371.525 2.134 20 0 FEADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000361405923 330202782 /nfs/dbraw/zinc/20/27/82/330202782.db2.gz SCKCNULILLWDRO-WOJBJXKFSA-N 1 3 371.525 2.134 20 0 FEADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](c2n[nH]cc2CN2CCCC2)C1 ZINC000367269516 330238822 /nfs/dbraw/zinc/23/88/22/330238822.db2.gz IAJMWPGLBLXOFX-MJGOQNOKSA-N 1 3 371.529 2.053 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@H](C[NH3+])C(C)C)CC2)c1 ZINC000433166041 330274186 /nfs/dbraw/zinc/27/41/86/330274186.db2.gz WQSFTHPPCQZYKY-FQEVSTJZSA-N 1 3 360.546 2.244 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000155665821 545556208 /nfs/dbraw/zinc/55/62/08/545556208.db2.gz IESNRUPYJKGZAF-ZWKOTPCHSA-N 1 3 358.530 2.490 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)Nc2ccn(CC[NH+](C)C)n2)N(C)C)cc1 ZINC000156232141 545610530 /nfs/dbraw/zinc/61/05/30/545610530.db2.gz SBRWPPYBTJPXIG-QGZVFWFLSA-N 1 3 358.490 2.178 20 0 FEADHO COCCCN(C)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000158028288 545814907 /nfs/dbraw/zinc/81/49/07/545814907.db2.gz GHAUYSXWFVXHPK-UHFFFAOYSA-N 1 3 361.530 2.373 20 0 FEADHO COCCOc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCC(C)CC2)cc1 ZINC000158901696 545904711 /nfs/dbraw/zinc/90/47/11/545904711.db2.gz CVQFSIHBBDIJKE-HKUYNNGSSA-N 1 3 350.503 2.455 20 0 FEADHO CCNC(=O)COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1OC ZINC000159222414 545932967 /nfs/dbraw/zinc/93/29/67/545932967.db2.gz DJBHXKVYURMCHS-YQQAZPJKSA-N 1 3 363.502 2.028 20 0 FEADHO COc1cnccc1N1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000478437178 561166841 /nfs/dbraw/zinc/16/68/41/561166841.db2.gz SXDQWFIHUAVISD-UHFFFAOYSA-N 1 3 360.502 2.251 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000479292289 561186620 /nfs/dbraw/zinc/18/66/20/561186620.db2.gz AVIZNJINCSCYRQ-UHFFFAOYSA-N 1 3 370.541 2.191 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C(C)C)N2CCOCC2)[C@H](C)C1 ZINC000480266802 561205989 /nfs/dbraw/zinc/20/59/89/561205989.db2.gz PKIGXNZVWPVEJU-HSALFYBXSA-N 1 3 355.567 2.070 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C(C)C)N2CCOCC2)[C@H](C)C1 ZINC000480266802 561205990 /nfs/dbraw/zinc/20/59/90/561205990.db2.gz PKIGXNZVWPVEJU-HSALFYBXSA-N 1 3 355.567 2.070 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2)CC1 ZINC000177049659 546532162 /nfs/dbraw/zinc/53/21/62/546532162.db2.gz CUZWTXBIZDBGDT-SJLPKXTDSA-N 1 3 356.514 2.184 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc2)CC1 ZINC000177049659 546532167 /nfs/dbraw/zinc/53/21/67/546532167.db2.gz CUZWTXBIZDBGDT-SJLPKXTDSA-N 1 3 356.514 2.184 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)c1 ZINC000177094415 546544041 /nfs/dbraw/zinc/54/40/41/546544041.db2.gz DEKAZZYHCSXDEQ-RTBURBONSA-N 1 3 370.541 2.249 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)CC2)c1 ZINC000177094415 546544043 /nfs/dbraw/zinc/54/40/43/546544043.db2.gz DEKAZZYHCSXDEQ-RTBURBONSA-N 1 3 370.541 2.249 20 0 FEADHO CN(C)[C@@]1(CNC(=O)NCCC[N@H+](C)C2CCCCC2)CCSC1 ZINC000481024623 561223078 /nfs/dbraw/zinc/22/30/78/561223078.db2.gz LMNNSRMTANEKRV-GOSISDBHSA-N 1 3 356.580 2.378 20 0 FEADHO CN(C)[C@@]1(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)CCSC1 ZINC000481024623 561223079 /nfs/dbraw/zinc/22/30/79/561223079.db2.gz LMNNSRMTANEKRV-GOSISDBHSA-N 1 3 356.580 2.378 20 0 FEADHO O=C(NC[C@@H]1CCC[NH2+]1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000178769714 546846966 /nfs/dbraw/zinc/84/69/66/546846966.db2.gz SWUGOTSAPNPJDU-RDJZCZTQSA-N 1 3 355.404 2.309 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000179170446 546910326 /nfs/dbraw/zinc/91/03/26/546910326.db2.gz MYWNZHQEFDXVAS-PMACEKPBSA-N 1 3 374.529 2.232 20 0 FEADHO C[C@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)N1CCCC[C@H]1C ZINC000483717311 561282656 /nfs/dbraw/zinc/28/26/56/561282656.db2.gz WQEZSCXAXHZBOC-QZTJIDSGSA-N 1 3 368.566 2.392 20 0 FEADHO C[C@@H](CC[NH+](C)C)NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000483782743 561284038 /nfs/dbraw/zinc/28/40/38/561284038.db2.gz IJFNBXANOQGAMG-INIZCTEOSA-N 1 3 356.580 2.378 20 0 FEADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000182807723 547555168 /nfs/dbraw/zinc/55/51/68/547555168.db2.gz FWQNCVYYIKFZMS-RTBURBONSA-N 1 3 368.543 2.463 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000183242670 547626033 /nfs/dbraw/zinc/62/60/33/547626033.db2.gz UWTJHLFKFXFBDC-HKUYNNGSSA-N 1 3 372.513 2.111 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccn1 ZINC000183242670 547626035 /nfs/dbraw/zinc/62/60/35/547626035.db2.gz UWTJHLFKFXFBDC-HKUYNNGSSA-N 1 3 372.513 2.111 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC000184746788 547874222 /nfs/dbraw/zinc/87/42/22/547874222.db2.gz LXSFPNORUHUBFT-HZPDHXFCSA-N 1 3 374.529 2.357 20 0 FEADHO C[C@]1(C(N)=O)CCCCN1CCCCCC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185890175 548053076 /nfs/dbraw/zinc/05/30/76/548053076.db2.gz GLLYBAFUBOZPLA-BGYRXZFFSA-N 1 3 366.550 2.007 20 0 FEADHO C[C@]1(C(N)=O)CCCCN1CCCCCC[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185890175 548053079 /nfs/dbraw/zinc/05/30/79/548053079.db2.gz GLLYBAFUBOZPLA-BGYRXZFFSA-N 1 3 366.550 2.007 20 0 FEADHO C[C@]1(C(N)=O)CCCC[N@H+]1CCCCCCN1CCCC[C@@]1(C)C(N)=O ZINC000185890175 548053085 /nfs/dbraw/zinc/05/30/85/548053085.db2.gz GLLYBAFUBOZPLA-BGYRXZFFSA-N 1 3 366.550 2.007 20 0 FEADHO C[C@]1(C(N)=O)CCCC[N@@H+]1CCCCCCN1CCCC[C@@]1(C)C(N)=O ZINC000185890175 548053087 /nfs/dbraw/zinc/05/30/87/548053087.db2.gz GLLYBAFUBOZPLA-BGYRXZFFSA-N 1 3 366.550 2.007 20 0 FEADHO O=C(NCc1ccccc1CN1CCCCC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485788048 561328059 /nfs/dbraw/zinc/32/80/59/561328059.db2.gz UNQCLZHEFQQZNW-KRWDZBQOSA-N 1 3 367.497 2.403 20 0 FEADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000486663253 561353827 /nfs/dbraw/zinc/35/38/27/561353827.db2.gz HRFJDRDEKZSGDF-IEBWSBKVSA-N 1 3 372.513 2.197 20 0 FEADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000486663253 561353828 /nfs/dbraw/zinc/35/38/28/561353828.db2.gz HRFJDRDEKZSGDF-IEBWSBKVSA-N 1 3 372.513 2.197 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)NC[C@@H]2CCCN2C)cc1 ZINC000195127263 548581565 /nfs/dbraw/zinc/58/15/65/548581565.db2.gz ZHOPREYSLLLZQN-SFHVURJKSA-N 1 3 362.518 2.301 20 0 FEADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CN2CCN1CCC2 ZINC000487558849 561371882 /nfs/dbraw/zinc/37/18/82/561371882.db2.gz PHGVCXSDMNHQQB-OAQYLSRUSA-N 1 3 370.541 2.069 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cc1)[C@@H]1CCCN(C)C1 ZINC000237181873 548805865 /nfs/dbraw/zinc/80/58/65/548805865.db2.gz DOLZCSVTXQJXET-NQIIRXRSSA-N 1 3 372.513 2.181 20 0 FEADHO C[NH2+]C[C@H](C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000237309444 548817766 /nfs/dbraw/zinc/81/77/66/548817766.db2.gz CKTSXMJVQCEGKA-AWEZNQCLSA-N 1 3 353.894 2.155 20 0 FEADHO C[C@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)[C@H]1C[NH3+] ZINC000237615823 548839438 /nfs/dbraw/zinc/83/94/38/548839438.db2.gz FEGPFFUZHCLUBA-ICSRJNTNSA-N 1 3 358.530 2.175 20 0 FEADHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000237755267 548849680 /nfs/dbraw/zinc/84/96/80/548849680.db2.gz IIUIOVMGTZQROL-KRWDZBQOSA-N 1 3 351.878 2.051 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000245444401 548922903 /nfs/dbraw/zinc/92/29/03/548922903.db2.gz XZKXIIHSPOVVPX-YLJYHZDGSA-N 1 3 358.530 2.241 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000245444401 548922908 /nfs/dbraw/zinc/92/29/08/548922908.db2.gz XZKXIIHSPOVVPX-YLJYHZDGSA-N 1 3 358.530 2.241 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@]3(CCN(C)C3)C2)C1 ZINC000488076345 561382961 /nfs/dbraw/zinc/38/29/61/561382961.db2.gz PVNWRCJYFJKFNI-HLIPFELVSA-N 1 3 350.551 2.480 20 0 FEADHO CCN1CCCC[C@@H]1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000245881499 549009282 /nfs/dbraw/zinc/00/92/82/549009282.db2.gz BHQZJBYRVICHRP-RTWAWAEBSA-N 1 3 372.557 2.356 20 0 FEADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000245881499 549009287 /nfs/dbraw/zinc/00/92/87/549009287.db2.gz BHQZJBYRVICHRP-RTWAWAEBSA-N 1 3 372.557 2.356 20 0 FEADHO CC[N@H+]1CCCC[C@@H]1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000245881499 549009291 /nfs/dbraw/zinc/00/92/91/549009291.db2.gz BHQZJBYRVICHRP-RTWAWAEBSA-N 1 3 372.557 2.356 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000246376112 549118377 /nfs/dbraw/zinc/11/83/77/549118377.db2.gz JRKQZXSFEJMFIB-VQIMIIECSA-N 1 3 359.518 2.280 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000246376112 549118381 /nfs/dbraw/zinc/11/83/81/549118381.db2.gz JRKQZXSFEJMFIB-VQIMIIECSA-N 1 3 359.518 2.280 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000246535305 549156475 /nfs/dbraw/zinc/15/64/75/549156475.db2.gz WAIALEPTDRUGMC-RBUKOAKNSA-N 1 3 368.566 2.107 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000246535305 549156479 /nfs/dbraw/zinc/15/64/79/549156479.db2.gz WAIALEPTDRUGMC-RBUKOAKNSA-N 1 3 368.566 2.107 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000247302428 549313815 /nfs/dbraw/zinc/31/38/15/549313815.db2.gz UURXVXFOYKGVHG-UYAOXDASSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000247302428 549313819 /nfs/dbraw/zinc/31/38/19/549313819.db2.gz UURXVXFOYKGVHG-UYAOXDASSA-N 1 3 374.529 2.253 20 0 FEADHO C[N@@H+]1CCC[C@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)CC[C@H]21 ZINC000248165431 549413021 /nfs/dbraw/zinc/41/30/21/549413021.db2.gz SWJKIJUKDFEURR-PZJWPPBQSA-N 1 3 370.541 2.141 20 0 FEADHO C[N@H+]1CCC[C@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)CC[C@H]21 ZINC000248165431 549413025 /nfs/dbraw/zinc/41/30/25/549413025.db2.gz SWJKIJUKDFEURR-PZJWPPBQSA-N 1 3 370.541 2.141 20 0 FEADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccn[nH]1 ZINC000248394253 549427081 /nfs/dbraw/zinc/42/70/81/549427081.db2.gz FJZVCSITAVZZPH-GBESFXJTSA-N 1 3 367.497 2.030 20 0 FEADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccn[nH]1 ZINC000248394253 549427086 /nfs/dbraw/zinc/42/70/86/549427086.db2.gz FJZVCSITAVZZPH-GBESFXJTSA-N 1 3 367.497 2.030 20 0 FEADHO C(N1CC[C@H]2OCCC[C@H]2C1)C1(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)COC1 ZINC000248423802 549433910 /nfs/dbraw/zinc/43/39/10/549433910.db2.gz NEQZIEAUCPQTQV-LWYYNNOASA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CC[C@H]2OCCC[C@H]2C1)C1(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)COC1 ZINC000248423802 549433913 /nfs/dbraw/zinc/43/39/13/549433913.db2.gz NEQZIEAUCPQTQV-LWYYNNOASA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CC[C@@H]2OCCC[C@H]2C1)C1(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)COC1 ZINC000248423802 549433916 /nfs/dbraw/zinc/43/39/16/549433916.db2.gz NEQZIEAUCPQTQV-LWYYNNOASA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CC[C@@H]2OCCC[C@H]2C1)C1(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)COC1 ZINC000248423802 549433920 /nfs/dbraw/zinc/43/39/20/549433920.db2.gz NEQZIEAUCPQTQV-LWYYNNOASA-N 1 3 364.530 2.005 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000489558361 561414149 /nfs/dbraw/zinc/41/41/49/561414149.db2.gz WPFGLDSLRUBFOZ-POAQFYNOSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000489558361 561414150 /nfs/dbraw/zinc/41/41/50/561414150.db2.gz WPFGLDSLRUBFOZ-POAQFYNOSA-N 1 3 356.514 2.433 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@]2(N)C[C@@H](OCC)C2(C)C)CC1 ZINC000249125477 549556991 /nfs/dbraw/zinc/55/69/91/549556991.db2.gz QQMVNCIJTXZDGJ-XLIONFOSSA-N 1 3 353.551 2.489 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@]2(N)C[C@@H](OCC)C2(C)C)CC1 ZINC000249125477 549556995 /nfs/dbraw/zinc/55/69/95/549556995.db2.gz QQMVNCIJTXZDGJ-XLIONFOSSA-N 1 3 353.551 2.489 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000489751102 561418341 /nfs/dbraw/zinc/41/83/41/561418341.db2.gz KHPBQNHSWYCVFC-FCGDIQPGSA-N 1 3 350.551 2.479 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000489751102 561418342 /nfs/dbraw/zinc/41/83/42/561418342.db2.gz KHPBQNHSWYCVFC-FCGDIQPGSA-N 1 3 350.551 2.479 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000252442051 549664413 /nfs/dbraw/zinc/66/44/13/549664413.db2.gz GDCBVGIGEJQYRE-GUDVDZBRSA-N 1 3 368.566 2.155 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)N2CCCC2)cc1 ZINC000253356500 549683585 /nfs/dbraw/zinc/68/35/85/549683585.db2.gz RMYXZSPAQUAJJJ-IEBWSBKVSA-N 1 3 360.502 2.226 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2C)N2CCCC2)cc1 ZINC000253356500 549683591 /nfs/dbraw/zinc/68/35/91/549683591.db2.gz RMYXZSPAQUAJJJ-IEBWSBKVSA-N 1 3 360.502 2.226 20 0 FEADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C1CCOCC1 ZINC000261728975 549748970 /nfs/dbraw/zinc/74/89/70/549748970.db2.gz JUMJOJZXVUHZAR-ICSRJNTNSA-N 1 3 359.514 2.111 20 0 FEADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C1CCOCC1 ZINC000261728975 549748973 /nfs/dbraw/zinc/74/89/73/549748973.db2.gz JUMJOJZXVUHZAR-ICSRJNTNSA-N 1 3 359.514 2.111 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000262179969 549796470 /nfs/dbraw/zinc/79/64/70/549796470.db2.gz BLIFJGZZIDJEIC-ZVBHREPYSA-N 1 3 359.514 2.397 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1)[C@H]1CCCN(C)C1 ZINC000262273901 549804623 /nfs/dbraw/zinc/80/46/23/549804623.db2.gz JCERUOKMDVZNIM-SCTDSRPQSA-N 1 3 372.513 2.309 20 0 FEADHO C[C@H]1C[C@@H](C(=O)N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)CC[NH2+]1 ZINC000262423418 549818877 /nfs/dbraw/zinc/81/88/77/549818877.db2.gz QSTYVIPUUFCOBB-YYWHXJBOSA-N 1 3 373.541 2.279 20 0 FEADHO COCC1(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[NH2+]CC1 ZINC000262445314 549820423 /nfs/dbraw/zinc/82/04/23/549820423.db2.gz YPTRRWVLKKOMSM-IBGZPJMESA-N 1 3 359.514 2.174 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])CC2)C[C@H](C)O1 ZINC000263171260 549883448 /nfs/dbraw/zinc/88/34/48/549883448.db2.gz FSKBUKNPLTYKLF-WBQJQJEBSA-N 1 3 351.535 2.242 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)CC[NH+](C)C ZINC000263694478 549920947 /nfs/dbraw/zinc/92/09/47/549920947.db2.gz HFODHIGGAWZMCG-MJGOQNOKSA-N 1 3 361.534 2.418 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC[NH+](CC)CC ZINC000263714337 549924700 /nfs/dbraw/zinc/92/47/00/549924700.db2.gz OZTVBUSAXMOWDA-LJQANCHMSA-N 1 3 361.534 2.419 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(F)c(F)c3)CC2)CC1 ZINC000263741074 549929610 /nfs/dbraw/zinc/92/96/10/549929610.db2.gz OMBGTNDUGKKCBS-UHFFFAOYSA-N 1 3 366.456 2.323 20 0 FEADHO [NH3+]CCC(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000269310278 550179343 /nfs/dbraw/zinc/17/93/43/550179343.db2.gz WGWANYZVELBWJU-UHFFFAOYSA-N 1 3 372.435 2.073 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)Cc1ccncc1 ZINC000493037243 561454193 /nfs/dbraw/zinc/45/41/93/561454193.db2.gz XSOCHLKQGRDGFO-MJGOQNOKSA-N 1 3 361.534 2.070 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)Cc1ccncc1 ZINC000493037243 561454194 /nfs/dbraw/zinc/45/41/94/561454194.db2.gz XSOCHLKQGRDGFO-MJGOQNOKSA-N 1 3 361.534 2.070 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000493833106 561458369 /nfs/dbraw/zinc/45/83/69/561458369.db2.gz BRUIIUZMBVBUGZ-IBGZPJMESA-N 1 3 362.518 2.472 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000493833106 561458370 /nfs/dbraw/zinc/45/83/70/561458370.db2.gz BRUIIUZMBVBUGZ-IBGZPJMESA-N 1 3 362.518 2.472 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NCC3=CC[N@H+](C)CC3)cc2)CC1 ZINC000272024337 550417061 /nfs/dbraw/zinc/41/70/61/550417061.db2.gz VPUBDVDVLHLZDH-UHFFFAOYSA-N 1 3 356.514 2.209 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NCC3=CC[N@@H+](C)CC3)cc2)CC1 ZINC000272024337 550417064 /nfs/dbraw/zinc/41/70/64/550417064.db2.gz VPUBDVDVLHLZDH-UHFFFAOYSA-N 1 3 356.514 2.209 20 0 FEADHO CN(CCNC(=O)C1CC[NH+](C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000494540735 561471369 /nfs/dbraw/zinc/47/13/69/561471369.db2.gz DVONGACUQXBXGB-HXUWFJFHSA-N 1 3 359.514 2.126 20 0 FEADHO CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000277553188 550683522 /nfs/dbraw/zinc/68/35/22/550683522.db2.gz VPELCLFVOSITAV-HXUWFJFHSA-N 1 3 374.529 2.015 20 0 FEADHO CC[N@H+]1CCCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000277553188 550683524 /nfs/dbraw/zinc/68/35/24/550683524.db2.gz VPELCLFVOSITAV-HXUWFJFHSA-N 1 3 374.529 2.015 20 0 FEADHO CCOC1CC(O)(C[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000277795591 550715096 /nfs/dbraw/zinc/71/50/96/550715096.db2.gz WSYQESUGGIOCPW-UHFFFAOYSA-N 1 3 361.530 2.237 20 0 FEADHO O=C(NCC1CC[NH+](C2CC2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000277892611 550726354 /nfs/dbraw/zinc/72/63/54/550726354.db2.gz WZAHLXAGAXPHCT-IBGZPJMESA-N 1 3 356.514 2.435 20 0 FEADHO C[NH+](C)CC1CCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC1 ZINC000495056971 561481818 /nfs/dbraw/zinc/48/18/18/561481818.db2.gz UCNDQVAZEGNIJU-UHFFFAOYSA-N 1 3 373.541 2.305 20 0 FEADHO CCN1CCN(Cc2ccc(NC(=O)C34CCC[NH+]3CCC4)cc2)CC1 ZINC000278845433 550828323 /nfs/dbraw/zinc/82/83/23/550828323.db2.gz KVOYBVNOHZPCAF-UHFFFAOYSA-N 1 3 356.514 2.391 20 0 FEADHO CC[C@@]1(O)CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000495232566 561485178 /nfs/dbraw/zinc/48/51/78/561485178.db2.gz MAUBZZZMTLSBIO-DYESRHJHSA-N 1 3 359.514 2.003 20 0 FEADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000279213305 550865410 /nfs/dbraw/zinc/86/54/10/550865410.db2.gz ODRVUFPFHGFVJG-RXVVDRJESA-N 1 3 372.557 2.171 20 0 FEADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000279213305 550865412 /nfs/dbraw/zinc/86/54/12/550865412.db2.gz ODRVUFPFHGFVJG-RXVVDRJESA-N 1 3 372.557 2.171 20 0 FEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282357614 551216772 /nfs/dbraw/zinc/21/67/72/551216772.db2.gz PNQRVKWADLGUJA-AWEZNQCLSA-N 1 3 367.925 2.068 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4cc(F)ccc43)CC2)CC1 ZINC000283647012 551402514 /nfs/dbraw/zinc/40/25/14/551402514.db2.gz JFFKLRZDRJJWET-UHFFFAOYSA-N 1 3 360.477 2.456 20 0 FEADHO CCC[NH+]1CCC(NC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)CC1 ZINC000498108680 561516230 /nfs/dbraw/zinc/51/62/30/561516230.db2.gz QECSEVRMCXGVCH-LJQANCHMSA-N 1 3 362.518 2.472 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CO[C@H]1CCCC[C@H]1C ZINC000498167663 561517542 /nfs/dbraw/zinc/51/75/42/561517542.db2.gz VPLHATYOCDLBMO-QRVBRYPASA-N 1 3 353.551 2.456 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CO[C@H]1CCCC[C@H]1C ZINC000498167663 561517543 /nfs/dbraw/zinc/51/75/43/561517543.db2.gz VPLHATYOCDLBMO-QRVBRYPASA-N 1 3 353.551 2.456 20 0 FEADHO CN1CC[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3C(F)(F)F)[C@@H]2C1 ZINC000498440145 561524637 /nfs/dbraw/zinc/52/46/37/561524637.db2.gz GIIZINWJPQRYPL-GBJTYRQASA-N 1 3 361.452 2.448 20 0 FEADHO CN1CC[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3C(F)(F)F)[C@@H]2C1 ZINC000498440145 561524638 /nfs/dbraw/zinc/52/46/38/561524638.db2.gz GIIZINWJPQRYPL-GBJTYRQASA-N 1 3 361.452 2.448 20 0 FEADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000285769263 551807810 /nfs/dbraw/zinc/80/78/10/551807810.db2.gz SROGSSMKYRUWMS-SFHVURJKSA-N 1 3 369.513 2.019 20 0 FEADHO CN(C)C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(F)cc1 ZINC000287611601 552025136 /nfs/dbraw/zinc/02/51/36/552025136.db2.gz MGGVKTPJVLHOCM-FUHWJXTLSA-N 1 3 368.522 2.165 20 0 FEADHO CCC[NH+]1CCC(NC[C@@](C)(O)Cc2ccc(OC)c(OC)c2)CC1 ZINC000290041320 552418699 /nfs/dbraw/zinc/41/86/99/552418699.db2.gz DLPURBJGEIKPLD-FQEVSTJZSA-N 1 3 350.503 2.461 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290170239 552437716 /nfs/dbraw/zinc/43/77/16/552437716.db2.gz OSVYDZWJAWZTRG-HXUWFJFHSA-N 1 3 370.541 2.047 20 0 FEADHO COCCOCc1ccc(CNCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000290181345 552439541 /nfs/dbraw/zinc/43/95/41/552439541.db2.gz RWBGLPPPXVETTA-UHFFFAOYSA-N 1 3 373.497 2.475 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000501050398 561588607 /nfs/dbraw/zinc/58/86/07/561588607.db2.gz BKZZOWHPXAWEBC-GOSISDBHSA-N 1 3 353.551 2.456 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000501050398 561588608 /nfs/dbraw/zinc/58/86/08/561588608.db2.gz BKZZOWHPXAWEBC-GOSISDBHSA-N 1 3 353.551 2.456 20 0 FEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000292067939 552690221 /nfs/dbraw/zinc/69/02/21/552690221.db2.gz KSKSFEDPDOLBCE-QGZVFWFLSA-N 1 3 361.530 2.349 20 0 FEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000292067939 552690222 /nfs/dbraw/zinc/69/02/22/552690222.db2.gz KSKSFEDPDOLBCE-QGZVFWFLSA-N 1 3 361.530 2.349 20 0 FEADHO CCOC(=O)[C@@](C)(O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293237313 552802209 /nfs/dbraw/zinc/80/22/09/552802209.db2.gz HOAGUSASOXAFKN-FQEVSTJZSA-N 1 3 360.498 2.289 20 0 FEADHO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000293520688 552831804 /nfs/dbraw/zinc/83/18/04/552831804.db2.gz CZTFNLDJWROMSI-WMZOPIPTSA-N 1 3 351.516 2.243 20 0 FEADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000294025408 552876233 /nfs/dbraw/zinc/87/62/33/552876233.db2.gz GXKQFECXJMYIST-UYAOXDASSA-N 1 3 358.530 2.080 20 0 FEADHO c1cc(N2CCC([NH2+]Cc3ccc(N4CCOCC4)nc3)CC2)ccn1 ZINC000294243226 552890738 /nfs/dbraw/zinc/89/07/38/552890738.db2.gz PIFXIKRKQPOYTO-UHFFFAOYSA-N 1 3 353.470 2.072 20 0 FEADHO C[C@@H](OCCc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000294774374 552933421 /nfs/dbraw/zinc/93/34/21/552933421.db2.gz RILAHLDYCWOAFN-GOSISDBHSA-N 1 3 373.541 2.309 20 0 FEADHO CCN1CC[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000502583555 561621446 /nfs/dbraw/zinc/62/14/46/561621446.db2.gz BMTNGJCNVRSURQ-QHAWAJNXSA-N 1 3 371.525 2.220 20 0 FEADHO CCN1CC[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000502583555 561621447 /nfs/dbraw/zinc/62/14/47/561621447.db2.gz BMTNGJCNVRSURQ-QHAWAJNXSA-N 1 3 371.525 2.220 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@H](C)[NH2+]C3CC3)CC2)c1 ZINC000296523501 553173753 /nfs/dbraw/zinc/17/37/53/553173753.db2.gz SDUJUVVDESDDJI-GOSISDBHSA-N 1 3 358.530 2.154 20 0 FEADHO CCOc1cc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1O ZINC000297328034 553278932 /nfs/dbraw/zinc/27/89/32/553278932.db2.gz CRCBVSCMJYABQH-UHFFFAOYSA-N 1 3 371.481 2.372 20 0 FEADHO Cc1cc(N2CCC[C@@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)n(C)n1 ZINC000298074900 553380643 /nfs/dbraw/zinc/38/06/43/553380643.db2.gz LHSZWRQJUPOPCF-GOSISDBHSA-N 1 3 354.502 2.351 20 0 FEADHO CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000509002175 561780959 /nfs/dbraw/zinc/78/09/59/561780959.db2.gz SKUISXAYSKONBD-IBGZPJMESA-N 1 3 374.529 2.458 20 0 FEADHO O[C@H]1CCCC[C@@H]1N1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000333014240 554558809 /nfs/dbraw/zinc/55/88/09/554558809.db2.gz BTQSSMCVJXOJFT-SFTDATJTSA-N 1 3 358.530 2.408 20 0 FEADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000333090559 554570671 /nfs/dbraw/zinc/57/06/71/554570671.db2.gz CIZBISFELQZCQK-CTNGQTDRSA-N 1 3 359.514 2.242 20 0 FEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333161593 554581849 /nfs/dbraw/zinc/58/18/49/554581849.db2.gz GMXFAGWZHHPYDJ-GUDVDZBRSA-N 1 3 366.550 2.179 20 0 FEADHO [NH3+]C1(CNC(=O)N2CCN(C3CCCC3)CC2)C2CC3CC(C2)CC1C3 ZINC000333561331 554624019 /nfs/dbraw/zinc/62/40/19/554624019.db2.gz QRVZCPGQBQAHKN-UHFFFAOYSA-N 1 3 360.546 2.410 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333616816 554628057 /nfs/dbraw/zinc/62/80/57/554628057.db2.gz RDZVKAQHZPXUQX-MOPGFXCFSA-N 1 3 371.529 2.329 20 0 FEADHO [NH2+]=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1ccc(OC(F)(F)F)cc1 ZINC000360571918 554880633 /nfs/dbraw/zinc/88/06/33/554880633.db2.gz GWMCVRFLWJQTEF-TZMCWYRMSA-N 1 3 358.364 2.385 20 0 FEADHO COC[C@@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(F)c1 ZINC000361997024 554942640 /nfs/dbraw/zinc/94/26/40/554942640.db2.gz MRFOLKJSPOGFRL-HNAYVOBHSA-N 1 3 353.457 2.410 20 0 FEADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000362175299 554954114 /nfs/dbraw/zinc/95/41/14/554954114.db2.gz BRXKEHISWBXWBE-ZHALLVOQSA-N 1 3 350.551 2.480 20 0 FEADHO COC(=O)c1ccnc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000362302047 554961466 /nfs/dbraw/zinc/96/14/66/554961466.db2.gz AXXMAPTXJWTFBD-QZTJIDSGSA-N 1 3 358.486 2.053 20 0 FEADHO COC(=O)c1ccnc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000362302047 554961469 /nfs/dbraw/zinc/96/14/69/554961469.db2.gz AXXMAPTXJWTFBD-QZTJIDSGSA-N 1 3 358.486 2.053 20 0 FEADHO COC(=O)c1ccnc(N2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)c1 ZINC000362302047 554961471 /nfs/dbraw/zinc/96/14/71/554961471.db2.gz AXXMAPTXJWTFBD-QZTJIDSGSA-N 1 3 358.486 2.053 20 0 FEADHO COCCN(C)CCCNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000363475352 555114442 /nfs/dbraw/zinc/11/44/42/555114442.db2.gz WLKBJBXRLNUUFM-IBGZPJMESA-N 1 3 368.566 2.108 20 0 FEADHO C[C@@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000512145433 561894015 /nfs/dbraw/zinc/89/40/15/561894015.db2.gz XAZZRGXTIBZROH-LJQANCHMSA-N 1 3 370.541 2.355 20 0 FEADHO C[C@@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000512145433 561894017 /nfs/dbraw/zinc/89/40/17/561894017.db2.gz XAZZRGXTIBZROH-LJQANCHMSA-N 1 3 370.541 2.355 20 0 FEADHO C[C@@H](CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)C[NH+]1CCCCC1 ZINC000364717439 555384472 /nfs/dbraw/zinc/38/44/72/555384472.db2.gz PZVJXDZNFINUFE-IHPCNDPISA-N 1 3 373.545 2.496 20 0 FEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000365163390 555499023 /nfs/dbraw/zinc/49/90/23/555499023.db2.gz TXELLCNFWFTXMC-RTBURBONSA-N 1 3 367.497 2.154 20 0 FEADHO COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1O ZINC000365251583 555523068 /nfs/dbraw/zinc/52/30/68/555523068.db2.gz XZOSDGCDHCWHKM-SJLPKXTDSA-N 1 3 361.530 2.480 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCCCCCC[NH+](C)C ZINC000365520871 555597374 /nfs/dbraw/zinc/59/73/74/555597374.db2.gz ZHBOKCQTOTVMMR-GOSISDBHSA-N 1 3 368.566 2.393 20 0 FEADHO Cc1ccccc1OCCCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000513226627 561930185 /nfs/dbraw/zinc/93/01/85/561930185.db2.gz RBZUFEBPAHWNAZ-RTBURBONSA-N 1 3 359.514 2.344 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000365878633 555690815 /nfs/dbraw/zinc/69/08/15/555690815.db2.gz BZLZTLUSWPNLHH-KPFFTGBYSA-N 1 3 359.514 2.367 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000365878633 555690817 /nfs/dbraw/zinc/69/08/17/555690817.db2.gz BZLZTLUSWPNLHH-KPFFTGBYSA-N 1 3 359.514 2.367 20 0 FEADHO C[NH+](C)CCOc1cnccc1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000366470691 555853258 /nfs/dbraw/zinc/85/32/58/555853258.db2.gz IYDIPUANTUFUIL-LJQANCHMSA-N 1 3 374.529 2.435 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000366879476 555958541 /nfs/dbraw/zinc/95/85/41/555958541.db2.gz HDHIVQIKNQMTMH-FQEVSTJZSA-N 1 3 372.557 2.213 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)COCc2ccccc2Cl)CCCO1 ZINC000514669050 561973088 /nfs/dbraw/zinc/97/30/88/561973088.db2.gz VXSZFSVWBYXGKV-AEFFLSMTSA-N 1 3 370.921 2.308 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)COCc2ccccc2Cl)CCCO1 ZINC000514669050 561973089 /nfs/dbraw/zinc/97/30/89/561973089.db2.gz VXSZFSVWBYXGKV-AEFFLSMTSA-N 1 3 370.921 2.308 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000367403798 556039929 /nfs/dbraw/zinc/03/99/29/556039929.db2.gz CNMMGTVJIKEZGO-IBGZPJMESA-N 1 3 356.514 2.041 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000367403798 556039930 /nfs/dbraw/zinc/03/99/30/556039930.db2.gz CNMMGTVJIKEZGO-IBGZPJMESA-N 1 3 356.514 2.041 20 0 FEADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCN2CCC1CC2 ZINC000367409894 556040933 /nfs/dbraw/zinc/04/09/33/556040933.db2.gz KDPZHGVUIGIKOU-INIZCTEOSA-N 1 3 362.543 2.450 20 0 FEADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCN2CCC1CC2 ZINC000367409894 556040934 /nfs/dbraw/zinc/04/09/34/556040934.db2.gz KDPZHGVUIGIKOU-INIZCTEOSA-N 1 3 362.543 2.450 20 0 FEADHO C[C@H]1CN(C[C@H](O)Cc2cccc(Cl)c2)CCN1C1CC[NH+](C)CC1 ZINC000367861366 556157544 /nfs/dbraw/zinc/15/75/44/556157544.db2.gz AIHOSJQWOGKAFX-OXJNMPFZSA-N 1 3 365.949 2.344 20 0 FEADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCCOc1ccc(Cl)cc1 ZINC000514938961 561987905 /nfs/dbraw/zinc/98/79/05/561987905.db2.gz VHNPKXZPDMUYSR-INIZCTEOSA-N 1 3 353.894 2.428 20 0 FEADHO CSC1(CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)CCN(C)CC1 ZINC000514979261 561989914 /nfs/dbraw/zinc/98/99/14/561989914.db2.gz CDRSAQDJTQFALX-INIZCTEOSA-N 1 3 356.580 2.235 20 0 FEADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369194721 556531914 /nfs/dbraw/zinc/53/19/14/556531914.db2.gz GFJGVBNOQTWOTE-RBUKOAKNSA-N 1 3 359.518 2.029 20 0 FEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCCN(CCCOC)CC1 ZINC000369659767 556661126 /nfs/dbraw/zinc/66/11/26/556661126.db2.gz XEWSFUAOPVSLSS-SFHVURJKSA-N 1 3 354.539 2.005 20 0 FEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCCN(CCCOC)CC1 ZINC000369659767 556661129 /nfs/dbraw/zinc/66/11/29/556661129.db2.gz XEWSFUAOPVSLSS-SFHVURJKSA-N 1 3 354.539 2.005 20 0 FEADHO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]C2CCN(C3CCCCC3)CC2)C1=O ZINC000369848630 556711379 /nfs/dbraw/zinc/71/13/79/556711379.db2.gz VZKSNYPIMIAMIO-MGPUTAFESA-N 1 3 362.518 2.094 20 0 FEADHO CC[NH+](CC)[C@H](C)CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000369888741 556721582 /nfs/dbraw/zinc/72/15/82/556721582.db2.gz PJTATLXBWSNRNJ-NEWSRXKRSA-N 1 3 361.534 2.446 20 0 FEADHO CC(C)[N@H+]1C[C@H](NC(=O)N(C)C2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000370405765 556862747 /nfs/dbraw/zinc/86/27/47/556862747.db2.gz XGFZEACWOJQFNE-LPHOPBHVSA-N 1 3 359.518 2.421 20 0 FEADHO CC(C)[N@@H+]1C[C@H](NC(=O)N(C)C2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000370405765 556862752 /nfs/dbraw/zinc/86/27/52/556862752.db2.gz XGFZEACWOJQFNE-LPHOPBHVSA-N 1 3 359.518 2.421 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc4[nH]c(=O)[nH]c43)CC2)CC1 ZINC000516936681 562066057 /nfs/dbraw/zinc/06/60/57/562066057.db2.gz KSYLKIPGNMARGA-UHFFFAOYSA-N 1 3 371.485 2.403 20 0 FEADHO C[NH+]1CCC(n2ccc(=NC(=O)NC[C@@H]3CCN3C3CCCC3)[nH]2)CC1 ZINC000626542295 557107680 /nfs/dbraw/zinc/10/76/80/557107680.db2.gz DLDITYAMPGALGP-KRWDZBQOSA-N 1 3 360.506 2.288 20 0 FEADHO CC1CCC(N(C)C(=O)CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000371260396 557122413 /nfs/dbraw/zinc/12/24/13/557122413.db2.gz MDHHEWCUKLGEMM-QLOJAFMTSA-N 1 3 364.578 2.124 20 0 FEADHO COc1ccc(NC(=O)[C@@H](C)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000371258800 557123023 /nfs/dbraw/zinc/12/30/23/557123023.db2.gz CXJDTBWOVYSRKR-VQIMIIECSA-N 1 3 374.529 2.123 20 0 FEADHO CCN1CCC[C@H](NC(=O)N(C)C2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000371517577 557208082 /nfs/dbraw/zinc/20/80/82/557208082.db2.gz OVNGVOZAGGOHRU-IBGZPJMESA-N 1 3 373.545 2.214 20 0 FEADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000371657304 557254004 /nfs/dbraw/zinc/25/40/04/557254004.db2.gz DNSXNIHKGYPSLE-GUDVDZBRSA-N 1 3 366.550 2.051 20 0 FEADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000371657306 557254127 /nfs/dbraw/zinc/25/41/27/557254127.db2.gz DNSXNIHKGYPSLE-QYZOEREBSA-N 1 3 366.550 2.051 20 0 FEADHO CC(C)[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCCCC1 ZINC000371687630 557262832 /nfs/dbraw/zinc/26/28/32/557262832.db2.gz YCHOHNQXNXSHII-HKUYNNGSSA-N 1 3 351.535 2.114 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000372463999 557477365 /nfs/dbraw/zinc/47/73/65/557477365.db2.gz OPFALBKMGKHEJH-AXVVYFOYSA-N 1 3 351.535 2.147 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000372463999 557477368 /nfs/dbraw/zinc/47/73/68/557477368.db2.gz OPFALBKMGKHEJH-AXVVYFOYSA-N 1 3 351.535 2.147 20 0 FEADHO C[NH+](C)[C@H](CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000372464215 557478007 /nfs/dbraw/zinc/47/80/07/557478007.db2.gz PMUJWNCAXHXMKP-TVKQPGBESA-N 1 3 351.535 2.146 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000519531339 562133702 /nfs/dbraw/zinc/13/37/02/562133702.db2.gz DWBKERZKUQIFQR-DNVCBOLYSA-N 1 3 359.518 2.424 20 0 FEADHO OC1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)Cc2ccccc2C1 ZINC000519537737 562133945 /nfs/dbraw/zinc/13/39/45/562133945.db2.gz DGFWYFHIVXJSMC-SIKLNZKXSA-N 1 3 350.462 2.362 20 0 FEADHO O=C(CC[NH2+]C[C@H](O)CN1CCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000519553757 562134645 /nfs/dbraw/zinc/13/46/45/562134645.db2.gz XCRVQZPTXCQHOZ-HNNXBMFYSA-N 1 3 359.392 2.080 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCC(C)(C)O3)CC2)CC1 ZINC000519619993 562137208 /nfs/dbraw/zinc/13/72/08/562137208.db2.gz XZGOWHQRPJDIET-GOSISDBHSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H](C(=O)Nc1ccc(Cl)cc1)N(C)CCCN(C)CC[NH+](C)C ZINC000519664151 562139147 /nfs/dbraw/zinc/13/91/47/562139147.db2.gz AEJKFHVOHIKXNT-HNNXBMFYSA-N 1 3 354.926 2.482 20 0 FEADHO C[NH+](C)CC1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000373162821 557641925 /nfs/dbraw/zinc/64/19/25/557641925.db2.gz DYZMICNLWSGBIX-UHFFFAOYSA-N 1 3 359.518 2.281 20 0 FEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000373260570 557660661 /nfs/dbraw/zinc/66/06/61/557660661.db2.gz LZODMKCCJNDYMY-ROUUACIJSA-N 1 3 366.550 2.146 20 0 FEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000373260570 557660664 /nfs/dbraw/zinc/66/06/64/557660664.db2.gz LZODMKCCJNDYMY-ROUUACIJSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000373899747 557782825 /nfs/dbraw/zinc/78/28/25/557782825.db2.gz YIZUYKMSTQULHC-ZWKOTPCHSA-N 1 3 366.550 2.002 20 0 FEADHO C[NH+](C)CC1(NC(=O)NC2CCN(Cc3cccs3)CC2)CCC1 ZINC000373985222 557801644 /nfs/dbraw/zinc/80/16/44/557801644.db2.gz WLOKVJGJOWVHSM-UHFFFAOYSA-N 1 3 350.532 2.496 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000374200984 557842777 /nfs/dbraw/zinc/84/27/77/557842777.db2.gz WFMHCDFPUHMHLY-OAQYLSRUSA-N 1 3 356.514 2.460 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000374200984 557842779 /nfs/dbraw/zinc/84/27/79/557842779.db2.gz WFMHCDFPUHMHLY-OAQYLSRUSA-N 1 3 356.514 2.460 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)NC[C@H]3CCCN(C)C3)CCCC2)CC1 ZINC000521285120 562173548 /nfs/dbraw/zinc/17/35/48/562173548.db2.gz JJYNPRMFKSMPRZ-QGZVFWFLSA-N 1 3 366.550 2.051 20 0 FEADHO O=C(NCC1CC[NH+](CCc2ccccc2)CC1)N1CCN2CCC1CC2 ZINC000375204337 557991474 /nfs/dbraw/zinc/99/14/74/557991474.db2.gz AHUFPNYGMMDTGZ-UHFFFAOYSA-N 1 3 370.541 2.431 20 0 FEADHO C(N1CC[C@@]2(C1)CCCOC2)C1(C[N@@H+]2CC[C@]3(C2)CCCOC3)COC1 ZINC000375306030 558006810 /nfs/dbraw/zinc/00/68/10/558006810.db2.gz YQLLLVIOMSRAIN-BGYRXZFFSA-N 1 3 364.530 2.008 20 0 FEADHO C(N1CC[C@@]2(C1)CCCOC2)C1(C[N@H+]2CC[C@]3(C2)CCCOC3)COC1 ZINC000375306030 558006811 /nfs/dbraw/zinc/00/68/11/558006811.db2.gz YQLLLVIOMSRAIN-BGYRXZFFSA-N 1 3 364.530 2.008 20 0 FEADHO C(N1CC[C@]2(C1)CCCOC2)C1(C[N@@H+]2CC[C@@]3(C2)CCCOC3)COC1 ZINC000375306030 558006813 /nfs/dbraw/zinc/00/68/13/558006813.db2.gz YQLLLVIOMSRAIN-BGYRXZFFSA-N 1 3 364.530 2.008 20 0 FEADHO C(N1CC[C@]2(C1)CCCOC2)C1(C[N@H+]2CC[C@@]3(C2)CCCOC3)COC1 ZINC000375306030 558006815 /nfs/dbraw/zinc/00/68/15/558006815.db2.gz YQLLLVIOMSRAIN-BGYRXZFFSA-N 1 3 364.530 2.008 20 0 FEADHO COC[C@@H](C)OC[C@@H](O)CNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375470740 558033246 /nfs/dbraw/zinc/03/32/46/558033246.db2.gz OXBINEBVYCTUEB-RSPOEFSDSA-N 1 3 350.503 2.072 20 0 FEADHO COC[C@@H](C)OC[C@@H](O)CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375470740 558033248 /nfs/dbraw/zinc/03/32/48/558033248.db2.gz OXBINEBVYCTUEB-RSPOEFSDSA-N 1 3 350.503 2.072 20 0 FEADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000375493822 558037163 /nfs/dbraw/zinc/03/71/63/558037163.db2.gz JJZBYNUFKLMITM-IPMKNSEASA-N 1 3 368.566 2.249 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)CCCC3CCOCC3)CC2)CC1 ZINC000375608594 558056294 /nfs/dbraw/zinc/05/62/94/558056294.db2.gz SJCHLGKGZZAWDX-UHFFFAOYSA-N 1 3 351.535 2.258 20 0 FEADHO CN1CC=C(C[NH2+][C@@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000375849208 558088974 /nfs/dbraw/zinc/08/89/74/558088974.db2.gz GGRCFURWJPRNAE-ROUUACIJSA-N 1 3 365.518 2.252 20 0 FEADHO CCCN(CCN1CCCC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000376698276 558210439 /nfs/dbraw/zinc/21/04/39/558210439.db2.gz BXGWCLRMYKJGHK-GOSISDBHSA-N 1 3 366.550 2.005 20 0 FEADHO C[C@H](C(=O)NC1CCC(C)CC1)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376800143 558223071 /nfs/dbraw/zinc/22/30/71/558223071.db2.gz XHBPNEPLQDXRJO-MKQGEQSTSA-N 1 3 364.578 2.170 20 0 FEADHO O=C(NC[C@@H]1CCCCN1C1CC1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000377054120 558256485 /nfs/dbraw/zinc/25/64/85/558256485.db2.gz XSPYTHMUXAIACG-IBGZPJMESA-N 1 3 359.518 2.116 20 0 FEADHO O=C(NCCCC[NH+]1CCCC1)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000377621442 558379135 /nfs/dbraw/zinc/37/91/35/558379135.db2.gz GGWAPGXUOALTHK-HXUWFJFHSA-N 1 3 373.545 2.469 20 0 FEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(C3CCOCC3)CC2)C1 ZINC000377759754 558413935 /nfs/dbraw/zinc/41/39/35/558413935.db2.gz GUCMURROHGJROM-GOSISDBHSA-N 1 3 366.550 2.003 20 0 FEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCCN(C3CCOCC3)CC2)C1 ZINC000377759754 558413936 /nfs/dbraw/zinc/41/39/36/558413936.db2.gz GUCMURROHGJROM-GOSISDBHSA-N 1 3 366.550 2.003 20 0 FEADHO CCCCC[C@H](C)NC(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378423939 558553383 /nfs/dbraw/zinc/55/33/83/558553383.db2.gz CUDSOHVXMFZMBP-HKUYNNGSSA-N 1 3 352.567 2.172 20 0 FEADHO C[C@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](C)N1CCO ZINC000378559181 558583236 /nfs/dbraw/zinc/58/32/36/558583236.db2.gz BDLBLQPOKAFENQ-OALUTQOASA-N 1 3 374.573 2.104 20 0 FEADHO O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390954960 558613197 /nfs/dbraw/zinc/61/31/97/558613197.db2.gz VEMNFTPFWQVAAX-ICSRJNTNSA-N 1 3 359.514 2.174 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000524349670 562227315 /nfs/dbraw/zinc/22/73/15/562227315.db2.gz ZLPNBCYYFUCXDO-VQTJNVASSA-N 1 3 359.514 2.126 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000524349670 562227316 /nfs/dbraw/zinc/22/73/16/562227316.db2.gz ZLPNBCYYFUCXDO-VQTJNVASSA-N 1 3 359.514 2.126 20 0 FEADHO CCOc1cccc([C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000525445598 562248319 /nfs/dbraw/zinc/24/83/19/562248319.db2.gz YQLBQQZGAQWASC-MRXNPFEDSA-N 1 3 350.507 2.281 20 0 FEADHO Cc1cc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)ccc1C[NH+](C)C ZINC000411180266 558849666 /nfs/dbraw/zinc/84/96/66/558849666.db2.gz DBRWRJDLIOXCMP-DOTOQJQBSA-N 1 3 374.529 2.232 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)[C@H](C)C1 ZINC000411415861 558891137 /nfs/dbraw/zinc/89/11/37/558891137.db2.gz GWFDWBPKZYEVER-APWZRJJASA-N 1 3 374.529 2.184 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)[C@H](C)C1 ZINC000411415861 558891140 /nfs/dbraw/zinc/89/11/40/558891140.db2.gz GWFDWBPKZYEVER-APWZRJJASA-N 1 3 374.529 2.184 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)ccc1C[NH+](C)C ZINC000411468472 558900147 /nfs/dbraw/zinc/90/01/47/558900147.db2.gz BSPJKTNBZKLVJR-UHFFFAOYSA-N 1 3 374.529 2.233 20 0 FEADHO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)cn1 ZINC000414094518 559149063 /nfs/dbraw/zinc/14/90/63/559149063.db2.gz NDBJRXHOYIWKFB-INIZCTEOSA-N 1 3 370.497 2.102 20 0 FEADHO CC(C)CO[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1(C)C ZINC000414188668 559152197 /nfs/dbraw/zinc/15/21/97/559152197.db2.gz JARIWAUQRQFGLN-MOPGFXCFSA-N 1 3 367.578 2.212 20 0 FEADHO C[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC000414195657 559152344 /nfs/dbraw/zinc/15/23/44/559152344.db2.gz OCDCBPQIOSDAKU-OAHLLOKOSA-N 1 3 352.910 2.182 20 0 FEADHO COc1cc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)ccc1F ZINC000414207642 559153028 /nfs/dbraw/zinc/15/30/28/559153028.db2.gz ZNNIVIJZHZRBBX-INIZCTEOSA-N 1 3 365.493 2.282 20 0 FEADHO CC(C)[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(F)cn1 ZINC000414204935 559153052 /nfs/dbraw/zinc/15/30/52/559153052.db2.gz WVSLNTSEJDMBOQ-IBGZPJMESA-N 1 3 364.509 2.304 20 0 FEADHO CN1CCC(C[NH2+]Cc2cc3c(cccc3F)[nH]2)(N2CCOCC2)CC1 ZINC000414488452 559168116 /nfs/dbraw/zinc/16/81/16/559168116.db2.gz UEVWFFOORIHRLU-UHFFFAOYSA-N 1 3 360.477 2.193 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000414660942 559177826 /nfs/dbraw/zinc/17/78/26/559177826.db2.gz PAHPTOIQIZOEON-UHFFFAOYSA-N 1 3 360.502 2.115 20 0 FEADHO COc1ccc(C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)[C@H](C)C2CC2)cc1 ZINC000414682471 559179311 /nfs/dbraw/zinc/17/93/11/559179311.db2.gz RGYSJKBNSTVUMA-AEFFLSMTSA-N 1 3 359.514 2.493 20 0 FEADHO COc1ccc(C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)[C@H](C)C2CC2)cc1 ZINC000414682471 559179312 /nfs/dbraw/zinc/17/93/12/559179312.db2.gz RGYSJKBNSTVUMA-AEFFLSMTSA-N 1 3 359.514 2.493 20 0 FEADHO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414712814 559181557 /nfs/dbraw/zinc/18/15/57/559181557.db2.gz VHPQGOWFGSAVJI-QGZVFWFLSA-N 1 3 369.513 2.138 20 0 FEADHO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414712814 559181558 /nfs/dbraw/zinc/18/15/58/559181558.db2.gz VHPQGOWFGSAVJI-QGZVFWFLSA-N 1 3 369.513 2.138 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(Oc3ccccc3Cl)CC2)C1 ZINC000414728086 559182733 /nfs/dbraw/zinc/18/27/33/559182733.db2.gz BZDZSDRCLDSVJY-OAHLLOKOSA-N 1 3 365.905 2.381 20 0 FEADHO CCc1ccccc1NC(=O)CN1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414728853 559182788 /nfs/dbraw/zinc/18/27/88/559182788.db2.gz DDECUPZBDBQYKJ-ROUUACIJSA-N 1 3 358.530 2.193 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000414732473 559182990 /nfs/dbraw/zinc/18/29/90/559182990.db2.gz BTRLCSWASRNSNT-INIZCTEOSA-N 1 3 374.529 2.361 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000414734501 559183132 /nfs/dbraw/zinc/18/31/32/559183132.db2.gz FTMBWLVQPFKDNB-KRWDZBQOSA-N 1 3 365.468 2.417 20 0 FEADHO C[C@H]1C[C@H](CN(C)CCCOc2cccc(S(C)(=O)=O)c2)CC[NH2+]1 ZINC000414754434 559185123 /nfs/dbraw/zinc/18/51/23/559185123.db2.gz XXUGYTWUEMOMRC-JKSUJKDBSA-N 1 3 354.516 2.179 20 0 FEADHO C[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)N(C)Cc1ccccc1 ZINC000414823885 559189693 /nfs/dbraw/zinc/18/96/93/559189693.db2.gz PPHRULOLABUDBT-CVEARBPZSA-N 1 3 368.481 2.282 20 0 FEADHO CC(C)c1ccc([C@@H](N)C[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)cc1 ZINC000414852597 559190926 /nfs/dbraw/zinc/19/09/26/559190926.db2.gz WCWXUNIJZNVODY-FQEVSTJZSA-N 1 3 368.529 2.141 20 0 FEADHO CC(C)c1ccc([C@H](N)C[NH2+]C2CCN(CCN3CCOCC3)CC2)cc1 ZINC000414854572 559190931 /nfs/dbraw/zinc/19/09/31/559190931.db2.gz ZNWJZGLDAIIVAO-JOCHJYFZSA-N 1 3 374.573 2.196 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000414858623 559191152 /nfs/dbraw/zinc/19/11/52/559191152.db2.gz SDWLKXPBPQVTTE-HOTGVXAUSA-N 1 3 360.502 2.114 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC2(N)CCCCCC2)CC1 ZINC000414864063 559191550 /nfs/dbraw/zinc/19/15/50/559191550.db2.gz YSVLKZJTFBGNJW-INIZCTEOSA-N 1 3 367.534 2.208 20 0 FEADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000414878467 559192529 /nfs/dbraw/zinc/19/25/29/559192529.db2.gz NQWXTJRRBJUMHR-QGZVFWFLSA-N 1 3 360.502 2.115 20 0 FEADHO O=C1CC[C@@H](NCc2ccc(OC(F)F)c(F)c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414986591 559199082 /nfs/dbraw/zinc/19/90/82/559199082.db2.gz JAJOSVZXWXRTTG-PBHICJAKSA-N 1 3 371.403 2.164 20 0 FEADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415085462 559204447 /nfs/dbraw/zinc/20/44/47/559204447.db2.gz SMRRTOOJJSFNKW-HIFRSBDPSA-N 1 3 357.420 2.423 20 0 FEADHO CCOC1CC(CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)(N2CCOCC2)C1 ZINC000415094184 559204935 /nfs/dbraw/zinc/20/49/35/559204935.db2.gz DGJLFQURIHZVBH-WBYGSUFKSA-N 1 3 353.551 2.157 20 0 FEADHO CCOC1CC(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)(N2CCOCC2)C1 ZINC000415103798 559205566 /nfs/dbraw/zinc/20/55/66/559205566.db2.gz KBHUDOWHXQSHME-XZFTYKLISA-N 1 3 373.541 2.339 20 0 FEADHO COCCCn1nccc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415132276 559207158 /nfs/dbraw/zinc/20/71/58/559207158.db2.gz KQZQVPOYNMLATD-UHFFFAOYSA-N 1 3 371.529 2.003 20 0 FEADHO COc1c(O)cccc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415132005 559207389 /nfs/dbraw/zinc/20/73/89/559207389.db2.gz KMWAUNZIQAKFQI-UHFFFAOYSA-N 1 3 355.482 2.484 20 0 FEADHO COc1ccc(C(=O)Nc2cccc(CN3CCC(O)(C[NH3+])CC3)c2)cc1 ZINC000415136217 559207458 /nfs/dbraw/zinc/20/74/58/559207458.db2.gz CIJAYCQROKJHJB-UHFFFAOYSA-N 1 3 369.465 2.233 20 0 FEADHO CN(CCC[NH+](C)C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000527169669 562278986 /nfs/dbraw/zinc/27/89/86/562278986.db2.gz FUMVHRBZONBYAD-UHFFFAOYSA-N 1 3 364.456 2.385 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000415449786 559238395 /nfs/dbraw/zinc/23/83/95/559238395.db2.gz LMNYWAAFCNKJJY-UHFFFAOYSA-N 1 3 360.502 2.115 20 0 FEADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415506601 559244729 /nfs/dbraw/zinc/24/47/29/559244729.db2.gz SSXGOOOVAWVNAH-SFHVURJKSA-N 1 3 360.502 2.245 20 0 FEADHO C[NH2+]Cc1ccc(NC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)cc1 ZINC000415980847 559286858 /nfs/dbraw/zinc/28/68/58/559286858.db2.gz HTVSXOQKERWHBI-HXUWFJFHSA-N 1 3 368.481 2.294 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C(F)(F)F ZINC000415994027 559287815 /nfs/dbraw/zinc/28/78/15/559287815.db2.gz KARPLYNDZBWYNB-LSDHHAIUSA-N 1 3 358.408 2.402 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415997724 559288153 /nfs/dbraw/zinc/28/81/53/559288153.db2.gz RYXXMTDVLMAPRH-AWEZNQCLSA-N 1 3 364.387 2.179 20 0 FEADHO C[NH+](C)C1(CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000416307356 559304694 /nfs/dbraw/zinc/30/46/94/559304694.db2.gz KHXZAPPWIUVRRN-MRXNPFEDSA-N 1 3 351.441 2.354 20 0 FEADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000416796935 559333142 /nfs/dbraw/zinc/33/31/42/559333142.db2.gz XNWWUYZZEMPCFB-KDURUIRLSA-N 1 3 356.514 2.292 20 0 FEADHO COCC[NH2+]CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416829179 559334195 /nfs/dbraw/zinc/33/41/95/559334195.db2.gz FLTWFKGDKKSQKE-MRXNPFEDSA-N 1 3 368.547 2.056 20 0 FEADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000416838077 559334500 /nfs/dbraw/zinc/33/45/00/559334500.db2.gz IRXDPHAQBACACO-UXHICEINSA-N 1 3 356.514 2.435 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1cccc(OC)c1 ZINC000416928597 559338771 /nfs/dbraw/zinc/33/87/71/559338771.db2.gz VAAZLIUBUSVHFG-CMKODMSKSA-N 1 3 374.529 2.329 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000416963700 559340534 /nfs/dbraw/zinc/34/05/34/559340534.db2.gz BOFRPTPEXKHZOE-SFHVURJKSA-N 1 3 362.518 2.204 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000416970002 559340811 /nfs/dbraw/zinc/34/08/11/559340811.db2.gz CYZGZLUAXAENCX-ICSRJNTNSA-N 1 3 356.514 2.353 20 0 FEADHO CCCN(C(=O)NCc1cccc(OCCN(C)C)c1)C1CC[NH2+]CC1 ZINC000416970661 559340928 /nfs/dbraw/zinc/34/09/28/559340928.db2.gz AUGNVBDTRFMOJB-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000416997423 559342888 /nfs/dbraw/zinc/34/28/88/559342888.db2.gz ADGAMFDIQCBITM-UONOGXRCSA-N 1 3 360.474 2.427 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+])c1ccsc1 ZINC000417008265 559343424 /nfs/dbraw/zinc/34/34/24/559343424.db2.gz LYPJCUXCIBDICN-YESZJQIVSA-N 1 3 368.547 2.279 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccsc1 ZINC000417011338 559343640 /nfs/dbraw/zinc/34/36/40/559343640.db2.gz RPRNAYAHSHQACH-USXIJHARSA-N 1 3 350.532 2.382 20 0 FEADHO CC[C@@H](CNC(=O)N1CCC[C@@H](C[NH2+]C)C1)N1CCc2ccccc2C1 ZINC000417014501 559343791 /nfs/dbraw/zinc/34/37/91/559343791.db2.gz LCGIZXDIJFWZDX-PXNSSMCTSA-N 1 3 358.530 2.464 20 0 FEADHO COCC[N@H+](C)CCCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000417091038 559347449 /nfs/dbraw/zinc/34/74/49/559347449.db2.gz IWEDCJZQZPKYID-IBGZPJMESA-N 1 3 358.486 2.107 20 0 FEADHO COCC[N@@H+](C)CCCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000417091038 559347450 /nfs/dbraw/zinc/34/74/50/559347450.db2.gz IWEDCJZQZPKYID-IBGZPJMESA-N 1 3 358.486 2.107 20 0 FEADHO Cc1ccc([C@H](CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)N2CCCC2)cc1 ZINC000417350745 559358725 /nfs/dbraw/zinc/35/87/25/559358725.db2.gz BCWDNKOLOMZTBH-AABGKKOBSA-N 1 3 356.514 2.383 20 0 FEADHO [NH3+]CC[C@H](NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C(F)F ZINC000417360511 559359087 /nfs/dbraw/zinc/35/90/87/559359087.db2.gz HVWBBIXVRYMQQB-JSGCOSHPSA-N 1 3 360.474 2.242 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C(F)F ZINC000417360513 559359207 /nfs/dbraw/zinc/35/92/07/559359207.db2.gz HVWBBIXVRYMQQB-TZMCWYRMSA-N 1 3 360.474 2.242 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417380576 559360051 /nfs/dbraw/zinc/36/00/51/559360051.db2.gz KRBYTHGMQDYZHZ-IAGOWNOFSA-N 1 3 362.543 2.211 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417381928 559360176 /nfs/dbraw/zinc/36/01/76/559360176.db2.gz NEHIPLYCMBBFOW-IAGOWNOFSA-N 1 3 362.543 2.211 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000417519405 559365681 /nfs/dbraw/zinc/36/56/81/559365681.db2.gz VDPMJWIRIWSYEZ-QRQLOZEOSA-N 1 3 362.518 2.136 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000417550922 559366666 /nfs/dbraw/zinc/36/66/66/559366666.db2.gz XRDCIYKFXABVCP-OAHLLOKOSA-N 1 3 362.518 2.395 20 0 FEADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417593223 559368551 /nfs/dbraw/zinc/36/85/51/559368551.db2.gz KHQVIKWBBXCHJJ-MOPGFXCFSA-N 1 3 374.529 2.478 20 0 FEADHO C[NH2+]C[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000417620110 559369386 /nfs/dbraw/zinc/36/93/86/559369386.db2.gz COZVXNIUNBZSHU-QGZVFWFLSA-N 1 3 368.591 2.379 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000417815179 559377382 /nfs/dbraw/zinc/37/73/82/559377382.db2.gz SLNSWOPEOCXTOL-UHFFFAOYSA-N 1 3 354.539 2.227 20 0 FEADHO CN1CC[C@@H](NC(=O)NCCC[NH2+]Cc2cccnc2)[C@H]1c1ccccc1 ZINC000417944718 559383052 /nfs/dbraw/zinc/38/30/52/559383052.db2.gz PWLOXUHDTKRQBR-WOJBJXKFSA-N 1 3 367.497 2.306 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418008648 559386336 /nfs/dbraw/zinc/38/63/36/559386336.db2.gz HHFVARQMIUYHIA-LMNJBCLMSA-N 1 3 356.514 2.292 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418014146 559386589 /nfs/dbraw/zinc/38/65/89/559386589.db2.gz NYKQPTPXORRNRZ-UWPGDLITSA-N 1 3 356.514 2.431 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccccc1C(=O)N(C)C ZINC000418068644 559388855 /nfs/dbraw/zinc/38/88/55/559388855.db2.gz OIRQCACUMPPAOU-LJQANCHMSA-N 1 3 360.546 2.236 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccccc1C(=O)N(C)C ZINC000418068644 559388856 /nfs/dbraw/zinc/38/88/56/559388856.db2.gz OIRQCACUMPPAOU-LJQANCHMSA-N 1 3 360.546 2.236 20 0 FEADHO C[C@H](C[NH3+])NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418151830 559392041 /nfs/dbraw/zinc/39/20/41/559392041.db2.gz GFRBOJBISHNPFX-LSTHTHJFSA-N 1 3 352.482 2.301 20 0 FEADHO CO[C@@H]1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000418157012 559392286 /nfs/dbraw/zinc/39/22/86/559392286.db2.gz XMSYOOVPIBVEJH-AQNXPRMDSA-N 1 3 374.529 2.045 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)N3CCC[C@@H](CC[NH3+])C3)cc2)CC1 ZINC000418168462 559392768 /nfs/dbraw/zinc/39/27/68/559392768.db2.gz LZTOVNMMBRXQOH-SFHVURJKSA-N 1 3 374.529 2.430 20 0 FEADHO CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418171423 559392837 /nfs/dbraw/zinc/39/28/37/559392837.db2.gz QEPXRVFTPUJRBJ-QGZVFWFLSA-N 1 3 362.518 2.476 20 0 FEADHO C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC1 ZINC000418192841 559393638 /nfs/dbraw/zinc/39/36/38/559393638.db2.gz YYIGPJUSMTVHNN-MRXNPFEDSA-N 1 3 374.529 2.428 20 0 FEADHO CCc1ccc([C@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)N(CC)CC)cc1 ZINC000418218342 559394297 /nfs/dbraw/zinc/39/42/97/559394297.db2.gz QQZIDZGQIDRQHW-MOPGFXCFSA-N 1 3 362.518 2.001 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)N(C)C)cc1 ZINC000418233061 559394879 /nfs/dbraw/zinc/39/48/79/559394879.db2.gz NVRLWOUYDXBFTC-GJZGRUSLSA-N 1 3 372.485 2.308 20 0 FEADHO COC[C@@]1(CNC(=O)NCC2(N(C)Cc3ccccc3)CCC2)CCC[NH2+]1 ZINC000418235647 559395001 /nfs/dbraw/zinc/39/50/01/559395001.db2.gz AKVHVPZROMNFQJ-FQEVSTJZSA-N 1 3 374.529 2.109 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)N(C)C)cc1 ZINC000418236274 559395069 /nfs/dbraw/zinc/39/50/69/559395069.db2.gz UQJQFJRQXVAYKX-CPUCHLNUSA-N 1 3 350.532 2.390 20 0 FEADHO C[C@H](C[NH3+])NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000418288974 559396540 /nfs/dbraw/zinc/39/65/40/559396540.db2.gz IXNNYWDOSYDYGN-UIAACRFSSA-N 1 3 370.472 2.440 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418331053 559397646 /nfs/dbraw/zinc/39/76/46/559397646.db2.gz CIGWBFRDALMUSH-DFQSSKMNSA-N 1 3 373.545 2.466 20 0 FEADHO O=C(NCCCNCc1cccnc1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000418334158 559397959 /nfs/dbraw/zinc/39/79/59/559397959.db2.gz WKXFYAMEWVUGEC-OALUTQOASA-N 1 3 359.518 2.125 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C[NH3+])CC(C)C)c1 ZINC000418446333 559401873 /nfs/dbraw/zinc/40/18/73/559401873.db2.gz PIDZOCNZYYGCLI-QGZVFWFLSA-N 1 3 350.507 2.142 20 0 FEADHO CCC([NH3+])(CC)CNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418445198 559401945 /nfs/dbraw/zinc/40/19/45/559401945.db2.gz XREPBBVQEBIZMF-HZPDHXFCSA-N 1 3 354.539 2.035 20 0 FEADHO CCC([NH3+])(CC)CNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418445199 559401966 /nfs/dbraw/zinc/40/19/66/559401966.db2.gz XREPBBVQEBIZMF-IYBDPMFKSA-N 1 3 354.539 2.035 20 0 FEADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1 ZINC000418484610 559403429 /nfs/dbraw/zinc/40/34/29/559403429.db2.gz GQKXNNFCGCSXTH-HZPDHXFCSA-N 1 3 360.502 2.101 20 0 FEADHO C[C@H]1CN(C(=O)NC[C@@H]2NCCc3ccccc32)CC[N@@H+](C2CCC2)C1 ZINC000418630621 559408556 /nfs/dbraw/zinc/40/85/56/559408556.db2.gz FPWGXJJFSATKNL-UZLBHIALSA-N 1 3 356.514 2.389 20 0 FEADHO C[C@H]1CN(C(=O)NC[C@@H]2NCCc3ccccc32)CC[N@H+](C2CCC2)C1 ZINC000418630621 559408557 /nfs/dbraw/zinc/40/85/57/559408557.db2.gz FPWGXJJFSATKNL-UZLBHIALSA-N 1 3 356.514 2.389 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418663621 559410286 /nfs/dbraw/zinc/41/02/86/559410286.db2.gz YEXHVGNRPBCKBG-RBUKOAKNSA-N 1 3 362.493 2.287 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000418730487 559412903 /nfs/dbraw/zinc/41/29/03/559412903.db2.gz SJSRQJCQILWODR-PSBWJHGTSA-N 1 3 366.550 2.035 20 0 FEADHO Cc1cccc(OCCNC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420341924 559481909 /nfs/dbraw/zinc/48/19/09/559481909.db2.gz OWRYUCQTPKJZBX-IPMKNSEASA-N 1 3 359.514 2.200 20 0 FEADHO NC[C@@H]1C[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)CCCO1 ZINC000420398389 559485336 /nfs/dbraw/zinc/48/53/36/559485336.db2.gz YOBOQFNYBFMZLF-HXUWFJFHSA-N 1 3 367.493 2.332 20 0 FEADHO NC[C@@H]1C[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)CCCO1 ZINC000420398389 559485337 /nfs/dbraw/zinc/48/53/37/559485337.db2.gz YOBOQFNYBFMZLF-HXUWFJFHSA-N 1 3 367.493 2.332 20 0 FEADHO CN(C[C@@H]1CCCN1C)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000420796001 559504951 /nfs/dbraw/zinc/50/49/51/559504951.db2.gz MUROMKCTZTXHFQ-SFHVURJKSA-N 1 3 362.518 2.253 20 0 FEADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000422163355 559568798 /nfs/dbraw/zinc/56/87/98/559568798.db2.gz FONCHUCFRFGKTK-INIZCTEOSA-N 1 3 354.564 2.084 20 0 FEADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000422163355 559568799 /nfs/dbraw/zinc/56/87/99/559568799.db2.gz FONCHUCFRFGKTK-INIZCTEOSA-N 1 3 354.564 2.084 20 0 FEADHO C(N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCCC1 ZINC000422700814 559603418 /nfs/dbraw/zinc/60/34/18/559603418.db2.gz ASLLGIUGVLCFSK-GUDVDZBRSA-N 1 3 367.603 2.485 20 0 FEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000422730165 559604677 /nfs/dbraw/zinc/60/46/77/559604677.db2.gz JFCIOAAKQNPRKW-HIFRSBDPSA-N 1 3 354.292 2.286 20 0 FEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422730165 559604678 /nfs/dbraw/zinc/60/46/78/559604678.db2.gz JFCIOAAKQNPRKW-HIFRSBDPSA-N 1 3 354.292 2.286 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000422737387 559604885 /nfs/dbraw/zinc/60/48/85/559604885.db2.gz HVKHKUPYZRHRPD-ZWKOTPCHSA-N 1 3 353.532 2.264 20 0 FEADHO CCC[C@@H](N[C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1nnc2ccccn21 ZINC000422739435 559605113 /nfs/dbraw/zinc/60/51/13/559605113.db2.gz LGKWOQYZPUNZOW-JKSUJKDBSA-N 1 3 373.501 2.482 20 0 FEADHO COc1cc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000422835339 559608032 /nfs/dbraw/zinc/60/80/32/559608032.db2.gz YNIIWBQMTGGUSH-KWCYVHTRSA-N 1 3 362.392 2.478 20 0 FEADHO O=C(NCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000422863581 559608879 /nfs/dbraw/zinc/60/88/79/559608879.db2.gz SBJKUYGMOWOEFQ-XYPWUTKMSA-N 1 3 366.303 2.442 20 0 FEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422880206 559609640 /nfs/dbraw/zinc/60/96/40/559609640.db2.gz NNDRNECXCYVQSS-HIFRSBDPSA-N 1 3 354.292 2.286 20 0 FEADHO C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@]1(N2CCOCC2)CCSC1 ZINC000422898948 559610352 /nfs/dbraw/zinc/61/03/52/559610352.db2.gz GGTMWDHHFMASMK-RDGPPVDQSA-N 1 3 353.576 2.095 20 0 FEADHO CN(C)CCNC(=O)c1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422910382 559610900 /nfs/dbraw/zinc/61/09/00/559610900.db2.gz HZCTZNSLFSLRCL-NJDAHSKKSA-N 1 3 372.557 2.378 20 0 FEADHO CN(C)CCNC(=O)c1ccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422914807 559611166 /nfs/dbraw/zinc/61/11/66/559611166.db2.gz WBOPLBYNWQNYGY-VQTJNVASSA-N 1 3 352.482 2.212 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000422919514 559611330 /nfs/dbraw/zinc/61/13/30/559611330.db2.gz JVOYWKLQBUWWHY-UONOGXRCSA-N 1 3 359.392 2.154 20 0 FEADHO COC[C@@H](CCC[NH3+])N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000422919513 559611340 /nfs/dbraw/zinc/61/13/40/559611340.db2.gz JVOYWKLQBUWWHY-KGLIPLIRSA-N 1 3 359.392 2.154 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000423044668 559616138 /nfs/dbraw/zinc/61/61/38/559616138.db2.gz RCOWASWQDVUNBX-XHDPSFHLSA-N 1 3 360.285 2.442 20 0 FEADHO CCOC(=O)C1([C@H](C)NC2(C(=O)Nc3ccccc3)CC2)CC[NH2+]CC1 ZINC000423066371 559617225 /nfs/dbraw/zinc/61/72/25/559617225.db2.gz WTUKUYULKJKOFL-HNNXBMFYSA-N 1 3 359.470 2.069 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423085054 559618218 /nfs/dbraw/zinc/61/82/18/559618218.db2.gz JDHRCWYCCHNQDT-ZFZWDLNGSA-N 1 3 368.319 2.370 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000423138094 559620571 /nfs/dbraw/zinc/62/05/71/559620571.db2.gz SBAAXNLREISLAW-FHLIZLRMSA-N 1 3 351.466 2.221 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1cnc(SC2CCCC2)nc1 ZINC000423136337 559620574 /nfs/dbraw/zinc/62/05/74/559620574.db2.gz PCXYSDMVTVARJV-JQFCIGGWSA-N 1 3 350.532 2.396 20 0 FEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423136337 559620575 /nfs/dbraw/zinc/62/05/75/559620575.db2.gz PCXYSDMVTVARJV-JQFCIGGWSA-N 1 3 350.532 2.396 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2cnc(OC)c(Cl)c2)CC[NH2+]CC1 ZINC000423150272 559620939 /nfs/dbraw/zinc/62/09/39/559620939.db2.gz BKROULHYGFEDMF-LBPRGKRZSA-N 1 3 355.866 2.155 20 0 FEADHO Cc1ccc([C@H](CNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000423348233 559626317 /nfs/dbraw/zinc/62/63/17/559626317.db2.gz SKFRAYUUZGXBRG-WMZOPIPTSA-N 1 3 355.486 2.218 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000423800908 559639909 /nfs/dbraw/zinc/63/99/09/559639909.db2.gz SAXZFXCDQVLTQG-HAGHYFMRSA-N 1 3 356.514 2.283 20 0 FEADHO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424332445 559661564 /nfs/dbraw/zinc/66/15/64/559661564.db2.gz KSKNMRAVPMXVEQ-CHWSQXEVSA-N 1 3 360.321 2.329 20 0 FEADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424437659 559664779 /nfs/dbraw/zinc/66/47/79/559664779.db2.gz JHFSLNJWPWDZIR-UHFFFAOYSA-N 1 3 362.518 2.219 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000424454949 559665824 /nfs/dbraw/zinc/66/58/24/559665824.db2.gz QNDFJOVYPPGANO-GUDVDZBRSA-N 1 3 362.518 2.265 20 0 FEADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CCN1C1CCN(C)CC1 ZINC000426940669 559744577 /nfs/dbraw/zinc/74/45/77/559744577.db2.gz QFARZELQBXIWMM-SFHVURJKSA-N 1 3 364.578 2.125 20 0 FEADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427265833 559751832 /nfs/dbraw/zinc/75/18/32/559751832.db2.gz PEYJDLYWZWGWHS-AEFFLSMTSA-N 1 3 372.513 2.102 20 0 FEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000428971271 559787113 /nfs/dbraw/zinc/78/71/13/559787113.db2.gz VVOITVYSYYUETK-UWJYYQICSA-N 1 3 361.530 2.249 20 0 FEADHO COc1ccc2cc(CN(C)C(=O)CN3CCC(C[NH3+])CC3)ccc2c1 ZINC000430647373 559825557 /nfs/dbraw/zinc/82/55/57/559825557.db2.gz PYSNSGPQIXRZGV-UHFFFAOYSA-N 1 3 355.482 2.478 20 0 FEADHO Cc1cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n(C2CCN(C)CC2)n1 ZINC000431114517 559834307 /nfs/dbraw/zinc/83/43/07/559834307.db2.gz YQXLGTNNVSHUHZ-RDJZCZTQSA-N 1 3 360.506 2.207 20 0 FEADHO Cc1cc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)n(C2CCN(C)CC2)n1 ZINC000431114517 559834308 /nfs/dbraw/zinc/83/43/08/559834308.db2.gz YQXLGTNNVSHUHZ-RDJZCZTQSA-N 1 3 360.506 2.207 20 0 FEADHO CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)N1CCN(C)CC1 ZINC000431859626 559847579 /nfs/dbraw/zinc/84/75/79/559847579.db2.gz NYWSHTQDPUGONF-WOJBJXKFSA-N 1 3 364.578 2.172 20 0 FEADHO CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)N1CCN(C)CC1 ZINC000431859626 559847580 /nfs/dbraw/zinc/84/75/80/559847580.db2.gz NYWSHTQDPUGONF-WOJBJXKFSA-N 1 3 364.578 2.172 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCN1CCOC ZINC000431974678 559849632 /nfs/dbraw/zinc/84/96/32/559849632.db2.gz SKEUSEVGTFCJQX-IPMKNSEASA-N 1 3 368.566 2.297 20 0 FEADHO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000433365788 559878699 /nfs/dbraw/zinc/87/86/99/559878699.db2.gz QHWUTMFIQBYVFM-UHFFFAOYSA-N 1 3 355.548 2.491 20 0 FEADHO C[C@H](CCNC(=O)NCCCN1CCCO[C@@H](C)C1)[NH+]1CCCCC1 ZINC000433409419 559880465 /nfs/dbraw/zinc/88/04/65/559880465.db2.gz HHLZFBWVTALVMU-MSOLQXFVSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@H]1C[N@H+](CCCNC(=O)N(CCN(C)C)C2CCCC2)CCCO1 ZINC000433456352 559881854 /nfs/dbraw/zinc/88/18/54/559881854.db2.gz VTQNBBRCGHOVHP-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@H]1C[N@@H+](CCCNC(=O)N(CCN(C)C)C2CCCC2)CCCO1 ZINC000433456352 559881855 /nfs/dbraw/zinc/88/18/55/559881855.db2.gz VTQNBBRCGHOVHP-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCCOc1cccc(Cl)c1 ZINC000436050904 559934267 /nfs/dbraw/zinc/93/42/67/559934267.db2.gz JFNUMMYJCNUJBT-MRXNPFEDSA-N 1 3 353.894 2.428 20 0 FEADHO CCN1CCN(Cc2ccc(NC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)cc2)CC1 ZINC000436289633 559939259 /nfs/dbraw/zinc/93/92/59/559939259.db2.gz YEPOONJYDSGZOW-WIYYLYMNSA-N 1 3 356.514 2.152 20 0 FEADHO CC(C)Cn1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(C(F)F)n1 ZINC000527381582 562287131 /nfs/dbraw/zinc/28/71/31/562287131.db2.gz WDFQFXAWHJDILC-UHFFFAOYSA-N 1 3 374.480 2.434 20 0 FEADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCCOc2ccc(C(F)(F)F)cc2)C1 ZINC000443055317 560068133 /nfs/dbraw/zinc/06/81/33/560068133.db2.gz BFFARNURCZRIDK-CQSZACIVSA-N 1 3 373.419 2.261 20 0 FEADHO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N1CCC[C@H](CC[NH3+])C1 ZINC000443079614 560069573 /nfs/dbraw/zinc/06/95/73/560069573.db2.gz ZRGFJJWMQPPYGR-ARFHVFGLSA-N 1 3 361.486 2.084 20 0 FEADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)C1(C)C ZINC000444193214 560105077 /nfs/dbraw/zinc/10/50/77/560105077.db2.gz ZYMVOUHEKKRNAA-WOIUINJBSA-N 1 3 373.541 2.472 20 0 FEADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444268448 560107454 /nfs/dbraw/zinc/10/74/54/560107454.db2.gz JTSUKJBRCFFVBT-TZIWHRDSSA-N 1 3 354.498 2.157 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000446265163 560143093 /nfs/dbraw/zinc/14/30/93/560143093.db2.gz NYXBJICQSXCLJE-NNMXDRDESA-N 1 3 371.525 2.431 20 0 FEADHO C[NH+](C)C1(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CCCCCC1 ZINC000446290984 560143734 /nfs/dbraw/zinc/14/37/34/560143734.db2.gz FJRKVBQAKPTPQW-TWOQFEAHSA-N 1 3 351.535 2.290 20 0 FEADHO CN(C)CCOCC[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000447598084 560165083 /nfs/dbraw/zinc/16/50/83/560165083.db2.gz HKQGCVHHJSCXBI-IRXDYDNUSA-N 1 3 373.497 2.152 20 0 FEADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H](C)N2CCN(C)CC2)CC1 ZINC000449133252 560217615 /nfs/dbraw/zinc/21/76/15/560217615.db2.gz CYMIOTBJCSWLBK-UXHICEINSA-N 1 3 358.574 2.308 20 0 FEADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](C)N2CCN(C)CC2)CC1 ZINC000449133252 560217616 /nfs/dbraw/zinc/21/76/16/560217616.db2.gz CYMIOTBJCSWLBK-UXHICEINSA-N 1 3 358.574 2.308 20 0 FEADHO CCN1CCN(CCC[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449220124 560220592 /nfs/dbraw/zinc/22/05/92/560220592.db2.gz PIMPNYUYAWKUAA-UHFFFAOYSA-N 1 3 359.493 2.343 20 0 FEADHO Cn1cc(CNCCN2CCC([NH+](C)C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449222611 560220848 /nfs/dbraw/zinc/22/08/48/560220848.db2.gz MULQVGZRDYRYIG-UHFFFAOYSA-N 1 3 359.493 2.342 20 0 FEADHO C[C@@H]1Cc2cccc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2O1 ZINC000449822277 560241204 /nfs/dbraw/zinc/24/12/04/560241204.db2.gz VHFCZGPAPISLGV-OAHLLOKOSA-N 1 3 357.498 2.298 20 0 FEADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(C[C@H](O)CCC(C)C)C2)CC1 ZINC000451524625 560311982 /nfs/dbraw/zinc/31/19/82/560311982.db2.gz CYSJXXULWWGGCO-WOJBJXKFSA-N 1 3 353.551 2.050 20 0 FEADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(C[C@H](O)CCC(C)C)C2)CC1 ZINC000451524625 560311983 /nfs/dbraw/zinc/31/19/83/560311983.db2.gz CYSJXXULWWGGCO-WOJBJXKFSA-N 1 3 353.551 2.050 20 0 FEADHO CCC[C@H](C(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)N(C)C ZINC000453039552 560382107 /nfs/dbraw/zinc/38/21/07/560382107.db2.gz ZRKPFCSEPUVYGT-HXUWFJFHSA-N 1 3 374.529 2.456 20 0 FEADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000453353870 560385746 /nfs/dbraw/zinc/38/57/46/560385746.db2.gz NRACSXADLZNWPA-WZYMTQMTSA-N 1 3 351.516 2.227 20 0 FEADHO C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000453588409 560389797 /nfs/dbraw/zinc/38/97/97/560389797.db2.gz DGIGEMQALDDNQN-KXBFYZLASA-N 1 3 372.513 2.022 20 0 FEADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453654231 560393744 /nfs/dbraw/zinc/39/37/44/560393744.db2.gz NURCZVXEABOOTM-PKOBYXMFSA-N 1 3 372.513 2.165 20 0 FEADHO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccnn1CCN(C)C ZINC000455646709 560490468 /nfs/dbraw/zinc/49/04/68/560490468.db2.gz KKWYNKBTZPWRRQ-UHFFFAOYSA-N 1 3 350.511 2.175 20 0 FEADHO C[C@H](CO)N1CCCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455843260 560497189 /nfs/dbraw/zinc/49/71/89/560497189.db2.gz GCUASXAYBNYDLK-DNVCBOLYSA-N 1 3 360.502 2.156 20 0 FEADHO NC(=O)[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccc(F)cc1 ZINC000459459487 560687755 /nfs/dbraw/zinc/68/77/55/560687755.db2.gz HTFXFGCPMHXVII-MRXNPFEDSA-N 1 3 356.445 2.123 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000461981893 560790567 /nfs/dbraw/zinc/79/05/67/560790567.db2.gz KITFVJJFCUROFB-NRFANRHFSA-N 1 3 370.541 2.286 20 0 FEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000461979636 560790664 /nfs/dbraw/zinc/79/06/64/560790664.db2.gz AHIDIZAQCLCZFY-VQTJNVASSA-N 1 3 372.557 2.435 20 0 FEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000461979636 560790665 /nfs/dbraw/zinc/79/06/65/560790665.db2.gz AHIDIZAQCLCZFY-VQTJNVASSA-N 1 3 372.557 2.435 20 0 FEADHO CN(CCNC(=O)C1CC[NH+](CCC(C)(C)O)CC1)Cc1ccccc1 ZINC000462315502 560805459 /nfs/dbraw/zinc/80/54/59/560805459.db2.gz QDKOJPCNJFELQQ-UHFFFAOYSA-N 1 3 361.530 2.108 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1)[N@@H+]1CCCC[C@H]1C ZINC000465527637 560867381 /nfs/dbraw/zinc/86/73/81/560867381.db2.gz QUXRVVGRQBYFLP-KURKYZTESA-N 1 3 354.539 2.002 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1)[N@H+]1CCCC[C@H]1C ZINC000465527637 560867383 /nfs/dbraw/zinc/86/73/83/560867383.db2.gz QUXRVVGRQBYFLP-KURKYZTESA-N 1 3 354.539 2.002 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000466791742 560895663 /nfs/dbraw/zinc/89/56/63/560895663.db2.gz RTVMLVOINUKUGS-QFBILLFUSA-N 1 3 366.550 2.002 20 0 FEADHO COc1ccc2c(c1)[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)CCS2 ZINC000467422291 560909677 /nfs/dbraw/zinc/90/96/77/560909677.db2.gz ZVWMYOVSAFRLMA-RHSMWYFYSA-N 1 3 363.527 2.409 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCc3nccn3C2)CC1 ZINC000468006603 560920968 /nfs/dbraw/zinc/92/09/68/560920968.db2.gz URYARKKIMOKKFK-SFHVURJKSA-N 1 3 353.514 2.377 20 0 FEADHO COC[C@@H]1CCCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000468087358 560922299 /nfs/dbraw/zinc/92/22/99/560922299.db2.gz NQDAQMUKCWMOLL-QGZVFWFLSA-N 1 3 366.550 2.003 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nc(C)cs1 ZINC000468968155 560943532 /nfs/dbraw/zinc/94/35/32/560943532.db2.gz NAFWEUBGQHLWQV-MRXNPFEDSA-N 1 3 352.548 2.259 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nc(C)cs1 ZINC000468968155 560943533 /nfs/dbraw/zinc/94/35/33/560943533.db2.gz NAFWEUBGQHLWQV-MRXNPFEDSA-N 1 3 352.548 2.259 20 0 FEADHO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccc3c(c2)CNC3)cc1 ZINC000470377936 560980171 /nfs/dbraw/zinc/98/01/71/560980171.db2.gz ZBNQOGQUZLRPIU-UHFFFAOYSA-N 1 3 353.466 2.203 20 0 FEADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccc2c(c1)C[NH2+]C2 ZINC000470481871 560983172 /nfs/dbraw/zinc/98/31/72/560983172.db2.gz KNUYMQUUMWGVSF-UHFFFAOYSA-N 1 3 351.450 2.499 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000472667924 561032369 /nfs/dbraw/zinc/03/23/69/561032369.db2.gz FLHQTFJVVWMPME-CALCHBBNSA-N 1 3 367.559 2.395 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000472667924 561032370 /nfs/dbraw/zinc/03/23/70/561032370.db2.gz FLHQTFJVVWMPME-CALCHBBNSA-N 1 3 367.559 2.395 20 0 FEADHO CN1CCN(CCC(C)(C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000474810292 561083375 /nfs/dbraw/zinc/08/33/75/561083375.db2.gz RJXOQPRMVWZPAT-SFHVURJKSA-N 1 3 364.578 2.173 20 0 FEADHO CN1CCN(CCC(C)(C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000474810292 561083376 /nfs/dbraw/zinc/08/33/76/561083376.db2.gz RJXOQPRMVWZPAT-SFHVURJKSA-N 1 3 364.578 2.173 20 0 FEADHO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)C1CCSCC1 ZINC000474883641 561084786 /nfs/dbraw/zinc/08/47/86/561084786.db2.gz ACFTVRQXWXMCFO-APWZRJJASA-N 1 3 363.571 2.397 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@H]1C ZINC000475040631 561088356 /nfs/dbraw/zinc/08/83/56/561088356.db2.gz ULOVYXDZWQXPLN-HOJAQTOUSA-N 1 3 360.546 2.210 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@H]1C ZINC000475040631 561088357 /nfs/dbraw/zinc/08/83/57/561088357.db2.gz ULOVYXDZWQXPLN-HOJAQTOUSA-N 1 3 360.546 2.210 20 0 FEADHO CCN(CCCN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1)CC(F)(F)F ZINC000475159145 561091854 /nfs/dbraw/zinc/09/18/54/561091854.db2.gz XRCIWLJABFOVCR-INIZCTEOSA-N 1 3 364.500 2.361 20 0 FEADHO CCN(CCCN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1)CC(F)(F)F ZINC000475159145 561091855 /nfs/dbraw/zinc/09/18/55/561091855.db2.gz XRCIWLJABFOVCR-INIZCTEOSA-N 1 3 364.500 2.361 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000528286639 562320708 /nfs/dbraw/zinc/32/07/08/562320708.db2.gz GSHOZEUUMYYOHT-OALUTQOASA-N 1 3 366.550 2.146 20 0 FEADHO Cc1cc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ncc1Cl ZINC000528318252 562322355 /nfs/dbraw/zinc/32/23/55/562322355.db2.gz XXGFHLVDTUXVQA-UHFFFAOYSA-N 1 3 364.921 2.261 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc4c3OCC4)CC2)CC1 ZINC000529197351 562364124 /nfs/dbraw/zinc/36/41/24/562364124.db2.gz JIFCCFVHGSPDOG-UHFFFAOYSA-N 1 3 358.486 2.302 20 0 FEADHO O=c1[nH]c2ccccc2n1CCCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240352 562403841 /nfs/dbraw/zinc/40/38/41/562403841.db2.gz KYIDAFFLARVEOO-QGZVFWFLSA-N 1 3 358.486 2.223 20 0 FEADHO CC(C)(C)[NH+]1CCC(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000530569167 562416228 /nfs/dbraw/zinc/41/62/28/562416228.db2.gz VBYSKIMPCVUWDQ-NRFANRHFSA-N 1 3 359.514 2.003 20 0 FEADHO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530641653 562418741 /nfs/dbraw/zinc/41/87/41/562418741.db2.gz BGDRHFKNHKFQTO-INIZCTEOSA-N 1 3 374.533 2.276 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C)nn2C2CCN(C)CC2)C1 ZINC000530949146 562429602 /nfs/dbraw/zinc/42/96/02/562429602.db2.gz NBVMCIYULLBDTF-INIZCTEOSA-N 1 3 362.522 2.312 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cc(C)nn2C2CCN(C)CC2)C1 ZINC000530949146 562429603 /nfs/dbraw/zinc/42/96/03/562429603.db2.gz NBVMCIYULLBDTF-INIZCTEOSA-N 1 3 362.522 2.312 20 0 FEADHO CC(C)(C)NC(=O)CN1CCC(C[NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000530952731 562429695 /nfs/dbraw/zinc/42/96/95/562429695.db2.gz CSGSVCBVVOYRKC-UHFFFAOYSA-N 1 3 357.502 2.279 20 0 FEADHO CC(C)(C)NC(=O)CN1CCC(C[NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000530952731 562429696 /nfs/dbraw/zinc/42/96/96/562429696.db2.gz CSGSVCBVVOYRKC-UHFFFAOYSA-N 1 3 357.502 2.279 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000531345418 562442845 /nfs/dbraw/zinc/44/28/45/562442845.db2.gz QBDASXHFZOYBEO-UHFFFAOYSA-N 1 3 368.566 2.392 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000531345418 562442846 /nfs/dbraw/zinc/44/28/46/562442846.db2.gz QBDASXHFZOYBEO-UHFFFAOYSA-N 1 3 368.566 2.392 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000531546672 562449343 /nfs/dbraw/zinc/44/93/43/562449343.db2.gz VHDSPUARFQHZER-WOJBJXKFSA-N 1 3 358.530 2.388 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000531546672 562449344 /nfs/dbraw/zinc/44/93/44/562449344.db2.gz VHDSPUARFQHZER-WOJBJXKFSA-N 1 3 358.530 2.388 20 0 FEADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(N2CCOCC2)c1 ZINC000532450206 562478499 /nfs/dbraw/zinc/47/84/99/562478499.db2.gz WVACAYMGPNAAMZ-LJQANCHMSA-N 1 3 360.546 2.201 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000533812091 562518952 /nfs/dbraw/zinc/51/89/52/562518952.db2.gz NUFBRSLEYCVVAM-APWZRJJASA-N 1 3 353.470 2.050 20 0 FEADHO O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000534524337 562535896 /nfs/dbraw/zinc/53/58/96/562535896.db2.gz NTHWDTMLVYSPKG-INIZCTEOSA-N 1 3 373.526 2.188 20 0 FEADHO CC[C@H](CNC(=O)NCCNc1cc[nH+]cc1)N1CCc2ccccc2C1 ZINC000534524923 562536022 /nfs/dbraw/zinc/53/60/22/562536022.db2.gz VZZWTGMAIBZKDM-HXUWFJFHSA-N 1 3 367.497 2.052 20 0 FEADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000536532874 562578030 /nfs/dbraw/zinc/57/80/30/562578030.db2.gz FNWGESNPFHGKQR-UNMCSNQZSA-N 1 3 374.573 2.066 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000541841257 562621300 /nfs/dbraw/zinc/62/13/00/562621300.db2.gz XTONVKGYNCWHGB-UHFFFAOYSA-N 1 3 368.566 2.297 20 0 FEADHO CC[C@H]1CN(C(=O)NC2CCN(CCc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000669110429 567880541 /nfs/dbraw/zinc/88/05/41/567880541.db2.gz QSICCWWQNBDSEM-ICSRJNTNSA-N 1 3 358.530 2.462 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)c(C)[nH]2)[C@@H](C)C1 ZINC000602547391 567990341 /nfs/dbraw/zinc/99/03/41/567990341.db2.gz YBNFQODFRGAKGK-KBXCAEBGSA-N 1 3 351.491 2.336 20 0 FEADHO COC(=O)c1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[nH]c1C ZINC000602688573 568011630 /nfs/dbraw/zinc/01/16/30/568011630.db2.gz CZOPTVHZAWTEBY-UHFFFAOYSA-N 1 3 371.481 2.226 20 0 FEADHO C[NH+]1CCC(n2cc(NC(=O)NC[C@H]3CCCCN3C3CC3)cn2)CC1 ZINC000637091903 568363218 /nfs/dbraw/zinc/36/32/18/568363218.db2.gz TUTINYFBLNGMKA-GOSISDBHSA-N 1 3 360.506 2.288 20 0 FEADHO OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826509385 608511984 /nfs/dbraw/zinc/51/19/84/608511984.db2.gz UKVYSGZPZPWIKU-HKUYNNGSSA-N 1 3 370.501 2.071 20 0 FEADHO OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826509385 608511985 /nfs/dbraw/zinc/51/19/85/608511985.db2.gz UKVYSGZPZPWIKU-HKUYNNGSSA-N 1 3 370.501 2.071 20 0 FEADHO OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826509385 608511986 /nfs/dbraw/zinc/51/19/86/608511986.db2.gz UKVYSGZPZPWIKU-HKUYNNGSSA-N 1 3 370.501 2.071 20 0 FEADHO OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826509385 608511987 /nfs/dbraw/zinc/51/19/87/608511987.db2.gz UKVYSGZPZPWIKU-HKUYNNGSSA-N 1 3 370.501 2.071 20 0 FEADHO CSC[C@@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000563000303 674833349 /nfs/dbraw/zinc/83/33/49/674833349.db2.gz KBMRJYWDCDSNKR-MOPGFXCFSA-N 1 3 364.555 2.229 20 0 FEADHO O[C@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)COc1ccc(Cl)cc1 ZINC000563881469 674949560 /nfs/dbraw/zinc/94/95/60/674949560.db2.gz JGNNMKSWKLVTTE-MAUKXSAKSA-N 1 3 368.905 2.170 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C[C@@H]3CCCO3)CC2)CC1 ZINC000564098721 674973246 /nfs/dbraw/zinc/97/32/46/674973246.db2.gz XJPWGHUKHRXIJE-APWZRJJASA-N 1 3 351.535 2.257 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](O)c3ccsc3)CC2)CC1 ZINC000816931051 675087594 /nfs/dbraw/zinc/08/75/94/675087594.db2.gz MFVLYJHKCHXFIK-SFHVURJKSA-N 1 3 365.543 2.094 20 0 FEADHO C[NH+](C)[C@@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000063149934 670405018 /nfs/dbraw/zinc/40/50/18/670405018.db2.gz QEQGEAGSOFNFEC-IBGZPJMESA-N 1 3 360.571 2.455 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000570191112 670675782 /nfs/dbraw/zinc/67/57/82/670675782.db2.gz UJYVUXIAOVFJJC-MAUKXSAKSA-N 1 3 350.482 2.460 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000570191112 670675787 /nfs/dbraw/zinc/67/57/87/670675787.db2.gz UJYVUXIAOVFJJC-MAUKXSAKSA-N 1 3 350.482 2.460 20 0 FEADHO CCC[NH+]1CCN(c2ccccc2CNCC(C)(C)S(C)(=O)=O)CC1 ZINC000088739711 670693068 /nfs/dbraw/zinc/69/30/68/670693068.db2.gz KABRZEUPVWJFRX-UHFFFAOYSA-N 1 3 367.559 2.131 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000565607574 675136304 /nfs/dbraw/zinc/13/63/04/675136304.db2.gz JWSDTQLTZPQNFV-ZIFCJYIRSA-N 1 3 351.535 2.114 20 0 FEADHO CN(CCCN(C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)CC[NH+](C)C ZINC000571359054 670861919 /nfs/dbraw/zinc/86/19/19/670861919.db2.gz JFYCZCDHIZHYGN-GOSISDBHSA-N 1 3 366.937 2.261 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000572944255 671062914 /nfs/dbraw/zinc/06/29/14/671062914.db2.gz JUWCFXJKRCUMIF-RVZJWNSFSA-N 1 3 364.515 2.081 20 0 FEADHO NC(C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C(F)(F)F ZINC000574199923 671213681 /nfs/dbraw/zinc/21/36/81/671213681.db2.gz FSTHFJORGAIJAI-NVXWUHKLSA-N 1 3 355.404 2.391 20 0 FEADHO NC(C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C(F)(F)F ZINC000574199923 671213685 /nfs/dbraw/zinc/21/36/85/671213685.db2.gz FSTHFJORGAIJAI-NVXWUHKLSA-N 1 3 355.404 2.391 20 0 FEADHO CN(CCCN(C)[C@H]1CCN(c2cccc(Cl)c2)C1=O)CC[NH+](C)C ZINC000575876748 671328204 /nfs/dbraw/zinc/32/82/04/671328204.db2.gz LPSVWPXQAUTZRM-SFHVURJKSA-N 1 3 366.937 2.261 20 0 FEADHO CCCCCCN(C)CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000121981761 671960971 /nfs/dbraw/zinc/96/09/71/671960971.db2.gz ONXHUKFISSSBNF-MOPGFXCFSA-N 1 3 353.551 2.383 20 0 FEADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCOc1ccc(Cl)cc1 ZINC000583203718 672073633 /nfs/dbraw/zinc/07/36/33/672073633.db2.gz HIEKEZOILNWREO-HZPDHXFCSA-N 1 3 365.905 2.157 20 0 FEADHO CN(C)C[C@H](NC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000612990428 676105571 /nfs/dbraw/zinc/10/55/71/676105571.db2.gz QYDKQJMONPALOZ-HOTGVXAUSA-N 1 3 350.894 2.384 20 0 FEADHO COCC[N@H+](C)CCCNC[C@@H](O)c1ccc(F)c(Br)c1 ZINC000818953519 675246071 /nfs/dbraw/zinc/24/60/71/675246071.db2.gz JPEGNDFONKFOIO-OAHLLOKOSA-N 1 3 363.271 2.180 20 0 FEADHO COCC[N@@H+](C)CCCNC[C@@H](O)c1ccc(F)c(Br)c1 ZINC000818953519 675246073 /nfs/dbraw/zinc/24/60/73/675246073.db2.gz JPEGNDFONKFOIO-OAHLLOKOSA-N 1 3 363.271 2.180 20 0 FEADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819003245 675251746 /nfs/dbraw/zinc/25/17/46/675251746.db2.gz CAFOPPRDGJAWIX-MLGOLLRUSA-N 1 3 374.312 2.204 20 0 FEADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)COc1ccc(Br)cc1 ZINC000567160371 675271819 /nfs/dbraw/zinc/27/18/19/675271819.db2.gz DPWXPIDERKLDKC-MRXNPFEDSA-N 1 3 369.303 2.405 20 0 FEADHO Cc1cc(NC(=O)[C@@H](N)CC(F)F)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000567824889 675327039 /nfs/dbraw/zinc/32/70/39/675327039.db2.gz IXLJILPMDHEYIV-INIZCTEOSA-N 1 3 354.445 2.446 20 0 FEADHO CC[C@H](C[C@@H](C)CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568195234 675357487 /nfs/dbraw/zinc/35/74/87/675357487.db2.gz ADWJSSXTNGTWJV-SJLPKXTDSA-N 1 3 353.551 2.096 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](OC)[C@@H](C)C3)CC2)CC1 ZINC000568228710 675360219 /nfs/dbraw/zinc/36/02/19/675360219.db2.gz HSMYOZNQKJMIIW-LPHOPBHVSA-N 1 3 351.535 2.066 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](OC)[C@H](C)C3)CC2)CC1 ZINC000568228712 675360227 /nfs/dbraw/zinc/36/02/27/675360227.db2.gz HSMYOZNQKJMIIW-VQIMIIECSA-N 1 3 351.535 2.066 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(CCOC)CCC3)CC2)CC1 ZINC000568648091 675389213 /nfs/dbraw/zinc/38/92/13/675389213.db2.gz TXHIOXJUQRLMDL-UHFFFAOYSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000605404406 675812773 /nfs/dbraw/zinc/81/27/73/675812773.db2.gz HKZUJQZZQYNKBG-ZWKOTPCHSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000605404406 675812775 /nfs/dbraw/zinc/81/27/75/675812775.db2.gz HKZUJQZZQYNKBG-ZWKOTPCHSA-N 1 3 351.535 2.258 20 0 FEADHO C[NH+]1CCC2(CC1)CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CCO2 ZINC000830638175 677051688 /nfs/dbraw/zinc/05/16/88/677051688.db2.gz UINCPMHHDAEHMU-INIZCTEOSA-N 1 3 353.507 2.040 20 0 FEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1coc(C(F)(F)F)n1 ZINC000635464246 677099673 /nfs/dbraw/zinc/09/96/73/677099673.db2.gz HGLNZCNFFHQJAB-GFCCVEGCSA-N 1 3 362.396 2.182 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)c1cnc(C[NH3+])nc1)c1ccccc1Cl ZINC000638049387 677138641 /nfs/dbraw/zinc/13/86/41/677138641.db2.gz DUIKKWXFTFFVEV-INIZCTEOSA-N 1 3 361.877 2.402 20 0 FEADHO CN(C)C[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000638662969 677148631 /nfs/dbraw/zinc/14/86/31/677148631.db2.gz CNGXNPWFLJAVHV-BBRMVZONSA-N 1 3 374.312 2.481 20 0 FEADHO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Nc1ccnn1CCN(C)C ZINC000640170417 677174557 /nfs/dbraw/zinc/17/45/57/677174557.db2.gz BFUBMDGMNKXSQZ-HZPDHXFCSA-N 1 3 350.511 2.029 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647171748 677296764 /nfs/dbraw/zinc/29/67/64/677296764.db2.gz VAVZIQTXJHIOKV-GASCZTMLSA-N 1 3 371.522 2.321 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647171748 677296765 /nfs/dbraw/zinc/29/67/65/677296765.db2.gz VAVZIQTXJHIOKV-GASCZTMLSA-N 1 3 371.522 2.321 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647308671 677300189 /nfs/dbraw/zinc/30/01/89/677300189.db2.gz SPZRLOAWXQNHIJ-ROUUACIJSA-N 1 3 365.543 2.149 20 0 FEADHO COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc(OC)c1O ZINC000650725308 677387435 /nfs/dbraw/zinc/38/74/35/677387435.db2.gz XSZQBRHTAZQWKQ-XHSDSOJGSA-N 1 3 350.459 2.270 20 0 FEADHO COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc(OC)c1O ZINC000650725307 677387487 /nfs/dbraw/zinc/38/74/87/677387487.db2.gz XSZQBRHTAZQWKQ-OAGGEKHMSA-N 1 3 350.459 2.270 20 0 FEADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348149 677480964 /nfs/dbraw/zinc/48/09/64/677480964.db2.gz VZQOXNLALUIATC-HVMFNXBNSA-N 1 3 351.535 2.242 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](OC(C)C)C3)CC2)CC1 ZINC000655157055 677625992 /nfs/dbraw/zinc/62/59/92/677625992.db2.gz WKGLKQGOYYXVLJ-LJQANCHMSA-N 1 3 351.535 2.209 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655931923 677693506 /nfs/dbraw/zinc/69/35/06/677693506.db2.gz QMDZDBVDVXYZGD-ZFWWWQNUSA-N 1 3 358.408 2.040 20 0 FEADHO N[C@@H]1CN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC[C@H]1F ZINC000659444942 678178095 /nfs/dbraw/zinc/17/80/95/678178095.db2.gz JLRCBEHWYWPXCK-HZPDHXFCSA-N 1 3 354.495 2.041 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1c(F)cccc1F ZINC000663741774 678783321 /nfs/dbraw/zinc/78/33/21/678783321.db2.gz JUWSYHWGXIRDMS-AWEZNQCLSA-N 1 3 356.461 2.079 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1c(F)cccc1F ZINC000663741774 678783323 /nfs/dbraw/zinc/78/33/23/678783323.db2.gz JUWSYHWGXIRDMS-AWEZNQCLSA-N 1 3 356.461 2.079 20 0 FEADHO CCc1nc([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cs1 ZINC000664084646 678829738 /nfs/dbraw/zinc/82/97/38/678829738.db2.gz ZCQXFWGYXZSFKT-KBPBESRZSA-N 1 3 355.552 2.338 20 0 FEADHO CCc1nc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cs1 ZINC000664084646 678829740 /nfs/dbraw/zinc/82/97/40/678829740.db2.gz ZCQXFWGYXZSFKT-KBPBESRZSA-N 1 3 355.552 2.338 20 0 FEADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCC2C[NH2+]C2)CC1 ZINC000667670009 679120952 /nfs/dbraw/zinc/12/09/52/679120952.db2.gz GWHCZTOYVBWMLC-UHFFFAOYSA-N 1 3 352.866 2.154 20 0 FEADHO Cc1ncsc1CCN1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974607613 679963555 /nfs/dbraw/zinc/96/35/55/679963555.db2.gz VGGRXOWHTTZVIU-INMHGKMJSA-N 1 3 364.559 2.161 20 0 FEADHO Cc1ncsc1CCN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974607613 679963560 /nfs/dbraw/zinc/96/35/60/679963560.db2.gz VGGRXOWHTTZVIU-INMHGKMJSA-N 1 3 364.559 2.161 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(CCc3csc(C)n3)C2)CC[N@@H+]1C ZINC001028552974 680376099 /nfs/dbraw/zinc/37/60/99/680376099.db2.gz XGYFEERRTWNTPO-BPQIPLTHSA-N 1 3 364.559 2.162 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(CCc3csc(C)n3)C2)CC[N@H+]1C ZINC001028552974 680376101 /nfs/dbraw/zinc/37/61/01/680376101.db2.gz XGYFEERRTWNTPO-BPQIPLTHSA-N 1 3 364.559 2.162 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc(Cl)n1 ZINC000842514953 680951553 /nfs/dbraw/zinc/95/15/53/680951553.db2.gz KGLFDNDITIKXFA-ZFWWWQNUSA-N 1 3 350.894 2.424 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3CCc2ccns2)CC[N@@H+]1C ZINC001049488196 681033429 /nfs/dbraw/zinc/03/34/29/681033429.db2.gz XQYUTXQIPJTCLD-VDHUWJSZSA-N 1 3 362.543 2.091 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3CCc2ccns2)CC[N@H+]1C ZINC001049488196 681033430 /nfs/dbraw/zinc/03/34/30/681033430.db2.gz XQYUTXQIPJTCLD-VDHUWJSZSA-N 1 3 362.543 2.091 20 0 FEADHO CN(C[C@@](C)(O)C[N@H+](C)CC[C@@H]1CCCCN1C)C(=O)OC(C)(C)C ZINC000844301307 681049134 /nfs/dbraw/zinc/04/91/34/681049134.db2.gz VHMJCBZXOFXFMF-LPHOPBHVSA-N 1 3 357.539 2.411 20 0 FEADHO CN(C[C@@](C)(O)C[N@@H+](C)CC[C@@H]1CCCCN1C)C(=O)OC(C)(C)C ZINC000844301307 681049136 /nfs/dbraw/zinc/04/91/36/681049136.db2.gz VHMJCBZXOFXFMF-LPHOPBHVSA-N 1 3 357.539 2.411 20 0 FEADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000847007012 681319866 /nfs/dbraw/zinc/31/98/66/681319866.db2.gz ALSBBNKUOAKITD-YESZJQIVSA-N 1 3 357.539 2.314 20 0 FEADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000847007012 681319870 /nfs/dbraw/zinc/31/98/70/681319870.db2.gz ALSBBNKUOAKITD-YESZJQIVSA-N 1 3 357.539 2.314 20 0 FEADHO [NH2+]=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1cccc(OC(F)(F)F)c1 ZINC000849082916 681650871 /nfs/dbraw/zinc/65/08/71/681650871.db2.gz QOCUHJVTFKWBGY-JSGCOSHPSA-N 1 3 358.364 2.385 20 0 FEADHO [NH2+]=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1cccc(OC(F)(F)F)c1 ZINC000849082917 681650987 /nfs/dbraw/zinc/65/09/87/681650987.db2.gz QOCUHJVTFKWBGY-OCCSQVGLSA-N 1 3 358.364 2.385 20 0 FEADHO Cc1nnc(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)s1 ZINC000849084897 681651555 /nfs/dbraw/zinc/65/15/55/681651555.db2.gz AGRJNJMOSIVRDD-UHFFFAOYSA-N 1 3 358.515 2.168 20 0 FEADHO Cc1cc(CNC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sn1 ZINC000960007139 682019781 /nfs/dbraw/zinc/01/97/81/682019781.db2.gz BAFIHVCISHYXTC-HLLBOEOZSA-N 1 3 350.532 2.262 20 0 FEADHO Cc1cc(CNC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sn1 ZINC000960007139 682019789 /nfs/dbraw/zinc/01/97/89/682019789.db2.gz BAFIHVCISHYXTC-HLLBOEOZSA-N 1 3 350.532 2.262 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC3SCCS3)CC2)CC1 ZINC000856218250 682755043 /nfs/dbraw/zinc/75/50/43/682755043.db2.gz HAANDPKAPMHDDI-UHFFFAOYSA-N 1 3 371.616 2.495 20 0 FEADHO CN1CCC(NC(=S)N(CCC[NH+](C)C)Cc2cccs2)CC1 ZINC000920307337 683331841 /nfs/dbraw/zinc/33/18/41/683331841.db2.gz GRGWRHQABNNXEA-UHFFFAOYSA-N 1 3 354.589 2.471 20 0 FEADHO C[C@H](NC[C@H]1C[NH2+]CCC1(F)F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000925787231 684585545 /nfs/dbraw/zinc/58/55/45/684585545.db2.gz ZHPYDVPRDPRTGF-CGTJXYLNSA-N 1 3 353.457 2.110 20 0 FEADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000925787231 684585548 /nfs/dbraw/zinc/58/55/48/684585548.db2.gz ZHPYDVPRDPRTGF-CGTJXYLNSA-N 1 3 353.457 2.110 20 0 FEADHO CC(C)(O)C[NH+]1CCC(NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000877046158 686317486 /nfs/dbraw/zinc/31/74/86/686317486.db2.gz JKGNQNMEJLCHGA-MRXNPFEDSA-N 1 3 355.523 2.211 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cc(Cl)n1 ZINC000877344144 686358903 /nfs/dbraw/zinc/35/89/03/686358903.db2.gz VATONPGOXVCKBE-IRXDYDNUSA-N 1 3 358.873 2.264 20 0 FEADHO CC(C)N1CC[NH+](CCCN2CCn3cnc(C(F)(F)F)c3C2)CC1 ZINC000880270819 687025555 /nfs/dbraw/zinc/02/55/55/687025555.db2.gz GPMJCUSWQQVKRC-UHFFFAOYSA-N 1 3 359.440 2.134 20 0 FEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891750468 689101420 /nfs/dbraw/zinc/10/14/20/689101420.db2.gz PFWPLCUZOLATDH-ZBFHGGJFSA-N 1 3 354.445 2.051 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)N(C)C)cc1 ZINC000895057285 689650244 /nfs/dbraw/zinc/65/02/44/689650244.db2.gz GASHIURTAMKSHS-SZMVWBNQSA-N 1 3 362.543 2.357 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)N(C)C)cc1 ZINC000895057285 689650246 /nfs/dbraw/zinc/65/02/46/689650246.db2.gz GASHIURTAMKSHS-SZMVWBNQSA-N 1 3 362.543 2.357 20 0 FEADHO CC(C)(C)OC(=O)N1CCN(CCCCC[NH2+]Cc2c[nH]cn2)CC1 ZINC000896916160 689950344 /nfs/dbraw/zinc/95/03/44/689950344.db2.gz ULWFHLCEZHAOLA-UHFFFAOYSA-N 1 3 351.495 2.222 20 0 FEADHO CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H](c2ccsc2)N(C)C)CC1 ZINC000900136046 690474904 /nfs/dbraw/zinc/47/49/04/690474904.db2.gz FWGOMQBRRAGDLM-SFHVURJKSA-N 1 3 366.575 2.273 20 0 FEADHO CCN(CC)[C@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccsc1 ZINC000900193090 690482082 /nfs/dbraw/zinc/48/20/82/690482082.db2.gz ZFBWUMSBCBQHES-SJLPKXTDSA-N 1 3 353.532 2.094 20 0 FEADHO CCN(CC)[C@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1ccsc1 ZINC000900193090 690482085 /nfs/dbraw/zinc/48/20/85/690482085.db2.gz ZFBWUMSBCBQHES-SJLPKXTDSA-N 1 3 353.532 2.094 20 0 FEADHO CN(c1cccc(C[NH2+][C@H]2CCN(C)[C@H]3CCC[C@H]32)c1)S(C)(=O)=O ZINC000903424453 690892470 /nfs/dbraw/zinc/89/24/70/690892470.db2.gz VQGARVBQDCSWBH-BZSNNMDCSA-N 1 3 351.516 2.045 20 0 FEADHO FC(F)(F)c1ccnc([C@@H]2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903827923 690976135 /nfs/dbraw/zinc/97/61/35/690976135.db2.gz ZTFORTVCKNEJBF-IOASZLSFSA-N 1 3 356.392 2.053 20 0 FEADHO Cc1c(C[C@@H](C[NH3+])CNCc2ccc(Br)cc2)cnn1C ZINC000903923461 690986615 /nfs/dbraw/zinc/98/66/15/690986615.db2.gz UWCCPWYJMDAPRI-AWEZNQCLSA-N 1 3 351.292 2.398 20 0 FEADHO C[C@@](O)(CNC1CC[NH+](C[C@@H]2CCCO2)CC1)C(F)(F)C(F)(F)F ZINC000905112900 691070368 /nfs/dbraw/zinc/07/03/68/691070368.db2.gz XWKKSPCASJWTBJ-QWHCGFSZSA-N 1 3 360.367 2.168 20 0 FEADHO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1ccc([C@H]2CCCCN2CC)cn1 ZINC001164616514 719019034 /nfs/dbraw/zinc/01/90/34/719019034.db2.gz KWSZBPIYGPJVDD-AKHDSKFASA-N 1 3 372.513 2.358 20 0 FEADHO Cn1cc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000050796959 540414374 /nfs/dbraw/zinc/41/43/74/540414374.db2.gz VIWZQMXKHCCTOE-UHFFFAOYSA-N 1 3 368.525 2.396 20 0 FEADHO Cc1cccc(O[C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050802812 540415482 /nfs/dbraw/zinc/41/54/82/540415482.db2.gz HBRCRPPHYCPXSL-QGZVFWFLSA-N 1 3 359.514 2.437 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCc3cccc(F)c3)CC2)CC1 ZINC000051242658 540427915 /nfs/dbraw/zinc/42/79/15/540427915.db2.gz DBKXELVYHDXFTB-UHFFFAOYSA-N 1 3 362.493 2.226 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCc3cccs3)CC2)CC1 ZINC000051239226 540427928 /nfs/dbraw/zinc/42/79/28/540427928.db2.gz HUWVXBZVNQAWTI-UHFFFAOYSA-N 1 3 350.532 2.148 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000052498622 540468664 /nfs/dbraw/zinc/46/86/64/540468664.db2.gz NMQSXYFBDGMEFJ-MJGOQNOKSA-N 1 3 360.502 2.226 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000052498622 540468670 /nfs/dbraw/zinc/46/86/70/540468670.db2.gz NMQSXYFBDGMEFJ-MJGOQNOKSA-N 1 3 360.502 2.226 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000067782015 541512725 /nfs/dbraw/zinc/51/27/25/541512725.db2.gz ZJHWDKAQYQROSS-SFHVURJKSA-N 1 3 374.529 2.313 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000067782015 541512730 /nfs/dbraw/zinc/51/27/30/541512730.db2.gz ZJHWDKAQYQROSS-SFHVURJKSA-N 1 3 374.529 2.313 20 0 FEADHO C[N@H+](CCNC(=O)CC1(N2CCOCC2)CCCC1)C1CCCCC1 ZINC000073086506 541916785 /nfs/dbraw/zinc/91/67/85/541916785.db2.gz DRYXGYVWVORZAN-UHFFFAOYSA-N 1 3 351.535 2.402 20 0 FEADHO C[N@@H+](CCNC(=O)CC1(N2CCOCC2)CCCC1)C1CCCCC1 ZINC000073086506 541916791 /nfs/dbraw/zinc/91/67/91/541916791.db2.gz DRYXGYVWVORZAN-UHFFFAOYSA-N 1 3 351.535 2.402 20 0 FEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000073206521 541929792 /nfs/dbraw/zinc/92/97/92/541929792.db2.gz GJPNKYUJVWOAMQ-HKUYNNGSSA-N 1 3 374.529 2.232 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H](C[N@H+](C)CC)C3)cc2)CC1 ZINC000074181685 542049464 /nfs/dbraw/zinc/04/94/64/542049464.db2.gz CBBWDJRZUYVDMZ-SFHVURJKSA-N 1 3 358.530 2.242 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H](C[N@@H+](C)CC)C3)cc2)CC1 ZINC000074181685 542049468 /nfs/dbraw/zinc/04/94/68/542049468.db2.gz CBBWDJRZUYVDMZ-SFHVURJKSA-N 1 3 358.530 2.242 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc(C(C)C)no1 ZINC000074263729 542060192 /nfs/dbraw/zinc/06/01/92/542060192.db2.gz JGARYRPBMVHNBM-MRXNPFEDSA-N 1 3 365.522 2.356 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc(C(C)C)no1 ZINC000074263729 542060197 /nfs/dbraw/zinc/06/01/97/542060197.db2.gz JGARYRPBMVHNBM-MRXNPFEDSA-N 1 3 365.522 2.356 20 0 FEADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(-n2cccn2)cc1 ZINC000080590360 542595406 /nfs/dbraw/zinc/59/54/06/542595406.db2.gz OBAKJWWECUFDMY-QGZVFWFLSA-N 1 3 372.517 2.068 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCCC(=O)NC2CC2)CC1 ZINC000088682493 542754403 /nfs/dbraw/zinc/75/44/03/542754403.db2.gz RVDDDFZTIJGSDT-UHFFFAOYSA-N 1 3 358.530 2.367 20 0 FEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000093138982 542912162 /nfs/dbraw/zinc/91/21/62/542912162.db2.gz QOAWOJMKTBOBFI-IEBWSBKVSA-N 1 3 359.518 2.470 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000093405170 542930541 /nfs/dbraw/zinc/93/05/41/542930541.db2.gz YQAJNECDSPBFPV-DOTOQJQBSA-N 1 3 358.534 2.270 20 0 FEADHO Cc1sc(-c2ccco2)nc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103212394 543097158 /nfs/dbraw/zinc/09/71/58/543097158.db2.gz SXLQMKNZXJLRIZ-UHFFFAOYSA-N 1 3 350.488 2.277 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[N@H+](C)C1CC1 ZINC000105266809 543167958 /nfs/dbraw/zinc/16/79/58/543167958.db2.gz IHOPYZCLBHMCES-OAHLLOKOSA-N 1 3 350.482 2.382 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[N@@H+](C)C1CC1 ZINC000105266809 543167960 /nfs/dbraw/zinc/16/79/60/543167960.db2.gz IHOPYZCLBHMCES-OAHLLOKOSA-N 1 3 350.482 2.382 20 0 FEADHO COc1cccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)N2CCCC2)c1 ZINC000108541890 543293371 /nfs/dbraw/zinc/29/33/71/543293371.db2.gz HFJXLYHQIUJZIQ-PXNSSMCTSA-N 1 3 374.529 2.473 20 0 FEADHO COc1cccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)N2CCCC2)c1 ZINC000108541890 543293374 /nfs/dbraw/zinc/29/33/74/543293374.db2.gz HFJXLYHQIUJZIQ-PXNSSMCTSA-N 1 3 374.529 2.473 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCNc3ccccc3)CC2)CC1 ZINC000109171280 543316480 /nfs/dbraw/zinc/31/64/80/543316480.db2.gz ZJRJGDSBACAICU-UHFFFAOYSA-N 1 3 373.545 2.346 20 0 FEADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCOCC1 ZINC000114832232 543538836 /nfs/dbraw/zinc/53/88/36/543538836.db2.gz XEGLEGRZHUHZEU-IBGZPJMESA-N 1 3 374.529 2.061 20 0 FEADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)CCOCC1 ZINC000114832234 543539011 /nfs/dbraw/zinc/53/90/11/543539011.db2.gz XEGLEGRZHUHZEU-LJQANCHMSA-N 1 3 374.529 2.061 20 0 FEADHO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1)C1CC1 ZINC000118103204 543645615 /nfs/dbraw/zinc/64/56/15/543645615.db2.gz DRMRDYDXZOOIAN-LJQANCHMSA-N 1 3 372.513 2.067 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4c(F)cccc4C3)CC2)CC1 ZINC000123697859 543777775 /nfs/dbraw/zinc/77/77/75/543777775.db2.gz BZFBUHPGJCTXPH-UHFFFAOYSA-N 1 3 374.504 2.452 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nnc3n2CCCCC3)[C@H](C)C1 ZINC000126599415 543946249 /nfs/dbraw/zinc/94/62/49/543946249.db2.gz GAVUHOWHLLVILQ-QZTJIDSGSA-N 1 3 363.550 2.274 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nnc3n2CCCCC3)[C@H](C)C1 ZINC000126599415 543946251 /nfs/dbraw/zinc/94/62/51/543946251.db2.gz GAVUHOWHLLVILQ-QZTJIDSGSA-N 1 3 363.550 2.274 20 0 FEADHO CN(CCC(F)(F)F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127505361 543997297 /nfs/dbraw/zinc/99/72/97/543997297.db2.gz WYJIEGKMAFVNNV-UHFFFAOYSA-N 1 3 350.429 2.139 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000133611484 544276717 /nfs/dbraw/zinc/27/67/17/544276717.db2.gz DBDPVGHKPIRFLM-CQSZACIVSA-N 1 3 352.445 2.242 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)CN1Cc1ccccc1 ZINC000136012439 544365191 /nfs/dbraw/zinc/36/51/91/544365191.db2.gz FYZUTEZNFZTCQP-AEFFLSMTSA-N 1 3 370.501 2.229 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000136751064 544378706 /nfs/dbraw/zinc/37/87/06/544378706.db2.gz UURXVXFOYKGVHG-QUCCMNQESA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000136751064 544378707 /nfs/dbraw/zinc/37/87/07/544378707.db2.gz UURXVXFOYKGVHG-QUCCMNQESA-N 1 3 374.529 2.253 20 0 FEADHO OC[C@H]1CCN(Cc2ccccc2)C[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000154057677 544858932 /nfs/dbraw/zinc/85/89/32/544858932.db2.gz NEBSLKXNDOBYCB-IFMALSPDSA-N 1 3 357.542 2.333 20 0 FEADHO OC[C@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000154057677 544858936 /nfs/dbraw/zinc/85/89/36/544858936.db2.gz NEBSLKXNDOBYCB-IFMALSPDSA-N 1 3 357.542 2.333 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc2)CC1 ZINC000154264787 544883133 /nfs/dbraw/zinc/88/31/33/544883133.db2.gz KSVJGTRLKYEGTL-PZJWPPBQSA-N 1 3 370.541 2.385 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2)CC1 ZINC000154264787 544883137 /nfs/dbraw/zinc/88/31/37/544883137.db2.gz KSVJGTRLKYEGTL-PZJWPPBQSA-N 1 3 370.541 2.385 20 0 FEADHO CCCN1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)CC1 ZINC000552333653 674202650 /nfs/dbraw/zinc/20/26/50/674202650.db2.gz KZJZSGYNIZROOJ-UHFFFAOYSA-N 1 3 373.950 2.391 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C3CCOCC3)CC2)CC1 ZINC000553517023 674267449 /nfs/dbraw/zinc/26/74/49/674267449.db2.gz JERIMHWNPCYZHW-MRXNPFEDSA-N 1 3 351.535 2.114 20 0 FEADHO C[C@H]1CCSCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000188021715 328061111 /nfs/dbraw/zinc/06/11/11/328061111.db2.gz XFSBMXSSYITAEH-HNNXBMFYSA-N 1 3 354.564 2.082 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCCN2CCC(C)CC2)cc1 ZINC000189416822 328146771 /nfs/dbraw/zinc/14/67/71/328146771.db2.gz QPJLQLHJQANFOK-UHFFFAOYSA-N 1 3 374.529 2.315 20 0 FEADHO CC[C@]1(CO)CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000189622968 328158668 /nfs/dbraw/zinc/15/86/68/328158668.db2.gz RMCFZGXJSLEIMU-OAQYLSRUSA-N 1 3 359.514 2.136 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccnn3C(C)(C)C)CC2)CC1 ZINC000190558247 328216019 /nfs/dbraw/zinc/21/60/19/328216019.db2.gz YIRKJOOCWFEJMK-UHFFFAOYSA-N 1 3 362.522 2.318 20 0 FEADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000191605479 328273590 /nfs/dbraw/zinc/27/35/90/328273590.db2.gz PXDUEJZSHGZSTH-INIZCTEOSA-N 1 3 360.502 2.084 20 0 FEADHO C[C@@H](CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[N@H+](C)C1CC1 ZINC000192383948 328316729 /nfs/dbraw/zinc/31/67/29/328316729.db2.gz RACGSNBVEYGLOC-FXAWDEMLSA-N 1 3 374.529 2.059 20 0 FEADHO C[C@@H](CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[N@@H+](C)C1CC1 ZINC000192383948 328316731 /nfs/dbraw/zinc/31/67/31/328316731.db2.gz RACGSNBVEYGLOC-FXAWDEMLSA-N 1 3 374.529 2.059 20 0 FEADHO COc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)N2CCOCC2)cc1 ZINC000192598982 328327968 /nfs/dbraw/zinc/32/79/68/328327968.db2.gz VGESMLZWXFSQJE-QYYYHEGRSA-N 1 3 359.514 2.283 20 0 FEADHO COCCN1CCC(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000195142533 328457947 /nfs/dbraw/zinc/45/79/47/328457947.db2.gz PEZJVPDTDTVSEZ-ROUUACIJSA-N 1 3 368.566 2.155 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000077752114 325011507 /nfs/dbraw/zinc/01/15/07/325011507.db2.gz BOGGGQQREBIURO-UHFFFAOYSA-N 1 3 360.424 2.340 20 0 FEADHO C[C@@H](NC1(CNC(=O)[C@H]2CC23CC[NH2+]CC3)CCOCC1)c1ccccc1 ZINC000237413084 328515157 /nfs/dbraw/zinc/51/51/57/328515157.db2.gz YLRUIGNWUVLOBP-IEBWSBKVSA-N 1 3 371.525 2.392 20 0 FEADHO C[NH+](C)[C@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000078600113 325053092 /nfs/dbraw/zinc/05/30/92/325053092.db2.gz QWDRYACOTWEBLO-FQEVSTJZSA-N 1 3 358.530 2.141 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000237483679 328517611 /nfs/dbraw/zinc/51/76/11/328517611.db2.gz IXAQCOFPSYIXDC-RBUKOAKNSA-N 1 3 358.530 2.093 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1cccs1 ZINC000080603652 325136336 /nfs/dbraw/zinc/13/63/36/325136336.db2.gz QMOIYDJWZXDXNL-INIZCTEOSA-N 1 3 352.548 2.348 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1cccs1 ZINC000080603652 325136339 /nfs/dbraw/zinc/13/63/39/325136339.db2.gz QMOIYDJWZXDXNL-INIZCTEOSA-N 1 3 352.548 2.348 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000081444509 325176378 /nfs/dbraw/zinc/17/63/78/325176378.db2.gz HHSZGROFKRNVJS-FPOVZHCZSA-N 1 3 372.557 2.306 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000081444509 325176383 /nfs/dbraw/zinc/17/63/83/325176383.db2.gz HHSZGROFKRNVJS-FPOVZHCZSA-N 1 3 372.557 2.306 20 0 FEADHO CCn1nc(C)c(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)c1C ZINC000089481548 325319432 /nfs/dbraw/zinc/31/94/32/325319432.db2.gz NETFPMJAGZXWAJ-KRWDZBQOSA-N 1 3 364.538 2.400 20 0 FEADHO CCn1nc(C)c(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)c1C ZINC000089481548 325319434 /nfs/dbraw/zinc/31/94/34/325319434.db2.gz NETFPMJAGZXWAJ-KRWDZBQOSA-N 1 3 364.538 2.400 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccco1)C[NH+]1CCCCC1 ZINC000119746236 326193983 /nfs/dbraw/zinc/19/39/83/326193983.db2.gz SGZSXCKSAXZSHB-KRWDZBQOSA-N 1 3 350.507 2.475 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4c(c3)COC4)CC2)CC1 ZINC000122328822 326392753 /nfs/dbraw/zinc/39/27/53/326392753.db2.gz PMSJXOJPACHTCK-UHFFFAOYSA-N 1 3 358.486 2.397 20 0 FEADHO Cc1c(C(=O)N(CCN(C)C)CC[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000122371548 326394241 /nfs/dbraw/zinc/39/42/41/326394241.db2.gz RGLPORHXTHXWOX-UHFFFAOYSA-N 1 3 371.529 2.363 20 0 FEADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc3c(c2)OCCO3)cc1 ZINC000123881495 326444108 /nfs/dbraw/zinc/44/41/08/326444108.db2.gz DGQNNEGZUNAZRL-UHFFFAOYSA-N 1 3 369.465 2.039 20 0 FEADHO CN(c1ccccc1C[NH2+]CC(C)(C)N1CCOCC1)C1CCN(C)CC1 ZINC000132736375 326597347 /nfs/dbraw/zinc/59/73/47/326597347.db2.gz HDFDDPVCLGSEQQ-UHFFFAOYSA-N 1 3 374.573 2.417 20 0 FEADHO COc1ccc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1NC(C)=O ZINC000154412741 326759268 /nfs/dbraw/zinc/75/92/68/326759268.db2.gz DSUJNFVMCXLCCS-INIZCTEOSA-N 1 3 362.518 2.332 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@H](C)O1 ZINC000162883079 327037239 /nfs/dbraw/zinc/03/72/39/327037239.db2.gz QQAROWJCGWILEH-CALCHBBNSA-N 1 3 363.502 2.363 20 0 FEADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCc2c(C)noc2C)CC1 ZINC000164851888 327075106 /nfs/dbraw/zinc/07/51/06/327075106.db2.gz CIIUKRSUXISGTB-UHFFFAOYSA-N 1 3 364.534 2.394 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)CC3CC[NH2+]CC3)CC2)cc1 ZINC000166217053 327080994 /nfs/dbraw/zinc/08/09/94/327080994.db2.gz HPGNDLQVBQVDSQ-UHFFFAOYSA-N 1 3 359.514 2.413 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCCN(c3cnn(C)c3)C2)[C@H](C)C1 ZINC000166519631 327082072 /nfs/dbraw/zinc/08/20/72/327082072.db2.gz NGONPSIWRURPQO-GGPKGHCWSA-N 1 3 363.550 2.116 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCCN(c3cnn(C)c3)C2)[C@H](C)C1 ZINC000166519631 327082074 /nfs/dbraw/zinc/08/20/74/327082074.db2.gz NGONPSIWRURPQO-GGPKGHCWSA-N 1 3 363.550 2.116 20 0 FEADHO CSCC[C@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000168966021 327087670 /nfs/dbraw/zinc/08/76/70/327087670.db2.gz TWYQUVWTAYENKG-RDJZCZTQSA-N 1 3 365.543 2.083 20 0 FEADHO C[C@H](O)c1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000171057766 327114845 /nfs/dbraw/zinc/11/48/45/327114845.db2.gz BZHBCHBQYAXEEI-INIZCTEOSA-N 1 3 374.529 2.098 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000175919738 327421277 /nfs/dbraw/zinc/42/12/77/327421277.db2.gz FMFBQXKAAMZZCU-HXUWFJFHSA-N 1 3 356.514 2.139 20 0 FEADHO C[C@H](CC(=O)NCc1ccccc1CN1CCC(O)CC1)C1CC[NH2+]CC1 ZINC000178832688 327610291 /nfs/dbraw/zinc/61/02/91/327610291.db2.gz XVIFJRKUIZPWGF-QGZVFWFLSA-N 1 3 373.541 2.285 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000261748929 328816664 /nfs/dbraw/zinc/81/66/64/328816664.db2.gz MKUWLSLOWMQOAF-UYAOXDASSA-N 1 3 359.514 2.398 20 0 FEADHO CC[NH+](CC)CC1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000262308314 328858159 /nfs/dbraw/zinc/85/81/59/328858159.db2.gz YOLYIOIIGQABAL-SQGPQFPESA-N 1 3 351.535 2.099 20 0 FEADHO CN(CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1)Cc1ccccc1 ZINC000264263649 329005861 /nfs/dbraw/zinc/00/58/61/329005861.db2.gz FOSJBGHNRLIIOI-UHFFFAOYSA-N 1 3 374.529 2.063 20 0 FEADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2c(OC)cccc2OC)CC1 ZINC000264646446 329044191 /nfs/dbraw/zinc/04/41/91/329044191.db2.gz WZDLBBZPTSRXTC-KRWDZBQOSA-N 1 3 366.502 2.250 20 0 FEADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2c(OC)cccc2OC)CC1 ZINC000264646446 329044192 /nfs/dbraw/zinc/04/41/92/329044192.db2.gz WZDLBBZPTSRXTC-KRWDZBQOSA-N 1 3 366.502 2.250 20 0 FEADHO C[NH+](C)Cc1cccc(NC(=O)N2CCN(CC3CCOCC3)CC2)c1 ZINC000265485604 329131837 /nfs/dbraw/zinc/13/18/37/329131837.db2.gz SYPVGTRSQXFNJT-UHFFFAOYSA-N 1 3 360.502 2.324 20 0 FEADHO COCCCN(C)CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000266482616 329227689 /nfs/dbraw/zinc/22/76/89/329227689.db2.gz ILTROZJPDMQSQU-UHFFFAOYSA-N 1 3 362.518 2.050 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000269269836 329502415 /nfs/dbraw/zinc/50/24/15/329502415.db2.gz RPTCKDRXQLOPQX-YQQQUEKLSA-N 1 3 359.514 2.206 20 0 FEADHO CCC[C@H](N)C(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000272338286 329771764 /nfs/dbraw/zinc/77/17/64/329771764.db2.gz OLXJNRGIGXZNDI-INIZCTEOSA-N 1 3 351.491 2.159 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccccc1CCN(C)C ZINC000275688503 330078167 /nfs/dbraw/zinc/07/81/67/330078167.db2.gz QYBNQHXWQKMMPY-KRWDZBQOSA-N 1 3 350.507 2.269 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000275702829 330079443 /nfs/dbraw/zinc/07/94/43/330079443.db2.gz SUKXORVCKRLOJM-VQTJNVASSA-N 1 3 374.529 2.290 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000275719776 330081149 /nfs/dbraw/zinc/08/11/49/330081149.db2.gz SHPYJAXPNJGIIJ-QGZVFWFLSA-N 1 3 374.529 2.110 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000275719776 330081151 /nfs/dbraw/zinc/08/11/51/330081151.db2.gz SHPYJAXPNJGIIJ-QGZVFWFLSA-N 1 3 374.529 2.110 20 0 FEADHO C[C@@H](CCNC(=O)C(=O)Nc1ccccc1CCN(C)C)[NH+]1CCCCC1 ZINC000275878884 330099214 /nfs/dbraw/zinc/09/92/14/330099214.db2.gz QQZRPUYXCJJZIL-KRWDZBQOSA-N 1 3 374.529 2.110 20 0 FEADHO Cc1ccc(NC(=O)CCCN2CCC([NH3+])CC2)c(OCCN(C)C)c1 ZINC000433137969 330272645 /nfs/dbraw/zinc/27/26/45/330272645.db2.gz QJOHKSTYWXOQHW-UHFFFAOYSA-N 1 3 362.518 2.077 20 0 FEADHO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)NC[C@]1(O)CC[N@H+](C)C1 ZINC000623960683 676558507 /nfs/dbraw/zinc/55/85/07/676558507.db2.gz DHUIUNDLMMKLAC-QMTHXVAHSA-N 1 3 351.800 2.341 20 0 FEADHO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000623960683 676558510 /nfs/dbraw/zinc/55/85/10/676558510.db2.gz DHUIUNDLMMKLAC-QMTHXVAHSA-N 1 3 351.800 2.341 20 0 FEADHO CC(C)CO[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000155290286 545506229 /nfs/dbraw/zinc/50/62/29/545506229.db2.gz BATOJDXLJZZRNG-LJQANCHMSA-N 1 3 366.550 2.002 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000477581107 561148516 /nfs/dbraw/zinc/14/85/16/561148516.db2.gz DRHVWVFVFSCFAG-KRWDZBQOSA-N 1 3 355.548 2.393 20 0 FEADHO CN1CCC[C@@H]2C[N@H+](CCCCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000158715536 545889304 /nfs/dbraw/zinc/88/93/04/545889304.db2.gz IXJOBKWFVNCHAM-APWZRJJASA-N 1 3 355.482 2.479 20 0 FEADHO CN1CCC[C@@H]2C[N@@H+](CCCCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000158715536 545889309 /nfs/dbraw/zinc/88/93/09/545889309.db2.gz IXJOBKWFVNCHAM-APWZRJJASA-N 1 3 355.482 2.479 20 0 FEADHO C[N@@H+]1CCC[C@@H]2CN(CCCCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000158715536 545889314 /nfs/dbraw/zinc/88/93/14/545889314.db2.gz IXJOBKWFVNCHAM-APWZRJJASA-N 1 3 355.482 2.479 20 0 FEADHO C[N@H+]1CCC[C@@H]2CN(CCCCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000158715536 545889318 /nfs/dbraw/zinc/88/93/18/545889318.db2.gz IXJOBKWFVNCHAM-APWZRJJASA-N 1 3 355.482 2.479 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000158958734 545909328 /nfs/dbraw/zinc/90/93/28/545909328.db2.gz PNPDZORFTMCIFF-OAQYLSRUSA-N 1 3 372.557 2.356 20 0 FEADHO [NH3+]C[C@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CC1 ZINC000159233779 545934533 /nfs/dbraw/zinc/93/45/33/545934533.db2.gz WLHMTMJZEZULFY-RDJZCZTQSA-N 1 3 355.404 2.295 20 0 FEADHO COc1cnccc1N1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000478462007 561167389 /nfs/dbraw/zinc/16/73/89/561167389.db2.gz MCMNZWDMADFWAS-LJQANCHMSA-N 1 3 360.502 2.249 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000478934755 561178401 /nfs/dbraw/zinc/17/84/01/561178401.db2.gz ZRJCVTLJDTYBGN-MOPGFXCFSA-N 1 3 374.529 2.395 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000478934755 561178402 /nfs/dbraw/zinc/17/84/02/561178402.db2.gz ZRJCVTLJDTYBGN-MOPGFXCFSA-N 1 3 374.529 2.395 20 0 FEADHO CC(C)[C@@H](CNC(=O)c1csc(CC[NH3+])n1)N1CCc2ccccc2C1 ZINC000479209007 561184771 /nfs/dbraw/zinc/18/47/71/561184771.db2.gz LVBYKLULICKKHG-GOSISDBHSA-N 1 3 372.538 2.457 20 0 FEADHO CC[NH+](CC)CCCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171326685 546204288 /nfs/dbraw/zinc/20/42/88/546204288.db2.gz QGLAMPCGTYFWGT-HDICACEKSA-N 1 3 368.566 2.249 20 0 FEADHO [NH3+]CCCN(CCC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1 ZINC000479769422 561196767 /nfs/dbraw/zinc/19/67/67/561196767.db2.gz UPMJLDMOCQVGTN-UHFFFAOYSA-N 1 3 368.481 2.254 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176035465 546393573 /nfs/dbraw/zinc/39/35/73/546393573.db2.gz PETAKTUQNFTGEA-ROUUACIJSA-N 1 3 362.518 2.299 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc(F)cc3F)CC2)CC1 ZINC000176133612 546412036 /nfs/dbraw/zinc/41/20/36/546412036.db2.gz SHSFFFMXUCRSSA-UHFFFAOYSA-N 1 3 351.441 2.182 20 0 FEADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@]1(N(C)C)CCSC1)CC(C)C ZINC000481017979 561223049 /nfs/dbraw/zinc/22/30/49/561223049.db2.gz DICDZRLLLAFQIY-SJLPKXTDSA-N 1 3 358.596 2.479 20 0 FEADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCc2cccnc2)CC1 ZINC000179449151 546955786 /nfs/dbraw/zinc/95/57/86/546955786.db2.gz PBHHHCHXARQONV-UHFFFAOYSA-N 1 3 358.530 2.328 20 0 FEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000179650607 546991836 /nfs/dbraw/zinc/99/18/36/546991836.db2.gz DNPLMWQBRXRPNL-MRXNPFEDSA-N 1 3 358.490 2.087 20 0 FEADHO C[C@H](NC[C@H]1COC2(CCOCC2)O1)c1cccc(OCC[NH+](C)C)c1 ZINC000179977562 547035773 /nfs/dbraw/zinc/03/57/73/547035773.db2.gz SGRLOLBHKHBBKZ-LPHOPBHVSA-N 1 3 364.486 2.200 20 0 FEADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@H](O)COc1ccccc1Cl ZINC000180926664 547211492 /nfs/dbraw/zinc/21/14/92/547211492.db2.gz PBPHITORPOIIDE-KRWDZBQOSA-N 1 3 369.937 2.038 20 0 FEADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000183461921 547665056 /nfs/dbraw/zinc/66/50/56/547665056.db2.gz QDHCFKANCZXEOO-UYAOXDASSA-N 1 3 371.529 2.424 20 0 FEADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000183461921 547665058 /nfs/dbraw/zinc/66/50/58/547665058.db2.gz QDHCFKANCZXEOO-UYAOXDASSA-N 1 3 371.529 2.424 20 0 FEADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000484939099 561308988 /nfs/dbraw/zinc/30/89/88/561308988.db2.gz RLDBRAUABWZHEY-WMLDXEAASA-N 1 3 355.486 2.487 20 0 FEADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCN1C(=O)NC(C)(C)C1=O ZINC000184747944 547873959 /nfs/dbraw/zinc/87/39/59/547873959.db2.gz KKUNRDBIASIBJA-HZPDHXFCSA-N 1 3 372.513 2.063 20 0 FEADHO C[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185762955 548032073 /nfs/dbraw/zinc/03/20/73/548032073.db2.gz ONYYKPUOGAEPKW-JKSUJKDBSA-N 1 3 362.518 2.094 20 0 FEADHO C[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185762955 548032078 /nfs/dbraw/zinc/03/20/78/548032078.db2.gz ONYYKPUOGAEPKW-JKSUJKDBSA-N 1 3 362.518 2.094 20 0 FEADHO C[C@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000185762955 548032082 /nfs/dbraw/zinc/03/20/82/548032082.db2.gz ONYYKPUOGAEPKW-JKSUJKDBSA-N 1 3 362.518 2.094 20 0 FEADHO CC(C)N1CCC([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000186032528 548075774 /nfs/dbraw/zinc/07/57/74/548075774.db2.gz OAKAHZSRKSAVFV-UHFFFAOYSA-N 1 3 351.516 2.189 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000485790860 561328138 /nfs/dbraw/zinc/32/81/38/561328138.db2.gz UFFHFENAYNJLDT-OIISXLGYSA-N 1 3 353.470 2.052 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@]2(N)C[C@H](OCC)C2(C)C)CC1 ZINC000186723885 548180492 /nfs/dbraw/zinc/18/04/92/548180492.db2.gz QQMVNCIJTXZDGJ-FXAWDEMLSA-N 1 3 353.551 2.489 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@]2(N)C[C@H](OCC)C2(C)C)CC1 ZINC000186723885 548180495 /nfs/dbraw/zinc/18/04/95/548180495.db2.gz QQMVNCIJTXZDGJ-FXAWDEMLSA-N 1 3 353.551 2.489 20 0 FEADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000486381896 561345739 /nfs/dbraw/zinc/34/57/39/561345739.db2.gz SKRZCGVUVWVISU-KBXCAEBGSA-N 1 3 373.501 2.039 20 0 FEADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000486381896 561345740 /nfs/dbraw/zinc/34/57/40/561345740.db2.gz SKRZCGVUVWVISU-KBXCAEBGSA-N 1 3 373.501 2.039 20 0 FEADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNC[C@@H]1CCCO1 ZINC000236895155 548786700 /nfs/dbraw/zinc/78/67/00/548786700.db2.gz DSVNTLCHHXKWOZ-UXHICEINSA-N 1 3 359.514 2.126 20 0 FEADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNC[C@@H]1CCCO1 ZINC000236895155 548786706 /nfs/dbraw/zinc/78/67/06/548786706.db2.gz DSVNTLCHHXKWOZ-UXHICEINSA-N 1 3 359.514 2.126 20 0 FEADHO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](N)c3ccccc3)cc2)CC1 ZINC000236964126 548792087 /nfs/dbraw/zinc/79/20/87/548792087.db2.gz CJFDGXYKZWNSBB-FQEVSTJZSA-N 1 3 352.482 2.463 20 0 FEADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000237192197 548806321 /nfs/dbraw/zinc/80/63/21/548806321.db2.gz QXEASKRTADELRG-FQEVSTJZSA-N 1 3 359.514 2.126 20 0 FEADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000237192197 548806326 /nfs/dbraw/zinc/80/63/26/548806326.db2.gz QXEASKRTADELRG-FQEVSTJZSA-N 1 3 359.514 2.126 20 0 FEADHO O=C(N[C@@H]1CCC[NH2+]C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237793578 548853621 /nfs/dbraw/zinc/85/36/21/548853621.db2.gz ODGFYQKGEWNOCP-NVXWUHKLSA-N 1 3 355.404 2.309 20 0 FEADHO CN1CCN(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000245698891 548978805 /nfs/dbraw/zinc/97/88/05/548978805.db2.gz LJRXBXAGRXPCSD-DKUWSORSSA-N 1 3 356.558 2.409 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000247324447 549318684 /nfs/dbraw/zinc/31/86/84/549318684.db2.gz IHKNXLNMUVENSI-PZJWPPBQSA-N 1 3 372.557 2.387 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000247324447 549318689 /nfs/dbraw/zinc/31/86/89/549318689.db2.gz IHKNXLNMUVENSI-PZJWPPBQSA-N 1 3 372.557 2.387 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248406989 549430176 /nfs/dbraw/zinc/43/01/76/549430176.db2.gz TVBFIGGYDSOKHU-ZHALLVOQSA-N 1 3 366.550 2.049 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248406989 549430180 /nfs/dbraw/zinc/43/01/80/549430180.db2.gz TVBFIGGYDSOKHU-ZHALLVOQSA-N 1 3 366.550 2.049 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000249186238 549566606 /nfs/dbraw/zinc/56/66/06/549566606.db2.gz OCIMZSLNLSABFV-VQIMIIECSA-N 1 3 372.513 2.162 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000249465802 549594091 /nfs/dbraw/zinc/59/40/91/549594091.db2.gz SENWKWQJZIGIGG-RXVVDRJESA-N 1 3 373.541 2.298 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NCc2cccs2)[C@@H](C)C1 ZINC000249478613 549595222 /nfs/dbraw/zinc/59/52/22/549595222.db2.gz WIGMGIFOVMYZBO-JZXOWHBKSA-N 1 3 367.559 2.479 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000252000030 549660611 /nfs/dbraw/zinc/66/06/11/549660611.db2.gz WJGGLYUUEMVGIL-IAGOWNOFSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000252000030 549660612 /nfs/dbraw/zinc/66/06/12/549660612.db2.gz WJGGLYUUEMVGIL-IAGOWNOFSA-N 1 3 354.539 2.002 20 0 FEADHO Cc1ccc(C)c(OCCN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261825862 549759801 /nfs/dbraw/zinc/75/98/01/549759801.db2.gz KPXSYMRXNCHPLJ-MOPGFXCFSA-N 1 3 359.514 2.262 20 0 FEADHO C[C@@H](NC1(CNC(=O)CC[C@@H]2CC[NH2+]C2)CCOCC1)c1ccccc1 ZINC000261885843 549765908 /nfs/dbraw/zinc/76/59/08/549765908.db2.gz SJHYBRLFPNRQJT-QZTJIDSGSA-N 1 3 359.514 2.392 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)C2([NH3+])CCCCC2)CC1 ZINC000262161313 549794205 /nfs/dbraw/zinc/79/42/05/549794205.db2.gz PEJKSCUAQUTHEO-UHFFFAOYSA-N 1 3 358.530 2.102 20 0 FEADHO CCC[C@](C)(N)C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262172530 549795256 /nfs/dbraw/zinc/79/52/56/549795256.db2.gz XPVHOGSCCVKMIS-FPOVZHCZSA-N 1 3 361.530 2.408 20 0 FEADHO C[C@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)N(C)Cc1ccccc1 ZINC000262769604 549848054 /nfs/dbraw/zinc/84/80/54/549848054.db2.gz MFDJYPZYIYPGJY-SJLPKXTDSA-N 1 3 355.486 2.058 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262842447 549855002 /nfs/dbraw/zinc/85/50/02/549855002.db2.gz UCVOXMLURVAQPZ-SFHVURJKSA-N 1 3 373.476 2.151 20 0 FEADHO C[C@@H]1CN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC[N@@H+](C2CCC2)C1 ZINC000490378562 561432039 /nfs/dbraw/zinc/43/20/39/561432039.db2.gz TUOFNFFBIOYYNI-ROUUACIJSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H]1CN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC[N@H+](C2CCC2)C1 ZINC000490378562 561432040 /nfs/dbraw/zinc/43/20/40/561432040.db2.gz TUOFNFFBIOYYNI-ROUUACIJSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H]1CN(CCOCCOc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490994958 561441414 /nfs/dbraw/zinc/44/14/14/561441414.db2.gz MSZQHEVSCBLQRC-TZIWHRDSSA-N 1 3 361.530 2.040 20 0 FEADHO C[C@@H]1C[N@H+](CCOCCOc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000490994958 561441415 /nfs/dbraw/zinc/44/14/15/561441415.db2.gz MSZQHEVSCBLQRC-TZIWHRDSSA-N 1 3 361.530 2.040 20 0 FEADHO C[C@@H]1C[N@@H+](CCOCCOc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000490994958 561441416 /nfs/dbraw/zinc/44/14/16/561441416.db2.gz MSZQHEVSCBLQRC-TZIWHRDSSA-N 1 3 361.530 2.040 20 0 FEADHO COCCOc1ccc([C@@H](C)NCCC[N@H+](C)CCOC)cc1OC ZINC000268811213 550118870 /nfs/dbraw/zinc/11/88/70/550118870.db2.gz KXDAQWZHLDGVQG-MRXNPFEDSA-N 1 3 354.491 2.339 20 0 FEADHO COCCOc1ccc([C@@H](C)NCCC[N@@H+](C)CCOC)cc1OC ZINC000268811213 550118872 /nfs/dbraw/zinc/11/88/72/550118872.db2.gz KXDAQWZHLDGVQG-MRXNPFEDSA-N 1 3 354.491 2.339 20 0 FEADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1(O)CCN(C)CC1 ZINC000268990021 550141360 /nfs/dbraw/zinc/14/13/60/550141360.db2.gz MEQBBGCNOHPJOH-HNNXBMFYSA-N 1 3 367.921 2.123 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000269196223 550166757 /nfs/dbraw/zinc/16/67/57/550166757.db2.gz LNCADSGFNYSSKI-HKUYNNGSSA-N 1 3 358.530 2.335 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H](N)C(C)C)cc1OC ZINC000269228270 550170074 /nfs/dbraw/zinc/17/00/74/550170074.db2.gz GHEYSHXGYRBEQX-SFHVURJKSA-N 1 3 351.491 2.015 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H]2CCC[C@]2(C)CO)CC1 ZINC000493412110 561455920 /nfs/dbraw/zinc/45/59/20/561455920.db2.gz MYACGHFHDNBJQJ-RBBKRZOGSA-N 1 3 373.541 2.216 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H]2CCC[C@]2(C)CO)CC1 ZINC000493412110 561455921 /nfs/dbraw/zinc/45/59/21/561455921.db2.gz MYACGHFHDNBJQJ-RBBKRZOGSA-N 1 3 373.541 2.216 20 0 FEADHO CN(C)CCn1cc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)ccc1=O ZINC000270262692 550257687 /nfs/dbraw/zinc/25/76/87/550257687.db2.gz RXIXFRCWQUVNEL-UHFFFAOYSA-N 1 3 368.481 2.258 20 0 FEADHO CC(C)[N@H+](C)CCCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000270849305 550313699 /nfs/dbraw/zinc/31/36/99/550313699.db2.gz JMZKJXDEXBDVOI-UHFFFAOYSA-N 1 3 361.530 2.351 20 0 FEADHO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000270849305 550313702 /nfs/dbraw/zinc/31/37/02/550313702.db2.gz JMZKJXDEXBDVOI-UHFFFAOYSA-N 1 3 361.530 2.351 20 0 FEADHO CN(C)CCOc1ccccc1N1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000271357984 550368551 /nfs/dbraw/zinc/36/85/51/550368551.db2.gz ZPAAYOPIAZRLJY-IBGZPJMESA-N 1 3 360.546 2.233 20 0 FEADHO CN(C)CCOc1ccccc1N1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000271357984 550368553 /nfs/dbraw/zinc/36/85/53/550368553.db2.gz ZPAAYOPIAZRLJY-IBGZPJMESA-N 1 3 360.546 2.233 20 0 FEADHO C[N@@H+]1CCCC[C@H]1CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271456504 550377139 /nfs/dbraw/zinc/37/71/39/550377139.db2.gz WFINBXZUFQUJSH-VXKWHMMOSA-N 1 3 356.558 2.363 20 0 FEADHO C[N@H+]1CCCC[C@H]1CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271456504 550377142 /nfs/dbraw/zinc/37/71/42/550377142.db2.gz WFINBXZUFQUJSH-VXKWHMMOSA-N 1 3 356.558 2.363 20 0 FEADHO CSCC[C@@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000272489552 550452687 /nfs/dbraw/zinc/45/26/87/550452687.db2.gz SVFLPADVBHKHHI-WMLDXEAASA-N 1 3 351.516 2.426 20 0 FEADHO CSCC[C@@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000272489552 550452689 /nfs/dbraw/zinc/45/26/89/550452689.db2.gz SVFLPADVBHKHHI-WMLDXEAASA-N 1 3 351.516 2.426 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000273924268 550516073 /nfs/dbraw/zinc/51/60/73/550516073.db2.gz BPLJEGQVYUIWDS-OAQYLSRUSA-N 1 3 372.557 2.356 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NCc2cccc(C[NH+](C)C)c2)CCCO1 ZINC000277407847 550666891 /nfs/dbraw/zinc/66/68/91/550666891.db2.gz LLXPDZKCRFCDRU-KRWDZBQOSA-N 1 3 362.518 2.048 20 0 FEADHO C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)N(C)C1CC1 ZINC000277773959 550712506 /nfs/dbraw/zinc/71/25/06/550712506.db2.gz TUXRWHVQADENOL-MRXNPFEDSA-N 1 3 369.513 2.324 20 0 FEADHO COC[C@H](C)OC[C@H](O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000278057598 550744195 /nfs/dbraw/zinc/74/41/95/550744195.db2.gz JZXZQXPTADHNSP-FMWKFLBASA-N 1 3 364.530 2.384 20 0 FEADHO COC[C@H](C)OC[C@H](O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000278057598 550744197 /nfs/dbraw/zinc/74/41/97/550744197.db2.gz JZXZQXPTADHNSP-FMWKFLBASA-N 1 3 364.530 2.384 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279103715 550854493 /nfs/dbraw/zinc/85/44/93/550854493.db2.gz XPSFNKUTHHKGGA-KBAYOESNSA-N 1 3 367.497 2.127 20 0 FEADHO CN(CCN1CCCC1)C(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000496034233 561491942 /nfs/dbraw/zinc/49/19/42/561491942.db2.gz REGFSTDDOHKNMS-UHFFFAOYSA-N 1 3 369.513 2.280 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)NCC[N@H+](C)C2CC2)N(C)C)cc1 ZINC000496411822 561493939 /nfs/dbraw/zinc/49/39/39/561493939.db2.gz OSSFPJKVPZIAGM-IBGZPJMESA-N 1 3 362.518 2.470 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)NCC[N@@H+](C)C2CC2)N(C)C)cc1 ZINC000496411822 561493940 /nfs/dbraw/zinc/49/39/40/561493940.db2.gz OSSFPJKVPZIAGM-IBGZPJMESA-N 1 3 362.518 2.470 20 0 FEADHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000281462413 551100598 /nfs/dbraw/zinc/10/05/98/551100598.db2.gz VITPIPRQAGTWNV-UHFFFAOYSA-N 1 3 372.513 2.325 20 0 FEADHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000281462413 551100599 /nfs/dbraw/zinc/10/05/99/551100599.db2.gz VITPIPRQAGTWNV-UHFFFAOYSA-N 1 3 372.513 2.325 20 0 FEADHO COCCCN1CCC([NH2+]Cc2ccnn2-c2ccccc2OC)CC1 ZINC000281723191 551135049 /nfs/dbraw/zinc/13/50/49/551135049.db2.gz QQHSKBGAWJRVND-UHFFFAOYSA-N 1 3 358.486 2.471 20 0 FEADHO COCC[NH+]1CCC(NCc2cccc(I)c2)CC1 ZINC000283996845 551464745 /nfs/dbraw/zinc/46/47/45/551464745.db2.gz PBRXEGABFJVEBR-UHFFFAOYSA-N 1 3 374.266 2.492 20 0 FEADHO CN(C)CCOC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498338142 561522593 /nfs/dbraw/zinc/52/25/93/561522593.db2.gz YWMVCOMRIGIBHI-HXUWFJFHSA-N 1 3 373.541 2.468 20 0 FEADHO CN(C)CCOC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498338142 561522594 /nfs/dbraw/zinc/52/25/94/561522594.db2.gz YWMVCOMRIGIBHI-HXUWFJFHSA-N 1 3 373.541 2.468 20 0 FEADHO CN1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000284992699 551685181 /nfs/dbraw/zinc/68/51/81/551685181.db2.gz GMENGCWDTGULTJ-QGZVFWFLSA-N 1 3 351.441 2.308 20 0 FEADHO CN1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000284992699 551685184 /nfs/dbraw/zinc/68/51/84/551685184.db2.gz GMENGCWDTGULTJ-QGZVFWFLSA-N 1 3 351.441 2.308 20 0 FEADHO CN1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000284992699 551685186 /nfs/dbraw/zinc/68/51/86/551685186.db2.gz GMENGCWDTGULTJ-QGZVFWFLSA-N 1 3 351.441 2.308 20 0 FEADHO CCC[C@@]1(NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCOC1 ZINC000285639202 551787295 /nfs/dbraw/zinc/78/72/95/551787295.db2.gz RRZFPXPADUJAOK-OAQYLSRUSA-N 1 3 359.514 2.447 20 0 FEADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000286955966 551944476 /nfs/dbraw/zinc/94/44/76/551944476.db2.gz DEPGERGGYMDPPB-YLJYHZDGSA-N 1 3 374.529 2.395 20 0 FEADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1OCCN(C)C ZINC000287062980 551958556 /nfs/dbraw/zinc/95/85/56/551958556.db2.gz AYXGZJGIELIIDP-PKOBYXMFSA-N 1 3 374.529 2.395 20 0 FEADHO COc1ccc(CN(C)CCCN(C)CC[NH+](C)C)c(OC)c1OC ZINC000290105812 552428290 /nfs/dbraw/zinc/42/82/90/552428290.db2.gz HXVQAUFWDIKDGS-UHFFFAOYSA-N 1 3 353.507 2.028 20 0 FEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000290142844 552433800 /nfs/dbraw/zinc/43/38/00/552433800.db2.gz MQODNRAELMAQNN-RTWAWAEBSA-N 1 3 372.557 2.089 20 0 FEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000290274274 552452484 /nfs/dbraw/zinc/45/24/84/552452484.db2.gz YTWYFPQXHGKMPN-UXHICEINSA-N 1 3 359.514 2.464 20 0 FEADHO CC(C)COCCN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000501036661 561588238 /nfs/dbraw/zinc/58/82/38/561588238.db2.gz NGDZWTWVTFZCDA-UHFFFAOYSA-N 1 3 353.551 2.363 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000291474601 552628355 /nfs/dbraw/zinc/62/83/55/552628355.db2.gz JRTYMBRWTGTPHU-SFHVURJKSA-N 1 3 365.905 2.048 20 0 FEADHO CN(C)CCNC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000501360712 561595903 /nfs/dbraw/zinc/59/59/03/561595903.db2.gz DFQYJBYMLVYRHF-UHFFFAOYSA-N 1 3 361.490 2.184 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnnn2Cc2ccccc2)C[C@@H](C)O1 ZINC000291994472 552682434 /nfs/dbraw/zinc/68/24/34/552682434.db2.gz UFZFDIDTFCGPGQ-QZTJIDSGSA-N 1 3 357.502 2.305 20 0 FEADHO COc1cc(C)c(C[C@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1OC ZINC000502250158 561614962 /nfs/dbraw/zinc/61/49/62/561614962.db2.gz DNSVWSPYHWHHPA-WMZOPIPTSA-N 1 3 350.503 2.380 20 0 FEADHO COc1nccnc1CNCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000296431920 553158930 /nfs/dbraw/zinc/15/89/30/553158930.db2.gz NGLKKBDVBBSDIL-UHFFFAOYSA-N 1 3 369.513 2.173 20 0 FEADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000502790829 561625668 /nfs/dbraw/zinc/62/56/68/561625668.db2.gz APWCEPXCYDLRLD-AZUAARDMSA-N 1 3 358.530 2.287 20 0 FEADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000502790829 561625669 /nfs/dbraw/zinc/62/56/69/561625669.db2.gz APWCEPXCYDLRLD-AZUAARDMSA-N 1 3 358.530 2.287 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4c(n3)CCC4)CC2)CC1 ZINC000296784346 553211192 /nfs/dbraw/zinc/21/11/92/553211192.db2.gz JRVWPMPQOHOAPT-UHFFFAOYSA-N 1 3 357.502 2.250 20 0 FEADHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn2ccnc12 ZINC000296869217 553222687 /nfs/dbraw/zinc/22/26/87/553222687.db2.gz LNJHDFJVXFTAGN-UHFFFAOYSA-N 1 3 370.501 2.323 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000297374150 553284781 /nfs/dbraw/zinc/28/47/81/553284781.db2.gz LLEYUNZPZCNDML-UHFFFAOYSA-N 1 3 370.501 2.362 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000297649660 553320109 /nfs/dbraw/zinc/32/01/09/553320109.db2.gz IGDJYFQBJNODBZ-KRWDZBQOSA-N 1 3 350.532 2.405 20 0 FEADHO C[C@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCN(C2CC2)C1 ZINC000297716909 553329441 /nfs/dbraw/zinc/32/94/41/553329441.db2.gz YLCFGDIWOUVDAY-QGZVFWFLSA-N 1 3 374.529 2.253 20 0 FEADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)[C@@H]1SC ZINC000298500834 553432968 /nfs/dbraw/zinc/43/29/68/553432968.db2.gz QJQAPSAVQRJYMW-QRVBRYPASA-N 1 3 364.559 2.092 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N(C)Cc2cccs2)[C@@H](C)C1 ZINC000299331531 553549103 /nfs/dbraw/zinc/54/91/03/553549103.db2.gz OHJZNSSLAMLMBP-FUHWJXTLSA-N 1 3 367.559 2.433 20 0 FEADHO CCN1CCN(CCC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000505266494 561668873 /nfs/dbraw/zinc/66/88/73/561668873.db2.gz AZGFTAKJSUWDBW-UHFFFAOYSA-N 1 3 364.578 2.129 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000509411962 561798446 /nfs/dbraw/zinc/79/84/46/561798446.db2.gz YEZHLDZCHDVNEC-ICSRJNTNSA-N 1 3 356.514 2.072 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000332541692 554467630 /nfs/dbraw/zinc/46/76/30/554467630.db2.gz XHTIJDHCWZVWDP-PSBWJHGTSA-N 1 3 366.550 2.035 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000333753277 554639181 /nfs/dbraw/zinc/63/91/81/554639181.db2.gz ZIGSMENBGMRDRY-NEWSRXKRSA-N 1 3 359.518 2.076 20 0 FEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333827505 554647183 /nfs/dbraw/zinc/64/71/83/554647183.db2.gz ITKBDNOXWFYUPJ-SZVBFZGTSA-N 1 3 351.535 2.384 20 0 FEADHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC3CCN(Cc4cccs4)CC3)C[C@H]12 ZINC000333858588 554650086 /nfs/dbraw/zinc/65/00/86/554650086.db2.gz YUQLOTASFHODDV-RYQLBKOJSA-N 1 3 362.543 2.339 20 0 FEADHO COCc1ccccc1/C=C(\C)C[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000510905777 561850140 /nfs/dbraw/zinc/85/01/40/561850140.db2.gz ITFWASDVINYUMV-XEYRCQSKSA-N 1 3 359.514 2.413 20 0 FEADHO C[C@H](CNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)N1CCC[C@@H](C)C1 ZINC000333908895 554654894 /nfs/dbraw/zinc/65/48/94/554654894.db2.gz DLJDHNFWDMFBJH-ZAWLATJESA-N 1 3 366.550 2.035 20 0 FEADHO C[C@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N1CCC(C)CC1 ZINC000360776908 554889108 /nfs/dbraw/zinc/88/91/08/554889108.db2.gz HYMCFTJOROWLHX-MJGOQNOKSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000362175298 554954224 /nfs/dbraw/zinc/95/42/24/554954224.db2.gz BRXKEHISWBXWBE-LMMKCTJWSA-N 1 3 350.551 2.480 20 0 FEADHO CCCN1CCN(C2CCN(C(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000363397172 555094772 /nfs/dbraw/zinc/09/47/72/555094772.db2.gz HEJQFJYHDBICHB-OTWHNJEPSA-N 1 3 364.578 2.266 20 0 FEADHO CCCN1CCN(C2CCN(C(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000363397172 555094773 /nfs/dbraw/zinc/09/47/73/555094773.db2.gz HEJQFJYHDBICHB-OTWHNJEPSA-N 1 3 364.578 2.266 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000363402081 555096182 /nfs/dbraw/zinc/09/61/82/555096182.db2.gz DRAGKLHVRBZWSJ-VQTJNVASSA-N 1 3 371.529 2.173 20 0 FEADHO C[C@@H](CCNC(=O)N1CCCN(C2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000363850884 555199228 /nfs/dbraw/zinc/19/92/28/555199228.db2.gz AFSFDBJZBKPLNE-SFHVURJKSA-N 1 3 366.550 2.147 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCO[C@@H](C(C)(C)C)C3)CC2)CC1 ZINC000363955377 555221042 /nfs/dbraw/zinc/22/10/42/555221042.db2.gz SQLAWUPHBBEYKR-GOSISDBHSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000363996048 555230249 /nfs/dbraw/zinc/23/02/49/555230249.db2.gz ILRNLSFKJXFPEF-SFHVURJKSA-N 1 3 368.566 2.129 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000363996048 555230251 /nfs/dbraw/zinc/23/02/51/555230251.db2.gz ILRNLSFKJXFPEF-SFHVURJKSA-N 1 3 368.566 2.129 20 0 FEADHO COC(=O)c1ccnc(N2CCC[N@H+](CC[C@H]3CCCCN3C)CC2)c1 ZINC000364407225 555307732 /nfs/dbraw/zinc/30/77/32/555307732.db2.gz HYBCFVROQZDTDP-GOSISDBHSA-N 1 3 360.502 2.255 20 0 FEADHO COC(=O)c1ccnc(N2CCC[N@@H+](CC[C@H]3CCCCN3C)CC2)c1 ZINC000364407225 555307734 /nfs/dbraw/zinc/30/77/34/555307734.db2.gz HYBCFVROQZDTDP-GOSISDBHSA-N 1 3 360.502 2.255 20 0 FEADHO COC1(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)CCOCC1 ZINC000365436313 555575493 /nfs/dbraw/zinc/57/54/93/555575493.db2.gz ZBRNFGWCOISCSJ-QZTJIDSGSA-N 1 3 354.535 2.393 20 0 FEADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CCCCCC1 ZINC000365484795 555587782 /nfs/dbraw/zinc/58/77/82/555587782.db2.gz NGXBDSFMAQOWKF-YDZRNGNQSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CCCCCC1 ZINC000365484795 555587784 /nfs/dbraw/zinc/58/77/84/555587784.db2.gz NGXBDSFMAQOWKF-YDZRNGNQSA-N 1 3 351.535 2.257 20 0 FEADHO CC(C)[NH+](CCCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)C(C)C ZINC000365936060 555705149 /nfs/dbraw/zinc/70/51/49/555705149.db2.gz JZXSFPHQBKDUDG-SFHVURJKSA-N 1 3 368.566 2.390 20 0 FEADHO CCc1csc(CC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)n1 ZINC000513557598 561942788 /nfs/dbraw/zinc/94/27/88/561942788.db2.gz WJEBEQSMMAHFEO-INIZCTEOSA-N 1 3 352.548 2.123 20 0 FEADHO CCc1csc(CC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)n1 ZINC000513557598 561942789 /nfs/dbraw/zinc/94/27/89/561942789.db2.gz WJEBEQSMMAHFEO-INIZCTEOSA-N 1 3 352.548 2.123 20 0 FEADHO CCC[C@H]1CNCCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000514590929 561968499 /nfs/dbraw/zinc/96/84/99/561968499.db2.gz OYJJHDVXOZBYRP-VQTJNVASSA-N 1 3 374.529 2.061 20 0 FEADHO CCC[C@H]1CNCCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000514590929 561968501 /nfs/dbraw/zinc/96/85/01/561968501.db2.gz OYJJHDVXOZBYRP-VQTJNVASSA-N 1 3 374.529 2.061 20 0 FEADHO CCCN1CCN(C2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)CC1 ZINC000367270374 556003977 /nfs/dbraw/zinc/00/39/77/556003977.db2.gz ZLJOMXPIKCQHER-HXUWFJFHSA-N 1 3 353.551 2.412 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)COCc2ccccc2Cl)CCCO1 ZINC000514669052 561973069 /nfs/dbraw/zinc/97/30/69/561973069.db2.gz VXSZFSVWBYXGKV-SJLPKXTDSA-N 1 3 370.921 2.308 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)COCc2ccccc2Cl)CCCO1 ZINC000514669052 561973071 /nfs/dbraw/zinc/97/30/71/561973071.db2.gz VXSZFSVWBYXGKV-SJLPKXTDSA-N 1 3 370.921 2.308 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000514792521 561979941 /nfs/dbraw/zinc/97/99/41/561979941.db2.gz NZCYHRJBSLUBTF-PKOBYXMFSA-N 1 3 371.456 2.333 20 0 FEADHO CN(Cc1c[nH]c2nccnc12)C1CC[NH+](CCc2ccncc2)CC1 ZINC000368193493 556244698 /nfs/dbraw/zinc/24/46/98/556244698.db2.gz MCEMNDHIBBKGMQ-UHFFFAOYSA-N 1 3 350.470 2.443 20 0 FEADHO CSC1(C[NH2+]Cc2c(C)nn(C)c2N2CCCN(C)CC2)CCC1 ZINC000368224468 556252667 /nfs/dbraw/zinc/25/26/67/556252667.db2.gz KCFYBRBRSQODDA-UHFFFAOYSA-N 1 3 351.564 2.246 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NCC[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000515140506 561997983 /nfs/dbraw/zinc/99/79/83/561997983.db2.gz VAQSYCWBHGUGFP-KRWDZBQOSA-N 1 3 359.518 2.340 20 0 FEADHO C[C@H](O)c1ncc(CNCCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000368580322 556352417 /nfs/dbraw/zinc/35/24/17/556352417.db2.gz VBCOOERJMYJXST-HNNXBMFYSA-N 1 3 366.575 2.482 20 0 FEADHO C[N@H+](C[C@H](O)COc1ccccc1F)C1CCN(C2CCOCC2)CC1 ZINC000368876752 556436126 /nfs/dbraw/zinc/43/61/26/556436126.db2.gz RRKMIFQQEMNUOE-SFHVURJKSA-N 1 3 366.477 2.141 20 0 FEADHO C[N@@H+](C[C@H](O)COc1ccccc1F)C1CCN(C2CCOCC2)CC1 ZINC000368876752 556436128 /nfs/dbraw/zinc/43/61/28/556436128.db2.gz RRKMIFQQEMNUOE-SFHVURJKSA-N 1 3 366.477 2.141 20 0 FEADHO CN1CC[C@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)[C@@H]1c1ccccc1 ZINC000515811125 562022428 /nfs/dbraw/zinc/02/24/28/562022428.db2.gz SXAQNEXAQAZPHA-BURNTYAHSA-N 1 3 364.493 2.487 20 0 FEADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369395628 556589728 /nfs/dbraw/zinc/58/97/28/556589728.db2.gz OJXHWHKNLHFNTN-VQTJNVASSA-N 1 3 373.545 2.277 20 0 FEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369395628 556589729 /nfs/dbraw/zinc/58/97/29/556589729.db2.gz OJXHWHKNLHFNTN-VQTJNVASSA-N 1 3 373.545 2.277 20 0 FEADHO CN1CC[C@@H](CNC(=O)NCCC[NH+]2CCCCC2)[C@@H]1c1cccnc1 ZINC000369515130 556616583 /nfs/dbraw/zinc/61/65/83/556616583.db2.gz HGRLAPGHROAGBG-OALUTQOASA-N 1 3 359.518 2.250 20 0 FEADHO CC(C)(CNC(=O)N1CC[NH+]2CCC1CC2)N1CCc2ccccc2C1 ZINC000516199120 562035474 /nfs/dbraw/zinc/03/54/74/562035474.db2.gz OHHGFAYMNBJFAJ-UHFFFAOYSA-N 1 3 356.514 2.313 20 0 FEADHO CO[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000516261651 562038037 /nfs/dbraw/zinc/03/80/37/562038037.db2.gz XJXUWMYUTPLMOA-VAMGGRTRSA-N 1 3 374.529 2.189 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000516634569 562051974 /nfs/dbraw/zinc/05/19/74/562051974.db2.gz QDDWZLBFMPGTIW-BJLQDIEVSA-N 1 3 374.529 2.327 20 0 FEADHO O=C1[C@H](N2CCC(CCC[NH+]3CCCC3)CC2)CCN1C1CCOCC1 ZINC000370951311 557026346 /nfs/dbraw/zinc/02/63/46/557026346.db2.gz WGLQPCFACFVVQJ-HXUWFJFHSA-N 1 3 363.546 2.354 20 0 FEADHO CCN1CCCC[C@H]1C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371095844 557074081 /nfs/dbraw/zinc/07/40/81/557074081.db2.gz XUEBGMFAPKFCAE-FQEVSTJZSA-N 1 3 364.578 2.173 20 0 FEADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000517412576 562089379 /nfs/dbraw/zinc/08/93/79/562089379.db2.gz AOGYLELVFQOGDO-PMACEKPBSA-N 1 3 356.514 2.380 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCCN1CCc1ccccc1 ZINC000371858105 557313016 /nfs/dbraw/zinc/31/30/16/557313016.db2.gz GYOURFGNDZHSJZ-CTNGQTDRSA-N 1 3 370.541 2.477 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CCCN1CCc1ccccc1 ZINC000371858105 557313017 /nfs/dbraw/zinc/31/30/17/557313017.db2.gz GYOURFGNDZHSJZ-CTNGQTDRSA-N 1 3 370.541 2.477 20 0 FEADHO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc3c2CCNC3)CCCCCC1 ZINC000518491061 562112734 /nfs/dbraw/zinc/11/27/34/562112734.db2.gz YFKHYQKMJWGGDT-UHFFFAOYSA-N 1 3 372.513 2.042 20 0 FEADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000372055656 557368385 /nfs/dbraw/zinc/36/83/85/557368385.db2.gz FTMAXRPFASNVJU-CVEARBPZSA-N 1 3 371.572 2.364 20 0 FEADHO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000519766249 562143128 /nfs/dbraw/zinc/14/31/28/562143128.db2.gz XXZPRXZYAULFSD-SFHVURJKSA-N 1 3 363.546 2.165 20 0 FEADHO [NH3+]C1(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)CCC1 ZINC000519707652 562140903 /nfs/dbraw/zinc/14/09/03/562140903.db2.gz DLABVJTWUMTIBL-UHFFFAOYSA-N 1 3 351.878 2.181 20 0 FEADHO O=C(Nc1cccc(CN2CCCCC2)c1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000373349113 557677365 /nfs/dbraw/zinc/67/73/65/557677365.db2.gz RVBLAGHLGNSZDK-AYHJJNSGSA-N 1 3 355.482 2.426 20 0 FEADHO [NH3+]CCc1nc(C(=O)NC2CCN(Cc3cccs3)CC2)cs1 ZINC000373559840 557718182 /nfs/dbraw/zinc/71/81/82/557718182.db2.gz GXLPQPYLBSVPMH-UHFFFAOYSA-N 1 3 350.513 2.100 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373931698 557789996 /nfs/dbraw/zinc/78/99/96/557789996.db2.gz CULAXAUXDUPTQE-IAGOWNOFSA-N 1 3 366.575 2.274 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373931698 557790000 /nfs/dbraw/zinc/79/00/00/557790000.db2.gz CULAXAUXDUPTQE-IAGOWNOFSA-N 1 3 366.575 2.274 20 0 FEADHO COc1ccccc1CCNC(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000374156651 557833453 /nfs/dbraw/zinc/83/34/53/557833453.db2.gz CVCVMOVSNGLTNE-UHFFFAOYSA-N 1 3 359.514 2.162 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000520960255 562166618 /nfs/dbraw/zinc/16/66/18/562166618.db2.gz WIJDJEYTHJXNEG-DLBZAZTESA-N 1 3 361.530 2.382 20 0 FEADHO CC1CCC([NH+]2CCC(N(C)C(=O)[C@H](N)C3CCOCC3)CC2)CC1 ZINC000374593814 557904002 /nfs/dbraw/zinc/90/40/02/557904002.db2.gz NTDMGXLJCOYVCU-XUJQIHCRSA-N 1 3 351.535 2.242 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](C[C@@H]3CCOC3)C2)CC1 ZINC000375012090 557963683 /nfs/dbraw/zinc/96/36/83/557963683.db2.gz JTBFSFKNGNIPDU-MSOLQXFVSA-N 1 3 351.535 2.114 20 0 FEADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CCCCN1C1CCCC1 ZINC000375427451 558025003 /nfs/dbraw/zinc/02/50/03/558025003.db2.gz TZVQJNIOOQITMT-YLJYHZDGSA-N 1 3 363.546 2.401 20 0 FEADHO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000376134481 558131323 /nfs/dbraw/zinc/13/13/23/558131323.db2.gz WOGLEPKWBRBTDK-HZPDHXFCSA-N 1 3 350.894 2.489 20 0 FEADHO O=C(c1cc(Cl)c[nH]1)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000376134481 558131324 /nfs/dbraw/zinc/13/13/24/558131324.db2.gz WOGLEPKWBRBTDK-HZPDHXFCSA-N 1 3 350.894 2.489 20 0 FEADHO O=C(c1cc(Cl)c[nH]1)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000376134481 558131325 /nfs/dbraw/zinc/13/13/25/558131325.db2.gz WOGLEPKWBRBTDK-HZPDHXFCSA-N 1 3 350.894 2.489 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ncccc3C)CC2)CC1 ZINC000522015515 562189158 /nfs/dbraw/zinc/18/91/58/562189158.db2.gz ZOJSXRHUYBIMRZ-UHFFFAOYSA-N 1 3 358.530 2.245 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000523428635 562212928 /nfs/dbraw/zinc/21/29/28/562212928.db2.gz WQHMWJBJBWNIGZ-GOSISDBHSA-N 1 3 366.550 2.195 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000378497832 558570034 /nfs/dbraw/zinc/57/00/34/558570034.db2.gz RPTWDKRSGMOXJI-FBBABVLZSA-N 1 3 371.525 2.267 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390753236 558612186 /nfs/dbraw/zinc/61/21/86/558612186.db2.gz UFAXKAABXZFSSS-MOXWOTFGSA-N 1 3 371.525 2.300 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390753236 558612188 /nfs/dbraw/zinc/61/21/88/558612188.db2.gz UFAXKAABXZFSSS-MOXWOTFGSA-N 1 3 371.525 2.300 20 0 FEADHO COC[C@H](C)OC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390871834 558612467 /nfs/dbraw/zinc/61/24/67/558612467.db2.gz JYMNXJJCAWDXKC-XCDJFROHSA-N 1 3 362.514 2.184 20 0 FEADHO COC[C@H](C)OC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390871834 558612469 /nfs/dbraw/zinc/61/24/69/558612469.db2.gz JYMNXJJCAWDXKC-XCDJFROHSA-N 1 3 362.514 2.184 20 0 FEADHO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390954964 558613176 /nfs/dbraw/zinc/61/31/76/558613176.db2.gz VEMNFTPFWQVAAX-QUCCMNQESA-N 1 3 359.514 2.174 20 0 FEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000523820309 562220365 /nfs/dbraw/zinc/22/03/65/562220365.db2.gz FPOYKWGWJPXRDT-QGZVFWFLSA-N 1 3 368.591 2.378 20 0 FEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000523820309 562220366 /nfs/dbraw/zinc/22/03/66/562220366.db2.gz FPOYKWGWJPXRDT-QGZVFWFLSA-N 1 3 368.591 2.378 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCOc1cccc2ccccc21 ZINC000525449568 562248310 /nfs/dbraw/zinc/24/83/10/562248310.db2.gz MYZWSLFTMSQQBT-UHFFFAOYSA-N 1 3 372.513 2.353 20 0 FEADHO CN(C)[C@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000525383379 562246985 /nfs/dbraw/zinc/24/69/85/562246985.db2.gz INEQJELRRXMTRT-IRLDBZIGSA-N 1 3 367.493 2.043 20 0 FEADHO CN(C)[C@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000525383379 562246986 /nfs/dbraw/zinc/24/69/86/562246986.db2.gz INEQJELRRXMTRT-IRLDBZIGSA-N 1 3 367.493 2.043 20 0 FEADHO CCC1CCC(N(CCO)CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000411632951 558932650 /nfs/dbraw/zinc/93/26/50/558932650.db2.gz NBQGUMLLYBHKPR-UHFFFAOYSA-N 1 3 353.551 2.239 20 0 FEADHO CCC1(CC)[C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)[C@@H]1OC ZINC000411638392 558933669 /nfs/dbraw/zinc/93/36/69/558933669.db2.gz ZXECEKABGAAQDF-LZQZEXGQSA-N 1 3 353.551 2.405 20 0 FEADHO Cc1nc(-c2ccc(C)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c2)n[nH]1 ZINC000525890579 562258706 /nfs/dbraw/zinc/25/87/06/562258706.db2.gz JCZXYYABGBTWEW-UHFFFAOYSA-N 1 3 373.505 2.046 20 0 FEADHO C[C@@H]1C[C@H]1N1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[C@@H](C)C1 ZINC000412359322 559030755 /nfs/dbraw/zinc/03/07/55/559030755.db2.gz JZLZEUVOEYYTKC-QFHJOOASSA-N 1 3 365.587 2.393 20 0 FEADHO COc1ccc2c(c1)[C@@H]([NH2+]CC1(N3CCOCC3)CCN(C)CC1)CCC2 ZINC000414183468 559151932 /nfs/dbraw/zinc/15/19/32/559151932.db2.gz DXPJZUXTKMEDCF-NRFANRHFSA-N 1 3 373.541 2.459 20 0 FEADHO CN1CCC(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)(N2CCOCC2)CC1 ZINC000414204732 559152957 /nfs/dbraw/zinc/15/29/57/559152957.db2.gz WQKDSQZKASMJFJ-ROUUACIJSA-N 1 3 367.578 2.355 20 0 FEADHO COC1CCC([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 ZINC000414344338 559157549 /nfs/dbraw/zinc/15/75/49/559157549.db2.gz RIJNUIHSPYQAHX-UHFFFAOYSA-N 1 3 359.514 2.431 20 0 FEADHO CN1CCC(C[NH2+]Cc2ccc3c(c2)CCCC3)(N2CCOCC2)CC1 ZINC000414485128 559168063 /nfs/dbraw/zinc/16/80/63/559168063.db2.gz OXWIQTZRSKGGDQ-UHFFFAOYSA-N 1 3 357.542 2.452 20 0 FEADHO CC(C)Oc1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414489962 559168157 /nfs/dbraw/zinc/16/81/57/559168157.db2.gz WTBBILHOVBOCNZ-UHFFFAOYSA-N 1 3 361.530 2.360 20 0 FEADHO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000414493241 559168574 /nfs/dbraw/zinc/16/85/74/559168574.db2.gz BSEIRLLTNUPTAF-SFHVURJKSA-N 1 3 358.530 2.127 20 0 FEADHO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000414493241 559168576 /nfs/dbraw/zinc/16/85/76/559168576.db2.gz BSEIRLLTNUPTAF-SFHVURJKSA-N 1 3 358.530 2.127 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+]CCC(C)(C)S(C)(=O)=O)CC1 ZINC000414514610 559169738 /nfs/dbraw/zinc/16/97/38/559169738.db2.gz JMEXUDXUHUVFIG-UHFFFAOYSA-N 1 3 367.559 2.131 20 0 FEADHO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414673169 559178823 /nfs/dbraw/zinc/17/88/23/559178823.db2.gz IMNPQNOGOFEXIQ-AWEZNQCLSA-N 1 3 359.392 2.214 20 0 FEADHO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414673169 559178824 /nfs/dbraw/zinc/17/88/24/559178824.db2.gz IMNPQNOGOFEXIQ-AWEZNQCLSA-N 1 3 359.392 2.214 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414686136 559179472 /nfs/dbraw/zinc/17/94/72/559179472.db2.gz FKWRVVNMUHIBAB-HZPDHXFCSA-N 1 3 372.513 2.103 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000414687739 559179740 /nfs/dbraw/zinc/17/97/40/559179740.db2.gz HYUQFOABCITXAN-IAGOWNOFSA-N 1 3 374.529 2.219 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(c3ncccc3Cl)CC2)C1 ZINC000414747148 559184487 /nfs/dbraw/zinc/18/44/87/559184487.db2.gz SYMBLUMEZYHYDX-CQSZACIVSA-N 1 3 350.894 2.112 20 0 FEADHO Cc1nc2ccccc2n1C1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414753158 559184905 /nfs/dbraw/zinc/18/49/05/559184905.db2.gz LUTVNZWEHCRQCW-KRWDZBQOSA-N 1 3 369.513 2.179 20 0 FEADHO CN(Cc1cc(Br)ccc1F)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414752075 559185011 /nfs/dbraw/zinc/18/50/11/559185011.db2.gz TTZVLOFMYLLLDH-LBPRGKRZSA-N 1 3 372.282 2.217 20 0 FEADHO Clc1ccc(OC[C@H]2CCCO2)c(CNCCCN2CC[NH2+]CC2)c1 ZINC000414787964 559187624 /nfs/dbraw/zinc/18/76/24/559187624.db2.gz ZXQBWJKUAJARNG-GOSISDBHSA-N 1 3 367.921 2.283 20 0 FEADHO [NH3+]C[C@@H]1CN(Cc2ccc(OC[C@H]3CCCO3)cc2)CC12CCOCC2 ZINC000414793346 559187858 /nfs/dbraw/zinc/18/78/58/559187858.db2.gz TWONOCBWENGLBI-UYAOXDASSA-N 1 3 360.498 2.432 20 0 FEADHO CC(C)c1ccc([C@@H](N)C[NH2+]C2CCN(CCN3CCOCC3)CC2)cc1 ZINC000414854576 559190963 /nfs/dbraw/zinc/19/09/63/559190963.db2.gz ZNWJZGLDAIIVAO-QFIPXVFZSA-N 1 3 374.573 2.196 20 0 FEADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NC[C@@H](C)C[NH3+] ZINC000414874122 559192224 /nfs/dbraw/zinc/19/22/24/559192224.db2.gz ICWJUINCGUDPPI-QWRGUYRKSA-N 1 3 355.504 2.443 20 0 FEADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN ZINC000414874122 559192225 /nfs/dbraw/zinc/19/22/25/559192225.db2.gz ICWJUINCGUDPPI-QWRGUYRKSA-N 1 3 355.504 2.443 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000414881477 559192827 /nfs/dbraw/zinc/19/28/27/559192827.db2.gz LAIKWUIYJNXRFF-OAHLLOKOSA-N 1 3 358.486 2.122 20 0 FEADHO c1c(CNCCN2CC[NH2+]CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000414882803 559192866 /nfs/dbraw/zinc/19/28/66/559192866.db2.gz MSGWBHIIHOXHOI-UHFFFAOYSA-N 1 3 354.502 2.055 20 0 FEADHO COC[C@]1(CNCc2ccccc2N(C)C2CCN(C)CC2)CCC[NH2+]1 ZINC000414946224 559196474 /nfs/dbraw/zinc/19/64/74/559196474.db2.gz SCIZLILYNQHCAQ-OAQYLSRUSA-N 1 3 360.546 2.075 20 0 FEADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414992130 559199297 /nfs/dbraw/zinc/19/92/97/559199297.db2.gz RGRLEIXUOVQOAO-QAPCUYQASA-N 1 3 360.502 2.272 20 0 FEADHO COc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000414996612 559199751 /nfs/dbraw/zinc/19/97/51/559199751.db2.gz XJMYAHJNRQDXJQ-AWEZNQCLSA-N 1 3 351.800 2.274 20 0 FEADHO COc1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc(OC)c1OC ZINC000415119499 559206148 /nfs/dbraw/zinc/20/61/48/559206148.db2.gz FOJUYHRHPNWJLG-DLBZAZTESA-N 1 3 364.486 2.431 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)C1 ZINC000415130457 559206914 /nfs/dbraw/zinc/20/69/14/559206914.db2.gz WUOYCHKPUSCWQF-RXVVDRJESA-N 1 3 373.541 2.457 20 0 FEADHO Cc1cc(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)n(C2CCN(C)CC2)n1 ZINC000415246001 559217938 /nfs/dbraw/zinc/21/79/38/559217938.db2.gz BQFZYGTWFIOECQ-INIZCTEOSA-N 1 3 350.511 2.295 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](CN)C2CCCCC2)cc1 ZINC000415420875 559233920 /nfs/dbraw/zinc/23/39/20/559233920.db2.gz BEPHVCJAZZKYQJ-LJQANCHMSA-N 1 3 374.529 2.491 20 0 FEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415507756 559245060 /nfs/dbraw/zinc/24/50/60/559245060.db2.gz UAZXLOKZYXOOPA-IBGZPJMESA-N 1 3 374.529 2.443 20 0 FEADHO Cc1cc(NC(=O)C(=O)N(CCC[NH3+])CC2CCCC2)ccc1CN(C)C ZINC000415710598 559264239 /nfs/dbraw/zinc/26/42/39/559264239.db2.gz LMCIILBSLSMVCC-UHFFFAOYSA-N 1 3 374.529 2.363 20 0 FEADHO [NH3+]CC[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(F)(F)F ZINC000415989740 559287258 /nfs/dbraw/zinc/28/72/58/559287258.db2.gz BEYAQBAPZOUQQP-CABCVRRESA-N 1 3 358.408 2.402 20 0 FEADHO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(F)(F)F ZINC000415994270 559287804 /nfs/dbraw/zinc/28/78/04/559287804.db2.gz LBEPPCLLPJRMMB-CABCVRRESA-N 1 3 358.408 2.230 20 0 FEADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccco1 ZINC000416047991 559290754 /nfs/dbraw/zinc/29/07/54/559290754.db2.gz PNFNVCNSXOHESB-LOWVWBTDSA-N 1 3 350.385 2.288 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000416810215 559333430 /nfs/dbraw/zinc/33/34/30/559333430.db2.gz BEIJJJDGJPLTDM-IEBWSBKVSA-N 1 3 360.502 2.273 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]1C[NH2+]C)c1cccc(OC)c1 ZINC000416927954 559338896 /nfs/dbraw/zinc/33/88/96/559338896.db2.gz UADZCVXPQRJEBK-IEBWSBKVSA-N 1 3 362.518 2.472 20 0 FEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CNCCC1(F)F ZINC000416965200 559340686 /nfs/dbraw/zinc/34/06/86/559340686.db2.gz CYMOLXMSTAFSJC-INIZCTEOSA-N 1 3 354.445 2.323 20 0 FEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CNCCC1(F)F ZINC000416965200 559340687 /nfs/dbraw/zinc/34/06/87/559340687.db2.gz CYMOLXMSTAFSJC-INIZCTEOSA-N 1 3 354.445 2.323 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000416975799 559341417 /nfs/dbraw/zinc/34/14/17/559341417.db2.gz OQPOMWKEGOVWPI-UHFFFAOYSA-N 1 3 370.497 2.298 20 0 FEADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417090426 559347423 /nfs/dbraw/zinc/34/74/23/559347423.db2.gz WGNYNKIWCWFRHL-HSALFYBXSA-N 1 3 356.514 2.292 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N(C)C3CC([NH3+])C3)CC2)cc1 ZINC000417319162 559357394 /nfs/dbraw/zinc/35/73/94/559357394.db2.gz BHEVIWRUAUFIKU-UHFFFAOYSA-N 1 3 360.502 2.038 20 0 FEADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000417330404 559357862 /nfs/dbraw/zinc/35/78/62/559357862.db2.gz KXDHVKHXSHLURZ-IBGZPJMESA-N 1 3 374.529 2.301 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C(F)F ZINC000417360510 559359176 /nfs/dbraw/zinc/35/91/76/559359176.db2.gz HVWBBIXVRYMQQB-GXTWGEPZSA-N 1 3 360.474 2.242 20 0 FEADHO C[C@H]1NCCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@H]1C ZINC000417380477 559360094 /nfs/dbraw/zinc/36/00/94/559360094.db2.gz KLIZVWSYHSCAMH-CABCVRRESA-N 1 3 350.532 2.352 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)NCC1CCN(Cc2cccs2)CC1)C(F)F ZINC000417390682 559360575 /nfs/dbraw/zinc/36/05/75/559360575.db2.gz ZEOVMVOPZXBDAA-CQSZACIVSA-N 1 3 360.474 2.242 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccccc1 ZINC000417492204 559364340 /nfs/dbraw/zinc/36/43/40/559364340.db2.gz LNXLWPKDYJBQPN-SCTDSRPQSA-N 1 3 362.518 2.088 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccccc1 ZINC000417492204 559364341 /nfs/dbraw/zinc/36/43/41/559364341.db2.gz LNXLWPKDYJBQPN-SCTDSRPQSA-N 1 3 362.518 2.088 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N(C)C1CC[NH2+]CC1)c1ccccc1 ZINC000417514667 559365559 /nfs/dbraw/zinc/36/55/59/559365559.db2.gz JXOOSOGEWMHXGX-IBGZPJMESA-N 1 3 362.518 2.089 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000417515878 559365612 /nfs/dbraw/zinc/36/56/12/559365612.db2.gz MFSSVIFSGUHXHB-TZIWHRDSSA-N 1 3 374.529 2.091 20 0 FEADHO C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N(C)C1CC1 ZINC000417552461 559366812 /nfs/dbraw/zinc/36/68/12/559366812.db2.gz RAWFLWKRIYLYKA-URLQWDBASA-N 1 3 362.493 2.301 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417568777 559367110 /nfs/dbraw/zinc/36/71/10/559367110.db2.gz PGIWZDDJOJHRIT-VQTJNVASSA-N 1 3 370.497 2.250 20 0 FEADHO CC(C)C[C@@H](C[NH3+])NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417632809 559369531 /nfs/dbraw/zinc/36/95/31/559369531.db2.gz XHCINKWDSUJUPL-INIZCTEOSA-N 1 3 356.580 2.411 20 0 FEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000417676917 559371802 /nfs/dbraw/zinc/37/18/02/559371802.db2.gz FGTKCAWDKREFNT-NEWSRXKRSA-N 1 3 356.514 2.463 20 0 FEADHO COc1cc(NC(=O)N[C@H]2CCCN(C)[C@@H]2C)ccc1OCC[NH+](C)C ZINC000417689039 559372522 /nfs/dbraw/zinc/37/25/22/559372522.db2.gz SOSSERGOUAPJDH-ZBFHGGJFSA-N 1 3 364.490 2.240 20 0 FEADHO CC(C)C[C@H](CNC(=O)NC[C@H]1CNCCO1)[NH2+][C@@H](C)c1ccccc1 ZINC000417873152 559380306 /nfs/dbraw/zinc/38/03/06/559380306.db2.gz LIIATUMWKXOYIP-QXAKKESOSA-N 1 3 362.518 2.040 20 0 FEADHO CN1CC[C@H](NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)[C@H]1c1ccccc1 ZINC000417938313 559382802 /nfs/dbraw/zinc/38/28/02/559382802.db2.gz JKANWUMZLMERBZ-HSALFYBXSA-N 1 3 356.514 2.463 20 0 FEADHO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000418007447 559386288 /nfs/dbraw/zinc/38/62/88/559386288.db2.gz QZXMKOHFVAOSQC-BZUAXINKSA-N 1 3 365.547 2.055 20 0 FEADHO C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000418170845 559392860 /nfs/dbraw/zinc/39/28/60/559392860.db2.gz PGUYWYVWMVJUIW-GOSISDBHSA-N 1 3 374.529 2.301 20 0 FEADHO C[C@H]1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)[C@@H](C[NH3+])C1 ZINC000418171094 559392881 /nfs/dbraw/zinc/39/28/81/559392881.db2.gz PNFVOJOPXTZWMC-FUHWJXTLSA-N 1 3 374.529 2.428 20 0 FEADHO C[C@H]1[C@@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000418194632 559393653 /nfs/dbraw/zinc/39/36/53/559393653.db2.gz PDUKUKWNAHZWPD-HKUYNNGSSA-N 1 3 356.514 2.435 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N(C)C2CC[NH2+]CC2)N(C)C)cc1 ZINC000418207195 559393905 /nfs/dbraw/zinc/39/39/05/559393905.db2.gz PCUGQURPIQMHPT-IBGZPJMESA-N 1 3 362.518 2.470 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000418229265 559394743 /nfs/dbraw/zinc/39/47/43/559394743.db2.gz GOOUERSRTRAJQK-JZXOWHBKSA-N 1 3 362.543 2.262 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)N(C)C)cc1 ZINC000418231366 559394850 /nfs/dbraw/zinc/39/48/50/559394850.db2.gz LEEZCPXUTWWONS-VBQJREDUSA-N 1 3 350.532 2.403 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@H](C)NC[C@H]2C)[NH+](C)C)cc1 ZINC000418231366 559394851 /nfs/dbraw/zinc/39/48/51/559394851.db2.gz LEEZCPXUTWWONS-VBQJREDUSA-N 1 3 350.532 2.403 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)N(C)C)cc1 ZINC000418237076 559395085 /nfs/dbraw/zinc/39/50/85/559395085.db2.gz VKUIVKQPARDSGZ-ZQIUZPCESA-N 1 3 350.532 2.403 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CCN[C@@H](C)[C@@H]2C)[NH+](C)C)cc1 ZINC000418237076 559395086 /nfs/dbraw/zinc/39/50/86/559395086.db2.gz VKUIVKQPARDSGZ-ZQIUZPCESA-N 1 3 350.532 2.403 20 0 FEADHO CN(Cc1ccccc1)C1(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CCC1 ZINC000418241353 559395282 /nfs/dbraw/zinc/39/52/82/559395282.db2.gz KBQFOWUSWNOPAF-MOPGFXCFSA-N 1 3 356.514 2.292 20 0 FEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000418352679 559398645 /nfs/dbraw/zinc/39/86/45/559398645.db2.gz MZVRANAUPCVMPE-MOPGFXCFSA-N 1 3 374.529 2.207 20 0 FEADHO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418405144 559400455 /nfs/dbraw/zinc/40/04/55/559400455.db2.gz AVXRKBUKMNYGIN-JKIHBJOUSA-N 1 3 368.525 2.433 20 0 FEADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418422133 559400874 /nfs/dbraw/zinc/40/08/74/559400874.db2.gz CIXHZPSPIJZIDP-ZHALLVOQSA-N 1 3 368.566 2.281 20 0 FEADHO C[C@@H](C[NH3+])CNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418475110 559403169 /nfs/dbraw/zinc/40/31/69/559403169.db2.gz QPTNIFNFZKGBOW-ZDUSSCGKSA-N 1 3 360.424 2.373 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000418547156 559405627 /nfs/dbraw/zinc/40/56/27/559405627.db2.gz QYSZXNHLXATXSL-FQEVSTJZSA-N 1 3 362.518 2.158 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000418597376 559407448 /nfs/dbraw/zinc/40/74/48/559407448.db2.gz HOXOHBGHWMIZAI-BTHPGYMESA-N 1 3 356.514 2.290 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418670745 559410720 /nfs/dbraw/zinc/41/07/20/559410720.db2.gz KSRFZDRTRIXFJF-PXNSSMCTSA-N 1 3 374.529 2.361 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000418730489 559412841 /nfs/dbraw/zinc/41/28/41/559412841.db2.gz SJSRQJCQILWODR-RWQQGDIJSA-N 1 3 366.550 2.035 20 0 FEADHO C[N@H+](CCCCN[C@H](C(N)=O)c1ccc(Br)cc1)C1CC1 ZINC000419299691 559435861 /nfs/dbraw/zinc/43/58/61/559435861.db2.gz KJQRSCMWMLOMFT-HNNXBMFYSA-N 1 3 354.292 2.440 20 0 FEADHO C[N@@H+](CCCCN[C@H](C(N)=O)c1ccc(Br)cc1)C1CC1 ZINC000419299691 559435862 /nfs/dbraw/zinc/43/58/62/559435862.db2.gz KJQRSCMWMLOMFT-HNNXBMFYSA-N 1 3 354.292 2.440 20 0 FEADHO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420321339 559480347 /nfs/dbraw/zinc/48/03/47/559480347.db2.gz RAFSXHLIBSAGNA-IRXDYDNUSA-N 1 3 362.493 2.160 20 0 FEADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCCOc1ccccc1F ZINC000420333859 559481156 /nfs/dbraw/zinc/48/11/56/559481156.db2.gz TVYCYHDARVXFKK-DLBZAZTESA-N 1 3 363.477 2.032 20 0 FEADHO COc1ccc([C@H](C[NH3+])CN2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000420366222 559483151 /nfs/dbraw/zinc/48/31/51/559483151.db2.gz FUYACFUYRSHQNZ-QKLQHJQFSA-N 1 3 357.498 2.213 20 0 FEADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000420366222 559483152 /nfs/dbraw/zinc/48/31/52/559483152.db2.gz FUYACFUYRSHQNZ-QKLQHJQFSA-N 1 3 357.498 2.213 20 0 FEADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000420366222 559483153 /nfs/dbraw/zinc/48/31/53/559483153.db2.gz FUYACFUYRSHQNZ-QKLQHJQFSA-N 1 3 357.498 2.213 20 0 FEADHO CCN1CCC([N@@H+]2CCCN([C@H](C)C(=O)N3CCCCCC3)CC2)CC1 ZINC000420973481 559515870 /nfs/dbraw/zinc/51/58/70/559515870.db2.gz COKHYCKQDLMLHT-LJQANCHMSA-N 1 3 364.578 2.270 20 0 FEADHO CCN1CCC([N@H+]2CCCN([C@H](C)C(=O)N3CCCCCC3)CC2)CC1 ZINC000420973481 559515871 /nfs/dbraw/zinc/51/58/71/559515871.db2.gz COKHYCKQDLMLHT-LJQANCHMSA-N 1 3 364.578 2.270 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CCCO[C@H]3CCCCO3)CC2)CC1 ZINC000420973444 559515925 /nfs/dbraw/zinc/51/59/25/559515925.db2.gz CLXHDAUFSDVXDL-FQEVSTJZSA-N 1 3 353.551 2.412 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CCCO[C@H]3CCCCO3)CC2)CC1 ZINC000420973444 559515926 /nfs/dbraw/zinc/51/59/26/559515926.db2.gz CLXHDAUFSDVXDL-FQEVSTJZSA-N 1 3 353.551 2.412 20 0 FEADHO CCOC(=O)c1ccc(CN2CCC[N@@H+](C3CCN(CC)CC3)CC2)nc1 ZINC000420975917 559516114 /nfs/dbraw/zinc/51/61/14/559516114.db2.gz GHWKHVHCAJYRTI-UHFFFAOYSA-N 1 3 374.529 2.250 20 0 FEADHO CCOC(=O)c1ccc(CN2CCC[N@H+](C3CCN(CC)CC3)CC2)nc1 ZINC000420975917 559516115 /nfs/dbraw/zinc/51/61/15/559516115.db2.gz GHWKHVHCAJYRTI-UHFFFAOYSA-N 1 3 374.529 2.250 20 0 FEADHO CCOC(=O)c1ccc(CN2CCCN(C3CC[NH+](CC)CC3)CC2)nc1 ZINC000420975917 559516116 /nfs/dbraw/zinc/51/61/16/559516116.db2.gz GHWKHVHCAJYRTI-UHFFFAOYSA-N 1 3 374.529 2.250 20 0 FEADHO CC(C)(CC[NH3+])NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000422623864 559598294 /nfs/dbraw/zinc/59/82/94/559598294.db2.gz XWVLHZQNKCNIAW-UHFFFAOYSA-N 1 3 350.429 2.218 20 0 FEADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H]1C[NH3+] ZINC000422625409 559598361 /nfs/dbraw/zinc/59/83/61/559598361.db2.gz BKDULWRKVVURRJ-BRWVUGGUSA-N 1 3 372.513 2.447 20 0 FEADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H]1CN ZINC000422625409 559598362 /nfs/dbraw/zinc/59/83/62/559598362.db2.gz BKDULWRKVVURRJ-BRWVUGGUSA-N 1 3 372.513 2.447 20 0 FEADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H]1CN ZINC000422625409 559598363 /nfs/dbraw/zinc/59/83/63/559598363.db2.gz BKDULWRKVVURRJ-BRWVUGGUSA-N 1 3 372.513 2.447 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2ccc(OC)cc2OC)CC[NH2+]CC1 ZINC000422700454 559603344 /nfs/dbraw/zinc/60/33/44/559603344.db2.gz BWTVOPDEYKYNSR-AWEZNQCLSA-N 1 3 350.459 2.115 20 0 FEADHO Fc1ccc(N2CCN(CCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422814385 559607220 /nfs/dbraw/zinc/60/72/20/559607220.db2.gz UOSZAWXYJZVQOH-NJDAHSKKSA-N 1 3 360.521 2.458 20 0 FEADHO C(N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCC1 ZINC000422842172 559608220 /nfs/dbraw/zinc/60/82/20/559608220.db2.gz FDYXPAFCHXZRGT-OKZBNKHCSA-N 1 3 353.576 2.095 20 0 FEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422880205 559609632 /nfs/dbraw/zinc/60/96/32/559609632.db2.gz NNDRNECXCYVQSS-DZGCQCFKSA-N 1 3 354.292 2.286 20 0 FEADHO CCOc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)CCOCC2)cc1 ZINC000422880148 559609734 /nfs/dbraw/zinc/60/97/34/559609734.db2.gz NIPHDVAUVGDPNG-PWIZWCRZSA-N 1 3 362.514 2.475 20 0 FEADHO CN(C)CCNC(=O)c1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422910384 559610990 /nfs/dbraw/zinc/61/09/90/559610990.db2.gz HZCTZNSLFSLRCL-PWRODBHTSA-N 1 3 372.557 2.378 20 0 FEADHO [NH3+]CC1CCC(NCc2ccccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000422931123 559611820 /nfs/dbraw/zinc/61/18/20/559611820.db2.gz APKRFJJTRMPNLM-UHFFFAOYSA-N 1 3 365.543 2.468 20 0 FEADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000422965685 559613297 /nfs/dbraw/zinc/61/32/97/559613297.db2.gz PKFHUQOBDCDUPU-MQGJPIDWSA-N 1 3 353.510 2.170 20 0 FEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000422965685 559613298 /nfs/dbraw/zinc/61/32/98/559613298.db2.gz PKFHUQOBDCDUPU-MQGJPIDWSA-N 1 3 353.510 2.170 20 0 FEADHO COC[C@@H](CCC[NH3+])N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000423054008 559616726 /nfs/dbraw/zinc/61/67/26/559616726.db2.gz TZTRHIRWXNULPX-CABCVRRESA-N 1 3 373.419 2.150 20 0 FEADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccc(Br)c1 ZINC000423075157 559617541 /nfs/dbraw/zinc/61/75/41/559617541.db2.gz NXOGIWKTDIDSDP-JTUUTPGSSA-N 1 3 353.304 2.473 20 0 FEADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)CC[NH2+]CC1 ZINC000423082220 559617988 /nfs/dbraw/zinc/61/79/88/559617988.db2.gz WPWHHDAZBWBLSC-MJBXVCDLSA-N 1 3 351.495 2.290 20 0 FEADHO CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2nnc([C@@H](C)CC)[n-]2)CC[NH2+]CC1 ZINC000423082220 559617989 /nfs/dbraw/zinc/61/79/89/559617989.db2.gz WPWHHDAZBWBLSC-MJBXVCDLSA-N 1 3 351.495 2.290 20 0 FEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423099310 559618925 /nfs/dbraw/zinc/61/89/25/559618925.db2.gz LYXPVUCWCVZSEO-DZGCQCFKSA-N 1 3 359.923 2.116 20 0 FEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423167871 559621667 /nfs/dbraw/zinc/62/16/67/559621667.db2.gz FXDWQRIGWRQCAX-XEZPLFJOSA-N 1 3 359.283 2.456 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423167871 559621668 /nfs/dbraw/zinc/62/16/68/559621668.db2.gz FXDWQRIGWRQCAX-XEZPLFJOSA-N 1 3 359.283 2.456 20 0 FEADHO FC(F)(F)[C@@H](CN[C@H]1CSCCc2ccccc21)N1CC[NH2+]CC1 ZINC000423375141 559627184 /nfs/dbraw/zinc/62/71/84/559627184.db2.gz CVIXIZMPZYFIHW-JKSUJKDBSA-N 1 3 359.461 2.443 20 0 FEADHO COc1ccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1OC ZINC000423390478 559627721 /nfs/dbraw/zinc/62/77/21/559627721.db2.gz OKRNCCRCPNMFCM-MLGOLLRUSA-N 1 3 361.408 2.191 20 0 FEADHO NC(C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC000423847165 559642593 /nfs/dbraw/zinc/64/25/93/559642593.db2.gz LUULVQQIJUGZDQ-OAHLLOKOSA-N 1 3 355.404 2.391 20 0 FEADHO NC(C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC000423847165 559642594 /nfs/dbraw/zinc/64/25/94/559642594.db2.gz LUULVQQIJUGZDQ-OAHLLOKOSA-N 1 3 355.404 2.391 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)c1 ZINC000424140033 559655948 /nfs/dbraw/zinc/65/59/48/559655948.db2.gz WAAYQFDYTKAGEX-KRWDZBQOSA-N 1 3 356.474 2.297 20 0 FEADHO CN(c1ccccc1C[NH2+]CCCCS(C)(=O)=O)C1CCN(C)CC1 ZINC000424175522 559656712 /nfs/dbraw/zinc/65/67/12/559656712.db2.gz UTUPTBURPDSYJT-UHFFFAOYSA-N 1 3 367.559 2.131 20 0 FEADHO CCOCc1ccc(CNC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424293688 559660920 /nfs/dbraw/zinc/66/09/20/559660920.db2.gz PNIBKZJDAUJZJN-QGZVFWFLSA-N 1 3 359.514 2.303 20 0 FEADHO CCOC(=O)CN(C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424298166 559661001 /nfs/dbraw/zinc/66/10/01/559661001.db2.gz TZUFROXMNHPSEQ-KRWDZBQOSA-N 1 3 373.497 2.047 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C(F)(F)F ZINC000424414020 559663726 /nfs/dbraw/zinc/66/37/26/559663726.db2.gz FPUUWUCDUMXNGW-ARFHVFGLSA-N 1 3 370.419 2.182 20 0 FEADHO C[C@H](CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[N@H+](C)C1CC1 ZINC000425462170 559703444 /nfs/dbraw/zinc/70/34/44/559703444.db2.gz DKCSFAMNIYBWND-IMFGXOCKSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@H](CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[N@@H+](C)C1CC1 ZINC000425462170 559703445 /nfs/dbraw/zinc/70/34/45/559703445.db2.gz DKCSFAMNIYBWND-IMFGXOCKSA-N 1 3 356.514 2.385 20 0 FEADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCCCN3CCc4ccccc4C3)[C@@H]2C1 ZINC000425646296 559712868 /nfs/dbraw/zinc/71/28/68/559712868.db2.gz DXCDXOAVOCCURH-VQTJNVASSA-N 1 3 356.514 2.170 20 0 FEADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NCCCN3CCc4ccccc4C3)[C@@H]2C1 ZINC000425646296 559712869 /nfs/dbraw/zinc/71/28/69/559712869.db2.gz DXCDXOAVOCCURH-VQTJNVASSA-N 1 3 356.514 2.170 20 0 FEADHO CN(C(=O)C[C@H]1CCC[NH2+]CC1)C1CCN(CCc2ccccn2)CC1 ZINC000427331342 559753542 /nfs/dbraw/zinc/75/35/42/559753542.db2.gz PRKZQEJRIJLJSI-SFHVURJKSA-N 1 3 358.530 2.327 20 0 FEADHO COCC[C@@]1(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000431008063 559832224 /nfs/dbraw/zinc/83/22/24/559832224.db2.gz RBFOTTUTGCMXIY-RXVVDRJESA-N 1 3 359.514 2.126 20 0 FEADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])cc2)CC1 ZINC000431017750 559832465 /nfs/dbraw/zinc/83/24/65/559832465.db2.gz RTJSMFVRPQIXOV-NHCUHLMSSA-N 1 3 372.557 2.348 20 0 FEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433336410 559877446 /nfs/dbraw/zinc/87/74/46/559877446.db2.gz VMCXFYVRUZNWEQ-KZNAEPCWSA-N 1 3 354.539 2.049 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cnc3ccccc3c2)C1)[C@H]1CCC[NH2+]1 ZINC000435379963 559921852 /nfs/dbraw/zinc/92/18/52/559921852.db2.gz OJOLSCDLNVBUOM-OXQOHEQNSA-N 1 3 352.482 2.315 20 0 FEADHO CN(CCNC(=O)C1CC[NH+](CC[C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000438093745 559973996 /nfs/dbraw/zinc/97/39/96/559973996.db2.gz LTSYDWRZEUGCFO-HXUWFJFHSA-N 1 3 373.541 2.373 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000439143178 559989001 /nfs/dbraw/zinc/98/90/01/559989001.db2.gz AQBJICWSCWICRC-QGZVFWFLSA-N 1 3 359.518 2.392 20 0 FEADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000442766634 560056708 /nfs/dbraw/zinc/05/67/08/560056708.db2.gz LDNSYLMAYXGVOF-PBHICJAKSA-N 1 3 355.486 2.487 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CCOCC1)c1ccccc1 ZINC000444175398 560104385 /nfs/dbraw/zinc/10/43/85/560104385.db2.gz JZJRUCZWRLWEKZ-ILZDJORESA-N 1 3 357.498 2.002 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446271534 560143297 /nfs/dbraw/zinc/14/32/97/560143297.db2.gz LESJHVQEBLNMTH-WAOWUJCRSA-N 1 3 365.562 2.489 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446271534 560143298 /nfs/dbraw/zinc/14/32/98/560143298.db2.gz LESJHVQEBLNMTH-WAOWUJCRSA-N 1 3 365.562 2.489 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000446293489 560143880 /nfs/dbraw/zinc/14/38/80/560143880.db2.gz OPRZWYYUFZSHQO-WAOWUJCRSA-N 1 3 363.546 2.290 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446616993 560148468 /nfs/dbraw/zinc/14/84/68/560148468.db2.gz IDDYRFKIZPCTCL-UHFFFAOYSA-N 1 3 350.482 2.383 20 0 FEADHO COc1cccc2c(C[NH2+]CCCCN3CCN(CCO)CC3)cccc12 ZINC000449148086 560218135 /nfs/dbraw/zinc/21/81/35/560218135.db2.gz IYHHEDDAISOMGC-UHFFFAOYSA-N 1 3 371.525 2.328 20 0 FEADHO CC[C@H](C)N1CCN(c2cncc(N3CC[NH+]([C@@H](C)CC)CC3)n2)CC1 ZINC000450860992 560275904 /nfs/dbraw/zinc/27/59/04/560275904.db2.gz PCPWSLXCPWKYSX-ROUUACIJSA-N 1 3 360.550 2.318 20 0 FEADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(C[C@@H](O)CC3CCCC3)C2)CC1 ZINC000451532426 560312729 /nfs/dbraw/zinc/31/27/29/560312729.db2.gz TUQADQKWWUDQPM-SFTDATJTSA-N 1 3 365.562 2.194 20 0 FEADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(C[C@@H](O)CC3CCCC3)C2)CC1 ZINC000451532426 560312730 /nfs/dbraw/zinc/31/27/30/560312730.db2.gz TUQADQKWWUDQPM-SFTDATJTSA-N 1 3 365.562 2.194 20 0 FEADHO O=C(NC[C@H]1CCCCN1CCO)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000452361996 560360414 /nfs/dbraw/zinc/36/04/14/560360414.db2.gz AZZQFEJIRBEDRV-HXUWFJFHSA-N 1 3 359.514 2.249 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCCN(CCCO)C2)cc1)C1CC1 ZINC000452379319 560361941 /nfs/dbraw/zinc/36/19/41/560361941.db2.gz ZZGSTFMWDFLCCU-IBGZPJMESA-N 1 3 359.514 2.248 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCCN(CCCO)C2)cc1)C1CC1 ZINC000452379319 560361942 /nfs/dbraw/zinc/36/19/42/560361942.db2.gz ZZGSTFMWDFLCCU-IBGZPJMESA-N 1 3 359.514 2.248 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCCCN2CCO)cc1)C1CC1 ZINC000452384004 560362086 /nfs/dbraw/zinc/36/20/86/560362086.db2.gz BIJYTDDBCHWUEZ-HXUWFJFHSA-N 1 3 359.514 2.248 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCCCN2CCO)cc1)C1CC1 ZINC000452384004 560362087 /nfs/dbraw/zinc/36/20/87/560362087.db2.gz BIJYTDDBCHWUEZ-HXUWFJFHSA-N 1 3 359.514 2.248 20 0 FEADHO C[C@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CC[N@@H+](C2CC2)C1 ZINC000452571843 560368169 /nfs/dbraw/zinc/36/81/69/560368169.db2.gz PRQWRWJRMGHZFU-LJQANCHMSA-N 1 3 370.541 2.141 20 0 FEADHO C[C@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CC[N@H+](C2CC2)C1 ZINC000452571843 560368170 /nfs/dbraw/zinc/36/81/70/560368170.db2.gz PRQWRWJRMGHZFU-LJQANCHMSA-N 1 3 370.541 2.141 20 0 FEADHO C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453618606 560391511 /nfs/dbraw/zinc/39/15/11/560391511.db2.gz ZRSQIAYDYDZFPS-BEFAXECRSA-N 1 3 372.513 2.165 20 0 FEADHO CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453627901 560391981 /nfs/dbraw/zinc/39/19/81/560391981.db2.gz VYZATHLMSXKKRF-PKOBYXMFSA-N 1 3 374.529 2.267 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCCN2CCCC2(C)C)cc1 ZINC000454072700 560426832 /nfs/dbraw/zinc/42/68/32/560426832.db2.gz UGLPSZDOSWSBNW-UHFFFAOYSA-N 1 3 374.529 2.458 20 0 FEADHO C[C@@H](CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)[NH+](C)C ZINC000454869825 560461537 /nfs/dbraw/zinc/46/15/37/560461537.db2.gz IXVBSWSMNQCJEG-XGNXJENSSA-N 1 3 350.429 2.041 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000457785476 560587471 /nfs/dbraw/zinc/58/74/71/560587471.db2.gz LIPHGZXIKUIJQC-SJORKVTESA-N 1 3 350.532 2.448 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000457785476 560587472 /nfs/dbraw/zinc/58/74/72/560587472.db2.gz LIPHGZXIKUIJQC-SJORKVTESA-N 1 3 350.532 2.448 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(OC)CCCC1 ZINC000458868614 560653219 /nfs/dbraw/zinc/65/32/19/560653219.db2.gz FXEVCCNUCAZTPH-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(OC)CCCC1 ZINC000458868614 560653220 /nfs/dbraw/zinc/65/32/20/560653220.db2.gz FXEVCCNUCAZTPH-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO CCn1ccnc1[C@@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000459054475 560664346 /nfs/dbraw/zinc/66/43/46/560664346.db2.gz IKEGTZJJWNMPJR-IAGOWNOFSA-N 1 3 364.538 2.022 20 0 FEADHO CCn1ccnc1[C@@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000459054475 560664347 /nfs/dbraw/zinc/66/43/47/560664347.db2.gz IKEGTZJJWNMPJR-IAGOWNOFSA-N 1 3 364.538 2.022 20 0 FEADHO CCCc1ncc(CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)o1 ZINC000459057867 560664575 /nfs/dbraw/zinc/66/45/75/560664575.db2.gz YWLPKKLFPVDHIU-INIZCTEOSA-N 1 3 365.522 2.185 20 0 FEADHO CCCc1ncc(CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)o1 ZINC000459057867 560664576 /nfs/dbraw/zinc/66/45/76/560664576.db2.gz YWLPKKLFPVDHIU-INIZCTEOSA-N 1 3 365.522 2.185 20 0 FEADHO CCO[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)[C@@H]1SC ZINC000459418250 560685534 /nfs/dbraw/zinc/68/55/34/560685534.db2.gz IQXSBBCTNHMQNH-KURKYZTESA-N 1 3 355.592 2.435 20 0 FEADHO CN1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460100282 560734495 /nfs/dbraw/zinc/73/44/95/560734495.db2.gz BKAGLYJNNFYRJS-XUVXKRRUSA-N 1 3 356.514 2.244 20 0 FEADHO CN1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460100282 560734496 /nfs/dbraw/zinc/73/44/96/560734496.db2.gz BKAGLYJNNFYRJS-XUVXKRRUSA-N 1 3 356.514 2.244 20 0 FEADHO CN(CCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000460212081 560738229 /nfs/dbraw/zinc/73/82/29/560738229.db2.gz ANTCSVSCIMWOTJ-RBUKOAKNSA-N 1 3 356.514 2.244 20 0 FEADHO CN(CCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000460212081 560738230 /nfs/dbraw/zinc/73/82/30/560738230.db2.gz ANTCSVSCIMWOTJ-RBUKOAKNSA-N 1 3 356.514 2.244 20 0 FEADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000460468789 560744067 /nfs/dbraw/zinc/74/40/67/560744067.db2.gz NWDFRDIKRZKHNX-SFHVURJKSA-N 1 3 369.598 2.022 20 0 FEADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000461877137 560785987 /nfs/dbraw/zinc/78/59/87/560785987.db2.gz QGHXRTASZZUHTE-IYBDPMFKSA-N 1 3 372.513 2.195 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000462185155 560800566 /nfs/dbraw/zinc/80/05/66/560800566.db2.gz YIVIFCHOTVGWIU-LMCOJAPRSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000462185155 560800567 /nfs/dbraw/zinc/80/05/67/560800567.db2.gz YIVIFCHOTVGWIU-LMCOJAPRSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000465541062 560867783 /nfs/dbraw/zinc/86/77/83/560867783.db2.gz JCXOSHZXNHFKRH-KRWDZBQOSA-N 1 3 358.530 2.259 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)CC[N@@H+]1C ZINC000465655670 560870665 /nfs/dbraw/zinc/87/06/65/560870665.db2.gz ISQJLYNAJZWJEO-HZPDHXFCSA-N 1 3 354.564 2.130 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)CC[N@H+]1C ZINC000465655670 560870666 /nfs/dbraw/zinc/87/06/66/560870666.db2.gz ISQJLYNAJZWJEO-HZPDHXFCSA-N 1 3 354.564 2.130 20 0 FEADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000465751065 560872192 /nfs/dbraw/zinc/87/21/92/560872192.db2.gz IRHMJLFJOYGZJI-YZGWKJHDSA-N 1 3 354.498 2.478 20 0 FEADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000465751065 560872193 /nfs/dbraw/zinc/87/21/93/560872193.db2.gz IRHMJLFJOYGZJI-YZGWKJHDSA-N 1 3 354.498 2.478 20 0 FEADHO COc1ccc2c(c1)[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)CCS2 ZINC000467422292 560909736 /nfs/dbraw/zinc/90/97/36/560909736.db2.gz ZVWMYOVSAFRLMA-WMLDXEAASA-N 1 3 363.527 2.409 20 0 FEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000467694014 560915007 /nfs/dbraw/zinc/91/50/07/560915007.db2.gz MZUQGYGHHSUYHO-UXDRXVOSSA-N 1 3 369.509 2.143 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)cc2)CC1 ZINC000467715060 560915618 /nfs/dbraw/zinc/91/56/18/560915618.db2.gz LFJWDIIITMFTQK-OXJNMPFZSA-N 1 3 356.514 2.041 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)cc2)CC1 ZINC000467715060 560915619 /nfs/dbraw/zinc/91/56/19/560915619.db2.gz LFJWDIIITMFTQK-OXJNMPFZSA-N 1 3 356.514 2.041 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2)c1 ZINC000467810359 560917991 /nfs/dbraw/zinc/91/79/91/560917991.db2.gz DIOSDBCITQXRRF-GHTZIAJQSA-N 1 3 370.541 2.106 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)CC2)c1 ZINC000467810359 560917992 /nfs/dbraw/zinc/91/79/92/560917992.db2.gz DIOSDBCITQXRRF-GHTZIAJQSA-N 1 3 370.541 2.106 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000468429119 560929743 /nfs/dbraw/zinc/92/97/43/560929743.db2.gz UBLPIFSXTDXGAP-HXUWFJFHSA-N 1 3 372.557 2.355 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC[N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000468429119 560929744 /nfs/dbraw/zinc/92/97/44/560929744.db2.gz UBLPIFSXTDXGAP-HXUWFJFHSA-N 1 3 372.557 2.355 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)C[C@H]21 ZINC000469872341 560967599 /nfs/dbraw/zinc/96/75/99/560967599.db2.gz BKROQTGWNFCPBZ-USXIJHARSA-N 1 3 354.454 2.407 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC000471975696 561015467 /nfs/dbraw/zinc/01/54/67/561015467.db2.gz COHOTKJRJOYWTD-IJXRJRJASA-N 1 3 356.514 2.243 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC000471975696 561015468 /nfs/dbraw/zinc/01/54/68/561015468.db2.gz COHOTKJRJOYWTD-IJXRJRJASA-N 1 3 356.514 2.243 20 0 FEADHO CCN1CCCC[C@H]1CNC(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000472987840 561039494 /nfs/dbraw/zinc/03/94/94/561039494.db2.gz GFJKDXWGKIVNAE-ROUUACIJSA-N 1 3 354.539 2.003 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000473046201 561041137 /nfs/dbraw/zinc/04/11/37/561041137.db2.gz ZHPRQWRJWWSTLN-RBUKOAKNSA-N 1 3 368.566 2.249 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000476042758 561110165 /nfs/dbraw/zinc/11/01/65/561110165.db2.gz PMAXPYOPSJOSFS-LJQANCHMSA-N 1 3 368.566 2.295 20 0 FEADHO CN(C)CCN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000528744199 562345452 /nfs/dbraw/zinc/34/54/52/562345452.db2.gz OSGOPGFOOGLCAA-LEWJYISDSA-N 1 3 366.509 2.317 20 0 FEADHO CN(C)CCN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000528744199 562345453 /nfs/dbraw/zinc/34/54/53/562345453.db2.gz OSGOPGFOOGLCAA-LEWJYISDSA-N 1 3 366.509 2.317 20 0 FEADHO COc1cccc([C@@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)N2CCCC2)c1 ZINC000529286136 562367430 /nfs/dbraw/zinc/36/74/30/562367430.db2.gz XVNBRKABTMGULO-MOPGFXCFSA-N 1 3 372.513 2.416 20 0 FEADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529349425 562370508 /nfs/dbraw/zinc/37/05/08/562370508.db2.gz LBWGFCJJKVAQGZ-MOPGFXCFSA-N 1 3 356.514 2.229 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@]3(C)OC(C)C)CC2)CC1 ZINC000529971096 562393338 /nfs/dbraw/zinc/39/33/38/562393338.db2.gz ILWIQILHCABGAK-QUCCMNQESA-N 1 3 351.535 2.255 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530027797 562395183 /nfs/dbraw/zinc/39/51/83/562395183.db2.gz IPXVZLQYLTVSAG-NRFANRHFSA-N 1 3 370.541 2.332 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000530027797 562395184 /nfs/dbraw/zinc/39/51/84/562395184.db2.gz IPXVZLQYLTVSAG-NRFANRHFSA-N 1 3 370.541 2.332 20 0 FEADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241446 562403843 /nfs/dbraw/zinc/40/38/43/562403843.db2.gz PVUYMMCXOMSJIX-WIYYLYMNSA-N 1 3 373.541 2.432 20 0 FEADHO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242908 562404002 /nfs/dbraw/zinc/40/40/02/562404002.db2.gz VSIMMEIRQGBWBT-LPHOPBHVSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242910 562404075 /nfs/dbraw/zinc/40/40/75/562404075.db2.gz VSIMMEIRQGBWBT-QFBILLFUSA-N 1 3 351.535 2.257 20 0 FEADHO C[NH+](C)C1(CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CCCCC1 ZINC000530565870 562416084 /nfs/dbraw/zinc/41/60/84/562416084.db2.gz KKQQLWQCBBSSOZ-OAQYLSRUSA-N 1 3 359.514 2.004 20 0 FEADHO CC(C)(C)[NH+]1CCC(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000530569168 562416330 /nfs/dbraw/zinc/41/63/30/562416330.db2.gz VBYSKIMPCVUWDQ-OAQYLSRUSA-N 1 3 359.514 2.003 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc(OCc2ccccc2)c1 ZINC000531357152 562443195 /nfs/dbraw/zinc/44/31/95/562443195.db2.gz XOFLSFYHHHRTHP-UHFFFAOYSA-N 1 3 370.497 2.226 20 0 FEADHO CCO[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C12CCCCC2 ZINC000531424601 562445366 /nfs/dbraw/zinc/44/53/66/562445366.db2.gz MMNWGRMIAVEUSC-ZWKOTPCHSA-N 1 3 368.566 2.249 20 0 FEADHO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n(C2CCN(C)CC2)n1 ZINC000531426403 562445542 /nfs/dbraw/zinc/44/55/42/562445542.db2.gz XYNKOXHNESJNBQ-NVXWUHKLSA-N 1 3 362.522 2.405 20 0 FEADHO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)n(C2CCN(C)CC2)n1 ZINC000531426403 562445543 /nfs/dbraw/zinc/44/55/43/562445543.db2.gz XYNKOXHNESJNBQ-NVXWUHKLSA-N 1 3 362.522 2.405 20 0 FEADHO C[C@H](CC(=O)N(C)C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000532211014 562470714 /nfs/dbraw/zinc/47/07/14/562470714.db2.gz YIIJOLBXVHZJOF-LJQANCHMSA-N 1 3 360.546 2.041 20 0 FEADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000533052833 562496944 /nfs/dbraw/zinc/49/69/44/562496944.db2.gz SFERRDMNHPENQV-FUHIMQAGSA-N 1 3 362.562 2.067 20 0 FEADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000533052833 562496945 /nfs/dbraw/zinc/49/69/45/562496945.db2.gz SFERRDMNHPENQV-FUHIMQAGSA-N 1 3 362.562 2.067 20 0 FEADHO C[C@@H](C(=O)NCCNc1cc[nH+]cc1)N1CCC(Cc2ccccc2)CC1 ZINC000534524825 562535855 /nfs/dbraw/zinc/53/58/55/562535855.db2.gz CFENYAMZDMKXOD-SFHVURJKSA-N 1 3 366.509 2.375 20 0 FEADHO CN(C)[C@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000534522061 562535972 /nfs/dbraw/zinc/53/59/72/562535972.db2.gz QGXKSHDXMILKMO-FQEVSTJZSA-N 1 3 358.530 2.333 20 0 FEADHO C[C@H](Cn1cc(Br)cn1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000536847973 562581255 /nfs/dbraw/zinc/58/12/55/562581255.db2.gz WQLCNUKOTUOEDI-DAXOMENPSA-N 1 3 371.323 2.002 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)[C@H](C)C1 ZINC000536854538 562581533 /nfs/dbraw/zinc/58/15/33/562581533.db2.gz XRDCRBBRRLLRND-PMXSJFBMSA-N 1 3 367.578 2.091 20 0 FEADHO COCCN1CC[C@@H]([NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000541537136 562614913 /nfs/dbraw/zinc/61/49/13/562614913.db2.gz KPWOXUPAHKLQFO-OAQYLSRUSA-N 1 3 374.573 2.208 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000669110398 567880244 /nfs/dbraw/zinc/88/02/44/567880244.db2.gz KVLRPVUDTIMRCA-IRFCIJBXSA-N 1 3 370.541 2.381 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669110456 567881390 /nfs/dbraw/zinc/88/13/90/567881390.db2.gz ZHDQOERQWQLQHA-ICSRJNTNSA-N 1 3 356.514 2.087 20 0 FEADHO CCOC(=O)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[nH]1 ZINC000602709246 568018701 /nfs/dbraw/zinc/01/87/01/568018701.db2.gz IQXKFTLVJZAXMG-GOSISDBHSA-N 1 3 357.454 2.048 20 0 FEADHO CCOC(=O)c1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[nH]1 ZINC000602709246 568018702 /nfs/dbraw/zinc/01/87/02/568018702.db2.gz IQXKFTLVJZAXMG-GOSISDBHSA-N 1 3 357.454 2.048 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000604191241 568223632 /nfs/dbraw/zinc/22/36/32/568223632.db2.gz PVDPZLGOCMDZRJ-QUCCMNQESA-N 1 3 374.529 2.232 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000604191241 568223633 /nfs/dbraw/zinc/22/36/33/568223633.db2.gz PVDPZLGOCMDZRJ-QUCCMNQESA-N 1 3 374.529 2.232 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000604205223 568228285 /nfs/dbraw/zinc/22/82/85/568228285.db2.gz JAXXSJMBBNTORX-IBGZPJMESA-N 1 3 356.514 2.449 20 0 FEADHO Cc1ccccc1C[N@@H+]1CCCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000604205223 568228286 /nfs/dbraw/zinc/22/82/86/568228286.db2.gz JAXXSJMBBNTORX-IBGZPJMESA-N 1 3 356.514 2.449 20 0 FEADHO Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000604205223 568228287 /nfs/dbraw/zinc/22/82/87/568228287.db2.gz JAXXSJMBBNTORX-IBGZPJMESA-N 1 3 356.514 2.449 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000623072326 568245705 /nfs/dbraw/zinc/24/57/05/568245705.db2.gz YPDAOBYNRRZSLY-MOPGFXCFSA-N 1 3 360.502 2.498 20 0 FEADHO COc1cc2c(cc1OC)CC[NH+](C[C@H](O)[C@@H](N)Cc1ccccc1)CC2 ZINC000563155282 568308973 /nfs/dbraw/zinc/30/89/73/568308973.db2.gz IYPBOEQSTKLQGM-PMACEKPBSA-N 1 3 370.493 2.035 20 0 FEADHO CCN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)[C@H](C)C1 ZINC000556925651 674428238 /nfs/dbraw/zinc/42/82/38/674428238.db2.gz XYMIMEIIZABIIG-GDBMZVCRSA-N 1 3 373.950 2.247 20 0 FEADHO CC[NH2+]CCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000557200026 674441877 /nfs/dbraw/zinc/44/18/77/674441877.db2.gz QNZRJDVLZKGEKF-UHFFFAOYSA-N 1 3 350.429 2.091 20 0 FEADHO C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821587345 606216882 /nfs/dbraw/zinc/21/68/82/606216882.db2.gz SLCFORAWRAIDAO-UHFFFAOYSA-N 1 3 372.498 2.201 20 0 FEADHO C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821587345 606216883 /nfs/dbraw/zinc/21/68/83/606216883.db2.gz SLCFORAWRAIDAO-UHFFFAOYSA-N 1 3 372.498 2.201 20 0 FEADHO OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826509388 608511994 /nfs/dbraw/zinc/51/19/94/608511994.db2.gz UKVYSGZPZPWIKU-PKOBYXMFSA-N 1 3 370.501 2.071 20 0 FEADHO OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826509388 608511995 /nfs/dbraw/zinc/51/19/95/608511995.db2.gz UKVYSGZPZPWIKU-PKOBYXMFSA-N 1 3 370.501 2.071 20 0 FEADHO OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826509388 608511996 /nfs/dbraw/zinc/51/19/96/608511996.db2.gz UKVYSGZPZPWIKU-PKOBYXMFSA-N 1 3 370.501 2.071 20 0 FEADHO OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826509388 608511997 /nfs/dbraw/zinc/51/19/97/608511997.db2.gz UKVYSGZPZPWIKU-PKOBYXMFSA-N 1 3 370.501 2.071 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000561281091 674653487 /nfs/dbraw/zinc/65/34/87/674653487.db2.gz WYBKODYREFGVHO-JCHJZTRSSA-N 1 3 351.535 2.384 20 0 FEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](O)COc1ccccc1Br ZINC000562960251 674827788 /nfs/dbraw/zinc/82/77/88/674827788.db2.gz MHUPXNWJSIIQPO-NFAWXSAZSA-N 1 3 357.292 2.167 20 0 FEADHO Cc1cccc(C)c1OC[C@H](O)CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000563618163 674918249 /nfs/dbraw/zinc/91/82/49/674918249.db2.gz ODRXWNASZYZTOO-RBUKOAKNSA-N 1 3 350.503 2.134 20 0 FEADHO Cc1cccc(C)c1OC[C@H](O)CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000563618163 674918250 /nfs/dbraw/zinc/91/82/50/674918250.db2.gz ODRXWNASZYZTOO-RBUKOAKNSA-N 1 3 350.503 2.134 20 0 FEADHO COc1ccc([C@H](CNC(=S)NCCC[NH+](C)C)N2CCCC2)cc1 ZINC000044511697 670191185 /nfs/dbraw/zinc/19/11/85/670191185.db2.gz CDAHYKINXKKWRJ-SFHVURJKSA-N 1 3 364.559 2.248 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](OC)C[C@@H]3C)CC2)CC1 ZINC000565370842 675115464 /nfs/dbraw/zinc/11/54/64/675115464.db2.gz AAKGRAVTBSXXLZ-LPHOPBHVSA-N 1 3 351.535 2.209 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@@H](C(C)C)C3)CC2)CC1 ZINC000571775199 670923862 /nfs/dbraw/zinc/92/38/62/670923862.db2.gz QNLZALGJSIBPOV-LJQANCHMSA-N 1 3 351.535 2.066 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CCO)C(C)(C)C)CC2)CC1 ZINC000572058861 670957130 /nfs/dbraw/zinc/95/71/30/670957130.db2.gz XLYCFVJGEVFIBN-GOSISDBHSA-N 1 3 353.551 2.096 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCC[C@@H]3OC)CC2)CC1 ZINC000576409806 671366764 /nfs/dbraw/zinc/36/67/64/671366764.db2.gz CGUAANIFKUPPCT-OALUTQOASA-N 1 3 351.535 2.257 20 0 FEADHO O=C(NCC[C@H]1CCC[NH2+]C1)NCC1(N2CCSCC2)CCCC1 ZINC000578306090 671655535 /nfs/dbraw/zinc/65/55/35/671655535.db2.gz OSAMSQIHZBPLGB-MRXNPFEDSA-N 1 3 354.564 2.037 20 0 FEADHO CCOC1CC(N(C)C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000579976245 671774543 /nfs/dbraw/zinc/77/45/43/671774543.db2.gz HMYNULDSLOSRJU-UHFFFAOYSA-N 1 3 351.535 2.209 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122907108 671972440 /nfs/dbraw/zinc/97/24/40/671972440.db2.gz NWYUJEPDFLVNRG-DLBZAZTESA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000583810344 672128435 /nfs/dbraw/zinc/12/84/35/672128435.db2.gz IFNXVEDMHDAADU-KBXCAEBGSA-N 1 3 365.905 2.297 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000237914557 672813960 /nfs/dbraw/zinc/81/39/60/672813960.db2.gz AUJIPSRJLAVWAL-ZWKOTPCHSA-N 1 3 365.905 2.427 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418578407 673191851 /nfs/dbraw/zinc/19/18/51/673191851.db2.gz IZQCFAIXQGAZIA-LSDHHAIUSA-N 1 3 354.445 2.308 20 0 FEADHO Cc1nn(C)c2nc(Cl)c(CNCCC[N@@H+]3CCCN(C)CC3)cc12 ZINC000729684450 673243928 /nfs/dbraw/zinc/24/39/28/673243928.db2.gz QBZPZMARPKNYNG-UHFFFAOYSA-N 1 3 364.925 2.047 20 0 FEADHO Cc1nn(C)c2nc(Cl)c(CNCCC[N@H+]3CCCN(C)CC3)cc12 ZINC000729684450 673243931 /nfs/dbraw/zinc/24/39/31/673243931.db2.gz QBZPZMARPKNYNG-UHFFFAOYSA-N 1 3 364.925 2.047 20 0 FEADHO C[NH+](C)CCOc1cc(CNC[C@H](O)c2cc(F)ccc2F)ccn1 ZINC000819197082 675268889 /nfs/dbraw/zinc/26/88/89/675268889.db2.gz XABGSTNCPZFRTO-KRWDZBQOSA-N 1 3 351.397 2.123 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)COC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000820834124 675392324 /nfs/dbraw/zinc/39/23/24/675392324.db2.gz DMLFHZFLKJECIA-GOSISDBHSA-N 1 3 365.543 2.238 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)[C@H]3CCCCO3)CC2)CC1 ZINC000630863387 676924471 /nfs/dbraw/zinc/92/44/71/676924471.db2.gz UXKJTCIDHYFBHN-GOSISDBHSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631980188 676968333 /nfs/dbraw/zinc/96/83/33/676968333.db2.gz ZNZIJZGDTMEIMR-INIZCTEOSA-N 1 3 353.532 2.083 20 0 FEADHO C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631980189 676968427 /nfs/dbraw/zinc/96/84/27/676968427.db2.gz ZNZIJZGDTMEIMR-MRXNPFEDSA-N 1 3 353.532 2.083 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CN[C@H]1CCCS(=O)(=O)CC1 ZINC000634952910 677086085 /nfs/dbraw/zinc/08/60/85/677086085.db2.gz LWUBRHFWFYTTRV-SFHVURJKSA-N 1 3 368.543 2.464 20 0 FEADHO COC[C@]1(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCCCN1 ZINC000638122267 677140524 /nfs/dbraw/zinc/14/05/24/677140524.db2.gz IMYDBEVVZRLWNN-SUMDDJOVSA-N 1 3 365.543 2.406 20 0 FEADHO COC[C@]1(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCCCN1 ZINC000638122267 677140525 /nfs/dbraw/zinc/14/05/25/677140525.db2.gz IMYDBEVVZRLWNN-SUMDDJOVSA-N 1 3 365.543 2.406 20 0 FEADHO CN(C)[C@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)c1c(F)cccc1F ZINC000638634048 677148224 /nfs/dbraw/zinc/14/82/24/677148224.db2.gz LVMZHVADQGBOJR-QGZVFWFLSA-N 1 3 355.473 2.392 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000638729566 677149424 /nfs/dbraw/zinc/14/94/24/677149424.db2.gz RWPHJWKIWVUMSA-MSOLQXFVSA-N 1 3 351.535 2.388 20 0 FEADHO C[NH+]1CCC(CNC(=S)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000760475299 680688990 /nfs/dbraw/zinc/68/89/90/680688990.db2.gz NBFMIKFSEFIOSD-IBGZPJMESA-N 1 3 360.571 2.457 20 0 FEADHO CC(C)(CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)NS(C)(=O)=O ZINC000647181462 677296952 /nfs/dbraw/zinc/29/69/52/677296952.db2.gz BWMJPJZFFHCOSJ-QGZVFWFLSA-N 1 3 365.543 2.101 20 0 FEADHO CC(C)(CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)NS(C)(=O)=O ZINC000647181462 677296953 /nfs/dbraw/zinc/29/69/53/677296953.db2.gz BWMJPJZFFHCOSJ-QGZVFWFLSA-N 1 3 365.543 2.101 20 0 FEADHO OC[C@@H](c1ccc(Cl)cc1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000649413675 677330710 /nfs/dbraw/zinc/33/07/10/677330710.db2.gz YTKGGJPFNHHPJU-LPHOPBHVSA-N 1 3 351.922 2.381 20 0 FEADHO OC[C@@H](c1ccc(Cl)cc1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000649413674 677330758 /nfs/dbraw/zinc/33/07/58/677330758.db2.gz YTKGGJPFNHHPJU-APWZRJJASA-N 1 3 351.922 2.381 20 0 FEADHO CN(CC1CCCCC1)C(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347518 677480770 /nfs/dbraw/zinc/48/07/70/677480770.db2.gz CVYASMMEJNZQTB-GBESFXJTSA-N 1 3 351.535 2.243 20 0 FEADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348150 677481124 /nfs/dbraw/zinc/48/11/24/677481124.db2.gz VZQOXNLALUIATC-LFDJNIOPSA-N 1 3 351.535 2.242 20 0 FEADHO CC(C)[C@H]([NH3+])CCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000659490003 678183445 /nfs/dbraw/zinc/18/34/45/678183445.db2.gz MOWZWQVSVZZZEL-YMAMQOFZSA-N 1 3 364.456 2.464 20 0 FEADHO O=S(=O)(Nc1ccccc1)[C@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662311854 678602923 /nfs/dbraw/zinc/60/29/23/678602923.db2.gz WNXCDEAEVRSTKR-WMZOPIPTSA-N 1 3 351.516 2.282 20 0 FEADHO N[C@@H](CC1CCCCC1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662613840 678643531 /nfs/dbraw/zinc/64/35/31/678643531.db2.gz JFXMYQQFIMSIPF-IBGZPJMESA-N 1 3 351.535 2.291 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000663845930 678797159 /nfs/dbraw/zinc/79/71/59/678797159.db2.gz CJCFNASYAASCJQ-BMGDILEWSA-N 1 3 350.482 2.253 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000663845930 678797162 /nfs/dbraw/zinc/79/71/62/678797162.db2.gz CJCFNASYAASCJQ-BMGDILEWSA-N 1 3 350.482 2.253 20 0 FEADHO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664330119 678864291 /nfs/dbraw/zinc/86/42/91/678864291.db2.gz ZGRDRTLAENLFAT-BZSNNMDCSA-N 1 3 356.555 2.009 20 0 FEADHO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664330119 678864295 /nfs/dbraw/zinc/86/42/95/678864295.db2.gz ZGRDRTLAENLFAT-BZSNNMDCSA-N 1 3 356.555 2.009 20 0 FEADHO COc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(OC)c1 ZINC000665173893 678944275 /nfs/dbraw/zinc/94/42/75/678944275.db2.gz BEHLSQJIFABTAN-AWEZNQCLSA-N 1 3 352.479 2.097 20 0 FEADHO COc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(OC)c1 ZINC000665173893 678944278 /nfs/dbraw/zinc/94/42/78/678944278.db2.gz BEHLSQJIFABTAN-AWEZNQCLSA-N 1 3 352.479 2.097 20 0 FEADHO C[NH+](C)CCCOC1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000665364277 678955208 /nfs/dbraw/zinc/95/52/08/678955208.db2.gz NDIWDPJRHMUNGE-INIZCTEOSA-N 1 3 354.539 2.002 20 0 FEADHO COCC[C@@H]1CCCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665760908 678982240 /nfs/dbraw/zinc/98/22/40/678982240.db2.gz RPRUGZDJJWXBTR-ROUUACIJSA-N 1 3 356.555 2.107 20 0 FEADHO COCC[C@@H]1CCCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665760908 678982241 /nfs/dbraw/zinc/98/22/41/678982241.db2.gz RPRUGZDJJWXBTR-ROUUACIJSA-N 1 3 356.555 2.107 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1Cc2cc(F)c(F)cc2C1 ZINC000665763996 678982883 /nfs/dbraw/zinc/98/28/83/678982883.db2.gz RBROWUSLXLRWIZ-ZDUSSCGKSA-N 1 3 354.445 2.262 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1Cc2cc(F)c(F)cc2C1 ZINC000665763996 678982886 /nfs/dbraw/zinc/98/28/86/678982886.db2.gz RBROWUSLXLRWIZ-ZDUSSCGKSA-N 1 3 354.445 2.262 20 0 FEADHO N[C@@H](C[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1)C1CC1 ZINC000666835033 679047877 /nfs/dbraw/zinc/04/78/77/679047877.db2.gz IWOYFORBUCVHHY-INIZCTEOSA-N 1 3 358.511 2.474 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(CCc2ccns2)CC3)CC[N@@H+]1C ZINC000990791924 680074142 /nfs/dbraw/zinc/07/41/42/680074142.db2.gz PNDITJZRWCWOKE-KLICCBINSA-N 1 3 362.543 2.139 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(CCc2ccns2)CC3)CC[N@H+]1C ZINC000990791924 680074149 /nfs/dbraw/zinc/07/41/49/680074149.db2.gz PNDITJZRWCWOKE-KLICCBINSA-N 1 3 362.543 2.139 20 0 FEADHO COc1ccc(Cl)c(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001022105122 680196151 /nfs/dbraw/zinc/19/61/51/680196151.db2.gz QJTJQDPGJMUXRK-JJAZEVLHSA-N 1 3 365.905 2.426 20 0 FEADHO COc1ccc(Cl)c(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001022105122 680196153 /nfs/dbraw/zinc/19/61/53/680196153.db2.gz QJTJQDPGJMUXRK-JJAZEVLHSA-N 1 3 365.905 2.426 20 0 FEADHO COc1ccc(Cl)cc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001022104113 680196250 /nfs/dbraw/zinc/19/62/50/680196250.db2.gz VWAQGTPITKNBTC-VDNDLQMASA-N 1 3 365.905 2.426 20 0 FEADHO COc1ccc(Cl)cc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001022104113 680196252 /nfs/dbraw/zinc/19/62/52/680196252.db2.gz VWAQGTPITKNBTC-VDNDLQMASA-N 1 3 365.905 2.426 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNCc3ccncc3Cl)C2)CC[N@@H+]1C ZINC000983713690 680323600 /nfs/dbraw/zinc/32/36/00/680323600.db2.gz LFZBERJCGXPWDY-OWIUFQIYSA-N 1 3 364.921 2.450 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNCc3ccncc3Cl)C2)CC[N@H+]1C ZINC000983713690 680323603 /nfs/dbraw/zinc/32/36/03/680323603.db2.gz LFZBERJCGXPWDY-OWIUFQIYSA-N 1 3 364.921 2.450 20 0 FEADHO CC[N@H+](C)C[C@H](O)CN(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000846822814 681295229 /nfs/dbraw/zinc/29/52/29/681295229.db2.gz PPBUSNANPINNPR-KRWDZBQOSA-N 1 3 355.523 2.163 20 0 FEADHO CC[N@@H+](C)C[C@H](O)CN(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000846822814 681295231 /nfs/dbraw/zinc/29/52/31/681295231.db2.gz PPBUSNANPINNPR-KRWDZBQOSA-N 1 3 355.523 2.163 20 0 FEADHO CN(C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccsc1 ZINC000914073701 685493487 /nfs/dbraw/zinc/49/34/87/685493487.db2.gz PRZIAFPGUWOTOF-OAGGEKHMSA-N 1 3 368.572 2.230 20 0 FEADHO CN(C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccsc1 ZINC000914073701 685493488 /nfs/dbraw/zinc/49/34/88/685493488.db2.gz PRZIAFPGUWOTOF-OAGGEKHMSA-N 1 3 368.572 2.230 20 0 FEADHO C[C@H](NCCn1cnc(Br)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851926105 682186324 /nfs/dbraw/zinc/18/63/24/682186324.db2.gz JCAWLOAWQZTHRE-QWHCGFSZSA-N 1 3 356.312 2.283 20 0 FEADHO C[C@H](NCCn1cnc(Br)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000851926105 682186327 /nfs/dbraw/zinc/18/63/27/682186327.db2.gz JCAWLOAWQZTHRE-QWHCGFSZSA-N 1 3 356.312 2.283 20 0 FEADHO C[C@H]([NH2+]CCn1cnc(Br)n1)[C@@H]1CCCN(C2CCC2)C1 ZINC000851926105 682186329 /nfs/dbraw/zinc/18/63/29/682186329.db2.gz JCAWLOAWQZTHRE-QWHCGFSZSA-N 1 3 356.312 2.283 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[NH+]1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000852216426 682241154 /nfs/dbraw/zinc/24/11/54/682241154.db2.gz DCCGPGMUUMACTL-MRXNPFEDSA-N 1 3 355.523 2.020 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCCN2CCc2ccns2)CC[N@@H+]1C ZINC000968863307 682246915 /nfs/dbraw/zinc/24/69/15/682246915.db2.gz DMTUDKCFYHXNIV-JFIYKMOQSA-N 1 3 364.559 2.387 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCCN2CCc2ccns2)CC[N@H+]1C ZINC000968863307 682246916 /nfs/dbraw/zinc/24/69/16/682246916.db2.gz DMTUDKCFYHXNIV-JFIYKMOQSA-N 1 3 364.559 2.387 20 0 FEADHO CC[C@H](C)CC[C@@H](O)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000793299954 682879063 /nfs/dbraw/zinc/87/90/63/682879063.db2.gz SLBFPYOAKMWGBY-QFBILLFUSA-N 1 3 353.551 2.239 20 0 FEADHO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000796674187 683183997 /nfs/dbraw/zinc/18/39/97/683183997.db2.gz GZLSUVYPQYKPGP-BBWFWOEESA-N 1 3 355.523 2.380 20 0 FEADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000796674201 683184289 /nfs/dbraw/zinc/18/42/89/683184289.db2.gz GZLSUVYPQYKPGP-YESZJQIVSA-N 1 3 355.523 2.380 20 0 FEADHO CC(C)[NH+](CCCNC(=O)NC[C@H]1CCN1C1CCOCC1)C(C)C ZINC000921150968 683401249 /nfs/dbraw/zinc/40/12/49/683401249.db2.gz XDIGFQZIZLHFIF-GOSISDBHSA-N 1 3 354.539 2.048 20 0 FEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnn(CC(F)F)c3)C2)[C@H]1C(C)C ZINC000922395366 683714402 /nfs/dbraw/zinc/71/44/02/683714402.db2.gz WNKKVZXOCINNLG-JOCBIADPSA-N 1 3 356.461 2.108 20 0 FEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnn(CC(F)F)c3)C2)[C@H]1C(C)C ZINC000922395366 683714406 /nfs/dbraw/zinc/71/44/06/683714406.db2.gz WNKKVZXOCINNLG-JOCBIADPSA-N 1 3 356.461 2.108 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000931185028 683848894 /nfs/dbraw/zinc/84/88/94/683848894.db2.gz IFRLAIKDBLKLKX-JKSUJKDBSA-N 1 3 355.523 2.209 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=S)NC1CCN(C)CC1 ZINC000865243919 683955285 /nfs/dbraw/zinc/95/52/85/683955285.db2.gz WCVBPIQJLFXRGD-SJLPKXTDSA-N 1 3 360.571 2.313 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=S)NC1CCN(C)CC1 ZINC000865243919 683955288 /nfs/dbraw/zinc/95/52/88/683955288.db2.gz WCVBPIQJLFXRGD-SJLPKXTDSA-N 1 3 360.571 2.313 20 0 FEADHO COC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCCCC1 ZINC000931216703 684242534 /nfs/dbraw/zinc/24/25/34/684242534.db2.gz JFVKGNHCYZPPES-UHFFFAOYSA-N 1 3 351.535 2.401 20 0 FEADHO Cc1ccc(S(=O)(=O)NCCN[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000925584030 684570882 /nfs/dbraw/zinc/57/08/82/684570882.db2.gz AIETUROLNCYPTL-IBGZPJMESA-N 1 3 361.511 2.343 20 0 FEADHO O=C(NCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1c(F)cccc1F ZINC000925598154 684572234 /nfs/dbraw/zinc/57/22/34/684572234.db2.gz UMCYCOAJPTVUQX-WMLDXEAASA-N 1 3 351.441 2.453 20 0 FEADHO [NH3+]CCC[C@@H](NC[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccccc1 ZINC000925707729 684579161 /nfs/dbraw/zinc/57/91/61/684579161.db2.gz RETXFYBOHLQJLG-DLBZAZTESA-N 1 3 360.479 2.291 20 0 FEADHO CC(C)[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)NC(=O)OC(C)(C)C ZINC000877030393 686314847 /nfs/dbraw/zinc/31/48/47/686314847.db2.gz CKZGOWJNZLUXTF-INIZCTEOSA-N 1 3 357.539 2.361 20 0 FEADHO C[NH+]1CCC2(CCN(Cc3cnc(N4CCOCC4)s3)CC2)CC1 ZINC000877684672 686436711 /nfs/dbraw/zinc/43/67/11/686436711.db2.gz SLNFRAOPWAWAIQ-UHFFFAOYSA-N 1 3 350.532 2.288 20 0 FEADHO CC(C)(C)S(=O)(=O)CCCN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000878389745 686577655 /nfs/dbraw/zinc/57/76/55/686577655.db2.gz RVDSSTVBTFZOEW-UHFFFAOYSA-N 1 3 374.591 2.414 20 0 FEADHO C(N1CC[C@H]2CSC[C@H]2C1)C1(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)COC1 ZINC000879562853 686856867 /nfs/dbraw/zinc/85/68/67/686856867.db2.gz MZKJBTZHNLGANU-FZDBZEDMSA-N 1 3 368.612 2.373 20 0 FEADHO C(N1CC[C@H]2CSC[C@H]2C1)C1(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)COC1 ZINC000879562853 686856877 /nfs/dbraw/zinc/85/68/77/686856877.db2.gz MZKJBTZHNLGANU-FZDBZEDMSA-N 1 3 368.612 2.373 20 0 FEADHO C(N1CC[C@@H]2CSC[C@@H]2C1)C1(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)COC1 ZINC000879562853 686856887 /nfs/dbraw/zinc/85/68/87/686856887.db2.gz MZKJBTZHNLGANU-FZDBZEDMSA-N 1 3 368.612 2.373 20 0 FEADHO C(N1CC[C@@H]2CSC[C@@H]2C1)C1(C[N@H+]2CC[C@H]3CSC[C@H]3C2)COC1 ZINC000879562853 686856895 /nfs/dbraw/zinc/85/68/95/686856895.db2.gz MZKJBTZHNLGANU-FZDBZEDMSA-N 1 3 368.612 2.373 20 0 FEADHO CN1C[C@@H]2C[N@H+](C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000897620669 690051344 /nfs/dbraw/zinc/05/13/44/690051344.db2.gz UTUROAWVMDDWAQ-CLCXKQKWSA-N 1 3 353.507 2.242 20 0 FEADHO CN1C[C@@H]2C[N@@H+](C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000897620669 690051345 /nfs/dbraw/zinc/05/13/45/690051345.db2.gz UTUROAWVMDDWAQ-CLCXKQKWSA-N 1 3 353.507 2.242 20 0 FEADHO C[C@@H]1CN(CC(=O)N(C)Cc2cc(Br)cs2)C[C@H]1CC[NH3+] ZINC000903496856 690901356 /nfs/dbraw/zinc/90/13/56/690901356.db2.gz HNWVCAKLJDEXAR-VXGBXAGGSA-N 1 3 374.348 2.386 20 0 FEADHO COc1ccc(CN(C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1OC(F)F ZINC000903725053 690967351 /nfs/dbraw/zinc/96/73/51/690967351.db2.gz VQZRXTDTVBSKJY-KBXCAEBGSA-N 1 3 356.413 2.497 20 0 FEADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cc(Cl)cc2c1OCC2 ZINC000904444648 691028860 /nfs/dbraw/zinc/02/88/60/691028860.db2.gz RHEGOJMITNJTKJ-QWHCGFSZSA-N 1 3 351.878 2.123 20 0 FEADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000905080991 691064869 /nfs/dbraw/zinc/06/48/69/691064869.db2.gz FTAIUZNIRCCYQX-XJKSGUPXSA-N 1 3 374.312 2.204 20 0 FEADHO C[C@](O)(C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)C(F)(F)C(F)(F)F ZINC000905126050 691071061 /nfs/dbraw/zinc/07/10/61/691071061.db2.gz CQCXFKGOGYNZFX-YPMHNXCESA-N 1 3 360.367 2.026 20 0 FEADHO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1ccc([C@@H]2CCCCN2CC)cn1 ZINC001164616517 719019195 /nfs/dbraw/zinc/01/91/95/719019195.db2.gz KWSZBPIYGPJVDD-YDZRNGNQSA-N 1 3 372.513 2.358 20 0 FEADHO C[NH+](C)Cc1ccnc(N2CCCn3cnc(CNC4CCC4)c3C2)c1 ZINC001164845317 720740878 /nfs/dbraw/zinc/74/08/78/720740878.db2.gz ZNKYJGAIMKULJT-UHFFFAOYSA-N 1 3 354.502 2.392 20 0 FEADHO C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)N1CCCC1 ZINC000041599197 540027037 /nfs/dbraw/zinc/02/70/37/540027037.db2.gz DVQWKVFKBAZXBR-QGZVFWFLSA-N 1 3 372.513 2.212 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)CCOc3ccccc3F)CC2)CC1 ZINC000050800091 540414333 /nfs/dbraw/zinc/41/43/33/540414333.db2.gz HFXARJPGQJYFFT-UHFFFAOYSA-N 1 3 363.477 2.269 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3nc4ccccc4[nH]3)CC2)CC1 ZINC000050800871 540414177 /nfs/dbraw/zinc/41/41/77/540414177.db2.gz BKWZMGQCCPTLHN-UHFFFAOYSA-N 1 3 369.513 2.170 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CCCC3)C2)[C@@H](C)C1 ZINC000247393458 549328155 /nfs/dbraw/zinc/32/81/55/549328155.db2.gz ZXOXBEVZXFECKR-OTWHNJEPSA-N 1 3 366.550 2.003 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CCCC3)C2)[C@@H](C)C1 ZINC000247393458 549328158 /nfs/dbraw/zinc/32/81/58/549328158.db2.gz ZXOXBEVZXFECKR-OTWHNJEPSA-N 1 3 366.550 2.003 20 0 FEADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000072855527 541881623 /nfs/dbraw/zinc/88/16/23/541881623.db2.gz NSMSTJBVZWAPEW-LJQANCHMSA-N 1 3 374.529 2.110 20 0 FEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000073125201 541921405 /nfs/dbraw/zinc/92/14/05/541921405.db2.gz KCKHCRMCKFDUEJ-FQEVSTJZSA-N 1 3 372.557 2.355 20 0 FEADHO CC[N@H+]1CCC[C@@H](CNC(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000073125201 541921408 /nfs/dbraw/zinc/92/14/08/541921408.db2.gz KCKHCRMCKFDUEJ-FQEVSTJZSA-N 1 3 372.557 2.355 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000073489050 541958105 /nfs/dbraw/zinc/95/81/05/541958105.db2.gz YOJQOWGAYZXTQM-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000074249552 542058544 /nfs/dbraw/zinc/05/85/44/542058544.db2.gz OYPREYZYFPLEMA-SFHVURJKSA-N 1 3 361.534 2.219 20 0 FEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000074249552 542058547 /nfs/dbraw/zinc/05/85/47/542058547.db2.gz OYPREYZYFPLEMA-SFHVURJKSA-N 1 3 361.534 2.219 20 0 FEADHO Cc1cnc([C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C2CC2)s1 ZINC000074705754 542114359 /nfs/dbraw/zinc/11/43/59/542114359.db2.gz PUHMEWHLXNFUPL-OAHLLOKOSA-N 1 3 353.536 2.037 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)c1 ZINC000076672181 542311682 /nfs/dbraw/zinc/31/16/82/542311682.db2.gz CJPXMPKDAMETRM-SFHVURJKSA-N 1 3 374.529 2.267 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)c1 ZINC000076672181 542311684 /nfs/dbraw/zinc/31/16/84/542311684.db2.gz CJPXMPKDAMETRM-SFHVURJKSA-N 1 3 374.529 2.267 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000081444677 542657234 /nfs/dbraw/zinc/65/72/34/542657234.db2.gz SOBNYEKTOGSCCO-CTNGQTDRSA-N 1 3 372.557 2.387 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000081444677 542657238 /nfs/dbraw/zinc/65/72/38/542657238.db2.gz SOBNYEKTOGSCCO-CTNGQTDRSA-N 1 3 372.557 2.387 20 0 FEADHO COC(=O)CCn1nc(C)c(CN2CCC(CC[NH+](C)C)CC2)c1C ZINC000092381120 542861411 /nfs/dbraw/zinc/86/14/11/542861411.db2.gz ITOHBNNUEDGNHJ-UHFFFAOYSA-N 1 3 350.507 2.227 20 0 FEADHO CN(c1ccccc1C[N@@H+]1CCCC[C@@H]1CC(N)=O)C1CCN(C)CC1 ZINC000092588768 542873413 /nfs/dbraw/zinc/87/34/13/542873413.db2.gz NUOFYJUFKSGREW-LJQANCHMSA-N 1 3 358.530 2.447 20 0 FEADHO CN(c1ccccc1C[N@H+]1CCCC[C@@H]1CC(N)=O)C1CCN(C)CC1 ZINC000092588768 542873416 /nfs/dbraw/zinc/87/34/16/542873416.db2.gz NUOFYJUFKSGREW-LJQANCHMSA-N 1 3 358.530 2.447 20 0 FEADHO C[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821120 542887980 /nfs/dbraw/zinc/88/79/80/542887980.db2.gz OFKMDEUETJASGM-PXNSSMCTSA-N 1 3 374.529 2.304 20 0 FEADHO CC(C)Oc1ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000103213189 543097237 /nfs/dbraw/zinc/09/72/37/543097237.db2.gz GGTUMTZEWNCQHF-UHFFFAOYSA-N 1 3 356.898 2.088 20 0 FEADHO CCN(C)[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000112921872 543468659 /nfs/dbraw/zinc/46/86/59/543468659.db2.gz JPIIQKUQGSCVPV-ICSRJNTNSA-N 1 3 360.546 2.069 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115813341 543587706 /nfs/dbraw/zinc/58/77/06/543587706.db2.gz HXRZWJWVVOPMAU-KRWDZBQOSA-N 1 3 362.518 2.110 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000115813341 543587710 /nfs/dbraw/zinc/58/77/10/543587710.db2.gz HXRZWJWVVOPMAU-KRWDZBQOSA-N 1 3 362.518 2.110 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CN1C1CC1 ZINC000124719334 543838778 /nfs/dbraw/zinc/83/87/78/543838778.db2.gz QPMRJJWFNDDEHP-SJLPKXTDSA-N 1 3 374.529 2.442 20 0 FEADHO COCCCN1CCC(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000127694206 544008716 /nfs/dbraw/zinc/00/87/16/544008716.db2.gz BNCBLKWDVNQVLB-GOSISDBHSA-N 1 3 368.566 2.155 20 0 FEADHO COCCCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000127694206 544008719 /nfs/dbraw/zinc/00/87/19/544008719.db2.gz BNCBLKWDVNQVLB-GOSISDBHSA-N 1 3 368.566 2.155 20 0 FEADHO CN(CCOc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127487257 543995874 /nfs/dbraw/zinc/99/58/74/543995874.db2.gz HQJIMMCJBGOCFF-UHFFFAOYSA-N 1 3 374.529 2.265 20 0 FEADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(-n2ccnc2)cc1 ZINC000128126399 544034259 /nfs/dbraw/zinc/03/42/59/544034259.db2.gz MBTDLUNBKXCFJS-WMZOPIPTSA-N 1 3 355.486 2.110 20 0 FEADHO C[C@@H](Cn1cc(Br)cn1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132964233 544250186 /nfs/dbraw/zinc/25/01/86/544250186.db2.gz FXDUVVJIFSQYNO-KBPBESRZSA-N 1 3 371.323 2.125 20 0 FEADHO Cc1nc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1Br ZINC000133624462 544277007 /nfs/dbraw/zinc/27/70/07/544277007.db2.gz VCLLFAYDESTLGU-UHFFFAOYSA-N 1 3 372.311 2.110 20 0 FEADHO CSCC[C@H](C)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000152622448 544675287 /nfs/dbraw/zinc/67/52/87/544675287.db2.gz HEQDGCVDYHOWNZ-HNNXBMFYSA-N 1 3 356.580 2.328 20 0 FEADHO CCCN1CCCN(C(=O)N[C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000153241464 544750474 /nfs/dbraw/zinc/75/04/74/544750474.db2.gz BYKJUOLMBOIXED-RBUKOAKNSA-N 1 3 368.566 2.251 20 0 FEADHO CCCN1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000153241464 544750485 /nfs/dbraw/zinc/75/04/85/544750485.db2.gz BYKJUOLMBOIXED-RBUKOAKNSA-N 1 3 368.566 2.251 20 0 FEADHO C[N@H+](CCCNC(=O)[C@@H]1CCCN1C1CCOCC1)Cc1ccccc1 ZINC000153674978 544806673 /nfs/dbraw/zinc/80/66/73/544806673.db2.gz WMMFQFOOXMFKIM-FQEVSTJZSA-N 1 3 359.514 2.268 20 0 FEADHO C[N@@H+](CCCNC(=O)[C@@H]1CCCN1C1CCOCC1)Cc1ccccc1 ZINC000153674978 544806678 /nfs/dbraw/zinc/80/66/78/544806678.db2.gz WMMFQFOOXMFKIM-FQEVSTJZSA-N 1 3 359.514 2.268 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154383121 544898661 /nfs/dbraw/zinc/89/86/61/544898661.db2.gz GXQLURCTOIDDJD-OAQYLSRUSA-N 1 3 371.525 2.194 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000154383121 544898664 /nfs/dbraw/zinc/89/86/64/544898664.db2.gz GXQLURCTOIDDJD-OAQYLSRUSA-N 1 3 371.525 2.194 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154383011 544898710 /nfs/dbraw/zinc/89/87/10/544898710.db2.gz GXQLURCTOIDDJD-NRFANRHFSA-N 1 3 371.525 2.194 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000154383011 544898712 /nfs/dbraw/zinc/89/87/12/544898712.db2.gz GXQLURCTOIDDJD-NRFANRHFSA-N 1 3 371.525 2.194 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)c2[nH]nc3c2CNCC3)CC[N@@H+]1Cc1ccccc1 ZINC000188765830 328109477 /nfs/dbraw/zinc/10/94/77/328109477.db2.gz JBXXDSSMEOLONO-WBVHZDCISA-N 1 3 367.497 2.181 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)c2[nH]nc3c2CNCC3)CC[N@H+]1Cc1ccccc1 ZINC000188765830 328109478 /nfs/dbraw/zinc/10/94/78/328109478.db2.gz JBXXDSSMEOLONO-WBVHZDCISA-N 1 3 367.497 2.181 20 0 FEADHO FC(F)C(F)(F)COCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000189490040 328151187 /nfs/dbraw/zinc/15/11/87/328151187.db2.gz WSKFKUNIXPIYGM-UHFFFAOYSA-N 1 3 356.404 2.480 20 0 FEADHO C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000192523624 328323415 /nfs/dbraw/zinc/32/34/15/328323415.db2.gz FKEHPWJZSTWJTQ-DZFGPLHGSA-N 1 3 355.526 2.350 20 0 FEADHO C[C@@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000192523624 328323416 /nfs/dbraw/zinc/32/34/16/328323416.db2.gz FKEHPWJZSTWJTQ-DZFGPLHGSA-N 1 3 355.526 2.350 20 0 FEADHO C[C@H]([NH3+])CCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000193318063 328368586 /nfs/dbraw/zinc/36/85/86/328368586.db2.gz JZVHDDTWVHEBIH-AWEZNQCLSA-N 1 3 353.894 2.427 20 0 FEADHO C[NH2+]CC1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CC1 ZINC000237081869 328503553 /nfs/dbraw/zinc/50/35/53/328503553.db2.gz OIFNFHIEBKPUGC-UHFFFAOYSA-N 1 3 358.530 2.289 20 0 FEADHO C[C@]1(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCC[NH2+]C1 ZINC000237551145 328519840 /nfs/dbraw/zinc/51/98/40/328519840.db2.gz LDMWDBQYSBLQQS-NRFANRHFSA-N 1 3 358.530 2.095 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000081234311 325164162 /nfs/dbraw/zinc/16/41/62/325164162.db2.gz RCYDNOGPIMVEPV-UHFFFAOYSA-N 1 3 360.546 2.211 20 0 FEADHO CCN1CCN(c2ccccc2C[NH+]2CCC(c3nncn3C)CC2)CC1 ZINC000091795437 325394252 /nfs/dbraw/zinc/39/42/52/325394252.db2.gz SJYRQCNFBJXUHS-UHFFFAOYSA-N 1 3 368.529 2.337 20 0 FEADHO C[NH+]1CCC(NC(=O)NCC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000107387128 325627212 /nfs/dbraw/zinc/62/72/12/325627212.db2.gz CHRIDNAVJUZHDF-UHFFFAOYSA-N 1 3 362.493 2.431 20 0 FEADHO C[NH+](C)C1(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CCOCC1 ZINC000114015893 325868959 /nfs/dbraw/zinc/86/89/59/325868959.db2.gz FQPWKNXWROQPKN-LJQANCHMSA-N 1 3 374.529 2.234 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116589861 326026390 /nfs/dbraw/zinc/02/63/90/326026390.db2.gz PYUXVFMELRRQLU-QGZVFWFLSA-N 1 3 362.518 2.169 20 0 FEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000119682912 326187510 /nfs/dbraw/zinc/18/75/10/326187510.db2.gz KWOGOLJJELBJIT-FQEVSTJZSA-N 1 3 372.557 2.293 20 0 FEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000119682912 326187513 /nfs/dbraw/zinc/18/75/13/326187513.db2.gz KWOGOLJJELBJIT-FQEVSTJZSA-N 1 3 372.557 2.293 20 0 FEADHO COc1ccc(CN2CCC(C[NH2+]C3CCN(C(N)=O)CC3)CC2)cc1 ZINC000120665213 326277373 /nfs/dbraw/zinc/27/73/73/326277373.db2.gz TYPMAETZMSCODP-UHFFFAOYSA-N 1 3 360.502 2.040 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000121385187 326334518 /nfs/dbraw/zinc/33/45/18/326334518.db2.gz YRHHYAHOICULRW-SJORKVTESA-N 1 3 367.559 2.014 20 0 FEADHO [NH3+]C1(CNC(=O)CCN2CCN(c3ccccc3)CC2)CCCCCC1 ZINC000122488239 326398799 /nfs/dbraw/zinc/39/87/99/326398799.db2.gz FGBTWFDXMIPQKL-UHFFFAOYSA-N 1 3 358.530 2.367 20 0 FEADHO O=C(C[C@H]1CC[NH2+]C1)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000130905549 326565479 /nfs/dbraw/zinc/56/54/79/326565479.db2.gz VEMJRIUJOAJMOC-LJQANCHMSA-N 1 3 359.514 2.174 20 0 FEADHO CN(c1ccccc1CNC[C@@H](O)COCC1CC1)C1CC[NH+](C)CC1 ZINC000133491284 326609794 /nfs/dbraw/zinc/60/97/94/326609794.db2.gz NMTDUSBILXULJL-HXUWFJFHSA-N 1 3 361.530 2.094 20 0 FEADHO Cc1noc(C)c1CCN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000165989888 327079998 /nfs/dbraw/zinc/07/99/98/327079998.db2.gz YZNWSXZMTIWLHP-UHFFFAOYSA-N 1 3 364.534 2.250 20 0 FEADHO O=C(C[NH2+]CC1CC1)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000169223998 327088073 /nfs/dbraw/zinc/08/80/73/327088073.db2.gz HSMHDTAJRZBPIL-UHFFFAOYSA-N 1 3 365.905 2.299 20 0 FEADHO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000170969200 327110425 /nfs/dbraw/zinc/11/04/25/327110425.db2.gz BODKSPQHCRLTQO-GOSISDBHSA-N 1 3 358.530 2.289 20 0 FEADHO CC[N@H+]1CC[C@H](CNC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000170969200 327110426 /nfs/dbraw/zinc/11/04/26/327110426.db2.gz BODKSPQHCRLTQO-GOSISDBHSA-N 1 3 358.530 2.289 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)C[C@@H]2CCCOC2)CC1 ZINC000171637399 327150407 /nfs/dbraw/zinc/15/04/07/327150407.db2.gz VFLAOJPCHOYMEF-IBGZPJMESA-N 1 3 373.541 2.434 20 0 FEADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000172292683 327193102 /nfs/dbraw/zinc/19/31/02/327193102.db2.gz BVMOYGLIAMELPR-GOSISDBHSA-N 1 3 372.513 2.021 20 0 FEADHO Cc1cc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)c2ccccc2n1 ZINC000172416992 327200623 /nfs/dbraw/zinc/20/06/23/327200623.db2.gz FPTGUDUEMXRODR-UHFFFAOYSA-N 1 3 354.498 2.433 20 0 FEADHO Cc1cc2c(cc1C)O[C@H](C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)C2 ZINC000172929664 327226387 /nfs/dbraw/zinc/22/63/87/327226387.db2.gz UAOZWTHXDYCYNV-NRFANRHFSA-N 1 3 371.525 2.282 20 0 FEADHO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000173567998 327267152 /nfs/dbraw/zinc/26/71/52/327267152.db2.gz SNFJJLCZEAANTC-FQEVSTJZSA-N 1 3 354.498 2.438 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000173695284 327277508 /nfs/dbraw/zinc/27/75/08/327277508.db2.gz LQSTZVATMYJZFK-UHFFFAOYSA-N 1 3 358.530 2.188 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2cccc(OCCN(C)C)c2)CC[N@@H+]1C ZINC000173755141 327281673 /nfs/dbraw/zinc/28/16/73/327281673.db2.gz BZTBUACCXSNFLF-AEFFLSMTSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2cccc(OCCN(C)C)c2)CC[N@H+]1C ZINC000173755141 327281674 /nfs/dbraw/zinc/28/16/74/327281674.db2.gz BZTBUACCXSNFLF-AEFFLSMTSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCN1C ZINC000173755141 327281675 /nfs/dbraw/zinc/28/16/75/327281675.db2.gz BZTBUACCXSNFLF-AEFFLSMTSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173859156 327289400 /nfs/dbraw/zinc/28/94/00/327289400.db2.gz CKUOYEONKHKXNO-GOSISDBHSA-N 1 3 366.550 2.147 20 0 FEADHO CN(C)CCn1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000173935977 327295710 /nfs/dbraw/zinc/29/57/10/327295710.db2.gz KHTFCDNNHKCVIF-UHFFFAOYSA-N 1 3 370.501 2.362 20 0 FEADHO CCc1ccc([C@@H](CNC(=O)Nc2ccn(CC[NH+](C)C)n2)N(C)C)cc1 ZINC000173952221 327297064 /nfs/dbraw/zinc/29/70/64/327297064.db2.gz UNYPBBJZCQPPJO-GOSISDBHSA-N 1 3 372.517 2.432 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc2)CC1 ZINC000174319517 327319333 /nfs/dbraw/zinc/31/93/33/327319333.db2.gz RIJIDTPWQMRGIN-LJQANCHMSA-N 1 3 370.541 2.386 20 0 FEADHO CCC(CC)(CCO)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000174467702 327328697 /nfs/dbraw/zinc/32/86/97/327328697.db2.gz HPKSFFXQDPBBHZ-UHFFFAOYSA-N 1 3 368.566 2.033 20 0 FEADHO C[C@H](C(=O)Nc1cccc2ncccc21)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174712430 327345057 /nfs/dbraw/zinc/34/50/57/327345057.db2.gz NEWDGPLOFNFPIQ-QGZVFWFLSA-N 1 3 369.513 2.131 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000176277971 327445460 /nfs/dbraw/zinc/44/54/60/327445460.db2.gz CBFIPPIGGLWHHE-GOSISDBHSA-N 1 3 368.566 2.295 20 0 FEADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000261801487 328820848 /nfs/dbraw/zinc/82/08/48/328820848.db2.gz QXTLCZSEZJERLM-KBXCAEBGSA-N 1 3 373.501 2.358 20 0 FEADHO C[C@@H](CC(=O)NCc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000262637311 328877941 /nfs/dbraw/zinc/87/79/41/328877941.db2.gz IIUGZVZOANRZRG-PXNSSMCTSA-N 1 3 373.541 2.285 20 0 FEADHO [NH3+][C@@H]1CCC[C@H](C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000262665578 328879586 /nfs/dbraw/zinc/87/95/86/328879586.db2.gz PIJYXFKIQDHNBO-ZCNNSNEGSA-N 1 3 359.514 2.066 20 0 FEADHO COc1cccc(OC)c1OC[C@H](O)CN1CCC(CC[NH+](C)C)CC1 ZINC000264449071 329024327 /nfs/dbraw/zinc/02/43/27/329024327.db2.gz NSMJYEWZXNQSEL-QGZVFWFLSA-N 1 3 366.502 2.107 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000266822287 329263133 /nfs/dbraw/zinc/26/31/33/329263133.db2.gz FZQAULQZUZRXNZ-QUCCMNQESA-N 1 3 358.530 2.140 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000266822287 329263134 /nfs/dbraw/zinc/26/31/34/329263134.db2.gz FZQAULQZUZRXNZ-QUCCMNQESA-N 1 3 358.530 2.140 20 0 FEADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266853408 329266018 /nfs/dbraw/zinc/26/60/18/329266018.db2.gz SMEFQSKALVQIFN-PMACEKPBSA-N 1 3 356.514 2.388 20 0 FEADHO c1c[nH]c([C@H]2CCCN(CCOCC[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000267429198 329326185 /nfs/dbraw/zinc/32/61/85/329326185.db2.gz MESLJRFYJVIZQO-ROUUACIJSA-N 1 3 372.517 2.208 20 0 FEADHO c1c[nH]c([C@H]2CCCN(CCOCC[N@H+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000267429198 329326186 /nfs/dbraw/zinc/32/61/86/329326186.db2.gz MESLJRFYJVIZQO-ROUUACIJSA-N 1 3 372.517 2.208 20 0 FEADHO CN(c1ccccc1CNCCN1CCSCC1)C1CC[NH+](C)CC1 ZINC000268309250 329406959 /nfs/dbraw/zinc/40/69/59/329406959.db2.gz BCMDYAOWIQJUDD-UHFFFAOYSA-N 1 3 362.587 2.355 20 0 FEADHO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1cccc(OCCN(C)C)c1 ZINC000274779388 329979445 /nfs/dbraw/zinc/97/94/45/329979445.db2.gz KDOLUBQQHQZESI-MRXNPFEDSA-N 1 3 356.532 2.493 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000275174370 330018679 /nfs/dbraw/zinc/01/86/79/330018679.db2.gz CMSPRZXGSNVDQA-YZGWKJHDSA-N 1 3 358.530 2.490 20 0 FEADHO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000367253033 330236437 /nfs/dbraw/zinc/23/64/37/330236437.db2.gz STJQJPHUFOLCBR-WOJBJXKFSA-N 1 3 364.578 2.268 20 0 FEADHO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000367253033 330236439 /nfs/dbraw/zinc/23/64/39/330236439.db2.gz STJQJPHUFOLCBR-WOJBJXKFSA-N 1 3 364.578 2.268 20 0 FEADHO CC[C@H](CNC(=O)CCCN1CCC([NH3+])CC1)N1CCc2ccccc2C1 ZINC000433156120 330273608 /nfs/dbraw/zinc/27/36/08/330273608.db2.gz AATNLKJANRXOTP-OAQYLSRUSA-N 1 3 372.557 2.143 20 0 FEADHO CC[NH+]1CCC(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC1 ZINC000155329297 545511753 /nfs/dbraw/zinc/51/17/53/545511753.db2.gz BAYCCOYOCVQRGE-UHFFFAOYSA-N 1 3 359.514 2.105 20 0 FEADHO C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000159053726 545917720 /nfs/dbraw/zinc/91/77/20/545917720.db2.gz BOQSUEDMCZACMZ-SFHVURJKSA-N 1 3 369.513 2.277 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000177849493 546695336 /nfs/dbraw/zinc/69/53/36/546695336.db2.gz BPLYYIWATNHZHB-SFHVURJKSA-N 1 3 362.518 2.110 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000177849493 546695340 /nfs/dbraw/zinc/69/53/40/546695340.db2.gz BPLYYIWATNHZHB-SFHVURJKSA-N 1 3 362.518 2.110 20 0 FEADHO C[C@@H]1CCC[C@@](CNC(=O)NC[C@@]2(N(C)C)CCSC2)([NH+](C)C)C1 ZINC000481285904 561229726 /nfs/dbraw/zinc/22/97/26/561229726.db2.gz BMQLEISMEKQACC-NXHRZFHOSA-N 1 3 356.580 2.233 20 0 FEADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000178040270 546728724 /nfs/dbraw/zinc/72/87/24/546728724.db2.gz APUISHPEQMKSCK-BBWFWOEESA-N 1 3 358.490 2.202 20 0 FEADHO CCCN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000178893149 546868699 /nfs/dbraw/zinc/86/86/99/546868699.db2.gz UHKGODCORURSQE-FQEVSTJZSA-N 1 3 358.530 2.189 20 0 FEADHO CCCN(C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000178934657 546876714 /nfs/dbraw/zinc/87/67/14/546876714.db2.gz UAAWYDJYZRJBDH-FQEVSTJZSA-N 1 3 358.530 2.431 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C[C@@H](C)O)CC1 ZINC000179080082 546896126 /nfs/dbraw/zinc/89/61/26/546896126.db2.gz GWLQFSDDJPMNLW-TZIWHRDSSA-N 1 3 373.541 2.265 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)CC1 ZINC000179080082 546896132 /nfs/dbraw/zinc/89/61/32/546896132.db2.gz GWLQFSDDJPMNLW-TZIWHRDSSA-N 1 3 373.541 2.265 20 0 FEADHO CN(C)[C@@]1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCSC1 ZINC000481800770 561242559 /nfs/dbraw/zinc/24/25/59/561242559.db2.gz LGGGHPZBLNFMJZ-SJLPKXTDSA-N 1 3 354.564 2.084 20 0 FEADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000179760631 547010072 /nfs/dbraw/zinc/01/00/72/547010072.db2.gz YZSUEVAHMAYNPL-UHFFFAOYSA-N 1 3 373.497 2.413 20 0 FEADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000179760631 547010077 /nfs/dbraw/zinc/01/00/77/547010077.db2.gz YZSUEVAHMAYNPL-UHFFFAOYSA-N 1 3 373.497 2.413 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccc(C)cn2)[C@@H](C)C1 ZINC000482949629 561263772 /nfs/dbraw/zinc/26/37/72/561263772.db2.gz QZDCDUHQBMMGRE-ZWKOTPCHSA-N 1 3 362.518 2.445 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2ccc(C)cn2)[C@@H](C)C1 ZINC000482949629 561263773 /nfs/dbraw/zinc/26/37/73/561263773.db2.gz QZDCDUHQBMMGRE-ZWKOTPCHSA-N 1 3 362.518 2.445 20 0 FEADHO CC(C)(CNC(=O)CC1(N2CCOCC2)CCCC1)C[NH+]1CCCC1 ZINC000482955478 561263819 /nfs/dbraw/zinc/26/38/19/561263819.db2.gz ZUZDXVRSIVAGKU-UHFFFAOYSA-N 1 3 351.535 2.260 20 0 FEADHO CN(C)CCOC1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000483168592 561269433 /nfs/dbraw/zinc/26/94/33/561269433.db2.gz MRPHXAJVCRJZJZ-QGZVFWFLSA-N 1 3 351.535 2.210 20 0 FEADHO CN(C)CCOC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000483168592 561269434 /nfs/dbraw/zinc/26/94/34/561269434.db2.gz MRPHXAJVCRJZJZ-QGZVFWFLSA-N 1 3 351.535 2.210 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCCN(c3cnn(C)c3)C2)[C@H](C)C1 ZINC000483746260 561283272 /nfs/dbraw/zinc/28/32/72/561283272.db2.gz NGONPSIWRURPQO-HBFSDRIKSA-N 1 3 363.550 2.116 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCCN(c3cnn(C)c3)C2)[C@H](C)C1 ZINC000483746260 561283273 /nfs/dbraw/zinc/28/32/73/561283273.db2.gz NGONPSIWRURPQO-HBFSDRIKSA-N 1 3 363.550 2.116 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000182432413 547491557 /nfs/dbraw/zinc/49/15/57/547491557.db2.gz MVKIUXHDTWAFFX-AABGKKOBSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000182432413 547491561 /nfs/dbraw/zinc/49/15/61/547491561.db2.gz MVKIUXHDTWAFFX-AABGKKOBSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)[C@]1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCSC1 ZINC000483820059 561284616 /nfs/dbraw/zinc/28/46/16/561284616.db2.gz OBQGBBNQGYSKLY-SFHVURJKSA-N 1 3 354.564 2.130 20 0 FEADHO C[C@H](CS(C)(=O)=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000183072965 547595558 /nfs/dbraw/zinc/59/55/58/547595558.db2.gz NSZJLLRUJHLLTI-QGZVFWFLSA-N 1 3 368.543 2.080 20 0 FEADHO CC(C)N1CCC([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000184959515 547907457 /nfs/dbraw/zinc/90/74/57/547907457.db2.gz YBDRIWWHPLEHMG-UHFFFAOYSA-N 1 3 351.516 2.189 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000485606434 561323845 /nfs/dbraw/zinc/32/38/45/561323845.db2.gz BWBQWPDLGIBJHW-WMZOPIPTSA-N 1 3 366.550 2.002 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000485606434 561323846 /nfs/dbraw/zinc/32/38/46/561323846.db2.gz BWBQWPDLGIBJHW-WMZOPIPTSA-N 1 3 366.550 2.002 20 0 FEADHO CCc1ccc([C@H](CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)N(C)C)cc1 ZINC000485807873 561328622 /nfs/dbraw/zinc/32/86/22/561328622.db2.gz VPTYNLGBMODDMB-LPHOPBHVSA-N 1 3 355.486 2.082 20 0 FEADHO O=C(Nc1cccc(CN2CCCCC2)c1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000485814825 561328869 /nfs/dbraw/zinc/32/88/69/561328869.db2.gz HCYDHAWLMPCEMM-GOSISDBHSA-N 1 3 368.485 2.441 20 0 FEADHO CN(C)C1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)Cc2ccccc2C1 ZINC000486086848 561337770 /nfs/dbraw/zinc/33/77/70/561337770.db2.gz DIKMJQLCVPVFLI-VQTJNVASSA-N 1 3 370.541 2.211 20 0 FEADHO CN(C)C1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)Cc2ccccc2C1 ZINC000486086848 561337771 /nfs/dbraw/zinc/33/77/71/561337771.db2.gz DIKMJQLCVPVFLI-VQTJNVASSA-N 1 3 370.541 2.211 20 0 FEADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CN2CCN1CCC2 ZINC000486673988 561354079 /nfs/dbraw/zinc/35/40/79/561354079.db2.gz ICPFWIKZHAGGCJ-NRFANRHFSA-N 1 3 370.541 2.069 20 0 FEADHO CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000236737947 548776983 /nfs/dbraw/zinc/77/69/83/548776983.db2.gz JRCUGWUNWWMVKH-ROUUACIJSA-N 1 3 360.502 2.165 20 0 FEADHO C[C@@H](NC1(CNC(=O)CC2CC[NH2+]CC2)CCOCC1)c1ccccc1 ZINC000237400835 548823156 /nfs/dbraw/zinc/82/31/56/548823156.db2.gz QXKLWUOEQQIBRA-QGZVFWFLSA-N 1 3 359.514 2.392 20 0 FEADHO C[C@@H](CC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)C1CC[NH2+]CC1 ZINC000237603473 548837346 /nfs/dbraw/zinc/83/73/46/548837346.db2.gz HQGKSAHVHPQLJS-OKZBNKHCSA-N 1 3 365.562 2.360 20 0 FEADHO O=C(CC1CC[NH2+]CC1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000238136258 548879482 /nfs/dbraw/zinc/87/94/82/548879482.db2.gz RQVSNCFUFNIIPP-UHFFFAOYSA-N 1 3 358.530 2.095 20 0 FEADHO C[C@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)N1[C@H](C)CC[C@H]1C ZINC000245202640 548901022 /nfs/dbraw/zinc/90/10/22/548901022.db2.gz UZLKYEIOHJGJSI-RBSFLKMASA-N 1 3 374.485 2.356 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)[C@H](C)C1 ZINC000245589321 548952441 /nfs/dbraw/zinc/95/24/41/548952441.db2.gz AVQBKJTWJNPISG-YRXWBPOGSA-N 1 3 366.550 2.002 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)[C@H](C)C1 ZINC000245589321 548952443 /nfs/dbraw/zinc/95/24/43/548952443.db2.gz AVQBKJTWJNPISG-YRXWBPOGSA-N 1 3 366.550 2.002 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000246060839 549043781 /nfs/dbraw/zinc/04/37/81/549043781.db2.gz ADCLVBQXUWXCAN-LEWJYISDSA-N 1 3 370.541 2.431 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000246060839 549043783 /nfs/dbraw/zinc/04/37/83/549043783.db2.gz ADCLVBQXUWXCAN-LEWJYISDSA-N 1 3 370.541 2.431 20 0 FEADHO CN(c1ccccc1C[NH2+][C@H]1CCC[C@@H](C(N)=O)C1)C1CCN(C)CC1 ZINC000246489410 549143750 /nfs/dbraw/zinc/14/37/50/549143750.db2.gz NOMJSOULVSACCN-AEFFLSMTSA-N 1 3 358.530 2.351 20 0 FEADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000246668393 549185340 /nfs/dbraw/zinc/18/53/40/549185340.db2.gz FEVKJOFUIINPRB-NHCUHLMSSA-N 1 3 371.573 2.400 20 0 FEADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000246668393 549185344 /nfs/dbraw/zinc/18/53/44/549185344.db2.gz FEVKJOFUIINPRB-NHCUHLMSSA-N 1 3 371.573 2.400 20 0 FEADHO CC(C)COC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246747149 549203391 /nfs/dbraw/zinc/20/33/91/549203391.db2.gz XCWULCXXPZCULX-WSTZPKSXSA-N 1 3 356.551 2.231 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000246821206 549220973 /nfs/dbraw/zinc/22/09/73/549220973.db2.gz FZPWWXFWBSCELZ-ZMMAXQRCSA-N 1 3 353.551 2.262 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000246947752 549249175 /nfs/dbraw/zinc/24/91/75/549249175.db2.gz ULDZUFQMVYWCIT-APWZRJJASA-N 1 3 359.518 2.391 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000246947752 549249180 /nfs/dbraw/zinc/24/91/80/549249180.db2.gz ULDZUFQMVYWCIT-APWZRJJASA-N 1 3 359.518 2.391 20 0 FEADHO CN(C)C1(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)Cc2ccccc2C1 ZINC000489625336 561415780 /nfs/dbraw/zinc/41/57/80/561415780.db2.gz ZDCUNOUIWNPYTC-RTBURBONSA-N 1 3 358.530 2.258 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)cc1)[C@@H]1CCCN(C)C1 ZINC000261695264 549744442 /nfs/dbraw/zinc/74/44/42/549744442.db2.gz CFHFVZFOJTZYAX-QFBILLFUSA-N 1 3 372.513 2.181 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](N)C1CCOCC1 ZINC000261925009 549770655 /nfs/dbraw/zinc/77/06/55/549770655.db2.gz ZDKIBICZEMWYTQ-UZLBHIALSA-N 1 3 359.514 2.431 20 0 FEADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](N)C1CCOCC1 ZINC000261925009 549770657 /nfs/dbraw/zinc/77/06/57/549770657.db2.gz ZDKIBICZEMWYTQ-UZLBHIALSA-N 1 3 359.514 2.431 20 0 FEADHO C[C@@H]1CCC[C@](CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)([NH+](C)C)C1 ZINC000262286405 549806221 /nfs/dbraw/zinc/80/62/21/549806221.db2.gz VJOAEAAEOMYTJT-VQEGESQYSA-N 1 3 351.535 2.146 20 0 FEADHO CCN1CCN(CCC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000263021805 549871597 /nfs/dbraw/zinc/87/15/97/549871597.db2.gz SRAKPCYSTPNCOX-UHFFFAOYSA-N 1 3 358.408 2.130 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000268865755 550125300 /nfs/dbraw/zinc/12/53/00/550125300.db2.gz WLNZXWXIIPCBBD-QFBILLFUSA-N 1 3 373.497 2.009 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NCCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000268865755 550125303 /nfs/dbraw/zinc/12/53/03/550125303.db2.gz WLNZXWXIIPCBBD-QFBILLFUSA-N 1 3 373.497 2.009 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000269266335 550174341 /nfs/dbraw/zinc/17/43/41/550174341.db2.gz PHHQMRWUKQAJDO-ZDWTUXFCSA-N 1 3 359.514 2.028 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000269266335 550174343 /nfs/dbraw/zinc/17/43/43/550174343.db2.gz PHHQMRWUKQAJDO-ZDWTUXFCSA-N 1 3 359.514 2.028 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000269280156 550175906 /nfs/dbraw/zinc/17/59/06/550175906.db2.gz FBWXFVCPBYMWJP-NHCUHLMSSA-N 1 3 372.557 2.218 20 0 FEADHO C[C@@]1(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC000269404324 550191224 /nfs/dbraw/zinc/19/12/24/550191224.db2.gz FZCQNIZMSSGACE-HXUWFJFHSA-N 1 3 363.477 2.175 20 0 FEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc2nccn2c1C ZINC000270732536 550301392 /nfs/dbraw/zinc/30/13/92/550301392.db2.gz UVZWAHJIZXLYRG-OAHLLOKOSA-N 1 3 363.531 2.192 20 0 FEADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000271042288 550334808 /nfs/dbraw/zinc/33/48/08/550334808.db2.gz RFRAQUUYOUSYKK-HXUWFJFHSA-N 1 3 373.541 2.305 20 0 FEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000271042288 550334810 /nfs/dbraw/zinc/33/48/10/550334810.db2.gz RFRAQUUYOUSYKK-HXUWFJFHSA-N 1 3 373.541 2.305 20 0 FEADHO CN1CC=C(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000271773817 550401172 /nfs/dbraw/zinc/40/11/72/550401172.db2.gz ALXHIKRJJZSJFM-UHFFFAOYSA-N 1 3 356.514 2.460 20 0 FEADHO NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000272385868 550443188 /nfs/dbraw/zinc/44/31/88/550443188.db2.gz GCBVSHYLHBMFMY-MXEMCNAFSA-N 1 3 370.541 2.111 20 0 FEADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000274463718 550538999 /nfs/dbraw/zinc/53/89/99/550538999.db2.gz KHXULACKYQVICS-IBGZPJMESA-N 1 3 372.557 2.428 20 0 FEADHO CN(C)C1(CNC(=O)NCC2CC[NH+](C3CC3)CC2)Cc2ccccc2C1 ZINC000278289652 550769456 /nfs/dbraw/zinc/76/94/56/550769456.db2.gz ZTAIIUVLURNUID-UHFFFAOYSA-N 1 3 370.541 2.259 20 0 FEADHO COC[C@H](C)OC[C@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000278434718 550785817 /nfs/dbraw/zinc/78/58/17/550785817.db2.gz VHKGKRJGABHCNR-FXAWDEMLSA-N 1 3 365.518 2.032 20 0 FEADHO COC[C@H](C)OC[C@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000278434718 550785818 /nfs/dbraw/zinc/78/58/18/550785818.db2.gz VHKGKRJGABHCNR-FXAWDEMLSA-N 1 3 365.518 2.032 20 0 FEADHO CCN1CCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000278563083 550799357 /nfs/dbraw/zinc/79/93/57/550799357.db2.gz HYNAPIAGKYZBNU-SFHVURJKSA-N 1 3 369.513 2.326 20 0 FEADHO C[C@@H](CN1CCOCC1)N(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000279164893 550860533 /nfs/dbraw/zinc/86/05/33/550860533.db2.gz BBQCJSKIIUVKEB-IBGZPJMESA-N 1 3 374.573 2.370 20 0 FEADHO COc1ncc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000284279027 551513492 /nfs/dbraw/zinc/51/34/92/551513492.db2.gz MYAYJNNOTXFULC-UHFFFAOYSA-N 1 3 366.893 2.032 20 0 FEADHO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000285510592 551767925 /nfs/dbraw/zinc/76/79/25/551767925.db2.gz SJLJHBUGZCGYQQ-INIZCTEOSA-N 1 3 362.518 2.299 20 0 FEADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000286169945 551856836 /nfs/dbraw/zinc/85/68/36/551856836.db2.gz QIORVNIEIBUJOG-QGZVFWFLSA-N 1 3 355.486 2.023 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)N3CCC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000287683769 552034146 /nfs/dbraw/zinc/03/41/46/552034146.db2.gz FBMZXGBLWXILPN-SFHVURJKSA-N 1 3 374.529 2.395 20 0 FEADHO O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1CCC[NH+]1CCCCC1 ZINC000288720201 552200048 /nfs/dbraw/zinc/20/00/48/552200048.db2.gz VUVPDTZOBWGWDV-NRFANRHFSA-N 1 3 370.497 2.059 20 0 FEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(Br)cn1 ZINC000289833221 552385961 /nfs/dbraw/zinc/38/59/61/552385961.db2.gz OXVAALRVICOLRB-UHFFFAOYSA-N 1 3 355.324 2.302 20 0 FEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000289863225 552390990 /nfs/dbraw/zinc/39/09/90/552390990.db2.gz CWXCYEWLLLITGG-UXHICEINSA-N 1 3 358.530 2.093 20 0 FEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000290117126 552430085 /nfs/dbraw/zinc/43/00/85/552430085.db2.gz YTCKJLHBBQUQHQ-UIFIKXQLSA-N 1 3 373.541 2.279 20 0 FEADHO CC(C)[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)N1CCCCC1 ZINC000501145964 561591342 /nfs/dbraw/zinc/59/13/42/561591342.db2.gz ZOWFBYGYCVTKGZ-VQTJNVASSA-N 1 3 364.578 2.125 20 0 FEADHO CC(C)[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)N1CCCCC1 ZINC000501145964 561591343 /nfs/dbraw/zinc/59/13/43/561591343.db2.gz ZOWFBYGYCVTKGZ-VQTJNVASSA-N 1 3 364.578 2.125 20 0 FEADHO O=C(CC[C@H]1CCC[NH2+]1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000292011094 552684183 /nfs/dbraw/zinc/68/41/83/552684183.db2.gz DFQHJEFOBPWXEI-UXHICEINSA-N 1 3 359.514 2.080 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292362809 552719648 /nfs/dbraw/zinc/71/96/48/552719648.db2.gz QMPDLRNKOWFYSD-YFVAEKQCSA-N 1 3 356.514 2.244 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292362809 552719649 /nfs/dbraw/zinc/71/96/49/552719649.db2.gz QMPDLRNKOWFYSD-YFVAEKQCSA-N 1 3 356.514 2.244 20 0 FEADHO CCN1CC[C@H]2OCCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC000293877048 552864499 /nfs/dbraw/zinc/86/44/99/552864499.db2.gz KSDDVRLFHZASHL-LEWJYISDSA-N 1 3 371.525 2.220 20 0 FEADHO COCC[NH+]1CCC(NCc2ccc(I)cc2)CC1 ZINC000296287253 553135375 /nfs/dbraw/zinc/13/53/75/553135375.db2.gz FLHNZGSWOHZYKI-UHFFFAOYSA-N 1 3 374.266 2.492 20 0 FEADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCC(C)(C)N(C)C)cc2)C1 ZINC000298603830 553447524 /nfs/dbraw/zinc/44/75/24/553447524.db2.gz LCPWITHOPKPXQZ-INIZCTEOSA-N 1 3 374.529 2.313 20 0 FEADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCC(C)(C)N(C)C)cc2)C1 ZINC000298603830 553447525 /nfs/dbraw/zinc/44/75/25/553447525.db2.gz LCPWITHOPKPXQZ-INIZCTEOSA-N 1 3 374.529 2.313 20 0 FEADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCC(C)(C)N(C)C)cc2)C1 ZINC000298603832 553447751 /nfs/dbraw/zinc/44/77/51/553447751.db2.gz LCPWITHOPKPXQZ-MRXNPFEDSA-N 1 3 374.529 2.313 20 0 FEADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCC(C)(C)N(C)C)cc2)C1 ZINC000298603832 553447753 /nfs/dbraw/zinc/44/77/53/553447753.db2.gz LCPWITHOPKPXQZ-MRXNPFEDSA-N 1 3 374.529 2.313 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000298677662 553457677 /nfs/dbraw/zinc/45/76/77/553457677.db2.gz UWBSFTDBOPSYQC-RBUKOAKNSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000298677662 553457678 /nfs/dbraw/zinc/45/76/78/553457678.db2.gz UWBSFTDBOPSYQC-RBUKOAKNSA-N 1 3 360.502 2.053 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)CC(=O)NC)cc1OC ZINC000298685594 553458523 /nfs/dbraw/zinc/45/85/23/553458523.db2.gz ICCIZRABXDBADS-OAHLLOKOSA-N 1 3 351.491 2.030 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299450622 553565299 /nfs/dbraw/zinc/56/52/99/553565299.db2.gz UGXAFAGQAACYHO-ZWKOTPCHSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000299450622 553565300 /nfs/dbraw/zinc/56/53/00/553565300.db2.gz UGXAFAGQAACYHO-ZWKOTPCHSA-N 1 3 360.502 2.053 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000299710803 553605131 /nfs/dbraw/zinc/60/51/31/553605131.db2.gz IHTKJRXCDBWOKT-VQIMIIECSA-N 1 3 373.497 2.163 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000299710803 553605133 /nfs/dbraw/zinc/60/51/33/553605133.db2.gz IHTKJRXCDBWOKT-VQIMIIECSA-N 1 3 373.497 2.163 20 0 FEADHO Clc1ccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(-n2cncn2)c1 ZINC000333168338 554582650 /nfs/dbraw/zinc/58/26/50/554582650.db2.gz PFCHKFDNAOYARQ-AEFFLSMTSA-N 1 3 373.888 2.121 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)c(C)c2)CC1 ZINC000333167270 554582776 /nfs/dbraw/zinc/58/27/76/554582776.db2.gz PAARUXJAOTVHAZ-SJLPKXTDSA-N 1 3 359.518 2.338 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)c(C)c2)CC1 ZINC000333189126 554585823 /nfs/dbraw/zinc/58/58/23/554585823.db2.gz UMXWLYMXLLGMHZ-ROUUACIJSA-N 1 3 371.529 2.210 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCN1Cc1ccccc1 ZINC000333593957 554626482 /nfs/dbraw/zinc/62/64/82/554626482.db2.gz OTQSNSPKMBGRKK-QDGKJQRMSA-N 1 3 356.514 2.418 20 0 FEADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333817060 554646314 /nfs/dbraw/zinc/64/63/14/554646314.db2.gz QNOGNVMSBJDLEN-JFRXWTBNSA-N 1 3 366.550 2.035 20 0 FEADHO CCN1CCN(CCCCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000511029654 561854373 /nfs/dbraw/zinc/85/43/73/561854373.db2.gz PBCFZYMKBTVPLE-LJQANCHMSA-N 1 3 352.567 2.031 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)C1 ZINC000361703046 554930427 /nfs/dbraw/zinc/93/04/27/554930427.db2.gz YZBHQFPYSKXOJW-RDGPPVDQSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)C1 ZINC000361703046 554930429 /nfs/dbraw/zinc/93/04/29/554930429.db2.gz YZBHQFPYSKXOJW-RDGPPVDQSA-N 1 3 350.551 2.480 20 0 FEADHO CC1(O)C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000363314211 555076786 /nfs/dbraw/zinc/07/67/86/555076786.db2.gz KVZFUDQZVVWNEZ-RLAPIPATSA-N 1 3 371.525 2.276 20 0 FEADHO CN1CC[C@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@H]1c1cccs1 ZINC000364327623 555291878 /nfs/dbraw/zinc/29/18/78/555291878.db2.gz PGJMJKASXJMHTD-INMHGKMJSA-N 1 3 350.532 2.477 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@H]2CCO[C@@H]2C2CC2)CC1 ZINC000364782863 555401717 /nfs/dbraw/zinc/40/17/17/555401717.db2.gz JARJVZBOZRHEAC-RBBKRZOGSA-N 1 3 371.525 2.186 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)cc1 ZINC000364981452 555456480 /nfs/dbraw/zinc/45/64/80/555456480.db2.gz JZAWNSXDDOMDFP-MJGOQNOKSA-N 1 3 372.513 2.020 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@@H+]1CCC[C@H](C)C1 ZINC000365872691 555689316 /nfs/dbraw/zinc/68/93/16/555689316.db2.gz ATNZPMRPHUZQBZ-BZSNNMDCSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@H+]1CCC[C@H](C)C1 ZINC000365872691 555689317 /nfs/dbraw/zinc/68/93/17/555689317.db2.gz ATNZPMRPHUZQBZ-BZSNNMDCSA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)c1ncc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000366725900 555918639 /nfs/dbraw/zinc/91/86/39/555918639.db2.gz INBCGGINPVFILM-UHFFFAOYSA-N 1 3 360.506 2.280 20 0 FEADHO CN1CCC2(CCCN2C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000367467895 556058577 /nfs/dbraw/zinc/05/85/77/556058577.db2.gz YKCMTHBCHYTPNS-UHFFFAOYSA-N 1 3 374.529 2.397 20 0 FEADHO Cc1cc(NCC[NH2+]C2CCN(CC3CCCCC3)CC2)n2ncnc2n1 ZINC000367567240 556085051 /nfs/dbraw/zinc/08/50/51/556085051.db2.gz XVHJUYITJDPQBN-UHFFFAOYSA-N 1 3 371.533 2.479 20 0 FEADHO C[C@H](C(=O)N(C)C1CCCCC1)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367619316 556098237 /nfs/dbraw/zinc/09/82/37/556098237.db2.gz SYHFVMCPHXISDG-YLJYHZDGSA-N 1 3 364.578 2.266 20 0 FEADHO CCOC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000514931919 561987380 /nfs/dbraw/zinc/98/73/80/561987380.db2.gz CGPUCOIYVKFZAW-RCCFBDPRSA-N 1 3 364.486 2.065 20 0 FEADHO C[C@H]1C[C@H](CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000368615173 556363746 /nfs/dbraw/zinc/36/37/46/556363746.db2.gz RWCSHPHBUNCNNN-DLBZAZTESA-N 1 3 366.550 2.049 20 0 FEADHO CN1CC[C@@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)[C@H]1c1ccccc1 ZINC000515811126 562022463 /nfs/dbraw/zinc/02/24/63/562022463.db2.gz SXAQNEXAQAZPHA-DOIPELPJSA-N 1 3 364.493 2.487 20 0 FEADHO COCC1(C(=O)N2CCc3c2cccc3CN2CCCC2)CC[NH2+]CC1 ZINC000369142417 556515799 /nfs/dbraw/zinc/51/57/99/556515799.db2.gz IYFWQTGXCSBFMO-UHFFFAOYSA-N 1 3 357.498 2.188 20 0 FEADHO CCN(CC)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000369278344 556561990 /nfs/dbraw/zinc/56/19/90/556561990.db2.gz QSUZRTWUVGEKJC-TZIWHRDSSA-N 1 3 372.557 2.354 20 0 FEADHO CCN(CC)[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000369278344 556561993 /nfs/dbraw/zinc/56/19/93/556561993.db2.gz QSUZRTWUVGEKJC-TZIWHRDSSA-N 1 3 372.557 2.354 20 0 FEADHO CCN(CC)[C@@H](C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369278344 556561996 /nfs/dbraw/zinc/56/19/96/556561996.db2.gz QSUZRTWUVGEKJC-TZIWHRDSSA-N 1 3 372.557 2.354 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C)c(C(N)=O)c3)CC2)CC1 ZINC000516192147 562035114 /nfs/dbraw/zinc/03/51/14/562035114.db2.gz TWIGMBSEIWSINW-UHFFFAOYSA-N 1 3 372.513 2.229 20 0 FEADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369746721 556683774 /nfs/dbraw/zinc/68/37/74/556683774.db2.gz VUQHQCADEQFDFA-PMACEKPBSA-N 1 3 373.545 2.419 20 0 FEADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000370173801 556802656 /nfs/dbraw/zinc/80/26/56/556802656.db2.gz GCGACPMQBBOBSX-SQNIBIBYSA-N 1 3 368.566 2.248 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000370369395 556852509 /nfs/dbraw/zinc/85/25/09/556852509.db2.gz FIIOUWOQQINXOR-GOSISDBHSA-N 1 3 361.534 2.077 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000370369395 556852513 /nfs/dbraw/zinc/85/25/13/556852513.db2.gz FIIOUWOQQINXOR-GOSISDBHSA-N 1 3 361.534 2.077 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cccc(N2CCOCC2)c1 ZINC000370632499 556926104 /nfs/dbraw/zinc/92/61/04/556926104.db2.gz BGLIEKHXNQCANP-AZUAARDMSA-N 1 3 372.557 2.342 20 0 FEADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cccc(N2CCOCC2)c1 ZINC000370632501 556926328 /nfs/dbraw/zinc/92/63/28/556926328.db2.gz BGLIEKHXNQCANP-QUCCMNQESA-N 1 3 372.557 2.342 20 0 FEADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)CN1CCN(C)CC1 ZINC000370643865 556929122 /nfs/dbraw/zinc/92/91/22/556929122.db2.gz MAIROPZDHXCQNT-RZUBCFFCSA-N 1 3 358.574 2.370 20 0 FEADHO CCc1cnccc1CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000516936597 562066130 /nfs/dbraw/zinc/06/61/30/562066130.db2.gz IODLGVOGYFDOEX-UHFFFAOYSA-N 1 3 358.530 2.457 20 0 FEADHO CSC1(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CCN(C)CC1 ZINC000516943501 562066345 /nfs/dbraw/zinc/06/63/45/562066345.db2.gz XQGLIVOSOAGQGB-INIZCTEOSA-N 1 3 356.580 2.091 20 0 FEADHO CSC1(CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CCN(C)CC1 ZINC000516943501 562066346 /nfs/dbraw/zinc/06/63/46/562066346.db2.gz XQGLIVOSOAGQGB-INIZCTEOSA-N 1 3 356.580 2.091 20 0 FEADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CNCCCO1 ZINC000516957945 562067292 /nfs/dbraw/zinc/06/72/92/562067292.db2.gz KJWVJDVAIOOPCV-DOMZBBRYSA-N 1 3 370.291 2.134 20 0 FEADHO C[C@@H]1CCC[C@H](NC(=O)CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1C ZINC000371259653 557122385 /nfs/dbraw/zinc/12/23/85/557122385.db2.gz JBBSYWNCALOSPR-LFGUQSLTSA-N 1 3 364.578 2.028 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000371313195 557142496 /nfs/dbraw/zinc/14/24/96/557142496.db2.gz JWRJHCKKIVUOLZ-MDZRGWNJSA-N 1 3 360.546 2.375 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371313195 557142498 /nfs/dbraw/zinc/14/24/98/557142498.db2.gz JWRJHCKKIVUOLZ-MDZRGWNJSA-N 1 3 360.546 2.375 20 0 FEADHO C[C@H](N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000517942389 562101201 /nfs/dbraw/zinc/10/12/01/562101201.db2.gz ILCHQVZSPHWTOC-TWFHAPMSSA-N 1 3 372.557 2.132 20 0 FEADHO C(CN1CCOCC2(CCC2)C1)OCC[N@@H+]1CCOCC2(CCC2)C1 ZINC000371894628 557322839 /nfs/dbraw/zinc/32/28/39/557322839.db2.gz SAXMBCCYHSLSGZ-UHFFFAOYSA-N 1 3 352.519 2.008 20 0 FEADHO C(CN1CCOCC2(CCC2)C1)OCC[N@H+]1CCOCC2(CCC2)C1 ZINC000371894628 557322841 /nfs/dbraw/zinc/32/28/41/557322841.db2.gz SAXMBCCYHSLSGZ-UHFFFAOYSA-N 1 3 352.519 2.008 20 0 FEADHO COCCN(C)CCCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000518403895 562110845 /nfs/dbraw/zinc/11/08/45/562110845.db2.gz WWHIZAHTSQMQRY-IAGOWNOFSA-N 1 3 356.555 2.010 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000372073876 557372725 /nfs/dbraw/zinc/37/27/25/557372725.db2.gz PUJMXSDUTAWUCO-GTAWCEEGSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000372073876 557372727 /nfs/dbraw/zinc/37/27/27/557372727.db2.gz PUJMXSDUTAWUCO-GTAWCEEGSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@H](C(=O)N1CCc2ccccc21)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372364964 557450540 /nfs/dbraw/zinc/45/05/40/557450540.db2.gz ICZGGJMSOFBLHP-XLIONFOSSA-N 1 3 370.541 2.065 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372369208 557452441 /nfs/dbraw/zinc/45/24/41/557452441.db2.gz LUJNVFWXOKUGFA-BWPNAZKDSA-N 1 3 364.578 2.170 20 0 FEADHO CN(CC[N@@H+]1CCC[C@H](CN2CCN(C)CC2)C1)Cc1ccc(F)cc1 ZINC000372800789 557565147 /nfs/dbraw/zinc/56/51/47/557565147.db2.gz JMQTUOJCNNCHNV-FQEVSTJZSA-N 1 3 362.537 2.217 20 0 FEADHO CN(CC[N@H+]1CCC[C@H](CN2CCN(C)CC2)C1)Cc1ccc(F)cc1 ZINC000372800789 557565148 /nfs/dbraw/zinc/56/51/48/557565148.db2.gz JMQTUOJCNNCHNV-FQEVSTJZSA-N 1 3 362.537 2.217 20 0 FEADHO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000372812351 557567217 /nfs/dbraw/zinc/56/72/17/557567217.db2.gz BJWGXRARZNKCDQ-RTBURBONSA-N 1 3 367.497 2.202 20 0 FEADHO [NH3+]C[C@@H](NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2)C1CC1 ZINC000519814594 562145014 /nfs/dbraw/zinc/14/50/14/562145014.db2.gz RIRTZWGACOJARG-TZIWHRDSSA-N 1 3 356.514 2.421 20 0 FEADHO [NH3+]C[C@H](NC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2)C1CC1 ZINC000519814590 562145026 /nfs/dbraw/zinc/14/50/26/562145026.db2.gz RIRTZWGACOJARG-PZJWPPBQSA-N 1 3 356.514 2.421 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCSC[C@H](C)C3)CC2)CC1 ZINC000519831074 562145801 /nfs/dbraw/zinc/14/58/01/562145801.db2.gz BMEUEYDRLRZHGC-MRXNPFEDSA-N 1 3 353.576 2.394 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000520754232 562162931 /nfs/dbraw/zinc/16/29/31/562162931.db2.gz LQNVFNWUNJWVMH-UHFFFAOYSA-N 1 3 366.550 2.049 20 0 FEADHO CCN(CCNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)C1CC1 ZINC000520790778 562163869 /nfs/dbraw/zinc/16/38/69/562163869.db2.gz DJTBVCSXTCNQQK-UHFFFAOYSA-N 1 3 366.550 2.194 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000374556485 557899397 /nfs/dbraw/zinc/89/93/97/557899397.db2.gz MNVXIFYTUSWGCZ-JOCHJYFZSA-N 1 3 359.558 2.429 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000374556485 557899398 /nfs/dbraw/zinc/89/93/98/557899398.db2.gz MNVXIFYTUSWGCZ-JOCHJYFZSA-N 1 3 359.558 2.429 20 0 FEADHO C[C@H](NC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)C1=CC[N@H+](C)CC1 ZINC000374753433 557925516 /nfs/dbraw/zinc/92/55/16/557925516.db2.gz LGMZKPPRKCNNDM-HKUYNNGSSA-N 1 3 371.529 2.243 20 0 FEADHO C[C@H](NC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)C1=CC[N@@H+](C)CC1 ZINC000374753433 557925517 /nfs/dbraw/zinc/92/55/17/557925517.db2.gz LGMZKPPRKCNNDM-HKUYNNGSSA-N 1 3 371.529 2.243 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000375167074 557986611 /nfs/dbraw/zinc/98/66/11/557986611.db2.gz MDXLHTOLKUYQJT-MRXNPFEDSA-N 1 3 357.502 2.097 20 0 FEADHO [NH3+]CCC1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000521446430 562176681 /nfs/dbraw/zinc/17/66/81/562176681.db2.gz AEBJBIVDWRXUBJ-UHFFFAOYSA-N 1 3 358.530 2.464 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3nc4ccccc4[nH]3)CC2)CC1 ZINC000521639486 562181072 /nfs/dbraw/zinc/18/10/72/562181072.db2.gz GSCARRVMCIAJJX-UHFFFAOYSA-N 1 3 369.513 2.375 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCC[NH+]1CCCC1 ZINC000521679171 562181935 /nfs/dbraw/zinc/18/19/35/562181935.db2.gz QHCCFEIDAVRKPZ-UHFFFAOYSA-N 1 3 350.482 2.385 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000521826111 562184304 /nfs/dbraw/zinc/18/43/04/562184304.db2.gz JKYVOZYFTXBDJK-FQEVSTJZSA-N 1 3 358.530 2.383 20 0 FEADHO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000377112918 558269023 /nfs/dbraw/zinc/26/90/23/558269023.db2.gz HXBXZBJEBBTNJN-QAPCUYQASA-N 1 3 367.534 2.211 20 0 FEADHO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC2CC[NH+](C3CCCC3)CC2)C1 ZINC000377112918 558269025 /nfs/dbraw/zinc/26/90/25/558269025.db2.gz HXBXZBJEBBTNJN-QAPCUYQASA-N 1 3 367.534 2.211 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)Cc1ccccc1 ZINC000522305952 562196571 /nfs/dbraw/zinc/19/65/71/562196571.db2.gz OXVSMYGUUCJFDK-ICSRJNTNSA-N 1 3 358.530 2.475 20 0 FEADHO CCO[C@@H]1C[C@H](NCc2ccncc2OCC[NH+](C)C)C12CCOCC2 ZINC000377569712 558368029 /nfs/dbraw/zinc/36/80/29/558368029.db2.gz XAODVOOZKVOCGC-RBUKOAKNSA-N 1 3 363.502 2.086 20 0 FEADHO C[N@H+](CCN1C(=O)c2ccccc2C1=O)C1CCN(c2ccncc2)CC1 ZINC000377698586 558400379 /nfs/dbraw/zinc/40/03/79/558400379.db2.gz PVTYOKKGYWEKSC-UHFFFAOYSA-N 1 3 364.449 2.278 20 0 FEADHO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)C1CCN(c2ccncc2)CC1 ZINC000377698586 558400382 /nfs/dbraw/zinc/40/03/82/558400382.db2.gz PVTYOKKGYWEKSC-UHFFFAOYSA-N 1 3 364.449 2.278 20 0 FEADHO COCCCN1CCCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000377922434 558448564 /nfs/dbraw/zinc/44/85/64/558448564.db2.gz WLQVTJDJTZZBBZ-UHFFFAOYSA-N 1 3 356.555 2.249 20 0 FEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000378112661 558483869 /nfs/dbraw/zinc/48/38/69/558483869.db2.gz OGZYYGCUNZUFMA-CADBVGFASA-N 1 3 368.566 2.295 20 0 FEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000378112661 558483872 /nfs/dbraw/zinc/48/38/72/558483872.db2.gz OGZYYGCUNZUFMA-CADBVGFASA-N 1 3 368.566 2.295 20 0 FEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3(N)Cc4ccccc4C3)C2)CC1 ZINC000378213212 558503791 /nfs/dbraw/zinc/50/37/91/558503791.db2.gz YNIRVAVJOYEQMY-SFHVURJKSA-N 1 3 355.526 2.453 20 0 FEADHO CN(CC(=O)N(C1CC1)C1CCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378302477 558523896 /nfs/dbraw/zinc/52/38/96/558523896.db2.gz YKOUYDHDOFJFBU-FQEVSTJZSA-N 1 3 362.562 2.020 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000378447458 558559597 /nfs/dbraw/zinc/55/95/97/558559597.db2.gz APJLECHRIZQQRZ-FQEVSTJZSA-N 1 3 356.514 2.460 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378447458 558559599 /nfs/dbraw/zinc/55/95/99/558559599.db2.gz APJLECHRIZQQRZ-FQEVSTJZSA-N 1 3 356.514 2.460 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390753237 558611833 /nfs/dbraw/zinc/61/18/33/558611833.db2.gz UFAXKAABXZFSSS-PSHVLCQKSA-N 1 3 371.525 2.300 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390753237 558611837 /nfs/dbraw/zinc/61/18/37/558611837.db2.gz UFAXKAABXZFSSS-PSHVLCQKSA-N 1 3 371.525 2.300 20 0 FEADHO C[C@H](CC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000391031024 558613232 /nfs/dbraw/zinc/61/32/32/558613232.db2.gz WCCXIPHNUZYVER-NRSPTQNISA-N 1 3 373.541 2.420 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@H](CC(C)C)N(C)C)ccc1C[NH+](C)C ZINC000411144050 558844390 /nfs/dbraw/zinc/84/43/90/558844390.db2.gz RSPHTHOQXOIDAV-SFHVURJKSA-N 1 3 362.518 2.088 20 0 FEADHO CC(C)c1nccn1CCC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000525315311 562245925 /nfs/dbraw/zinc/24/59/25/562245925.db2.gz WKURZAXVMPVPIH-UHFFFAOYSA-N 1 3 356.474 2.182 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1coc(-c2cccs2)n1 ZINC000525452638 562248435 /nfs/dbraw/zinc/24/84/35/562248435.db2.gz MWPOBLZFMDTXQJ-UHFFFAOYSA-N 1 3 365.503 2.038 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)ccc1CN(C)C ZINC000411460095 558898800 /nfs/dbraw/zinc/89/88/00/558898800.db2.gz QUGWHYJVICSHPL-UHFFFAOYSA-N 1 3 374.529 2.233 20 0 FEADHO CC(C)N(C)c1ccccc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000526110886 562267207 /nfs/dbraw/zinc/26/72/07/562267207.db2.gz TVLZMQHOCDIZOY-UHFFFAOYSA-N 1 3 363.550 2.166 20 0 FEADHO C[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCN(C2CC2)C1 ZINC000412367133 559031226 /nfs/dbraw/zinc/03/12/26/559031226.db2.gz MDIOOZKNXJRFPJ-MAUKXSAKSA-N 1 3 351.560 2.147 20 0 FEADHO C[C@@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)CC(F)(F)F ZINC000413208533 559088662 /nfs/dbraw/zinc/08/86/62/559088662.db2.gz SDRDWXAFEDDUQW-CYBMUJFWSA-N 1 3 364.456 2.433 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C1(OC)CCC1 ZINC000413824619 559132871 /nfs/dbraw/zinc/13/28/71/559132871.db2.gz WSRIFDQXBGTLHE-IAGOWNOFSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C1(OC)CCC1 ZINC000413824619 559132872 /nfs/dbraw/zinc/13/28/72/559132872.db2.gz WSRIFDQXBGTLHE-IAGOWNOFSA-N 1 3 354.539 2.002 20 0 FEADHO CN1CCC(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)(N2CCOCC2)CC1 ZINC000414201001 559152658 /nfs/dbraw/zinc/15/26/58/559152658.db2.gz SFXOJTWISLNLTJ-HOTGVXAUSA-N 1 3 363.468 2.494 20 0 FEADHO COc1ccccc1/C=C/C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414488510 559168017 /nfs/dbraw/zinc/16/80/17/559168017.db2.gz UKRIHDXHEGVEGP-FNORWQNLSA-N 1 3 359.514 2.095 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414696081 559180618 /nfs/dbraw/zinc/18/06/18/559180618.db2.gz VGFAWFZGRWQAAQ-MRXNPFEDSA-N 1 3 372.513 2.042 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414696081 559180619 /nfs/dbraw/zinc/18/06/19/559180619.db2.gz VGFAWFZGRWQAAQ-MRXNPFEDSA-N 1 3 372.513 2.042 20 0 FEADHO Cc1ccc(CC[N@H+](C[C@H]2CCCO2)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414706758 559181062 /nfs/dbraw/zinc/18/10/62/559181062.db2.gz MUYBQTFOSSYIPU-LEWJYISDSA-N 1 3 373.541 2.216 20 0 FEADHO Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414706758 559181063 /nfs/dbraw/zinc/18/10/63/559181063.db2.gz MUYBQTFOSSYIPU-LEWJYISDSA-N 1 3 373.541 2.216 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)NCCC[NH2+]C3CC3)c(C)c2)CC1 ZINC000414728366 559182751 /nfs/dbraw/zinc/18/27/51/559182751.db2.gz BLCIJFBPAQQCSU-UHFFFAOYSA-N 1 3 359.518 2.401 20 0 FEADHO COCC1(CNCc2cc3c(cc2OC(F)F)OCO3)CC[NH2+]CC1 ZINC000414969075 559198044 /nfs/dbraw/zinc/19/80/44/559198044.db2.gz GLUFTWWGRBGHKT-UHFFFAOYSA-N 1 3 358.385 2.123 20 0 FEADHO FC(F)Oc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414972472 559198201 /nfs/dbraw/zinc/19/82/01/559198201.db2.gz JIMCTBHKGZHSPP-ZDUSSCGKSA-N 1 3 353.335 2.214 20 0 FEADHO COc1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc(OC)c1OC ZINC000415119501 559206107 /nfs/dbraw/zinc/20/61/07/559206107.db2.gz FOJUYHRHPNWJLG-IAGOWNOFSA-N 1 3 364.486 2.431 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)C1 ZINC000415130455 559206927 /nfs/dbraw/zinc/20/69/27/559206927.db2.gz WUOYCHKPUSCWQF-GHTZIAJQSA-N 1 3 373.541 2.457 20 0 FEADHO O=C1N[C@H]2CN(C[C@@H]3C[C@H]3c3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415136889 559207449 /nfs/dbraw/zinc/20/74/49/559207449.db2.gz ICIPNTFHIFFJBF-FRYIKTPZSA-N 1 3 354.498 2.010 20 0 FEADHO C[C@H](CN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000415144023 559208622 /nfs/dbraw/zinc/20/86/22/559208622.db2.gz UMEQLKRALSXNFF-MDASCCDHSA-N 1 3 360.477 2.149 20 0 FEADHO C[C@H](CCN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000415146987 559208983 /nfs/dbraw/zinc/20/89/83/559208983.db2.gz ZYHYTNUHCIWOIM-UXPWSPDFSA-N 1 3 356.514 2.400 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(CC)CCN2CCCCCC2)c1 ZINC000415215345 559215580 /nfs/dbraw/zinc/21/55/80/559215580.db2.gz HKWZMVFUELIAJK-UHFFFAOYSA-N 1 3 374.529 2.459 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)ccc1CN(C)C ZINC000415314776 559223369 /nfs/dbraw/zinc/22/33/69/559223369.db2.gz KCVCAWDQRLBMCQ-UHFFFAOYSA-N 1 3 360.502 2.163 20 0 FEADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CC1 ZINC000415377730 559228978 /nfs/dbraw/zinc/22/89/78/559228978.db2.gz BKIWOQUCEHHTFK-MRXNPFEDSA-N 1 3 372.513 2.197 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2ccccc2CCN(C)C)cc1 ZINC000415462559 559239667 /nfs/dbraw/zinc/23/96/67/559239667.db2.gz HFYWESWSUPPTEQ-CQSZACIVSA-N 1 3 354.454 2.388 20 0 FEADHO CCCC[C@@H](CN)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415499004 559243753 /nfs/dbraw/zinc/24/37/53/559243753.db2.gz KLZXDYURHCVNPT-IBGZPJMESA-N 1 3 374.529 2.287 20 0 FEADHO [NH3+]CCOc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000415951196 559284331 /nfs/dbraw/zinc/28/43/31/559284331.db2.gz CDFIKGLZGTXYHR-GOSISDBHSA-N 1 3 354.454 2.420 20 0 FEADHO O=C(Nc1ccc2c(c1)CNC2)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000415996127 559287929 /nfs/dbraw/zinc/28/79/29/559287929.db2.gz MHLRSTCZWCTAPN-RTBURBONSA-N 1 3 358.486 2.179 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000416169745 559296085 /nfs/dbraw/zinc/29/60/85/559296085.db2.gz GUKQBECBUJINJG-NRFANRHFSA-N 1 3 373.541 2.394 20 0 FEADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000416790126 559332846 /nfs/dbraw/zinc/33/28/46/559332846.db2.gz FSBGBEUTQMZKQZ-UHFFFAOYSA-N 1 3 356.514 2.436 20 0 FEADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)N(C)C)cc1 ZINC000416834977 559334497 /nfs/dbraw/zinc/33/44/97/559334497.db2.gz FBMYOJNJWSUTNJ-ZCNNSNEGSA-N 1 3 358.530 2.493 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)N1C[C@H](C)NC[C@@H]1C)c1cccc(OC)c1 ZINC000416922494 559338557 /nfs/dbraw/zinc/33/85/57/559338557.db2.gz MRLJSNXBFMPALK-TXPKVOOTSA-N 1 3 362.518 2.470 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000416970000 559340979 /nfs/dbraw/zinc/34/09/79/559340979.db2.gz CYZGZLUAXAENCX-AZUAARDMSA-N 1 3 356.514 2.353 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)NC[C@@]1(COC)CCC[NH2+]1)c1ccsc1 ZINC000416998642 559343080 /nfs/dbraw/zinc/34/30/80/559343080.db2.gz BFVYYHBTRFQOPW-FUHWJXTLSA-N 1 3 368.547 2.199 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+])c1ccsc1 ZINC000417008264 559343460 /nfs/dbraw/zinc/34/34/60/559343460.db2.gz LYPJCUXCIBDICN-IXDOHACOSA-N 1 3 368.547 2.279 20 0 FEADHO CC(C)(CNC(=O)N[C@H](CC[NH3+])C(F)F)N1CCc2ccccc2C1 ZINC000417089768 559347161 /nfs/dbraw/zinc/34/71/61/559347161.db2.gz ROEXFOJVTMCQME-OAHLLOKOSA-N 1 3 354.445 2.105 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3CCC(C[NH3+])CC3)CC2)cc1 ZINC000417334224 559358077 /nfs/dbraw/zinc/35/80/77/559358077.db2.gz QZJCKEFDYYAGRU-UHFFFAOYSA-N 1 3 374.529 2.288 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000417338931 559358391 /nfs/dbraw/zinc/35/83/91/559358391.db2.gz ZPRYCZDZTBJBDX-VQIMIIECSA-N 1 3 374.529 2.286 20 0 FEADHO O=C(NCCC[NH2+]C1CC1)NCC1CCN(Cc2cccs2)CC1 ZINC000417377582 559359932 /nfs/dbraw/zinc/35/99/32/559359932.db2.gz GBSBEVZOLBHENZ-UHFFFAOYSA-N 1 3 350.532 2.401 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417380880 559360147 /nfs/dbraw/zinc/36/01/47/559360147.db2.gz LLYIAOPXKNQFJV-QGZVFWFLSA-N 1 3 362.543 2.496 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417383544 559360237 /nfs/dbraw/zinc/36/02/37/559360237.db2.gz PDJPCFUVBXPFFG-LJQANCHMSA-N 1 3 362.543 2.355 20 0 FEADHO COCCCN1CCC(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000417443275 559362450 /nfs/dbraw/zinc/36/24/50/559362450.db2.gz XVJFLGRZDCSRQA-IEBWSBKVSA-N 1 3 366.550 2.051 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)NC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000417515226 559365492 /nfs/dbraw/zinc/36/54/92/559365492.db2.gz KVDPFGHFJUWRQM-GOSISDBHSA-N 1 3 362.518 2.137 20 0 FEADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417596997 559368780 /nfs/dbraw/zinc/36/87/80/559368780.db2.gz RSPVDSGKKSXPOS-WMZOPIPTSA-N 1 3 360.502 2.040 20 0 FEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000417688289 559372414 /nfs/dbraw/zinc/37/24/14/559372414.db2.gz IUOMRLVCTXBOOJ-NEWSRXKRSA-N 1 3 356.514 2.463 20 0 FEADHO O=C(NC[C@H]1NCCc2ccccc21)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417795223 559376834 /nfs/dbraw/zinc/37/68/34/559376834.db2.gz OBFUMQCCKSHYDT-UYAOXDASSA-N 1 3 356.514 2.437 20 0 FEADHO O=C(NC[C@H]1NCCc2ccccc21)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000417795223 559376835 /nfs/dbraw/zinc/37/68/35/559376835.db2.gz OBFUMQCCKSHYDT-UYAOXDASSA-N 1 3 356.514 2.437 20 0 FEADHO CO[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)[C@@H](C[NH3+])C1 ZINC000417826488 559377967 /nfs/dbraw/zinc/37/79/67/559377967.db2.gz OPHYYGBIXGWECC-MTFMMBMASA-N 1 3 374.529 2.045 20 0 FEADHO N[C@H](CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000417966041 559384367 /nfs/dbraw/zinc/38/43/67/559384367.db2.gz ISYDLQCBBJHMLZ-LJQANCHMSA-N 1 3 353.470 2.297 20 0 FEADHO [NH3+]CCN(Cc1ccccc1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000417976432 559384649 /nfs/dbraw/zinc/38/46/49/559384649.db2.gz YOGLVLJLMWGLIN-UHFFFAOYSA-N 1 3 367.497 2.469 20 0 FEADHO C[C@@H]1NCCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1C ZINC000417999335 559385983 /nfs/dbraw/zinc/38/59/83/559385983.db2.gz VOKHYXBPNRFZGY-ROUUACIJSA-N 1 3 374.529 2.096 20 0 FEADHO C[C@@]1(CNC(=O)N[C@@H](CC[NH3+])C(F)F)CCCN1Cc1ccccc1 ZINC000418035265 559387385 /nfs/dbraw/zinc/38/73/85/559387385.db2.gz AEIDGAGIIWRXEJ-YJBOKZPZSA-N 1 3 354.445 2.323 20 0 FEADHO C[C@]1(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CCCN1Cc1ccccc1 ZINC000418044442 559387732 /nfs/dbraw/zinc/38/77/32/559387732.db2.gz MQPPYWNIRARMGQ-IRFCIJBXSA-N 1 3 356.514 2.292 20 0 FEADHO C[C@]1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000418042149 559387755 /nfs/dbraw/zinc/38/77/55/559387755.db2.gz LGZKDIVWLHOCFD-SFHLNBCPSA-N 1 3 356.514 2.292 20 0 FEADHO CC[C@@H](C)N[C@H](CNC(=O)NCC1(COC)CC[NH2+]CC1)c1ccco1 ZINC000418165791 559392566 /nfs/dbraw/zinc/39/25/66/559392566.db2.gz JWKSYSUMARFCSI-HZPDHXFCSA-N 1 3 366.506 2.024 20 0 FEADHO C[C@@H]1CN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC[C@H]1[NH3+] ZINC000418165279 559392615 /nfs/dbraw/zinc/39/26/15/559392615.db2.gz IHARCCZRLUDOKF-DNVCBOLYSA-N 1 3 360.502 2.038 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)NCCC[NH2+]C3CC3)cc2)CC1 ZINC000418167935 559392782 /nfs/dbraw/zinc/39/27/82/559392782.db2.gz LJKZORLBJZLTQT-UHFFFAOYSA-N 1 3 360.502 2.101 20 0 FEADHO COC[C@]1(CNC(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)CCC[NH2+]1 ZINC000418177914 559393029 /nfs/dbraw/zinc/39/30/29/559393029.db2.gz IAKCFYAOEMGGHP-YVWKXTFCSA-N 1 3 362.518 2.054 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418193540 559393588 /nfs/dbraw/zinc/39/35/88/559393588.db2.gz CYGNHXPNLAABGH-QFBILLFUSA-N 1 3 362.518 2.375 20 0 FEADHO CSC1(CNC(=O)N(CC[NH3+])CCc2ccccc2)CCN(C)CC1 ZINC000418194022 559393688 /nfs/dbraw/zinc/39/36/88/559393688.db2.gz DHAUGEINTFNZRM-UHFFFAOYSA-N 1 3 364.559 2.027 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)N(C)C)cc1 ZINC000418235727 559395094 /nfs/dbraw/zinc/39/50/94/559395094.db2.gz SYZZVQVDKJJDDV-UNEWFSDZSA-N 1 3 350.532 2.390 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)N(C)C)cc1 ZINC000418240534 559395123 /nfs/dbraw/zinc/39/51/23/559395123.db2.gz ZQZDITKJQVKGBE-NUJGCVRESA-N 1 3 362.543 2.262 20 0 FEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418326811 559397521 /nfs/dbraw/zinc/39/75/21/559397521.db2.gz YMCPMJSWFGPEFD-MRXNPFEDSA-N 1 3 352.910 2.413 20 0 FEADHO O=C(NCCCNCc1cccnc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000418329457 559397769 /nfs/dbraw/zinc/39/77/69/559397769.db2.gz AZFFHVLOMGBLGS-LJQANCHMSA-N 1 3 359.518 2.221 20 0 FEADHO O=C(NCC[C@@H]1CC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000418330364 559397791 /nfs/dbraw/zinc/39/77/91/559397791.db2.gz CJLZIBUKBOPXJR-YSIASYRMSA-N 1 3 356.514 2.150 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418551578 559405919 /nfs/dbraw/zinc/40/59/19/559405919.db2.gz BEXRDSNCAWGQLH-PBHICJAKSA-N 1 3 352.910 2.411 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418553408 559405969 /nfs/dbraw/zinc/40/59/69/559405969.db2.gz COMAIPRTIYCNAU-SLYNCCJLSA-N 1 3 356.514 2.292 20 0 FEADHO C[C@@H]1CCN(C)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418562882 559406293 /nfs/dbraw/zinc/40/62/93/559406293.db2.gz GZSCQZOOHWLOSE-DDUZABMNSA-N 1 3 366.456 2.146 20 0 FEADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418596398 559407365 /nfs/dbraw/zinc/40/73/65/559407365.db2.gz OXNWRXNXFSBISE-SUMWQHHRSA-N 1 3 354.445 2.036 20 0 FEADHO COC[C@@]1(CNC(=O)N(C)C2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000418633346 559408711 /nfs/dbraw/zinc/40/87/11/559408711.db2.gz IBPRLLQXMAMXLH-NRFANRHFSA-N 1 3 374.529 2.061 20 0 FEADHO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)C[C@@H](C)C1 ZINC000418639939 559408975 /nfs/dbraw/zinc/40/89/75/559408975.db2.gz QGPCONCFEWFEGT-CPLUKWAASA-N 1 3 356.514 2.245 20 0 FEADHO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)C[C@@H](C)C1 ZINC000418639939 559408976 /nfs/dbraw/zinc/40/89/76/559408976.db2.gz QGPCONCFEWFEGT-CPLUKWAASA-N 1 3 356.514 2.245 20 0 FEADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000418658104 559409955 /nfs/dbraw/zinc/40/99/55/559409955.db2.gz VJVUFFUURJORNB-OXQOHEQNSA-N 1 3 374.529 2.144 20 0 FEADHO C[C@H](CCCC[NH3+])NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418709483 559411900 /nfs/dbraw/zinc/41/19/00/559411900.db2.gz UNVCLSARPXWQIG-BRWVUGGUSA-N 1 3 354.539 2.035 20 0 FEADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCN(Cc2ccccc2)CC1 ZINC000418779826 559415608 /nfs/dbraw/zinc/41/56/08/559415608.db2.gz BOTJTSMDCRXRTL-HSALFYBXSA-N 1 3 356.514 2.292 20 0 FEADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000418788068 559416210 /nfs/dbraw/zinc/41/62/10/559416210.db2.gz JSRARNCBDNQMPC-SLFFLAALSA-N 1 3 358.530 2.456 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418806610 559416875 /nfs/dbraw/zinc/41/68/75/559416875.db2.gz YRUQFEOFCJCPNU-OWCLPIDISA-N 1 3 350.532 2.209 20 0 FEADHO C[N@H+](CCCCN[C@@H](C(N)=O)c1ccc(Br)cc1)C1CC1 ZINC000419299692 559435816 /nfs/dbraw/zinc/43/58/16/559435816.db2.gz KJQRSCMWMLOMFT-OAHLLOKOSA-N 1 3 354.292 2.440 20 0 FEADHO C[N@@H+](CCCCN[C@@H](C(N)=O)c1ccc(Br)cc1)C1CC1 ZINC000419299692 559435817 /nfs/dbraw/zinc/43/58/17/559435817.db2.gz KJQRSCMWMLOMFT-OAHLLOKOSA-N 1 3 354.292 2.440 20 0 FEADHO CN(C)CC[C@](C)(O)CNC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000419994037 559468165 /nfs/dbraw/zinc/46/81/65/559468165.db2.gz JADZODGSCJENQN-BAGYTPMASA-N 1 3 373.541 2.108 20 0 FEADHO CN(C)CC[C@](C)(O)CNC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000419994037 559468166 /nfs/dbraw/zinc/46/81/66/559468166.db2.gz JADZODGSCJENQN-BAGYTPMASA-N 1 3 373.541 2.108 20 0 FEADHO CCN(CC)C(=O)C1([NH2+]C[C@H](O)[C@@H](N)Cc2ccccc2)CCCCC1 ZINC000420299237 559479170 /nfs/dbraw/zinc/47/91/70/559479170.db2.gz ILRVISIHJNHKOA-OALUTQOASA-N 1 3 361.530 2.078 20 0 FEADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN(CCCO)[C@@H]1CCc2ccccc21 ZINC000420302088 559479272 /nfs/dbraw/zinc/47/92/72/559479272.db2.gz LZPRYODRAZOXFY-BDTNDASRSA-N 1 3 354.494 2.289 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000420302088 559479273 /nfs/dbraw/zinc/47/92/73/559479273.db2.gz LZPRYODRAZOXFY-BDTNDASRSA-N 1 3 354.494 2.289 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000420302088 559479274 /nfs/dbraw/zinc/47/92/74/559479274.db2.gz LZPRYODRAZOXFY-BDTNDASRSA-N 1 3 354.494 2.289 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000420303929 559479416 /nfs/dbraw/zinc/47/94/16/559479416.db2.gz NYXPERKTRBPRFV-FSSWDIPSSA-N 1 3 354.494 2.456 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000420303929 559479417 /nfs/dbraw/zinc/47/94/17/559479417.db2.gz NYXPERKTRBPRFV-FSSWDIPSSA-N 1 3 354.494 2.456 20 0 FEADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H](COCc2ccccc2)C1 ZINC000420303929 559479418 /nfs/dbraw/zinc/47/94/18/559479418.db2.gz NYXPERKTRBPRFV-FSSWDIPSSA-N 1 3 354.494 2.456 20 0 FEADHO C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320394 559480000 /nfs/dbraw/zinc/48/00/00/559480000.db2.gz BNBVPXAILJCPIJ-KFWWJZLASA-N 1 3 362.449 2.184 20 0 FEADHO COc1ccc2c(c1)CCCN2C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346786 559482346 /nfs/dbraw/zinc/48/23/46/559482346.db2.gz ZBFATKOXSSBDTM-MSOLQXFVSA-N 1 3 357.498 2.296 20 0 FEADHO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420359467 559482910 /nfs/dbraw/zinc/48/29/10/559482910.db2.gz KRSZZSUHFTZAMY-CRAIPNDOSA-N 1 3 365.905 2.171 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)NCCC(C)(C)C)CC2)CC1 ZINC000420984866 559517566 /nfs/dbraw/zinc/51/75/66/559517566.db2.gz UYTCWVQPGLZWPG-UHFFFAOYSA-N 1 3 352.567 2.031 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)NCCC(C)(C)C)CC2)CC1 ZINC000420984866 559517567 /nfs/dbraw/zinc/51/75/67/559517567.db2.gz UYTCWVQPGLZWPG-UHFFFAOYSA-N 1 3 352.567 2.031 20 0 FEADHO CCOC(=O)[C@@H](CC(C)C)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420987121 559517729 /nfs/dbraw/zinc/51/77/29/559517729.db2.gz ZZRXUMSCTWHAPX-LJQANCHMSA-N 1 3 353.551 2.456 20 0 FEADHO CCOC(=O)[C@@H](CC(C)C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420987121 559517730 /nfs/dbraw/zinc/51/77/30/559517730.db2.gz ZZRXUMSCTWHAPX-LJQANCHMSA-N 1 3 353.551 2.456 20 0 FEADHO CCOC(=O)[C@@H](CC(C)C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420987121 559517731 /nfs/dbraw/zinc/51/77/31/559517731.db2.gz ZZRXUMSCTWHAPX-LJQANCHMSA-N 1 3 353.551 2.456 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000421006159 559519055 /nfs/dbraw/zinc/51/90/55/559519055.db2.gz PTBNHJJYHDUBKR-NRFANRHFSA-N 1 3 372.557 2.055 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000421006159 559519056 /nfs/dbraw/zinc/51/90/56/559519056.db2.gz PTBNHJJYHDUBKR-NRFANRHFSA-N 1 3 372.557 2.055 20 0 FEADHO COCCOc1cc2c(cc1CNC1CCC([NH+](C)C)CC1)OCO2 ZINC000421365744 559540289 /nfs/dbraw/zinc/54/02/89/559540289.db2.gz AUPXCMQPWAUXTP-UHFFFAOYSA-N 1 3 350.459 2.403 20 0 FEADHO CC[NH+]1CCC(N2CCCN(C(=O)[C@@H](C)N3CCCCCC3)CC2)CC1 ZINC000422021467 559561047 /nfs/dbraw/zinc/56/10/47/559561047.db2.gz NOLAWYBPTPBHHU-LJQANCHMSA-N 1 3 364.578 2.270 20 0 FEADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000422171693 559569401 /nfs/dbraw/zinc/56/94/01/559569401.db2.gz WRFPOPMWWDQMAP-KRWDZBQOSA-N 1 3 368.591 2.474 20 0 FEADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000422171693 559569402 /nfs/dbraw/zinc/56/94/02/559569402.db2.gz WRFPOPMWWDQMAP-KRWDZBQOSA-N 1 3 368.591 2.474 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000422707442 559603847 /nfs/dbraw/zinc/60/38/47/559603847.db2.gz AAOOTROFBIZKCU-UKRRQHHQSA-N 1 3 359.561 2.038 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2CN)s1 ZINC000422707442 559603848 /nfs/dbraw/zinc/60/38/48/559603848.db2.gz AAOOTROFBIZKCU-UKRRQHHQSA-N 1 3 359.561 2.038 20 0 FEADHO O=C(COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1)NC1CC1 ZINC000422715545 559604156 /nfs/dbraw/zinc/60/41/56/559604156.db2.gz SJWCXJWCGSKVFG-PWRODBHTSA-N 1 3 371.525 2.397 20 0 FEADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCCN(c3ccccc3)C2=O)CC[NH2+]CC1 ZINC000422746756 559605335 /nfs/dbraw/zinc/60/53/35/559605335.db2.gz XFTAYJPVGABGAH-SJLPKXTDSA-N 1 3 373.497 2.093 20 0 FEADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000422839044 559608130 /nfs/dbraw/zinc/60/81/30/559608130.db2.gz PPIZHPCNURZDEG-PXNSSMCTSA-N 1 3 374.573 2.161 20 0 FEADHO COc1cc(OC)c(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000422890846 559609949 /nfs/dbraw/zinc/60/99/49/559609949.db2.gz UATDVACUEKDIEG-FGTMMUONSA-N 1 3 364.486 2.002 20 0 FEADHO [NH3+][C@@H]1CCCCC[C@H]1NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000422911585 559611036 /nfs/dbraw/zinc/61/10/36/559611036.db2.gz LCOXBGUVKFUCGI-WOJBJXKFSA-N 1 3 358.530 2.262 20 0 FEADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)CC2)cs1 ZINC000422912417 559611142 /nfs/dbraw/zinc/61/11/42/559611142.db2.gz NBVGFDUVLSQHBV-FHLIZLRMSA-N 1 3 366.575 2.259 20 0 FEADHO CCOC(=O)C1([C@H](C)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)CC[NH2+]CC1 ZINC000422920169 559611423 /nfs/dbraw/zinc/61/14/23/559611423.db2.gz LSHLNZHLCRSBFS-RYRKJORJSA-N 1 3 373.497 2.091 20 0 FEADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CN1CCc2ccccc2C1 ZINC000422962571 559613071 /nfs/dbraw/zinc/61/30/71/559613071.db2.gz CQWVPCQCGFCVDD-GXRSIYKFSA-N 1 3 357.542 2.306 20 0 FEADHO OCC1CC[NH+](Cc2cccc(N[C@@H](C3CC3)[C@H]3CNCCO3)c2)CC1 ZINC000422983602 559613847 /nfs/dbraw/zinc/61/38/47/559613847.db2.gz UFKPGIWTDBAEEM-RTWAWAEBSA-N 1 3 359.514 2.070 20 0 FEADHO C[C@@H](N)C[C@H](C)[NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000423010012 559615006 /nfs/dbraw/zinc/61/50/06/559615006.db2.gz FMWYISCSHPRVRT-KGLIPLIRSA-N 1 3 357.495 2.084 20 0 FEADHO C[C@@H]([NH3+])C[C@H](C)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000423010012 559615007 /nfs/dbraw/zinc/61/50/07/559615007.db2.gz FMWYISCSHPRVRT-KGLIPLIRSA-N 1 3 357.495 2.084 20 0 FEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000423082453 559618041 /nfs/dbraw/zinc/61/80/41/559618041.db2.gz WUMNWXXXJNSKET-CRAIPNDOSA-N 1 3 367.559 2.127 20 0 FEADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)CC[NH2+]CC1 ZINC000423082219 559618057 /nfs/dbraw/zinc/61/80/57/559618057.db2.gz WPWHHDAZBWBLSC-MCIONIFRSA-N 1 3 351.495 2.290 20 0 FEADHO CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2nnc([C@H](C)CC)[n-]2)CC[NH2+]CC1 ZINC000423082219 559618058 /nfs/dbraw/zinc/61/80/58/559618058.db2.gz WPWHHDAZBWBLSC-MCIONIFRSA-N 1 3 351.495 2.290 20 0 FEADHO CCOC(=O)C1([C@H](C)N[C@@H](CN(C)C)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423102531 559619174 /nfs/dbraw/zinc/61/91/74/559619174.db2.gz FKNHXBIHUDZWAH-YJBOKZPZSA-N 1 3 365.493 2.339 20 0 FEADHO Brc1cccc2c1OCCC[C@@H]2NCCN1CC[NH2+]CC1 ZINC000423202962 559622729 /nfs/dbraw/zinc/62/27/29/559622729.db2.gz LQRZDNOCOOWEBD-HNNXBMFYSA-N 1 3 354.292 2.158 20 0 FEADHO CC(C)CO[C@@H]1C[C@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1(C)C ZINC000423397254 559627815 /nfs/dbraw/zinc/62/78/15/559627815.db2.gz UNHTVOAUANGFEE-RRFJBIMHSA-N 1 3 351.457 2.252 20 0 FEADHO CC(C)(C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H](N)c1ccccc1 ZINC000423415151 559628354 /nfs/dbraw/zinc/62/83/54/559628354.db2.gz OSQRIOMXPYXXIC-LPHOPBHVSA-N 1 3 359.514 2.330 20 0 FEADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423750300 559638308 /nfs/dbraw/zinc/63/83/08/559638308.db2.gz XMIIOIODSJCZPI-UXHICEINSA-N 1 3 372.557 2.341 20 0 FEADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423750300 559638309 /nfs/dbraw/zinc/63/83/09/559638309.db2.gz XMIIOIODSJCZPI-UXHICEINSA-N 1 3 372.557 2.341 20 0 FEADHO CC[C@@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)N(C)Cc1ccccc1 ZINC000423942417 559647271 /nfs/dbraw/zinc/64/72/71/559647271.db2.gz AXSAQGCIGBGLQF-CBNMVNINSA-N 1 3 372.557 2.230 20 0 FEADHO CC[C@@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)N(C)Cc1ccccc1 ZINC000423942417 559647272 /nfs/dbraw/zinc/64/72/72/559647272.db2.gz AXSAQGCIGBGLQF-CBNMVNINSA-N 1 3 372.557 2.230 20 0 FEADHO C[C@H]1CC2(CN1CCCS(=O)(=O)c1ccc(F)cc1)CC[NH2+]CC2 ZINC000424290422 559660812 /nfs/dbraw/zinc/66/08/12/559660812.db2.gz MNQMGRBMPOGOQQ-HNNXBMFYSA-N 1 3 354.491 2.454 20 0 FEADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424468701 559666420 /nfs/dbraw/zinc/66/64/20/559666420.db2.gz PLNFNEIJFKILRH-MJGOQNOKSA-N 1 3 374.529 2.409 20 0 FEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000426788139 559742001 /nfs/dbraw/zinc/74/20/01/559742001.db2.gz KSKSFEDPDOLBCE-KRWDZBQOSA-N 1 3 361.530 2.349 20 0 FEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000426788139 559742002 /nfs/dbraw/zinc/74/20/02/559742002.db2.gz KSKSFEDPDOLBCE-KRWDZBQOSA-N 1 3 361.530 2.349 20 0 FEADHO C[C@@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000429012424 559788528 /nfs/dbraw/zinc/78/85/28/559788528.db2.gz UZGFKSKLJQAKTG-RTBURBONSA-N 1 3 358.530 2.093 20 0 FEADHO COc1cc(NC(=O)CCN2CCC[C@@H]([C@H](C)[NH3+])C2)cc(OC)c1OC ZINC000430548168 559822338 /nfs/dbraw/zinc/82/23/38/559822338.db2.gz GHAKPDGBULKXOV-UONOGXRCSA-N 1 3 365.474 2.100 20 0 FEADHO COc1ccc([C@@H]2CCCN2C(=O)CN2CCC(C[NH3+])CC2)cc1OC ZINC000430606917 559824570 /nfs/dbraw/zinc/82/45/70/559824570.db2.gz XPPBEEIQABWSGZ-KRWDZBQOSA-N 1 3 361.486 2.038 20 0 FEADHO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC(C[NH3+])CC1 ZINC000430639360 559825292 /nfs/dbraw/zinc/82/52/92/559825292.db2.gz HTUYWOALFVJJGH-CYBMUJFWSA-N 1 3 368.319 2.467 20 0 FEADHO O=C(CNC[C@H]1CCCO1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000430704644 559826683 /nfs/dbraw/zinc/82/66/83/559826683.db2.gz IVFRBQAZSXNPLB-IFMALSPDSA-N 1 3 371.525 2.270 20 0 FEADHO O=C(CNC[C@H]1CCCO1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000430704644 559826684 /nfs/dbraw/zinc/82/66/84/559826684.db2.gz IVFRBQAZSXNPLB-IFMALSPDSA-N 1 3 371.525 2.270 20 0 FEADHO C[C@H]1C[NH+](CCCCNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C[C@H](C)O1 ZINC000438895908 559985365 /nfs/dbraw/zinc/98/53/65/559985365.db2.gz RTIQEVPUMQPFTF-BXWFABGCSA-N 1 3 372.513 2.043 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000439086297 559988269 /nfs/dbraw/zinc/98/82/69/559988269.db2.gz BASVBDIATKWUSP-HOTGVXAUSA-N 1 3 362.518 2.330 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000440771616 560017897 /nfs/dbraw/zinc/01/78/97/560017897.db2.gz CTRCTSGRVOFDLY-UHFFFAOYSA-N 1 3 368.566 2.295 20 0 FEADHO CCCC[C@H](N)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000442719528 560055157 /nfs/dbraw/zinc/05/51/57/560055157.db2.gz QETANEZMQYFZEA-IBGZPJMESA-N 1 3 352.567 2.159 20 0 FEADHO CC(C)[C@@H](C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1)N1CCCCC1 ZINC000443812671 560093640 /nfs/dbraw/zinc/09/36/40/560093640.db2.gz YXADUUYDQWLJRO-OALUTQOASA-N 1 3 351.535 2.210 20 0 FEADHO COCCC1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000527723484 562301433 /nfs/dbraw/zinc/30/14/33/562301433.db2.gz AQVLGXFKAAQQFI-UHFFFAOYSA-N 1 3 366.550 2.003 20 0 FEADHO O=C(NCCCOC1CCN(Cc2ccccc2)CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444270299 560107666 /nfs/dbraw/zinc/10/76/66/560107666.db2.gz OHYSZFXKZMVDCB-IFMALSPDSA-N 1 3 371.525 2.174 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)COC1CCC([NH3+])CC1 ZINC000449134758 560217501 /nfs/dbraw/zinc/21/75/01/560217501.db2.gz LGSVAXAPYLDBQE-KKXNLOMOSA-N 1 3 359.514 2.396 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(F)(F)F ZINC000449724083 560238280 /nfs/dbraw/zinc/23/82/80/560238280.db2.gz GPAAMMLOTYBYHU-DZGCQCFKSA-N 1 3 361.383 2.434 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527861238 562306687 /nfs/dbraw/zinc/30/66/87/562306687.db2.gz BYVSDNYCLQFSQP-LJQANCHMSA-N 1 3 369.912 2.446 20 0 FEADHO C[C@@H](c1ccccc1)[C@@H](O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000450628153 560268485 /nfs/dbraw/zinc/26/84/85/560268485.db2.gz VRKOCJJDISVQBC-GCONPWAGSA-N 1 3 357.542 2.394 20 0 FEADHO C[C@@H](c1ccccc1)[C@@H](O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000450628153 560268486 /nfs/dbraw/zinc/26/84/86/560268486.db2.gz VRKOCJJDISVQBC-GCONPWAGSA-N 1 3 357.542 2.394 20 0 FEADHO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(F)c(CN2CC[C@H](CO)[C@H]2C)c1 ZINC000450883506 560276577 /nfs/dbraw/zinc/27/65/77/560276577.db2.gz PTYUYGBKKRKYHH-XYVMCAHJSA-N 1 3 350.478 2.231 20 0 FEADHO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(F)c(CN2CC[C@H](CO)[C@H]2C)c1 ZINC000450883506 560276578 /nfs/dbraw/zinc/27/65/78/560276578.db2.gz PTYUYGBKKRKYHH-XYVMCAHJSA-N 1 3 350.478 2.231 20 0 FEADHO CN(c1ccccc1CNCCN1C[C@H]2CC[C@@H](C1)O2)C1CC[NH+](C)CC1 ZINC000451224036 560294141 /nfs/dbraw/zinc/29/41/41/560294141.db2.gz XARYWYWMWWRSCN-OYRHEFFESA-N 1 3 372.557 2.170 20 0 FEADHO CN(c1ccccc1C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)C1CCN(C)CC1 ZINC000451224036 560294142 /nfs/dbraw/zinc/29/41/42/560294142.db2.gz XARYWYWMWWRSCN-OYRHEFFESA-N 1 3 372.557 2.170 20 0 FEADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(C[C@@H]3CCC(C)(C)O3)C2)CC1 ZINC000451535464 560312955 /nfs/dbraw/zinc/31/29/55/560312955.db2.gz ZXHMFXDCIHSYAT-OALUTQOASA-N 1 3 351.535 2.210 20 0 FEADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(C[C@@H]3CCC(C)(C)O3)C2)CC1 ZINC000451535464 560312956 /nfs/dbraw/zinc/31/29/56/560312956.db2.gz ZXHMFXDCIHSYAT-OALUTQOASA-N 1 3 351.535 2.210 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CC[C@@H](CCCO)C2)CC1 ZINC000452114154 560352253 /nfs/dbraw/zinc/35/22/53/560352253.db2.gz AHOPBZPDVZWCEA-HXUWFJFHSA-N 1 3 373.541 2.124 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CC[C@@H](CCCO)C2)CC1 ZINC000452114154 560352254 /nfs/dbraw/zinc/35/22/54/560352254.db2.gz AHOPBZPDVZWCEA-HXUWFJFHSA-N 1 3 373.541 2.124 20 0 FEADHO CC1(C(=O)NC[C@H]2CCCN2CCCO)CC[NH+](Cc2ccccc2)CC1 ZINC000452361276 560360178 /nfs/dbraw/zinc/36/01/78/560360178.db2.gz JVNMQYQXFDIHMC-HXUWFJFHSA-N 1 3 373.541 2.252 20 0 FEADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCCCN2CCO)cc1 ZINC000452393501 560363215 /nfs/dbraw/zinc/36/32/15/560363215.db2.gz SSODMWDVGSJUCA-HXUWFJFHSA-N 1 3 361.530 2.495 20 0 FEADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCCCN2CCO)cc1 ZINC000452393501 560363216 /nfs/dbraw/zinc/36/32/16/560363216.db2.gz SSODMWDVGSJUCA-HXUWFJFHSA-N 1 3 361.530 2.495 20 0 FEADHO CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)N(C)C ZINC000453016203 560381178 /nfs/dbraw/zinc/38/11/78/560381178.db2.gz LQNUODBRTOBPOH-IBGZPJMESA-N 1 3 360.502 2.066 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCN1C ZINC000453702712 560398060 /nfs/dbraw/zinc/39/80/60/560398060.db2.gz AAXYYYTXCIVRTB-LSBZLQRGSA-N 1 3 372.513 2.115 20 0 FEADHO COCCN1CC[C@H](NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000454534118 560448619 /nfs/dbraw/zinc/44/86/19/560448619.db2.gz DPMHFDFDJYCBGB-IBGZPJMESA-N 1 3 374.529 2.061 20 0 FEADHO COCCN1CC[C@H](NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000454534118 560448620 /nfs/dbraw/zinc/44/86/20/560448620.db2.gz DPMHFDFDJYCBGB-IBGZPJMESA-N 1 3 374.529 2.061 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000454580588 560450233 /nfs/dbraw/zinc/45/02/33/560450233.db2.gz AGSTXIJKQACUCT-GSEOLPGOSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000454580588 560450234 /nfs/dbraw/zinc/45/02/34/560450234.db2.gz AGSTXIJKQACUCT-GSEOLPGOSA-N 1 3 356.514 2.385 20 0 FEADHO CC[C@H](C)N[C@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)c1ccco1 ZINC000455652211 560490676 /nfs/dbraw/zinc/49/06/76/560490676.db2.gz YNALBMYSYMMFHS-LSDHHAIUSA-N 1 3 362.478 2.289 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccnn1CCN(C)C ZINC000455668737 560491255 /nfs/dbraw/zinc/49/12/55/560491255.db2.gz MSJCNSRPPMVPAE-MRXNPFEDSA-N 1 3 350.511 2.221 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccnn1CCN(C)C ZINC000455668737 560491256 /nfs/dbraw/zinc/49/12/56/560491256.db2.gz MSJCNSRPPMVPAE-MRXNPFEDSA-N 1 3 350.511 2.221 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455670564 560491307 /nfs/dbraw/zinc/49/13/07/560491307.db2.gz QPAAOTKGVZHROZ-IAGOWNOFSA-N 1 3 364.538 2.324 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)C2C[NH+](C3CCCCC3)C2)C[C@@H](C)O1 ZINC000457620545 560578426 /nfs/dbraw/zinc/57/84/26/560578426.db2.gz DZDQLYCXFXLKQD-IAGOWNOFSA-N 1 3 351.535 2.257 20 0 FEADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000457804462 560588679 /nfs/dbraw/zinc/58/86/79/560588679.db2.gz UEPPWTOVSZDSKH-KRWDZBQOSA-N 1 3 368.591 2.379 20 0 FEADHO C[N@H+]1CCC[C@@H](CCNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000457804462 560588680 /nfs/dbraw/zinc/58/86/80/560588680.db2.gz UEPPWTOVSZDSKH-KRWDZBQOSA-N 1 3 368.591 2.379 20 0 FEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000457956139 560596263 /nfs/dbraw/zinc/59/62/63/560596263.db2.gz OWRJBXUWAPLRDF-HLNWXESRSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000457956139 560596264 /nfs/dbraw/zinc/59/62/64/560596264.db2.gz OWRJBXUWAPLRDF-HLNWXESRSA-N 1 3 350.551 2.480 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000458163444 560606303 /nfs/dbraw/zinc/60/63/03/560606303.db2.gz JGYONHQDZJNSJE-FQEVSTJZSA-N 1 3 372.557 2.355 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC[C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000458163444 560606305 /nfs/dbraw/zinc/60/63/05/560606305.db2.gz JGYONHQDZJNSJE-FQEVSTJZSA-N 1 3 372.557 2.355 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459288804 560677677 /nfs/dbraw/zinc/67/76/77/560677677.db2.gz GKEBZEWTYBLQKY-LPHOPBHVSA-N 1 3 362.518 2.329 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459288804 560677678 /nfs/dbraw/zinc/67/76/78/560677678.db2.gz GKEBZEWTYBLQKY-LPHOPBHVSA-N 1 3 362.518 2.329 20 0 FEADHO C[C@H]1CN(c2ccccc2CN2CCC(OCC[NH+](C)C)CC2)CCO1 ZINC000459351318 560681589 /nfs/dbraw/zinc/68/15/89/560681589.db2.gz PDYMJPZUQANDGN-SFHVURJKSA-N 1 3 361.530 2.454 20 0 FEADHO O=C(NCCNC1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000459423470 560685750 /nfs/dbraw/zinc/68/57/50/560685750.db2.gz ZKUBVJPSBADUPS-UHFFFAOYSA-N 1 3 366.303 2.395 20 0 FEADHO C[C@@H](CC(F)(F)F)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000464359658 560839682 /nfs/dbraw/zinc/83/96/82/560839682.db2.gz IYQJFFMNJLPTKR-LBPRGKRZSA-N 1 3 350.429 2.185 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000464964224 560855868 /nfs/dbraw/zinc/85/58/68/560855868.db2.gz YGWVJDSXFGAVAJ-GOSISDBHSA-N 1 3 372.557 2.363 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000464964224 560855869 /nfs/dbraw/zinc/85/58/69/560855869.db2.gz YGWVJDSXFGAVAJ-GOSISDBHSA-N 1 3 372.557 2.363 20 0 FEADHO CC1CCN(CCNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000465546563 560867770 /nfs/dbraw/zinc/86/77/70/560867770.db2.gz RYMYPSCIVUJOTG-UHFFFAOYSA-N 1 3 358.530 2.117 20 0 FEADHO CN(C)C1(CNC(=O)NCCC2CC[NH+](C)CC2)Cc2ccccc2C1 ZINC000465888358 560875247 /nfs/dbraw/zinc/87/52/47/560875247.db2.gz CUFCVRNHVYRXMD-UHFFFAOYSA-N 1 3 358.530 2.117 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000465893294 560875300 /nfs/dbraw/zinc/87/53/00/560875300.db2.gz DWAWCPIJWPSCIG-MISYRCLQSA-N 1 3 358.530 2.333 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000465893294 560875301 /nfs/dbraw/zinc/87/53/01/560875301.db2.gz DWAWCPIJWPSCIG-MISYRCLQSA-N 1 3 358.530 2.333 20 0 FEADHO CN(C)C1(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)Cc2ccccc2C1 ZINC000466013023 560877934 /nfs/dbraw/zinc/87/79/34/560877934.db2.gz UXZHKGGDCQCTEM-KRWDZBQOSA-N 1 3 358.530 2.069 20 0 FEADHO CN(C)C1(CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)Cc2ccccc2C1 ZINC000466013023 560877935 /nfs/dbraw/zinc/87/79/35/560877935.db2.gz UXZHKGGDCQCTEM-KRWDZBQOSA-N 1 3 358.530 2.069 20 0 FEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000469411668 560954578 /nfs/dbraw/zinc/95/45/78/560954578.db2.gz ILSRNJQYZOTJNK-LJQANCHMSA-N 1 3 360.546 2.354 20 0 FEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000469411668 560954579 /nfs/dbraw/zinc/95/45/79/560954579.db2.gz ILSRNJQYZOTJNK-LJQANCHMSA-N 1 3 360.546 2.354 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000469976580 560970380 /nfs/dbraw/zinc/97/03/80/560970380.db2.gz WNLDNFJGDFOGNM-OAQYLSRUSA-N 1 3 370.541 2.202 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000469976580 560970381 /nfs/dbraw/zinc/97/03/81/560970381.db2.gz WNLDNFJGDFOGNM-OAQYLSRUSA-N 1 3 370.541 2.202 20 0 FEADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000470002309 560971647 /nfs/dbraw/zinc/97/16/47/560971647.db2.gz HVRPDARZELJEEI-GOSISDBHSA-N 1 3 356.445 2.175 20 0 FEADHO C[NH+](C)CCCOC1CCN(C(=O)CCN2CCc3ccccc3C2)CC1 ZINC000471379627 561003186 /nfs/dbraw/zinc/00/31/86/561003186.db2.gz LCPOLVLLTQQLTL-UHFFFAOYSA-N 1 3 373.541 2.394 20 0 FEADHO CC1CCN(CCNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000471601114 561008348 /nfs/dbraw/zinc/00/83/48/561008348.db2.gz HEWUUDYYBAHMAS-OYRHEFFESA-N 1 3 370.541 2.492 20 0 FEADHO CC1CCN(CCNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000471601114 561008349 /nfs/dbraw/zinc/00/83/49/561008349.db2.gz HEWUUDYYBAHMAS-OYRHEFFESA-N 1 3 370.541 2.492 20 0 FEADHO CN1CCC[C@@H](CNC(=O)NCCOCC[NH+](C)C)[C@@H]1c1cccs1 ZINC000471634852 561009304 /nfs/dbraw/zinc/00/93/04/561009304.db2.gz HLKMVKQBUUFDJX-DOTOQJQBSA-N 1 3 368.547 2.008 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CN1C1CC1 ZINC000472036239 561016451 /nfs/dbraw/zinc/01/64/51/561016451.db2.gz CJIILPPVQDZSCR-RSPOEFSDSA-N 1 3 368.525 2.385 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CN1C1CC1 ZINC000472036239 561016452 /nfs/dbraw/zinc/01/64/52/561016452.db2.gz CJIILPPVQDZSCR-RSPOEFSDSA-N 1 3 368.525 2.385 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCCN1C ZINC000472160892 561019767 /nfs/dbraw/zinc/01/97/67/561019767.db2.gz LCTGNSAHEKBUJY-LMCOJAPRSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCCN1C ZINC000472160892 561019768 /nfs/dbraw/zinc/01/97/68/561019768.db2.gz LCTGNSAHEKBUJY-LMCOJAPRSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000474307016 561070771 /nfs/dbraw/zinc/07/07/71/561070771.db2.gz GGOGRSDHQPXSOU-HRJSJKBJSA-N 1 3 351.441 2.399 20 0 FEADHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000476270263 561114983 /nfs/dbraw/zinc/11/49/83/561114983.db2.gz WVCPAWGRSWPYQX-VQTJNVASSA-N 1 3 374.529 2.061 20 0 FEADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000476270263 561114984 /nfs/dbraw/zinc/11/49/84/561114984.db2.gz WVCPAWGRSWPYQX-VQTJNVASSA-N 1 3 374.529 2.061 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000476744980 561127531 /nfs/dbraw/zinc/12/75/31/561127531.db2.gz XTCQIMWELFRIQB-FGTMMUONSA-N 1 3 368.566 2.153 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000476744980 561127532 /nfs/dbraw/zinc/12/75/32/561127532.db2.gz XTCQIMWELFRIQB-FGTMMUONSA-N 1 3 368.566 2.153 20 0 FEADHO CO[C@H](Cc1ccc(F)cc1)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000528430700 562328924 /nfs/dbraw/zinc/32/89/24/562328924.db2.gz KOMKFVKMWGDLOH-WMQCIHAUSA-N 1 3 363.521 2.341 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529360852 562370959 /nfs/dbraw/zinc/37/09/59/562370959.db2.gz UIOHBHCAPCYWES-IBGZPJMESA-N 1 3 356.514 2.497 20 0 FEADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239687 562403632 /nfs/dbraw/zinc/40/36/32/562403632.db2.gz HCDGIUPTAANWAK-LAUBAEHRSA-N 1 3 371.525 2.050 20 0 FEADHO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)n(C2CCN(C)CC2)n1 ZINC000530712145 562421487 /nfs/dbraw/zinc/42/14/87/562421487.db2.gz XBHVSHOAAJEQEL-INIZCTEOSA-N 1 3 362.522 2.310 20 0 FEADHO Cc1cc(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)n(C2CCN(C)CC2)n1 ZINC000530712145 562421488 /nfs/dbraw/zinc/42/14/88/562421488.db2.gz XBHVSHOAAJEQEL-INIZCTEOSA-N 1 3 362.522 2.310 20 0 FEADHO CCO[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C12CCCCC2 ZINC000531424596 562445393 /nfs/dbraw/zinc/44/53/93/562445393.db2.gz MMNWGRMIAVEUSC-QZTJIDSGSA-N 1 3 368.566 2.249 20 0 FEADHO Cc1cc(NC(=O)N2CCCN(C(C)C)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000531428013 562445539 /nfs/dbraw/zinc/44/55/39/562445539.db2.gz ZCJDSUDDXHYULN-UHFFFAOYSA-N 1 3 362.522 2.406 20 0 FEADHO Cc1c([C@H](C)NCCCC[NH+]2CCN(C)CC2)nnn1-c1ccccc1 ZINC000532450249 562478560 /nfs/dbraw/zinc/47/85/60/562478560.db2.gz HOEYJAHVRXFCLN-KRWDZBQOSA-N 1 3 356.518 2.254 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)NC(=O)NCc2ccccc2)C[C@@H]1C ZINC000532589912 562482424 /nfs/dbraw/zinc/48/24/24/562482424.db2.gz YYBCWFCLQTZIJW-FUHWJXTLSA-N 1 3 360.502 2.207 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)NC(=O)NCc2ccccc2)C[C@@H]1C ZINC000532589912 562482425 /nfs/dbraw/zinc/48/24/25/562482425.db2.gz YYBCWFCLQTZIJW-FUHWJXTLSA-N 1 3 360.502 2.207 20 0 FEADHO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000532674184 562485214 /nfs/dbraw/zinc/48/52/14/562485214.db2.gz RHSGWXOAGKMXRH-MRXNPFEDSA-N 1 3 362.518 2.332 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)Cc1ccccc1 ZINC000533811392 562518719 /nfs/dbraw/zinc/51/87/19/562518719.db2.gz CKNUTQOFWNSFBU-UXHICEINSA-N 1 3 358.530 2.429 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)CCN(C)c3ccncc3)CCCC2)CC1 ZINC000540925985 562597245 /nfs/dbraw/zinc/59/72/45/562597245.db2.gz QXYVIWPWORNOGH-UHFFFAOYSA-N 1 3 374.529 2.448 20 0 FEADHO Cc1cc(NC(=O)NCC2(C)CC[NH+](C)CC2)n(C2CCN(C)CC2)n1 ZINC000540949089 562598039 /nfs/dbraw/zinc/59/80/39/562598039.db2.gz IBXUMKKRRVIMNT-UHFFFAOYSA-N 1 3 362.522 2.312 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000549807851 562639947 /nfs/dbraw/zinc/63/99/47/562639947.db2.gz OFJKUWVRPHJPAJ-FXAWDEMLSA-N 1 3 359.514 2.134 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000549807851 562639948 /nfs/dbraw/zinc/63/99/48/562639948.db2.gz OFJKUWVRPHJPAJ-FXAWDEMLSA-N 1 3 359.514 2.134 20 0 FEADHO C[C@H](C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)CN1CCCCC1 ZINC000556058781 674386571 /nfs/dbraw/zinc/38/65/71/674386571.db2.gz DBZFBQDEDUMCLL-DNVCBOLYSA-N 1 3 365.543 2.423 20 0 FEADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000652640802 567975101 /nfs/dbraw/zinc/97/51/01/567975101.db2.gz MFTFMEDWICNRKK-UHFFFAOYSA-N 1 3 368.481 2.031 20 0 FEADHO CCOC(=O)[C@](C)(CNC1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000602627992 568007269 /nfs/dbraw/zinc/00/72/69/568007269.db2.gz AAEAGYCRDXYJNQ-OAQYLSRUSA-N 1 3 362.514 2.332 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3cc(C(=O)OC)c(C)[nH]3)CC2)CC1 ZINC000602701094 568017315 /nfs/dbraw/zinc/01/73/15/568017315.db2.gz ZYJXQWRVBFWVDT-UHFFFAOYSA-N 1 3 362.518 2.102 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000636873206 568140222 /nfs/dbraw/zinc/14/02/22/568140222.db2.gz LDTHAUORDJYVMG-RTBURBONSA-N 1 3 359.518 2.220 20 0 FEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000604179879 568219498 /nfs/dbraw/zinc/21/94/98/568219498.db2.gz UJONNWPRSIDTSP-KRWDZBQOSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000604179879 568219499 /nfs/dbraw/zinc/21/94/99/568219499.db2.gz UJONNWPRSIDTSP-KRWDZBQOSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)N1CCCC[C@@H]1C ZINC000604171448 568221178 /nfs/dbraw/zinc/22/11/78/568221178.db2.gz MFSUNHKDUQQXLS-DLBZAZTESA-N 1 3 354.539 2.002 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)N2CCC(OCC[NH+](C)C)CC2)c1 ZINC000604173404 568221497 /nfs/dbraw/zinc/22/14/97/568221497.db2.gz LQEWFHBHHMTUOZ-UHFFFAOYSA-N 1 3 362.518 2.000 20 0 FEADHO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000604204152 568228092 /nfs/dbraw/zinc/22/80/92/568228092.db2.gz ZXEURYATMGIGIH-OAHLLOKOSA-N 1 3 366.456 2.275 20 0 FEADHO Cn1ccnc1COc1ccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000563135598 568266462 /nfs/dbraw/zinc/26/64/62/568266462.db2.gz NWWUKTQOQABOOV-GOSISDBHSA-N 1 3 370.497 2.186 20 0 FEADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000562314758 674740556 /nfs/dbraw/zinc/74/05/56/674740556.db2.gz KVRFWJMABQKRQN-HNNXBMFYSA-N 1 3 350.459 2.008 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[NH2+]1 ZINC000574142263 671207093 /nfs/dbraw/zinc/20/70/93/671207093.db2.gz XBGGQNGWVVLCMG-MWTAGDMHSA-N 1 3 362.440 2.231 20 0 FEADHO CC1CCN(C[C@H](O)C[NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000577492908 671600046 /nfs/dbraw/zinc/60/00/46/671600046.db2.gz PJLIEBXHFXFPJD-QGZVFWFLSA-N 1 3 353.894 2.351 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC(C)(C)[C@@H]3C)CC2)CC1 ZINC000583271679 672079887 /nfs/dbraw/zinc/07/98/87/672079887.db2.gz LTXMCQFLMBGZPD-INIZCTEOSA-N 1 3 351.535 2.209 20 0 FEADHO O=c1ccc(Br)cn1CC[NH2+]C1CCN(CC2CC2)CC1 ZINC000583421812 672092955 /nfs/dbraw/zinc/09/29/55/672092955.db2.gz QQZBUJVUGVQPGU-UHFFFAOYSA-N 1 3 354.292 2.075 20 0 FEADHO C[C@@H](CN[C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1)[NH+](C)C ZINC000680338506 672566467 /nfs/dbraw/zinc/56/64/67/672566467.db2.gz IIKSEAPTFHRYKE-KSSFIOAISA-N 1 3 366.937 2.118 20 0 FEADHO C[C@@H](CN[C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1)[NH+](C)C ZINC000680338498 672566509 /nfs/dbraw/zinc/56/65/09/672566509.db2.gz IIKSEAPTFHRYKE-KBXCAEBGSA-N 1 3 366.937 2.118 20 0 FEADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593315821 672908432 /nfs/dbraw/zinc/90/84/32/672908432.db2.gz LXLQRQWYKSMKIG-RDTXWAMCSA-N 1 3 350.507 2.401 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCCCS3)CC2)CC1 ZINC000542252121 673570450 /nfs/dbraw/zinc/57/04/50/673570450.db2.gz BIDNGDXASKQGCX-KRWDZBQOSA-N 1 3 354.564 2.130 20 0 FEADHO COc1cc2c(cc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)OCO2 ZINC000545353627 673762287 /nfs/dbraw/zinc/76/22/87/673762287.db2.gz QJLFWUKGTCCBMD-GJZGRUSLSA-N 1 3 350.459 2.403 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cccc(Br)c1 ZINC000617504991 676289026 /nfs/dbraw/zinc/28/90/26/676289026.db2.gz SJVABGFUADBAKN-AWEZNQCLSA-N 1 3 370.335 2.380 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cccc(Br)c1 ZINC000617504991 676289028 /nfs/dbraw/zinc/28/90/28/676289028.db2.gz SJVABGFUADBAKN-AWEZNQCLSA-N 1 3 370.335 2.380 20 0 FEADHO C[C@H](C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C)N1CCCCCC1 ZINC000622755407 676504885 /nfs/dbraw/zinc/50/48/85/676504885.db2.gz YSGZEBVOUKKEQB-QZTJIDSGSA-N 1 3 351.535 2.353 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(F)c(F)c2N(C)C)CC1 ZINC000623402713 676533300 /nfs/dbraw/zinc/53/33/00/676533300.db2.gz WOUIZURZYIFPEO-OAHLLOKOSA-N 1 3 354.489 2.394 20 0 FEADHO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)c1nc(N)nc(N)n1 ZINC000624395999 676577772 /nfs/dbraw/zinc/57/77/72/676577772.db2.gz YEPYTLDAHJGKKR-UHFFFAOYSA-N 1 3 363.897 2.089 20 0 FEADHO C[C@H]1CC[C@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C[NH2+]1 ZINC000627022303 676735279 /nfs/dbraw/zinc/73/52/79/676735279.db2.gz CTOKBZMZHFRVGN-UJHNXHIOSA-N 1 3 362.440 2.231 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)N(C)C)cc1 ZINC000627045640 676736619 /nfs/dbraw/zinc/73/66/19/676736619.db2.gz PXJQDLFEGPIXKT-KMFMINBZSA-N 1 3 350.532 2.451 20 0 FEADHO CSc1nnc(CCCNC[C@H](O)C[NH+]2CCCC2)n1C1CCCC1 ZINC000629554471 676859300 /nfs/dbraw/zinc/85/93/00/676859300.db2.gz IERPVRFTRPHFRI-INIZCTEOSA-N 1 3 367.563 2.094 20 0 FEADHO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1cccc(Br)c1 ZINC000629564456 676859883 /nfs/dbraw/zinc/85/98/83/676859883.db2.gz KWVQBTLQZNWGEY-HIFRSBDPSA-N 1 3 357.292 2.263 20 0 FEADHO C[NH+]1CCC2(CC1)CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)CCO2 ZINC000830638176 677051870 /nfs/dbraw/zinc/05/18/70/677051870.db2.gz UINCPMHHDAEHMU-MRXNPFEDSA-N 1 3 353.507 2.040 20 0 FEADHO FC(F)[C@H]1CCN(CCCC[N@@H+]2CCO[C@@H](C(F)F)CC2)CCO1 ZINC000634757175 677081411 /nfs/dbraw/zinc/08/14/11/677081411.db2.gz MQHLAUZDNWPMNW-ZIAGYGMSSA-N 1 3 356.404 2.479 20 0 FEADHO FC(F)[C@H]1CCN(CCCC[N@H+]2CCO[C@@H](C(F)F)CC2)CCO1 ZINC000634757175 677081412 /nfs/dbraw/zinc/08/14/12/677081412.db2.gz MQHLAUZDNWPMNW-ZIAGYGMSSA-N 1 3 356.404 2.479 20 0 FEADHO CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635896858 677109543 /nfs/dbraw/zinc/10/95/43/677109543.db2.gz YATPBOHVLZLZPN-QGZVFWFLSA-N 1 3 353.551 2.048 20 0 FEADHO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cnc(CN)nc1 ZINC000638089211 677139692 /nfs/dbraw/zinc/13/96/92/677139692.db2.gz PFRQMDWQZQSZHB-UHFFFAOYSA-N 1 3 357.483 2.045 20 0 FEADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639819517 677167142 /nfs/dbraw/zinc/16/71/42/677167142.db2.gz ITBMCCWHBWDUFE-KRWDZBQOSA-N 1 3 364.500 2.361 20 0 FEADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639819517 677167143 /nfs/dbraw/zinc/16/71/43/677167143.db2.gz ITBMCCWHBWDUFE-KRWDZBQOSA-N 1 3 364.500 2.361 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=S)NCC1CC[NH+](C)CC1 ZINC000760479232 680689318 /nfs/dbraw/zinc/68/93/18/680689318.db2.gz YMAVGQVRYPTMNR-UHFFFAOYSA-N 1 3 366.550 2.406 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=S)NCC2CC[NH+](C)CC2)o1 ZINC000760479145 680689324 /nfs/dbraw/zinc/68/93/24/680689324.db2.gz PLDGDVUQFXODIO-UHFFFAOYSA-N 1 3 352.548 2.168 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000643470365 677226948 /nfs/dbraw/zinc/22/69/48/677226948.db2.gz IVMAZNNBVDGWLS-ZFWWWQNUSA-N 1 3 359.392 2.154 20 0 FEADHO CSc1cccnc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000650449219 677376171 /nfs/dbraw/zinc/37/61/71/677376171.db2.gz BOBYLGRRTONNIA-UHFFFAOYSA-N 1 3 363.531 2.484 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000650725001 677387390 /nfs/dbraw/zinc/38/73/90/677387390.db2.gz QUOKSTIWVZYTQD-ZDUSSCGKSA-N 1 3 355.404 2.481 20 0 FEADHO CC(C)N(C(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CCCC1 ZINC000652347575 677480736 /nfs/dbraw/zinc/48/07/36/677480736.db2.gz DRUCBDZYYNCVLB-YQVWRLOYSA-N 1 3 351.535 2.384 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](CC(C)C)OC)CC2)CC1 ZINC000655149969 677625602 /nfs/dbraw/zinc/62/56/02/677625602.db2.gz HZTXWBZZDSVNGU-IBGZPJMESA-N 1 3 353.551 2.360 20 0 FEADHO CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000655924669 677692910 /nfs/dbraw/zinc/69/29/10/677692910.db2.gz NWPCEGBGGZPZPQ-HUUCEWRRSA-N 1 3 358.408 2.182 20 0 FEADHO COc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663432985 678739525 /nfs/dbraw/zinc/73/95/25/678739525.db2.gz XUNXXGIRNKXWBX-JKSUJKDBSA-N 1 3 350.507 2.327 20 0 FEADHO COc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663432985 678739526 /nfs/dbraw/zinc/73/95/26/678739526.db2.gz XUNXXGIRNKXWBX-JKSUJKDBSA-N 1 3 350.507 2.327 20 0 FEADHO COc1ccsc1CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663514177 678749508 /nfs/dbraw/zinc/74/95/08/678749508.db2.gz XSRNRPIUMQAXRP-AWEZNQCLSA-N 1 3 361.515 2.269 20 0 FEADHO COc1cc(C)ccc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664401241 678873630 /nfs/dbraw/zinc/87/36/30/678873630.db2.gz LDHUWTDRKJTUCA-INIZCTEOSA-N 1 3 350.507 2.075 20 0 FEADHO COc1cc(C)ccc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664401241 678873631 /nfs/dbraw/zinc/87/36/31/678873631.db2.gz LDHUWTDRKJTUCA-INIZCTEOSA-N 1 3 350.507 2.075 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cncc(Br)c1 ZINC000666447556 679025512 /nfs/dbraw/zinc/02/55/12/679025512.db2.gz CWBRJCNOHUKJHX-LBPRGKRZSA-N 1 3 372.311 2.238 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cncc(Br)c1 ZINC000666447556 679025515 /nfs/dbraw/zinc/02/55/15/679025515.db2.gz CWBRJCNOHUKJHX-LBPRGKRZSA-N 1 3 372.311 2.238 20 0 FEADHO CCCN(CC[NH+](CC)CC)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666977282 679055999 /nfs/dbraw/zinc/05/59/99/679055999.db2.gz ZLAQDIVODCULKM-SFHVURJKSA-N 1 3 354.539 2.003 20 0 FEADHO CC[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834531440 680239173 /nfs/dbraw/zinc/23/91/73/680239173.db2.gz ZFYFKDUDNZRECP-IKGGRYGDSA-N 1 3 355.523 2.211 20 0 FEADHO Cc1cnc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001023993114 680276984 /nfs/dbraw/zinc/27/69/84/680276984.db2.gz ANMJGYNRTXYZPB-OWCLPIDISA-N 1 3 350.532 2.120 20 0 FEADHO Cc1cnc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001023993114 680276987 /nfs/dbraw/zinc/27/69/87/680276987.db2.gz ANMJGYNRTXYZPB-OWCLPIDISA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3nc(C)cs3)CC2)CC[N@@H+]1C ZINC000996603413 680336516 /nfs/dbraw/zinc/33/65/16/680336516.db2.gz LOZQNUBQASOKBM-JKSUJKDBSA-N 1 3 350.532 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3nc(C)cs3)CC2)CC[N@H+]1C ZINC000996603413 680336520 /nfs/dbraw/zinc/33/65/20/680336520.db2.gz LOZQNUBQASOKBM-JKSUJKDBSA-N 1 3 350.532 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2CCc2scnc2C)CC[N@@H+]1C ZINC001027892607 680362771 /nfs/dbraw/zinc/36/27/71/680362771.db2.gz ANVRYYUGVHMOAV-IXDOHACOSA-N 1 3 364.559 2.305 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2CCc2scnc2C)CC[N@H+]1C ZINC001027892607 680362774 /nfs/dbraw/zinc/36/27/74/680362774.db2.gz ANVRYYUGVHMOAV-IXDOHACOSA-N 1 3 364.559 2.305 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3c(C)nsc3C)C2)CC[N@@H+]1C ZINC001028551893 680375852 /nfs/dbraw/zinc/37/58/52/680375852.db2.gz AWOGSERXKMPKOR-XYJFISCASA-N 1 3 364.559 2.428 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3c(C)nsc3C)C2)CC[N@H+]1C ZINC001028551893 680375856 /nfs/dbraw/zinc/37/58/56/680375856.db2.gz AWOGSERXKMPKOR-XYJFISCASA-N 1 3 364.559 2.428 20 0 FEADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC000998792550 680389325 /nfs/dbraw/zinc/38/93/25/680389325.db2.gz YINIDHMVADZSAG-BOSFTKNMSA-N 1 3 351.441 2.384 20 0 FEADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3ccc(F)cc3F)C2)CC[N@H+]1C ZINC000998792550 680389331 /nfs/dbraw/zinc/38/93/31/680389331.db2.gz YINIDHMVADZSAG-BOSFTKNMSA-N 1 3 351.441 2.384 20 0 FEADHO Cc1nsc(C)c1CN(C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001029742319 680391557 /nfs/dbraw/zinc/39/15/57/680391557.db2.gz QTWCEPZFYMGPQN-HYVNUMGLSA-N 1 3 364.559 2.380 20 0 FEADHO Cc1nsc(C)c1CN(C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001029742319 680391558 /nfs/dbraw/zinc/39/15/58/680391558.db2.gz QTWCEPZFYMGPQN-HYVNUMGLSA-N 1 3 364.559 2.380 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCN(CCOC3CCC3)C2)CC[N@@H+]1C ZINC001033839722 680426689 /nfs/dbraw/zinc/42/66/89/680426689.db2.gz USPOSRYIMIDIOT-NZSAHSFTSA-N 1 3 351.535 2.209 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCN(CCOC3CCC3)C2)CC[N@H+]1C ZINC001033839722 680426693 /nfs/dbraw/zinc/42/66/93/680426693.db2.gz USPOSRYIMIDIOT-NZSAHSFTSA-N 1 3 351.535 2.209 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc(Cl)n1 ZINC000841848264 680914739 /nfs/dbraw/zinc/91/47/39/680914739.db2.gz GRWZBXJUWSFVHN-CVEARBPZSA-N 1 3 350.894 2.424 20 0 FEADHO COc1cc(NC(=O)CN(C)C2CCC([NH3+])CC2)c(OC)cc1Cl ZINC000843353823 680999286 /nfs/dbraw/zinc/99/92/86/680999286.db2.gz LXLIIHNJTZFVCZ-UHFFFAOYSA-N 1 3 355.866 2.497 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNCc3sccc3Cl)C2)CC[N@@H+]1C ZINC001051623346 681068208 /nfs/dbraw/zinc/06/82/08/681068208.db2.gz FWRDGHDTFAHLRM-HZSPNIEDSA-N 1 3 371.934 2.059 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNCc3sccc3Cl)C2)CC[N@H+]1C ZINC001051623346 681068211 /nfs/dbraw/zinc/06/82/11/681068211.db2.gz FWRDGHDTFAHLRM-HZSPNIEDSA-N 1 3 371.934 2.059 20 0 FEADHO Cc1ncc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC001052392617 681076597 /nfs/dbraw/zinc/07/65/97/681076597.db2.gz ZJUKSUGAAAPOGA-UKPHBRMFSA-N 1 3 350.532 2.262 20 0 FEADHO Cc1ncc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC001052392617 681076599 /nfs/dbraw/zinc/07/65/99/681076599.db2.gz ZJUKSUGAAAPOGA-UKPHBRMFSA-N 1 3 350.532 2.262 20 0 FEADHO CC[N@H+](C)C[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000846833586 681296446 /nfs/dbraw/zinc/29/64/46/681296446.db2.gz OHWMSYZZYHOOLQ-FCLJQHQZSA-N 1 3 355.523 2.161 20 0 FEADHO CC[N@@H+](C)C[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000846833586 681296449 /nfs/dbraw/zinc/29/64/49/681296449.db2.gz OHWMSYZZYHOOLQ-FCLJQHQZSA-N 1 3 355.523 2.161 20 0 FEADHO CC[N@H+](C)C[C@H](O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000847010863 681320479 /nfs/dbraw/zinc/32/04/79/681320479.db2.gz NESJMQGQEALLSW-CVEARBPZSA-N 1 3 355.523 2.211 20 0 FEADHO CC[N@@H+](C)C[C@H](O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000847010863 681320487 /nfs/dbraw/zinc/32/04/87/681320487.db2.gz NESJMQGQEALLSW-CVEARBPZSA-N 1 3 355.523 2.211 20 0 FEADHO C[C@@H](NC(=S)NC1CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778529691 681620313 /nfs/dbraw/zinc/62/03/13/681620313.db2.gz CSWFSVCPPKUNOM-AEFFLSMTSA-N 1 3 360.571 2.455 20 0 FEADHO C[C@@H](NC(=S)NC1CCN(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778529691 681620314 /nfs/dbraw/zinc/62/03/14/681620314.db2.gz CSWFSVCPPKUNOM-AEFFLSMTSA-N 1 3 360.571 2.455 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1cccc(C(F)(F)F)n1 ZINC000849001901 681647356 /nfs/dbraw/zinc/64/73/56/681647356.db2.gz QBOPBZMMZBSQKV-GFCCVEGCSA-N 1 3 359.396 2.077 20 0 FEADHO C[C@@]1(CN2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)CC[NH2+]C1 ZINC000849352277 681693401 /nfs/dbraw/zinc/69/34/01/681693401.db2.gz KAZVMZRWBJJBMR-NVXWUHKLSA-N 1 3 361.452 2.499 20 0 FEADHO Cc1ncsc1CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000960010261 682020168 /nfs/dbraw/zinc/02/01/68/682020168.db2.gz IBUXUJASOYCWNH-OWCLPIDISA-N 1 3 350.532 2.262 20 0 FEADHO Cc1ncsc1CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000960010261 682020177 /nfs/dbraw/zinc/02/01/77/682020177.db2.gz IBUXUJASOYCWNH-OWCLPIDISA-N 1 3 350.532 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2CC3(CC(NCc4nccs4)C3)C2)CC[N@@H+]1C ZINC000963823707 682148200 /nfs/dbraw/zinc/14/82/00/682148200.db2.gz YXJJECLUFUMOIN-FJGTUQKNSA-N 1 3 362.543 2.390 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2CC3(CC(NCc4nccs4)C3)C2)CC[N@H+]1C ZINC000963823707 682148202 /nfs/dbraw/zinc/14/82/02/682148202.db2.gz YXJJECLUFUMOIN-FJGTUQKNSA-N 1 3 362.543 2.390 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000789392464 682600402 /nfs/dbraw/zinc/60/04/02/682600402.db2.gz FPUXPICDADEGAV-QGZVFWFLSA-N 1 3 366.575 2.350 20 0 FEADHO CC[C@](O)(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cccc(Cl)c1 ZINC000855347231 682660149 /nfs/dbraw/zinc/66/01/49/682660149.db2.gz ZDFDDNOWYNMDSJ-HNAYVOBHSA-N 1 3 369.937 2.326 20 0 FEADHO CC[C@](O)(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cccc(Cl)c1 ZINC000855347231 682660151 /nfs/dbraw/zinc/66/01/51/682660151.db2.gz ZDFDDNOWYNMDSJ-HNAYVOBHSA-N 1 3 369.937 2.326 20 0 FEADHO C[C@@H]1C[N@@H+](CCCCNCc2cn(C)nc2Br)C[C@H](C)O1 ZINC000858140406 682937940 /nfs/dbraw/zinc/93/79/40/682937940.db2.gz DCHNDECZSVUGLV-BETUJISGSA-N 1 3 359.312 2.162 20 0 FEADHO C[C@@H]1C[N@H+](CCCCNCc2cn(C)nc2Br)C[C@H](C)O1 ZINC000858140406 682937943 /nfs/dbraw/zinc/93/79/43/682937943.db2.gz DCHNDECZSVUGLV-BETUJISGSA-N 1 3 359.312 2.162 20 0 FEADHO CCCCCCN(C)CC(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926175610 683089240 /nfs/dbraw/zinc/08/92/40/683089240.db2.gz ZGUCTDVFVWHCDJ-IZBJGVDFSA-N 1 3 353.551 2.094 20 0 FEADHO CCCCCCN(C)CC(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926175610 683089243 /nfs/dbraw/zinc/08/92/43/683089243.db2.gz ZGUCTDVFVWHCDJ-IZBJGVDFSA-N 1 3 353.551 2.094 20 0 FEADHO CCC[NH+]1CCC(NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000926990674 683194988 /nfs/dbraw/zinc/19/49/88/683194988.db2.gz OGPAYICWUZWGCN-LJQANCHMSA-N 1 3 355.523 2.476 20 0 FEADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1CCCCC[NH+]1CCCCC1 ZINC000924621682 684475161 /nfs/dbraw/zinc/47/51/61/684475161.db2.gz DNKSDFVOKHKZJV-QGZVFWFLSA-N 1 3 350.507 2.049 20 0 FEADHO C[C@H]1[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)CCN1C ZINC000925326263 684549722 /nfs/dbraw/zinc/54/97/22/684549722.db2.gz QBBXMYYXQXRVIQ-SUMWQHHRSA-N 1 3 354.445 2.131 20 0 FEADHO CC(C)(C)NS(=O)(=O)C1(CN[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925767212 684583878 /nfs/dbraw/zinc/58/38/78/684583878.db2.gz UPJKBBKDGQWWJM-MRXNPFEDSA-N 1 3 353.532 2.307 20 0 FEADHO CN(C)C[C@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1cccc(C(F)(F)F)c1 ZINC000877129342 686329813 /nfs/dbraw/zinc/32/98/13/686329813.db2.gz BVKPVVHQTMVFIF-AVGNSLFASA-N 1 3 365.346 2.264 20 0 FEADHO CCCCN(CC(=O)NC1CC[NH+](C)CC1)[C@@H]1CCc2ncsc2C1 ZINC000878770620 686655194 /nfs/dbraw/zinc/65/51/94/686655194.db2.gz QXFCAANBXFNTPI-MRXNPFEDSA-N 1 3 364.559 2.313 20 0 FEADHO CC(C)C[C@@H]1CN(C)CCN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000886602193 688282490 /nfs/dbraw/zinc/28/24/90/688282490.db2.gz LXJMCDBADKNYKU-CTWPCTMYSA-N 1 3 351.535 2.066 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC000891674162 689090848 /nfs/dbraw/zinc/09/08/48/689090848.db2.gz WDZGCCWCIQYRFZ-GUYCJALGSA-N 1 3 350.894 2.293 20 0 FEADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC000892610747 689217972 /nfs/dbraw/zinc/21/79/72/689217972.db2.gz NCVZGTNOZCQULX-ROUUACIJSA-N 1 3 352.450 2.350 20 0 FEADHO C[NH+]1CCC(CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)CC1 ZINC000893487166 689355309 /nfs/dbraw/zinc/35/53/09/689355309.db2.gz HMGCOCIKFYMFRF-GOSISDBHSA-N 1 3 351.516 2.235 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)o1 ZINC000897545786 690036986 /nfs/dbraw/zinc/03/69/86/690036986.db2.gz SVORZUNNQVMFSK-KRWDZBQOSA-N 1 3 350.507 2.393 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)o1 ZINC000897545786 690036989 /nfs/dbraw/zinc/03/69/89/690036989.db2.gz SVORZUNNQVMFSK-KRWDZBQOSA-N 1 3 350.507 2.393 20 0 FEADHO [NH3+][C@@H]1CC[C@H](CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1 ZINC000903441551 690894378 /nfs/dbraw/zinc/89/43/78/690894378.db2.gz XRZXCLUSKZRRHE-LSDHHAIUSA-N 1 3 350.894 2.024 20 0 FEADHO Brc1cnccc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505818 690903757 /nfs/dbraw/zinc/90/37/57/690903757.db2.gz IAUPEARLAPPMAI-IYBDPMFKSA-N 1 3 365.319 2.245 20 0 FEADHO Brc1cncc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903507422 690903919 /nfs/dbraw/zinc/90/39/19/690903919.db2.gz ZAWDEGNIIDISBE-CALCHBBNSA-N 1 3 365.319 2.245 20 0 FEADHO Brc1cncc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903507422 690903924 /nfs/dbraw/zinc/90/39/24/690903924.db2.gz ZAWDEGNIIDISBE-CALCHBBNSA-N 1 3 365.319 2.245 20 0 FEADHO Brc1cncc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903507422 690903930 /nfs/dbraw/zinc/90/39/30/690903930.db2.gz ZAWDEGNIIDISBE-CALCHBBNSA-N 1 3 365.319 2.245 20 0 FEADHO O=S(=O)(CCN1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccccc1 ZINC000903767567 690970639 /nfs/dbraw/zinc/97/06/39/690970639.db2.gz HNPILJRUPBQHDS-KRWDZBQOSA-N 1 3 351.516 2.140 20 0 FEADHO COC(=O)COc1c(C)cc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1C ZINC000903955762 690989016 /nfs/dbraw/zinc/98/90/16/690989016.db2.gz BDOVFZFUNBKDDA-HNNXBMFYSA-N 1 3 356.413 2.190 20 0 FEADHO Cc1cc2[nH]ccc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)[nH+]1 ZINC001164741067 720712609 /nfs/dbraw/zinc/71/26/09/720712609.db2.gz SKDPYBPAFCCABB-CABCVRRESA-N 1 3 350.426 2.003 20 0 FEADHO COc1cccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050800136 540414685 /nfs/dbraw/zinc/41/46/85/540414685.db2.gz XWYINBQCXODIQH-UHFFFAOYSA-N 1 3 359.514 2.303 20 0 FEADHO CC[NH+](CC)CCn1c2ccccc2[nH]c1=NC(=O)C1CCN(C)CC1 ZINC000073284938 541939848 /nfs/dbraw/zinc/93/98/48/541939848.db2.gz GVVPWHFTMKYAKE-UHFFFAOYSA-N 1 3 357.502 2.658 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1cccc(F)c1 ZINC000073539601 541963281 /nfs/dbraw/zinc/96/32/81/541963281.db2.gz ALCFUVCEOGOHNV-IBGZPJMESA-N 1 3 364.509 2.426 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1cccc(F)c1 ZINC000073539601 541963283 /nfs/dbraw/zinc/96/32/83/541963283.db2.gz ALCFUVCEOGOHNV-IBGZPJMESA-N 1 3 364.509 2.426 20 0 FEADHO CC[NH+](CC)[C@H]1CCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000074176712 542049193 /nfs/dbraw/zinc/04/91/93/542049193.db2.gz IDSAEMWMNISAFS-NRFANRHFSA-N 1 3 372.557 2.450 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000074191997 542051014 /nfs/dbraw/zinc/05/10/14/542051014.db2.gz MFRZCCSWMSQZTD-UHFFFAOYSA-N 1 3 356.514 2.185 20 0 FEADHO CN(C)[C@H](CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1)c1ccccc1 ZINC000074397788 542080080 /nfs/dbraw/zinc/08/00/80/542080080.db2.gz JIHIIHXBQFDBHT-HXUWFJFHSA-N 1 3 369.513 2.402 20 0 FEADHO CN(C)[C@@H](CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1)c1ccccc1 ZINC000074397787 542080120 /nfs/dbraw/zinc/08/01/20/542080120.db2.gz JIHIIHXBQFDBHT-FQEVSTJZSA-N 1 3 369.513 2.402 20 0 FEADHO Cn1c2ccc(C[NH2+]C3CCN([C@H]4CCC[C@H]4O)CC3)cc2sc1=O ZINC000551231847 674132864 /nfs/dbraw/zinc/13/28/64/674132864.db2.gz HIGFHQVKPWOPDI-DOTOQJQBSA-N 1 3 361.511 2.067 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)C2CCOCC2)CC1 ZINC000088727427 542755656 /nfs/dbraw/zinc/75/56/56/542755656.db2.gz NLDUGNVPJKYDLU-OAQYLSRUSA-N 1 3 361.530 2.096 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000090468742 542785506 /nfs/dbraw/zinc/78/55/06/542785506.db2.gz XULKXLFHEJABDG-LPHOPBHVSA-N 1 3 350.938 2.392 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000090468742 542785510 /nfs/dbraw/zinc/78/55/10/542785510.db2.gz XULKXLFHEJABDG-LPHOPBHVSA-N 1 3 350.938 2.392 20 0 FEADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1cccnc1 ZINC000092821273 542888724 /nfs/dbraw/zinc/88/87/24/542888724.db2.gz CUCRXHUIGUSSMG-UHFFFAOYSA-N 1 3 367.497 2.331 20 0 FEADHO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093360958 542929576 /nfs/dbraw/zinc/92/95/76/542929576.db2.gz JKLBWXYJPJZIGU-GOSISDBHSA-N 1 3 358.530 2.175 20 0 FEADHO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000093360958 542929577 /nfs/dbraw/zinc/92/95/77/542929577.db2.gz JKLBWXYJPJZIGU-GOSISDBHSA-N 1 3 358.530 2.175 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4cc(F)ccc4C3)CC2)CC1 ZINC000093791266 542940304 /nfs/dbraw/zinc/94/03/04/542940304.db2.gz ZTCDPXHNMXVYRN-UHFFFAOYSA-N 1 3 374.504 2.452 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(OC)cc1 ZINC000101602744 543036066 /nfs/dbraw/zinc/03/60/66/543036066.db2.gz AWPADFSFQZIRCU-SFHVURJKSA-N 1 3 362.518 2.253 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(OC)cc1 ZINC000101602744 543036069 /nfs/dbraw/zinc/03/60/69/543036069.db2.gz AWPADFSFQZIRCU-SFHVURJKSA-N 1 3 362.518 2.253 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(-c4ncon4)cc3)CC2)CC1 ZINC000107237804 543263857 /nfs/dbraw/zinc/26/38/57/543263857.db2.gz JCDVFSPZRZWKJT-UHFFFAOYSA-N 1 3 369.469 2.025 20 0 FEADHO CC[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000108552542 543293797 /nfs/dbraw/zinc/29/37/97/543293797.db2.gz RGXRSUQKKQPKPP-XLIONFOSSA-N 1 3 358.530 2.464 20 0 FEADHO CC[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000108552542 543293800 /nfs/dbraw/zinc/29/38/00/543293800.db2.gz RGXRSUQKKQPKPP-XLIONFOSSA-N 1 3 358.530 2.464 20 0 FEADHO CCN1CCN(CCNC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000112917791 543467745 /nfs/dbraw/zinc/46/77/45/543467745.db2.gz DZHDBWBWTBMLJO-UHFFFAOYSA-N 1 3 360.546 2.284 20 0 FEADHO CCN1CCN(CCNC(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)CC1 ZINC000112917791 543467746 /nfs/dbraw/zinc/46/77/46/543467746.db2.gz DZHDBWBWTBMLJO-UHFFFAOYSA-N 1 3 360.546 2.284 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCN2CCC(C)CC2)[C@H](C)C1 ZINC000115797374 543586304 /nfs/dbraw/zinc/58/63/04/543586304.db2.gz FEVHCSVGFJTVIQ-MOPGFXCFSA-N 1 3 368.566 2.155 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCCN2CCC(C)CC2)[C@H](C)C1 ZINC000115797374 543586306 /nfs/dbraw/zinc/58/63/06/543586306.db2.gz FEVHCSVGFJTVIQ-MOPGFXCFSA-N 1 3 368.566 2.155 20 0 FEADHO CN(CCNC(=O)C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)Cc1ccccc1 ZINC000119338011 543666633 /nfs/dbraw/zinc/66/66/33/543666633.db2.gz RJGKEDLQUDGRBV-RTWAWAEBSA-N 1 3 373.541 2.250 20 0 FEADHO CCOc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1OC ZINC000119903750 543673388 /nfs/dbraw/zinc/67/33/88/543673388.db2.gz SHRJZJXTKDEKMD-UHFFFAOYSA-N 1 3 352.479 2.051 20 0 FEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000124268811 543810586 /nfs/dbraw/zinc/81/05/86/543810586.db2.gz ABBOCROPUHZQOU-NRFANRHFSA-N 1 3 372.557 2.315 20 0 FEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000124268811 543810588 /nfs/dbraw/zinc/81/05/88/543810588.db2.gz ABBOCROPUHZQOU-NRFANRHFSA-N 1 3 372.557 2.315 20 0 FEADHO C[C@H](C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1)N1CCCCCC1 ZINC000126722902 543953464 /nfs/dbraw/zinc/95/34/64/543953464.db2.gz ITUJTUXNBKSBTQ-AEFFLSMTSA-N 1 3 363.502 2.191 20 0 FEADHO CCCCOCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127467290 543994755 /nfs/dbraw/zinc/99/47/55/543994755.db2.gz GGWZTTMJJRDUCH-UHFFFAOYSA-N 1 3 354.539 2.051 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000131131854 544177694 /nfs/dbraw/zinc/17/76/94/544177694.db2.gz IMOMNKVNOLJJIC-UHFFFAOYSA-N 1 3 353.551 2.315 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000131131854 544177696 /nfs/dbraw/zinc/17/76/96/544177696.db2.gz IMOMNKVNOLJJIC-UHFFFAOYSA-N 1 3 353.551 2.315 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[N@@H+]3C)c(C)c2)CC1 ZINC000139367436 544401935 /nfs/dbraw/zinc/40/19/35/544401935.db2.gz XDGPDUOOPUENON-SFHVURJKSA-N 1 3 359.518 2.353 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[N@H+]3C)c(C)c2)CC1 ZINC000139367436 544401938 /nfs/dbraw/zinc/40/19/38/544401938.db2.gz XDGPDUOOPUENON-SFHVURJKSA-N 1 3 359.518 2.353 20 0 FEADHO COc1ccc([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1F ZINC000153067342 544729243 /nfs/dbraw/zinc/72/92/43/544729243.db2.gz VHYCYZIAUABKNP-AWEZNQCLSA-N 1 3 354.470 2.030 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000154458668 544909500 /nfs/dbraw/zinc/90/95/00/544909500.db2.gz IORPVBMIPIUDHQ-KRWDZBQOSA-N 1 3 367.559 2.158 20 0 FEADHO C[C@@H](CCNC(=O)C(=O)Nc1cccc(CN(C)C)c1)[NH+]1CCCCC1 ZINC000182151511 327763167 /nfs/dbraw/zinc/76/31/67/327763167.db2.gz HNTQKCACOLLQJM-INIZCTEOSA-N 1 3 360.502 2.067 20 0 FEADHO CCO[C@H]1C[C@@](N)(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1(C)C ZINC000188075377 328064206 /nfs/dbraw/zinc/06/42/06/328064206.db2.gz WWJQAVADNSEIDA-GHTZIAJQSA-N 1 3 359.514 2.084 20 0 FEADHO CCO[C@H]1C[C@@](N)(C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1(C)C ZINC000188075377 328064208 /nfs/dbraw/zinc/06/42/08/328064208.db2.gz WWJQAVADNSEIDA-GHTZIAJQSA-N 1 3 359.514 2.084 20 0 FEADHO C[C@@H]([NH2+]C1(CNC(=O)c2[nH]nc3c2CNCC3)CCCC1)c1ccccc1 ZINC000188768766 328109746 /nfs/dbraw/zinc/10/97/46/328109746.db2.gz ITDGEYNAERFDOG-OAHLLOKOSA-N 1 3 367.497 2.449 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)CC[N@@H+]1C ZINC000091232826 325382222 /nfs/dbraw/zinc/38/22/22/325382222.db2.gz GRKCJWKDKPYYCF-LPHOPBHVSA-N 1 3 359.518 2.422 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)CC[N@H+]1C ZINC000091232826 325382224 /nfs/dbraw/zinc/38/22/24/325382224.db2.gz GRKCJWKDKPYYCF-LPHOPBHVSA-N 1 3 359.518 2.422 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H](C)C[NH+]3CCCCC3)cc2)CC1 ZINC000118769986 326101325 /nfs/dbraw/zinc/10/13/25/326101325.db2.gz CQFDXTKDTOUWCY-GOSISDBHSA-N 1 3 358.530 2.433 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC[C@@H](C)C[NH+]3CCCC3)cc2)CC1 ZINC000118776245 326101753 /nfs/dbraw/zinc/10/17/53/326101753.db2.gz UBMNBUIXHZMMLB-GOSISDBHSA-N 1 3 358.530 2.290 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCCCCC1 ZINC000122053757 326382336 /nfs/dbraw/zinc/38/23/36/326382336.db2.gz PBAIUIAPTGKLBT-QRQLOZEOSA-N 1 3 351.535 2.135 20 0 FEADHO CCC(CC)c1nnc(NC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000131271299 326571580 /nfs/dbraw/zinc/57/15/80/326571580.db2.gz GWINLIGVSKSINX-UHFFFAOYSA-N 1 3 356.540 2.399 20 0 FEADHO CC[N@H+](CCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C1CC1 ZINC000163135725 327043692 /nfs/dbraw/zinc/04/36/92/327043692.db2.gz GUTMUWLMXGCCIG-UHFFFAOYSA-N 1 3 359.514 2.105 20 0 FEADHO CC[N@@H+](CCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C1CC1 ZINC000163135725 327043694 /nfs/dbraw/zinc/04/36/94/327043694.db2.gz GUTMUWLMXGCCIG-UHFFFAOYSA-N 1 3 359.514 2.105 20 0 FEADHO CC1CC[NH+](Cc2ccccc2CNC(=O)CNC[C@H]2CCCO2)CC1 ZINC000164583289 327071891 /nfs/dbraw/zinc/07/18/91/327071891.db2.gz IUXYYSRKNQKQDE-HXUWFJFHSA-N 1 3 359.514 2.303 20 0 FEADHO CCc1nc2c(s1)[C@H]([NH2+]CCCCN1CCN(CCO)CC1)CCC2 ZINC000168925969 327087753 /nfs/dbraw/zinc/08/77/53/327087753.db2.gz LVFWQOQDOJSGFA-MRXNPFEDSA-N 1 3 366.575 2.063 20 0 FEADHO CN1CCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000171191927 327123634 /nfs/dbraw/zinc/12/36/34/327123634.db2.gz PWGQESHPVMFNGA-INIZCTEOSA-N 1 3 350.532 2.354 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000171613371 327148326 /nfs/dbraw/zinc/14/83/26/327148326.db2.gz OAWCBAPVYATZSF-LJQANCHMSA-N 1 3 374.529 2.397 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000171613256 327148478 /nfs/dbraw/zinc/14/84/78/327148478.db2.gz CEHQXSXAEJCSMF-LJQANCHMSA-N 1 3 374.529 2.397 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NCC2(N3CCSCC3)CCCC2)CC[N@@H+]1C ZINC000174015839 327301592 /nfs/dbraw/zinc/30/15/92/327301592.db2.gz QUUYQKMFFISRTQ-IAGOWNOFSA-N 1 3 368.591 2.472 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NCC2(N3CCSCC3)CCCC2)CC[N@H+]1C ZINC000174015839 327301593 /nfs/dbraw/zinc/30/15/93/327301593.db2.gz QUUYQKMFFISRTQ-IAGOWNOFSA-N 1 3 368.591 2.472 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174192767 327311744 /nfs/dbraw/zinc/31/17/44/327311744.db2.gz CAPAHHUHUWZSQF-WOJBJXKFSA-N 1 3 358.530 2.287 20 0 FEADHO C[C@@H](C(=O)Nc1cccc2ncccc21)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174712422 327344965 /nfs/dbraw/zinc/34/49/65/327344965.db2.gz NEWDGPLOFNFPIQ-KRWDZBQOSA-N 1 3 369.513 2.131 20 0 FEADHO CSc1cccc(NC(=O)[C@@H](C)N(C)CCC[NH+]2CCN(C)CC2)c1 ZINC000174726441 327346027 /nfs/dbraw/zinc/34/60/27/327346027.db2.gz VPQFCWUDJNUZOU-MRXNPFEDSA-N 1 3 364.559 2.305 20 0 FEADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000175406770 327391284 /nfs/dbraw/zinc/39/12/84/327391284.db2.gz KEHDNSUZTAKLRS-SFHVURJKSA-N 1 3 362.518 2.253 20 0 FEADHO C[C@H](NCc1cccnc1-n1cncn1)c1cccc(OCC[NH+](C)C)c1 ZINC000178051158 327561985 /nfs/dbraw/zinc/56/19/85/327561985.db2.gz VIWVODNTHXRJEG-INIZCTEOSA-N 1 3 366.469 2.454 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262842444 328893958 /nfs/dbraw/zinc/89/39/58/328893958.db2.gz UCVOXMLURVAQPZ-GOSISDBHSA-N 1 3 373.476 2.151 20 0 FEADHO CN(C)[C@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000264219143 329001303 /nfs/dbraw/zinc/00/13/03/329001303.db2.gz BMQNENXCJQXJAI-LJQANCHMSA-N 1 3 374.529 2.234 20 0 FEADHO CC[NH+]1CCN(CCC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000264256489 329005217 /nfs/dbraw/zinc/00/52/17/329005217.db2.gz GTLKTAAZKPHOFC-UHFFFAOYSA-N 1 3 372.557 2.137 20 0 FEADHO CN(CCCN1CCN(C)CC1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000264751801 329056651 /nfs/dbraw/zinc/05/66/51/329056651.db2.gz LSYYEOVLORWGHH-UHFFFAOYSA-N 1 3 372.557 2.382 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCN(C)C1CC1 ZINC000264787641 329060926 /nfs/dbraw/zinc/06/09/26/329060926.db2.gz CKJKFHVXLFHKBT-IBGZPJMESA-N 1 3 359.518 2.172 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCN(C)C1CC1 ZINC000264787641 329060928 /nfs/dbraw/zinc/06/09/28/329060928.db2.gz CKJKFHVXLFHKBT-IBGZPJMESA-N 1 3 359.518 2.172 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000267224039 329304192 /nfs/dbraw/zinc/30/41/92/329304192.db2.gz BABXDQGAWXVYIT-KRWDZBQOSA-N 1 3 358.530 2.069 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000267224039 329304193 /nfs/dbraw/zinc/30/41/93/329304193.db2.gz BABXDQGAWXVYIT-KRWDZBQOSA-N 1 3 358.530 2.069 20 0 FEADHO c1c[nH]c([C@@H]2CCCN(CCOCC[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)C2)n1 ZINC000267429197 329326353 /nfs/dbraw/zinc/32/63/53/329326353.db2.gz MESLJRFYJVIZQO-QZTJIDSGSA-N 1 3 372.517 2.208 20 0 FEADHO c1c[nH]c([C@@H]2CCCN(CCOCC[N@H+]3CCC[C@@H](c4ncc[nH]4)C3)C2)n1 ZINC000267429197 329326354 /nfs/dbraw/zinc/32/63/54/329326354.db2.gz MESLJRFYJVIZQO-QZTJIDSGSA-N 1 3 372.517 2.208 20 0 FEADHO C[NH+]1CCC(C)(CNC(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000272526219 329788308 /nfs/dbraw/zinc/78/83/08/329788308.db2.gz AIIIDXZQYUTJME-UHFFFAOYSA-N 1 3 359.518 2.329 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000367195112 330228233 /nfs/dbraw/zinc/22/82/33/330228233.db2.gz GKWSYLPYIRVJJL-MHTWAQMVSA-N 1 3 371.525 2.026 20 0 FEADHO COc1ccc(C[C@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)cn1 ZINC000414060931 330258994 /nfs/dbraw/zinc/25/89/94/330258994.db2.gz AIUHPSIHEXTMPO-SFHVURJKSA-N 1 3 369.513 2.218 20 0 FEADHO CC(C)(CNC(=O)CCCN1CCC([NH3+])CC1)N1CCc2ccccc2C1 ZINC000433137312 330272415 /nfs/dbraw/zinc/27/24/15/330272415.db2.gz SRCONYNWASNTFX-UHFFFAOYSA-N 1 3 372.557 2.143 20 0 FEADHO CC(C)[C@@H](C[NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000433153870 330273578 /nfs/dbraw/zinc/27/35/78/330273578.db2.gz QWQZAJAVUZJFSC-GOSISDBHSA-N 1 3 351.466 2.016 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000155613323 545549045 /nfs/dbraw/zinc/54/90/45/545549045.db2.gz WXRVMKPJHQRIHV-FQEVSTJZSA-N 1 3 358.574 2.309 20 0 FEADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000477854436 561154748 /nfs/dbraw/zinc/15/47/48/561154748.db2.gz BJJPURCWMVYVPN-QGZVFWFLSA-N 1 3 374.529 2.110 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000478541563 561169165 /nfs/dbraw/zinc/16/91/65/561169165.db2.gz JTXXDWDOHOJGDT-OAQYLSRUSA-N 1 3 372.557 2.103 20 0 FEADHO C[NH+](C)CCOc1ccc(CNC(=O)[C@H](CN)c2ccc(F)cc2)cc1 ZINC000479191475 561183972 /nfs/dbraw/zinc/18/39/72/561183972.db2.gz SMMNJXYRSODXEA-LJQANCHMSA-N 1 3 359.445 2.125 20 0 FEADHO C[NH+](C)CCOc1cccc(CNC(=O)[C@@H](CN)c2ccc(F)cc2)c1 ZINC000479198501 561184187 /nfs/dbraw/zinc/18/41/87/561184187.db2.gz XKPLNBZNAZMMKG-IBGZPJMESA-N 1 3 359.445 2.125 20 0 FEADHO C[NH+](C)CCOc1cccc(CNC(=O)[C@H](CN)c2ccc(F)cc2)c1 ZINC000479198502 561184263 /nfs/dbraw/zinc/18/42/63/561184263.db2.gz XKPLNBZNAZMMKG-LJQANCHMSA-N 1 3 359.445 2.125 20 0 FEADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000479316817 561187233 /nfs/dbraw/zinc/18/72/33/561187233.db2.gz RHCVJDWXYKVYMZ-CRAIPNDOSA-N 1 3 350.507 2.327 20 0 FEADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000479356819 561188064 /nfs/dbraw/zinc/18/80/64/561188064.db2.gz GHYPEWDJJPIYKM-GJZGRUSLSA-N 1 3 351.516 2.086 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000176139509 546412643 /nfs/dbraw/zinc/41/26/43/546412643.db2.gz UKGFWDJDMVFBOZ-UHFFFAOYSA-N 1 3 356.555 2.294 20 0 FEADHO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177383934 546606260 /nfs/dbraw/zinc/60/62/60/546606260.db2.gz BDABBFYPANBNFT-RTBURBONSA-N 1 3 374.573 2.253 20 0 FEADHO CN(C)[C@@]1(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)CCSC1 ZINC000481244146 561228800 /nfs/dbraw/zinc/22/88/00/561228800.db2.gz YRKNVCFMWVJZEQ-LJQANCHMSA-N 1 3 364.559 2.245 20 0 FEADHO CN(C)[C@@]1(CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)CCSC1 ZINC000481244146 561228801 /nfs/dbraw/zinc/22/88/01/561228801.db2.gz YRKNVCFMWVJZEQ-LJQANCHMSA-N 1 3 364.559 2.245 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1nc(C)sc1C ZINC000481290740 561229859 /nfs/dbraw/zinc/22/98/59/561229859.db2.gz JYVRKUWCJZFOGU-INIZCTEOSA-N 1 3 352.548 2.177 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1nc(C)sc1C ZINC000481290740 561229860 /nfs/dbraw/zinc/22/98/60/561229860.db2.gz JYVRKUWCJZFOGU-INIZCTEOSA-N 1 3 352.548 2.177 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000178013242 546722818 /nfs/dbraw/zinc/72/28/18/546722818.db2.gz NFVGYIBYULOSBO-RTBURBONSA-N 1 3 374.529 2.456 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000181895236 547400427 /nfs/dbraw/zinc/40/04/27/547400427.db2.gz KALIMNRSWRNXGJ-GOSISDBHSA-N 1 3 368.566 2.440 20 0 FEADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000182488015 547502132 /nfs/dbraw/zinc/50/21/32/547502132.db2.gz OAPHKFPMSPZDGW-QZTJIDSGSA-N 1 3 354.516 2.072 20 0 FEADHO C[C@H](NC(=O)c1ccnc(OCCN(C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182822489 547557619 /nfs/dbraw/zinc/55/76/19/547557619.db2.gz JCVYXZHRROQPAM-FUHWJXTLSA-N 1 3 374.529 2.405 20 0 FEADHO C[C@H](NC(=O)c1ccnc(OCCN(C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182822489 547557621 /nfs/dbraw/zinc/55/76/21/547557621.db2.gz JCVYXZHRROQPAM-FUHWJXTLSA-N 1 3 374.529 2.405 20 0 FEADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000484313080 561296124 /nfs/dbraw/zinc/29/61/24/561296124.db2.gz TVZDDZHPVDCXDZ-WMLDXEAASA-N 1 3 357.520 2.066 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000183412514 547653979 /nfs/dbraw/zinc/65/39/79/547653979.db2.gz VDHHMOKGWJXSPG-CABCVRRESA-N 1 3 359.470 2.264 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000183412514 547653985 /nfs/dbraw/zinc/65/39/85/547653985.db2.gz VDHHMOKGWJXSPG-CABCVRRESA-N 1 3 359.470 2.264 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC1CCOCC1 ZINC000184741497 547872720 /nfs/dbraw/zinc/87/27/20/547872720.db2.gz KNIPTZBGYMJQEI-IAGOWNOFSA-N 1 3 359.514 2.028 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000185585408 548004990 /nfs/dbraw/zinc/00/49/90/548004990.db2.gz VYGNMDUGMPZCGH-MRXNPFEDSA-N 1 3 359.518 2.343 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000185585408 548004995 /nfs/dbraw/zinc/00/49/95/548004995.db2.gz VYGNMDUGMPZCGH-MRXNPFEDSA-N 1 3 359.518 2.343 20 0 FEADHO CN(C)CCn1ncc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1-c1ccccc1 ZINC000485694621 561325980 /nfs/dbraw/zinc/32/59/80/561325980.db2.gz VZVUDAUNPNMFCO-LJQANCHMSA-N 1 3 369.513 2.182 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C12CCOCC2 ZINC000186291250 548113760 /nfs/dbraw/zinc/11/37/60/548113760.db2.gz MKEAJNUPRMAJLA-ZSYWTGECSA-N 1 3 354.535 2.440 20 0 FEADHO CCN1CC[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)[C@H](C)C1 ZINC000186704242 548177054 /nfs/dbraw/zinc/17/70/54/548177054.db2.gz ZSTIPMWPENBWLI-RHSMWYFYSA-N 1 3 369.506 2.186 20 0 FEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc2cccnc2s1 ZINC000193921964 548405391 /nfs/dbraw/zinc/40/53/91/548405391.db2.gz YDNHWKRQIWXYBE-CQSZACIVSA-N 1 3 361.515 2.179 20 0 FEADHO CN(C)c1cccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000194207619 548449129 /nfs/dbraw/zinc/44/91/29/548449129.db2.gz ZWBXALKNXAEMSD-UHFFFAOYSA-N 1 3 372.557 2.360 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000194236503 548453625 /nfs/dbraw/zinc/45/36/25/548453625.db2.gz VLSZFPONYJSIDG-NZSAHSFTSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000194236503 548453629 /nfs/dbraw/zinc/45/36/29/548453629.db2.gz VLSZFPONYJSIDG-NZSAHSFTSA-N 1 3 356.514 2.433 20 0 FEADHO CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1csc(CC[NH3+])n1 ZINC000194835829 548539181 /nfs/dbraw/zinc/53/91/81/548539181.db2.gz LQGYSNZOHINKRC-INIZCTEOSA-N 1 3 358.511 2.238 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(F)cc1 ZINC000195118773 548579715 /nfs/dbraw/zinc/57/97/15/548579715.db2.gz KQFSOMCHQASTQO-SFHVURJKSA-N 1 3 350.482 2.383 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(F)cc1 ZINC000195118773 548579717 /nfs/dbraw/zinc/57/97/17/548579717.db2.gz KQFSOMCHQASTQO-SFHVURJKSA-N 1 3 350.482 2.383 20 0 FEADHO CCC[C@@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000236935581 548788948 /nfs/dbraw/zinc/78/89/48/548788948.db2.gz ICTDHFFBIORFJS-QGZVFWFLSA-N 1 3 353.894 2.427 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)C[C@H]3CSCC[NH2+]3)c(C)c2)CC1 ZINC000237009768 548793739 /nfs/dbraw/zinc/79/37/39/548793739.db2.gz WIWCQGAXEALDDQ-INIZCTEOSA-N 1 3 362.543 2.171 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)c1 ZINC000237616864 548839954 /nfs/dbraw/zinc/83/99/54/548839954.db2.gz YNDMFNHMPJQYES-AZUAARDMSA-N 1 3 358.530 2.093 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@@]3(CCN(C)C3)C2)C1 ZINC000488076350 561383016 /nfs/dbraw/zinc/38/30/16/561383016.db2.gz PVNWRCJYFJKFNI-MBOZVWFJSA-N 1 3 350.551 2.480 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)C1 ZINC000245904340 549016270 /nfs/dbraw/zinc/01/62/70/549016270.db2.gz FCYVYUGVOBWQGS-QRVBRYPASA-N 1 3 350.551 2.480 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)C1 ZINC000245904340 549016272 /nfs/dbraw/zinc/01/62/72/549016272.db2.gz FCYVYUGVOBWQGS-QRVBRYPASA-N 1 3 350.551 2.480 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000246042162 549041099 /nfs/dbraw/zinc/04/10/99/549041099.db2.gz XGDAMXQPOFQPTG-IRXDYDNUSA-N 1 3 368.566 2.390 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000246042162 549041100 /nfs/dbraw/zinc/04/11/00/549041100.db2.gz XGDAMXQPOFQPTG-IRXDYDNUSA-N 1 3 368.566 2.390 20 0 FEADHO CCC(CC)(CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)OC ZINC000488504785 561390954 /nfs/dbraw/zinc/39/09/54/561390954.db2.gz QMMKJCWTTDOTNJ-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)CC1 ZINC000488616167 561393113 /nfs/dbraw/zinc/39/31/13/561393113.db2.gz CRPKBUPVUWAEMF-QGZVFWFLSA-N 1 3 366.550 2.003 20 0 FEADHO CCNC(=O)COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1OC ZINC000246870393 549232857 /nfs/dbraw/zinc/23/28/57/549232857.db2.gz DJBHXKVYURMCHS-BFYDXBDKSA-N 1 3 363.502 2.028 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246919515 549241818 /nfs/dbraw/zinc/24/18/18/549241818.db2.gz MXGIBHOZGSSRHS-SLFFLAALSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246919515 549241820 /nfs/dbraw/zinc/24/18/20/549241820.db2.gz MXGIBHOZGSSRHS-SLFFLAALSA-N 1 3 358.530 2.285 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CN2CCCCC2)[C@H](C)C1 ZINC000247311809 549315710 /nfs/dbraw/zinc/31/57/10/549315710.db2.gz VZIOTHDJXOWLTN-QRVBRYPASA-N 1 3 368.566 2.297 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)CN2CCCCC2)[C@H](C)C1 ZINC000247311809 549315714 /nfs/dbraw/zinc/31/57/14/549315714.db2.gz VZIOTHDJXOWLTN-QRVBRYPASA-N 1 3 368.566 2.297 20 0 FEADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccn[nH]1 ZINC000248394255 549426775 /nfs/dbraw/zinc/42/67/75/549426775.db2.gz FJZVCSITAVZZPH-IPMKNSEASA-N 1 3 367.497 2.030 20 0 FEADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccn[nH]1 ZINC000248394255 549426779 /nfs/dbraw/zinc/42/67/79/549426779.db2.gz FJZVCSITAVZZPH-IPMKNSEASA-N 1 3 367.497 2.030 20 0 FEADHO C[C@H](C(=O)NCc1ccccc1CN1CC[C@H](O)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000248434691 549436207 /nfs/dbraw/zinc/43/62/07/549436207.db2.gz REYDBUDATIROJF-YZLZLFLDSA-N 1 3 359.514 2.131 20 0 FEADHO C[C@H](C(=O)NCc1ccccc1CN1CC[C@H](O)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000248434691 549436209 /nfs/dbraw/zinc/43/62/09/549436209.db2.gz REYDBUDATIROJF-YZLZLFLDSA-N 1 3 359.514 2.131 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000248707560 549487919 /nfs/dbraw/zinc/48/79/19/549487919.db2.gz AYTNONGOWNQTMJ-YZGWKJHDSA-N 1 3 354.498 2.163 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000248707560 549487922 /nfs/dbraw/zinc/48/79/22/549487922.db2.gz AYTNONGOWNQTMJ-YZGWKJHDSA-N 1 3 354.498 2.163 20 0 FEADHO CN(C)C1(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)Cc2ccccc2C1 ZINC000489625334 561415872 /nfs/dbraw/zinc/41/58/72/561415872.db2.gz ZDCUNOUIWNPYTC-RBUKOAKNSA-N 1 3 358.530 2.258 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000249274712 549575180 /nfs/dbraw/zinc/57/51/80/549575180.db2.gz COYRIZFYXGVMOP-RTWAWAEBSA-N 1 3 372.557 2.356 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)N2CCC(C)CC2)[C@@H](C)C1 ZINC000249442502 549592610 /nfs/dbraw/zinc/59/26/10/549592610.db2.gz MNCCTICJJFKMFW-FHWLQOOXSA-N 1 3 353.551 2.360 20 0 FEADHO C[C@H]1C[C@H]1N1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@@H](C)C1 ZINC000489757679 561418438 /nfs/dbraw/zinc/41/84/38/561418438.db2.gz UKTCJSJWCDXZDO-BAJPUEBJSA-N 1 3 350.551 2.479 20 0 FEADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261801699 549756994 /nfs/dbraw/zinc/75/69/94/549756994.db2.gz HABBYUQIIIJNFG-QYZOEREBSA-N 1 3 359.514 2.082 20 0 FEADHO Cc1cc(NC(=O)[C@@H](N)C2CCOCC2)ccc1OCC[NH+]1CCCC1 ZINC000261838181 549761776 /nfs/dbraw/zinc/76/17/76/549761776.db2.gz QKWQLYLMVPEVOO-IBGZPJMESA-N 1 3 361.486 2.162 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000261917046 549769388 /nfs/dbraw/zinc/76/93/88/549769388.db2.gz XDWGVXZWJHPEEH-KRWDZBQOSA-N 1 3 359.514 2.413 20 0 FEADHO Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262130878 549791182 /nfs/dbraw/zinc/79/11/82/549791182.db2.gz NUFXSWYQHSXGMH-HXUWFJFHSA-N 1 3 353.514 2.028 20 0 FEADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)C1(COC)CC[NH2+]CC1 ZINC000262331454 549811923 /nfs/dbraw/zinc/81/19/23/549811923.db2.gz FMZNKBGWKZYKDG-FQEVSTJZSA-N 1 3 373.541 2.373 20 0 FEADHO C[C@@H]1CN(C(=O)NCCCN2CCCO[C@H](C)C2)CC[N@@H+](C2CCC2)C1 ZINC000490378564 561432080 /nfs/dbraw/zinc/43/20/80/561432080.db2.gz TUOFNFFBIOYYNI-ZWKOTPCHSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H]1CN(C(=O)NCCCN2CCCO[C@H](C)C2)CC[N@H+](C2CCC2)C1 ZINC000490378564 561432081 /nfs/dbraw/zinc/43/20/81/561432081.db2.gz TUOFNFFBIOYYNI-ZWKOTPCHSA-N 1 3 366.550 2.003 20 0 FEADHO CC(C)C[C@H](N)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000262697539 549840106 /nfs/dbraw/zinc/84/01/06/549840106.db2.gz FHFQLCLCKQVEMT-KRWDZBQOSA-N 1 3 361.490 2.214 20 0 FEADHO O=C(NC1CCN(Cc2ccccc2)CC1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262735931 549844479 /nfs/dbraw/zinc/84/44/79/549844479.db2.gz ISAFEBCHBMYNCN-IBGZPJMESA-N 1 3 367.497 2.202 20 0 FEADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000263184979 549884199 /nfs/dbraw/zinc/88/41/99/549884199.db2.gz HFDIXQZHNPGAAU-BLIXFSHQSA-N 1 3 372.513 2.230 20 0 FEADHO C[C@@H](CC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000263238606 549888226 /nfs/dbraw/zinc/88/82/26/549888226.db2.gz FMUAXBGKIYPQDU-XFKSJGNHSA-N 1 3 365.562 2.360 20 0 FEADHO CC[N@H+](CCNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1)C(C)C ZINC000490715299 561437639 /nfs/dbraw/zinc/43/76/39/561437639.db2.gz CWFOQGYFHLFREG-GOSISDBHSA-N 1 3 350.507 2.327 20 0 FEADHO CC[N@@H+](CCNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1)C(C)C ZINC000490715299 561437640 /nfs/dbraw/zinc/43/76/40/561437640.db2.gz CWFOQGYFHLFREG-GOSISDBHSA-N 1 3 350.507 2.327 20 0 FEADHO CC(C)N1CCCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000263967150 549961708 /nfs/dbraw/zinc/96/17/08/549961708.db2.gz URDAPLJTFUUJQB-UHFFFAOYSA-N 1 3 362.518 2.253 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000264127284 549982023 /nfs/dbraw/zinc/98/20/23/549982023.db2.gz OPYNYISVRBGPSK-UXHICEINSA-N 1 3 374.529 2.096 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000264127284 549982025 /nfs/dbraw/zinc/98/20/25/549982025.db2.gz OPYNYISVRBGPSK-UXHICEINSA-N 1 3 374.529 2.096 20 0 FEADHO O[C@@H](CNC1CCN(Cc2c(F)cccc2Cl)CC1)C[NH+]1CCCC1 ZINC000268853578 550123593 /nfs/dbraw/zinc/12/35/93/550123593.db2.gz QHPPFDUDORNEQS-INIZCTEOSA-N 1 3 369.912 2.490 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C[C@H]2CNCCO2)C1 ZINC000269230914 550169968 /nfs/dbraw/zinc/16/99/68/550169968.db2.gz IPPXFFLMDMCFST-HLIPFELVSA-N 1 3 359.514 2.159 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000271609558 550389769 /nfs/dbraw/zinc/38/97/69/550389769.db2.gz ZSNCLBNSZPYEFZ-MOPGFXCFSA-N 1 3 357.502 2.224 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000271609558 550389772 /nfs/dbraw/zinc/38/97/72/550389772.db2.gz ZSNCLBNSZPYEFZ-MOPGFXCFSA-N 1 3 357.502 2.224 20 0 FEADHO CN1CC=C(CNC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000272062937 550419961 /nfs/dbraw/zinc/41/99/61/550419961.db2.gz IETCTQCYPHHLBX-UHFFFAOYSA-N 1 3 360.502 2.078 20 0 FEADHO CN1CCN(C)[C@H](CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000272725514 550467247 /nfs/dbraw/zinc/46/72/47/550467247.db2.gz YOAXYURJBKSXSI-YUMYIRISSA-N 1 3 356.558 2.123 20 0 FEADHO CN1CCN(C)[C@H](CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000272725514 550467249 /nfs/dbraw/zinc/46/72/49/550467249.db2.gz YOAXYURJBKSXSI-YUMYIRISSA-N 1 3 356.558 2.123 20 0 FEADHO CN1CCN(C)[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000272725514 550467250 /nfs/dbraw/zinc/46/72/50/550467250.db2.gz YOAXYURJBKSXSI-YUMYIRISSA-N 1 3 356.558 2.123 20 0 FEADHO C[C@@H](NC(=O)NCc1ccccc1OCC[NH+](C)C)C1=CCN(C)CC1 ZINC000272758122 550469370 /nfs/dbraw/zinc/46/93/70/550469370.db2.gz OHAQCGSHWWMTOO-MRXNPFEDSA-N 1 3 360.502 2.077 20 0 FEADHO C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000274463722 550539009 /nfs/dbraw/zinc/53/90/09/550539009.db2.gz KHXULACKYQVICS-LJQANCHMSA-N 1 3 372.557 2.428 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000494656558 561473645 /nfs/dbraw/zinc/47/36/45/561473645.db2.gz VVOSOWGMZAHNII-SCTDSRPQSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000494686004 561474245 /nfs/dbraw/zinc/47/42/45/561474245.db2.gz AEGOXJZRZVTHJA-RCCFBDPRSA-N 1 3 366.550 2.144 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000494686004 561474246 /nfs/dbraw/zinc/47/42/46/561474246.db2.gz AEGOXJZRZVTHJA-RCCFBDPRSA-N 1 3 366.550 2.144 20 0 FEADHO C[NH+](C)CCn1ncc(C(=O)NCCN2CCCCC2)c1-c1ccccc1 ZINC000277277047 550650879 /nfs/dbraw/zinc/65/08/79/550650879.db2.gz BVHRJNXZARJWAK-UHFFFAOYSA-N 1 3 369.513 2.327 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000278057207 550744002 /nfs/dbraw/zinc/74/40/02/550744002.db2.gz YMLBLCGFFXQZKY-FUHIMQAGSA-N 1 3 359.514 2.170 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278997758 550844808 /nfs/dbraw/zinc/84/48/08/550844808.db2.gz LYHBROGFPKGPHP-GJZGRUSLSA-N 1 3 373.526 2.190 20 0 FEADHO CN1CCC(Nc2ccccc2NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000279114806 550855525 /nfs/dbraw/zinc/85/55/25/550855525.db2.gz YYZNLFBRDQJDEP-AWEZNQCLSA-N 1 3 368.485 2.245 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000279475783 550894512 /nfs/dbraw/zinc/89/45/12/550894512.db2.gz KIWBPRWSKOTAON-KRWDZBQOSA-N 1 3 374.529 2.143 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)C1 ZINC000497371738 561499495 /nfs/dbraw/zinc/49/94/95/561499495.db2.gz RDZCNQGQOFVWOT-XWTMOSNGSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)C1 ZINC000497371738 561499496 /nfs/dbraw/zinc/49/94/96/561499496.db2.gz RDZCNQGQOFVWOT-XWTMOSNGSA-N 1 3 350.551 2.479 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)CC1 ZINC000498369455 561523510 /nfs/dbraw/zinc/52/35/10/561523510.db2.gz PLUSYPFYYNNQIL-RBUKOAKNSA-N 1 3 358.530 2.223 20 0 FEADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccccc1-n1ccnn1 ZINC000285961645 551832143 /nfs/dbraw/zinc/83/21/43/551832143.db2.gz FNGKMYNMUOTNBF-INIZCTEOSA-N 1 3 366.469 2.454 20 0 FEADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000286169938 551856914 /nfs/dbraw/zinc/85/69/14/551856914.db2.gz QIORVNIEIBUJOG-KRWDZBQOSA-N 1 3 355.486 2.023 20 0 FEADHO CN(CCCN(C)C(=O)c1ccnc(OCC[NH+](C)C)c1)Cc1ccco1 ZINC000286635211 551909086 /nfs/dbraw/zinc/90/90/86/551909086.db2.gz MPXCMUDFRUPXOU-UHFFFAOYSA-N 1 3 374.485 2.209 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000286954055 551944386 /nfs/dbraw/zinc/94/43/86/551944386.db2.gz CYBUHSGYKUZQRX-LJQANCHMSA-N 1 3 362.518 2.470 20 0 FEADHO C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)[C@H](c1ccccc1)N(C)C ZINC000287237243 551979737 /nfs/dbraw/zinc/97/97/37/551979737.db2.gz AVBJIIUSOSMTNH-FUHWJXTLSA-N 1 3 362.518 2.088 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000499803969 561558929 /nfs/dbraw/zinc/55/89/29/561558929.db2.gz UAXWYZBDIFYTCX-SFHVURJKSA-N 1 3 366.550 2.003 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000499803969 561558930 /nfs/dbraw/zinc/55/89/30/561558930.db2.gz UAXWYZBDIFYTCX-SFHVURJKSA-N 1 3 366.550 2.003 20 0 FEADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000289463952 552325886 /nfs/dbraw/zinc/32/58/86/552325886.db2.gz AEEHXZNPZHVPNZ-UXHICEINSA-N 1 3 359.514 2.412 20 0 FEADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(C(C)(C)O)cc2)cc1 ZINC000295319375 552986646 /nfs/dbraw/zinc/98/66/46/552986646.db2.gz GPEISVRMOQUKNI-UHFFFAOYSA-N 1 3 369.509 2.495 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000296181528 553118111 /nfs/dbraw/zinc/11/81/11/553118111.db2.gz CFHHEXQKNWQSMC-UHFFFAOYSA-N 1 3 374.529 2.443 20 0 FEADHO C[C@@H]1CN(c2ccccc2CN(C)CCN(C)C2CC[NH+](C)CC2)CCO1 ZINC000297561909 553309119 /nfs/dbraw/zinc/30/91/19/553309119.db2.gz BDLRWGOUTKWSEM-LJQANCHMSA-N 1 3 374.573 2.370 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCC(=O)NC1CCN(C2CC2)CC1 ZINC000503225543 561637233 /nfs/dbraw/zinc/63/72/33/561637233.db2.gz YUAXEDFVQARQBF-FXAWDEMLSA-N 1 3 364.578 2.220 20 0 FEADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000503243368 561637714 /nfs/dbraw/zinc/63/77/14/561637714.db2.gz CQZLSLVBWKIHBO-IBGZPJMESA-N 1 3 352.567 2.170 20 0 FEADHO CCOc1ccccc1NC(=O)CC[N@H+](C)CCCN(C)CCN(C)C ZINC000298635057 553452177 /nfs/dbraw/zinc/45/21/77/553452177.db2.gz WGRHIGQNQRKVPS-UHFFFAOYSA-N 1 3 364.534 2.229 20 0 FEADHO CCOc1ccccc1NC(=O)CC[N@@H+](C)CCCN(C)CCN(C)C ZINC000298635057 553452179 /nfs/dbraw/zinc/45/21/79/553452179.db2.gz WGRHIGQNQRKVPS-UHFFFAOYSA-N 1 3 364.534 2.229 20 0 FEADHO COc1cccc([C@H](CNC(=O)N2CCC[N@H+](C)CC2)N2CCCC2)c1 ZINC000298649243 553454082 /nfs/dbraw/zinc/45/40/82/553454082.db2.gz LDCCSHOTXWPUJP-IBGZPJMESA-N 1 3 360.502 2.179 20 0 FEADHO COc1cccc([C@H](CNC(=O)N2CCC[N@@H+](C)CC2)N2CCCC2)c1 ZINC000298649243 553454083 /nfs/dbraw/zinc/45/40/83/553454083.db2.gz LDCCSHOTXWPUJP-IBGZPJMESA-N 1 3 360.502 2.179 20 0 FEADHO CN(C)C(C)(C)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000298955743 553495034 /nfs/dbraw/zinc/49/50/34/553495034.db2.gz SZJWVHORUYLCCX-UHFFFAOYSA-N 1 3 374.529 2.110 20 0 FEADHO CN1CCN(CC2(C)CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000504765302 561661978 /nfs/dbraw/zinc/66/19/78/561661978.db2.gz NSVOXSZGPRUDCS-IBGZPJMESA-N 1 3 364.578 2.127 20 0 FEADHO CN1CCN(CC2(C)CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000504765302 561661979 /nfs/dbraw/zinc/66/19/79/561661979.db2.gz NSVOXSZGPRUDCS-IBGZPJMESA-N 1 3 364.578 2.127 20 0 FEADHO CCN1CCN(c2ccccc2C[NH+]2CCC(NC(=O)C3CC3)CC2)CC1 ZINC000506669345 561705379 /nfs/dbraw/zinc/70/53/79/561705379.db2.gz OYQQZEBOLGGCLT-UHFFFAOYSA-N 1 3 370.541 2.319 20 0 FEADHO CCCN(C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507270570 561723149 /nfs/dbraw/zinc/72/31/49/561723149.db2.gz RLNQNGBTOXZLRZ-FQEVSTJZSA-N 1 3 373.541 2.373 20 0 FEADHO CCCN(C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507270570 561723151 /nfs/dbraw/zinc/72/31/51/561723151.db2.gz RLNQNGBTOXZLRZ-FQEVSTJZSA-N 1 3 373.541 2.373 20 0 FEADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1ccc([O-])cc1Cl ZINC000509142037 561786594 /nfs/dbraw/zinc/78/65/94/561786594.db2.gz VHFVSDSIRGJAEJ-UHFFFAOYSA-N 1 3 355.910 2.320 20 0 FEADHO CC[NH+]1CCN(c2ccc(NC(=O)N3CCNC(C)(C)C3)c(C)c2)CC1 ZINC000333101643 554572322 /nfs/dbraw/zinc/57/23/22/554572322.db2.gz DXNAJHQKFQSSEA-UHFFFAOYSA-N 1 3 359.518 2.353 20 0 FEADHO CN1CC[C@H]2[C@H](CCCN2C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000333487548 554617655 /nfs/dbraw/zinc/61/76/55/554617655.db2.gz GJDBFBIWWXWPGH-CBQXQHFASA-N 1 3 360.546 2.266 20 0 FEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333760289 554639951 /nfs/dbraw/zinc/63/99/51/554639951.db2.gz CMYKKDFLMUOANW-ATZDWAIDSA-N 1 3 351.535 2.384 20 0 FEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333835388 554648038 /nfs/dbraw/zinc/64/80/38/554648038.db2.gz KCQQEZNBVFFPGU-JZFYCYHFSA-N 1 3 351.535 2.098 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000511232204 561862086 /nfs/dbraw/zinc/86/20/86/561862086.db2.gz RULUAALUHOBWJV-KRWDZBQOSA-N 1 3 366.550 2.169 20 0 FEADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)C2)CC1 ZINC000360061019 554862119 /nfs/dbraw/zinc/86/21/19/554862119.db2.gz RXKZGXZFMNVYSU-JQHSSLGASA-N 1 3 366.550 2.190 20 0 FEADHO CN1CC[NH+](C[C@H]2CCCN(CCC(=O)OCc3ccccc3)C2)CC1 ZINC000360443618 554875034 /nfs/dbraw/zinc/87/50/34/554875034.db2.gz CSRKVHFXDXXHGD-FQEVSTJZSA-N 1 3 359.514 2.079 20 0 FEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000360616988 554882262 /nfs/dbraw/zinc/88/22/62/554882262.db2.gz DVEIGYNGRDWEPM-ZCNNSNEGSA-N 1 3 353.466 2.347 20 0 FEADHO FC(F)(F)CCN1CCC([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000360634969 554882769 /nfs/dbraw/zinc/88/27/69/554882769.db2.gz FMPXIOMHJVPKPI-HNNXBMFYSA-N 1 3 363.468 2.494 20 0 FEADHO CCOCCCNC(=O)[C@@H](C)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000362104635 554950120 /nfs/dbraw/zinc/95/01/20/554950120.db2.gz DIKVNPACGPQREH-SJORKVTESA-N 1 3 351.535 2.114 20 0 FEADHO CCOCCCNC(=O)[C@@H](C)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362104635 554950121 /nfs/dbraw/zinc/95/01/21/554950121.db2.gz DIKVNPACGPQREH-SJORKVTESA-N 1 3 351.535 2.114 20 0 FEADHO CCOCCCNC(=O)[C@H](C)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000362104634 554950209 /nfs/dbraw/zinc/95/02/09/554950209.db2.gz DIKVNPACGPQREH-IRXDYDNUSA-N 1 3 351.535 2.114 20 0 FEADHO CCOCCCNC(=O)[C@H](C)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362104634 554950210 /nfs/dbraw/zinc/95/02/10/554950210.db2.gz DIKVNPACGPQREH-IRXDYDNUSA-N 1 3 351.535 2.114 20 0 FEADHO CCCN1CCCN(C(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000363241134 555061580 /nfs/dbraw/zinc/06/15/80/555061580.db2.gz BYKJUOLMBOIXED-MOPGFXCFSA-N 1 3 368.566 2.251 20 0 FEADHO CCCN1CCCN(C(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000363241134 555061581 /nfs/dbraw/zinc/06/15/81/555061581.db2.gz BYKJUOLMBOIXED-MOPGFXCFSA-N 1 3 368.566 2.251 20 0 FEADHO CC(C)[NH+](CCNC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)C(C)C ZINC000363539757 555131871 /nfs/dbraw/zinc/13/18/71/555131871.db2.gz OPMPFHOPHMCADG-CEXWTWQISA-N 1 3 368.566 2.294 20 0 FEADHO CN(Cc1nnc(C2CC2)n1C1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363670558 555160659 /nfs/dbraw/zinc/16/06/59/555160659.db2.gz HVMRSJQVYQNVFI-SFHVURJKSA-N 1 3 358.534 2.091 20 0 FEADHO C[NH+](C)CCOc1ccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000364001664 555230947 /nfs/dbraw/zinc/23/09/47/555230947.db2.gz NWTYZBFYCNCQHI-SQGPQFPESA-N 1 3 361.486 2.098 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000512330049 561900700 /nfs/dbraw/zinc/90/07/00/561900700.db2.gz BIRDGQHSHCBGDR-SFHVURJKSA-N 1 3 362.518 2.262 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000512330049 561900701 /nfs/dbraw/zinc/90/07/01/561900701.db2.gz BIRDGQHSHCBGDR-SFHVURJKSA-N 1 3 362.518 2.262 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513525322 561941897 /nfs/dbraw/zinc/94/18/97/561941897.db2.gz KSWAYIOLHLAOOR-GHTZIAJQSA-N 1 3 353.514 2.376 20 0 FEADHO COC(=O)CCCN1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000366066790 555741491 /nfs/dbraw/zinc/74/14/91/555741491.db2.gz GFDYTMVXRZVESQ-UHFFFAOYSA-N 1 3 351.535 2.401 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000366326090 555812882 /nfs/dbraw/zinc/81/28/82/555812882.db2.gz QQBCPDHFKLJHNJ-MUGJNUQGSA-N 1 3 356.514 2.331 20 0 FEADHO C[C@H]1C[C@H](CNC(=O)N2CCN3CCC2CC3)C[N@@H+]1Cc1ccccc1 ZINC000367409960 556041117 /nfs/dbraw/zinc/04/11/17/556041117.db2.gz KRHLKOJZSSIHKI-PKOBYXMFSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@H]1C[C@H](CNC(=O)N2CCN3CCC2CC3)C[N@H+]1Cc1ccccc1 ZINC000367409960 556041119 /nfs/dbraw/zinc/04/11/19/556041119.db2.gz KRHLKOJZSSIHKI-PKOBYXMFSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1-n1ccnn1 ZINC000367615179 556097867 /nfs/dbraw/zinc/09/78/67/556097867.db2.gz KIANYOHMJAWUSS-DLBZAZTESA-N 1 3 354.502 2.086 20 0 FEADHO O=C(Nc1cccc2c1CCNC2)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000515046683 561993557 /nfs/dbraw/zinc/99/35/57/561993557.db2.gz VXLVIXNOOSBHBS-UXHICEINSA-N 1 3 372.513 2.222 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@@]3(CCN(C)C3)C2)C1 ZINC000368299765 556272384 /nfs/dbraw/zinc/27/23/84/556272384.db2.gz RXEZJSMEAHEALC-QWFCFKBJSA-N 1 3 350.551 2.482 20 0 FEADHO C[C@H]1CCC[N@@H+]1C1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000368389796 556294410 /nfs/dbraw/zinc/29/44/10/556294410.db2.gz KQHGRQANJPIWMD-GHTZIAJQSA-N 1 3 372.557 2.354 20 0 FEADHO C[C@H]1CCC[N@H+]1C1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000368389796 556294415 /nfs/dbraw/zinc/29/44/15/556294415.db2.gz KQHGRQANJPIWMD-GHTZIAJQSA-N 1 3 372.557 2.354 20 0 FEADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000368482519 556322994 /nfs/dbraw/zinc/32/29/94/556322994.db2.gz KNSDJVGOOMLDGL-CWJKEVGVSA-N 1 3 371.525 2.332 20 0 FEADHO C[C@@H]1C[C@H](CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000368617613 556364678 /nfs/dbraw/zinc/36/46/78/556364678.db2.gz RWCSHPHBUNCNNN-IAGOWNOFSA-N 1 3 366.550 2.049 20 0 FEADHO CC[N@H+](CCNC(=O)NC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000368877277 556436170 /nfs/dbraw/zinc/43/61/70/556436170.db2.gz OXVSMSJXVLSSKX-UHFFFAOYSA-N 1 3 350.532 2.496 20 0 FEADHO CC[N@@H+](CCNC(=O)NC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000368877277 556436171 /nfs/dbraw/zinc/43/61/71/556436171.db2.gz OXVSMSJXVLSSKX-UHFFFAOYSA-N 1 3 350.532 2.496 20 0 FEADHO O=C(NC1CCN(CCc2ccncc2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368884163 556438869 /nfs/dbraw/zinc/43/88/69/556438869.db2.gz PKJSYEQPQSDHCT-UXHICEINSA-N 1 3 371.529 2.015 20 0 FEADHO O=C(NC1CCN(CCc2ccncc2)CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368884163 556438872 /nfs/dbraw/zinc/43/88/72/556438872.db2.gz PKJSYEQPQSDHCT-UXHICEINSA-N 1 3 371.529 2.015 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369219544 556539447 /nfs/dbraw/zinc/53/94/47/556539447.db2.gz FOGIKBAZEULTEH-QUCCMNQESA-N 1 3 373.545 2.467 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369219544 556539448 /nfs/dbraw/zinc/53/94/48/556539448.db2.gz FOGIKBAZEULTEH-QUCCMNQESA-N 1 3 373.545 2.467 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369233294 556543838 /nfs/dbraw/zinc/54/38/38/556543838.db2.gz SSDXMEOPIJZRSO-UFYCRDLUSA-N 1 3 371.529 2.220 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369233294 556543840 /nfs/dbraw/zinc/54/38/40/556543840.db2.gz SSDXMEOPIJZRSO-UFYCRDLUSA-N 1 3 371.529 2.220 20 0 FEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000369305447 556569872 /nfs/dbraw/zinc/56/98/72/556569872.db2.gz CHPCZAHGCJGUPX-YTQUADARSA-N 1 3 374.529 2.278 20 0 FEADHO C[C@H](CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)N1CCC(C)CC1 ZINC000369531224 556622560 /nfs/dbraw/zinc/62/25/60/556622560.db2.gz LOOMMIBIPNZCKV-GOSISDBHSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@H](CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1)N1CCC(C)CC1 ZINC000369531224 556622561 /nfs/dbraw/zinc/62/25/61/556622561.db2.gz LOOMMIBIPNZCKV-GOSISDBHSA-N 1 3 366.550 2.003 20 0 FEADHO COc1cc(NC(=O)N(C)CCC[NH+](C)C)ccc1OCCN(C)C ZINC000516262083 562038046 /nfs/dbraw/zinc/03/80/46/562038046.db2.gz IRTOCKLTAMFUSQ-UHFFFAOYSA-N 1 3 352.479 2.051 20 0 FEADHO C[N@H+](C[C@H](O)CNc1cccc(N2CCN(CC3CC3)CC2)c1)C1CC1 ZINC000516277755 562038376 /nfs/dbraw/zinc/03/83/76/562038376.db2.gz HCJPWEFVHGFUDV-OAQYLSRUSA-N 1 3 358.530 2.086 20 0 FEADHO C[N@@H+](C[C@H](O)CNc1cccc(N2CCN(CC3CC3)CC2)c1)C1CC1 ZINC000516277755 562038378 /nfs/dbraw/zinc/03/83/78/562038378.db2.gz HCJPWEFVHGFUDV-OAQYLSRUSA-N 1 3 358.530 2.086 20 0 FEADHO C[NH+]1CCC(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000369731632 556680100 /nfs/dbraw/zinc/68/01/00/556680100.db2.gz KEWRIXOJGKQYOF-UHFFFAOYSA-N 1 3 362.440 2.185 20 0 FEADHO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C2CCN(C3CCCCC3)CC2)C1=O ZINC000369848632 556711152 /nfs/dbraw/zinc/71/11/52/556711152.db2.gz VZKSNYPIMIAMIO-YWZLYKJASA-N 1 3 362.518 2.094 20 0 FEADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000369929572 556733377 /nfs/dbraw/zinc/73/33/77/556733377.db2.gz YXUHXLAOSOZXOF-UHFFFAOYSA-N 1 3 363.546 2.356 20 0 FEADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)C2CCN(c3ccncc3)CC2)C1 ZINC000370405767 556863085 /nfs/dbraw/zinc/86/30/85/556863085.db2.gz XGFZEACWOJQFNE-VQIMIIECSA-N 1 3 359.518 2.421 20 0 FEADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N(C)C2CCN(c3ccncc3)CC2)C1 ZINC000370405767 556863087 /nfs/dbraw/zinc/86/30/87/556863087.db2.gz XGFZEACWOJQFNE-VQIMIIECSA-N 1 3 359.518 2.421 20 0 FEADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000370624964 556923806 /nfs/dbraw/zinc/92/38/06/556923806.db2.gz SFTGFLQYQTWUBH-WMZOPIPTSA-N 1 3 372.513 2.462 20 0 FEADHO Cc1cccc(C(=O)NCCN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000370676647 556937410 /nfs/dbraw/zinc/93/74/10/556937410.db2.gz MTMZBVOWHRYXJC-YZGWKJHDSA-N 1 3 359.514 2.204 20 0 FEADHO Cc1cccc(C(=O)NCCN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000370676647 556937411 /nfs/dbraw/zinc/93/74/11/556937411.db2.gz MTMZBVOWHRYXJC-YZGWKJHDSA-N 1 3 359.514 2.204 20 0 FEADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3CCCCN3CCO)ccc21 ZINC000516953920 562066953 /nfs/dbraw/zinc/06/69/53/562066953.db2.gz LQKCBHJAFVHZRO-PKOBYXMFSA-N 1 3 360.502 2.204 20 0 FEADHO CN(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000371732150 557277516 /nfs/dbraw/zinc/27/75/16/557277516.db2.gz KEUFFUYADWNZPI-BEVDRBHNSA-N 1 3 356.514 2.388 20 0 FEADHO CN(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000371732150 557277520 /nfs/dbraw/zinc/27/75/20/557277520.db2.gz KEUFFUYADWNZPI-BEVDRBHNSA-N 1 3 356.514 2.388 20 0 FEADHO CC[C@@]1(C(=O)Nc2ccc(NC(=O)NC3CCN(C)CC3)cc2)CC[NH2+]C1 ZINC000372190625 557404266 /nfs/dbraw/zinc/40/42/66/557404266.db2.gz BRVHQOOWGCPVLN-HXUWFJFHSA-N 1 3 373.501 2.231 20 0 FEADHO Fc1ccc(-n2ccc(CCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000518959729 562121881 /nfs/dbraw/zinc/12/18/81/562121881.db2.gz IWKSHYICNLEFKW-VAMGGRTRSA-N 1 3 358.461 2.301 20 0 FEADHO CN1CC[C@@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@@H]1c1cccs1 ZINC000372321767 557439121 /nfs/dbraw/zinc/43/91/21/557439121.db2.gz SYYCMZWMCUPCFU-YQQAZPJKSA-N 1 3 350.532 2.334 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000519181750 562126698 /nfs/dbraw/zinc/12/66/98/562126698.db2.gz PJDCTNIAIJFDIR-RCBQFDQVSA-N 1 3 371.319 2.468 20 0 FEADHO CN1CCN(Cc2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000519638841 562138132 /nfs/dbraw/zinc/13/81/32/562138132.db2.gz DLMJUOMBXMBGEG-HXUWFJFHSA-N 1 3 352.482 2.463 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC[NH2+]1 ZINC000519695139 562140388 /nfs/dbraw/zinc/14/03/88/562140388.db2.gz FWTJLZAAJKNZNK-OAGGEKHMSA-N 1 3 350.532 2.400 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000373184596 557646544 /nfs/dbraw/zinc/64/65/44/557646544.db2.gz FIBKSWDKZNLJLW-ZSYWTGECSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)C1 ZINC000373184596 557646546 /nfs/dbraw/zinc/64/65/46/557646546.db2.gz FIBKSWDKZNLJLW-ZSYWTGECSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H](CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000373264312 557661305 /nfs/dbraw/zinc/66/13/05/557661305.db2.gz OYEXNIWQEUTKOC-QZTJIDSGSA-N 1 3 366.550 2.146 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373481866 557701888 /nfs/dbraw/zinc/70/18/88/557701888.db2.gz QZBCOCPUPKHEJW-GPJFCIFZSA-N 1 3 358.530 2.475 20 0 FEADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000520772178 562163355 /nfs/dbraw/zinc/16/33/55/562163355.db2.gz YAAKTRAFVBAQNQ-YZGWKJHDSA-N 1 3 356.514 2.437 20 0 FEADHO CC(C)[C@H](C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)N1CCCCC1 ZINC000374402105 557879239 /nfs/dbraw/zinc/87/92/39/557879239.db2.gz SELRVWMQKLJYEZ-NCXUSEDFSA-N 1 3 351.535 2.207 20 0 FEADHO COC(=O)c1ccccc1CCN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000375394888 558020347 /nfs/dbraw/zinc/02/03/47/558020347.db2.gz ZLBPTTUYZBIFEH-KRWDZBQOSA-N 1 3 359.514 2.116 20 0 FEADHO CN1CC=C(C[NH2+][C@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000375849209 558089067 /nfs/dbraw/zinc/08/90/67/558089067.db2.gz GGRCFURWJPRNAE-ZWKOTPCHSA-N 1 3 365.518 2.252 20 0 FEADHO C[C@@H]1CN(CCc2nc(-c3ccccc3)no2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000376204175 558140492 /nfs/dbraw/zinc/14/04/92/558140492.db2.gz XOTVOTZKULOZCS-MJGOQNOKSA-N 1 3 369.513 2.237 20 0 FEADHO C[N@H+](CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000376239216 558146235 /nfs/dbraw/zinc/14/62/35/558146235.db2.gz JJANAPHZISKMAD-SQGPQFPESA-N 1 3 351.535 2.290 20 0 FEADHO C[N@@H+](CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000376239216 558146237 /nfs/dbraw/zinc/14/62/37/558146237.db2.gz JJANAPHZISKMAD-SQGPQFPESA-N 1 3 351.535 2.290 20 0 FEADHO COc1cccc([C@@H](CNC(=O)N2CC[NH+]3CCC2CC3)N2CCCC2)c1 ZINC000376797396 558222784 /nfs/dbraw/zinc/22/27/84/558222784.db2.gz FBCUQTOLYMXMQF-HXUWFJFHSA-N 1 3 372.513 2.322 20 0 FEADHO O=C(N1CC[C@H]2C[NH2+]C[C@H]21)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000377405276 558334480 /nfs/dbraw/zinc/33/44/80/558334480.db2.gz XULUOVDUSHOGJQ-LZLYRXPVSA-N 1 3 367.415 2.261 20 0 FEADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCN(C2CC2)C1 ZINC000522069176 562190753 /nfs/dbraw/zinc/19/07/53/562190753.db2.gz AGEXKFDJWNZNBU-NRFANRHFSA-N 1 3 370.541 2.067 20 0 FEADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000378091663 558478862 /nfs/dbraw/zinc/47/88/62/558478862.db2.gz MPODZASBIUSUCX-YVWKXTFCSA-N 1 3 371.529 2.076 20 0 FEADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000378091663 558478864 /nfs/dbraw/zinc/47/88/64/558478864.db2.gz MPODZASBIUSUCX-YVWKXTFCSA-N 1 3 371.529 2.076 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378223094 558505572 /nfs/dbraw/zinc/50/55/72/558505572.db2.gz GQUOZDXODSJRDC-NRFANRHFSA-N 1 3 370.541 2.189 20 0 FEADHO O=C(CCC1CC[NH2+]CC1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390947387 558613209 /nfs/dbraw/zinc/61/32/09/558613209.db2.gz PZOJFLCOLLSRLZ-HXUWFJFHSA-N 1 3 359.514 2.174 20 0 FEADHO Cn1ncc2c1CCC[C@@H]2[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397487577 558624284 /nfs/dbraw/zinc/62/42/84/558624284.db2.gz DSZNJKLJYLETRA-IBGZPJMESA-N 1 3 354.498 2.414 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000410411994 558755912 /nfs/dbraw/zinc/75/59/12/558755912.db2.gz XNXIDUWUZUSXLK-QZTJIDSGSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000410411994 558755916 /nfs/dbraw/zinc/75/59/16/558755916.db2.gz XNXIDUWUZUSXLK-QZTJIDSGSA-N 1 3 360.502 2.053 20 0 FEADHO Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)ccc1C[NH+](C)C ZINC000411224418 558855990 /nfs/dbraw/zinc/85/59/90/558855990.db2.gz JHPDEZHVAWTPKO-IBGZPJMESA-N 1 3 372.513 2.082 20 0 FEADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411456180 558897972 /nfs/dbraw/zinc/89/79/72/558897972.db2.gz JNAJHXSODHJPEE-UHFFFAOYSA-N 1 3 362.518 2.185 20 0 FEADHO C[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCN(C2CC2)C1 ZINC000412367138 559031165 /nfs/dbraw/zinc/03/11/65/559031165.db2.gz MDIOOZKNXJRFPJ-YJBOKZPZSA-N 1 3 351.560 2.147 20 0 FEADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000412768849 559055115 /nfs/dbraw/zinc/05/51/15/559055115.db2.gz CRIHKQOUEIHDOF-FQEVSTJZSA-N 1 3 373.541 2.394 20 0 FEADHO C[N@H+]1CCCC[C@H]1CCC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000412768849 559055116 /nfs/dbraw/zinc/05/51/16/559055116.db2.gz CRIHKQOUEIHDOF-FQEVSTJZSA-N 1 3 373.541 2.394 20 0 FEADHO CN1CCN(CCCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000413055795 559073462 /nfs/dbraw/zinc/07/34/62/559073462.db2.gz BMNBCSMFDVNKDV-UHFFFAOYSA-N 1 3 358.530 2.040 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCC(COC)CC1 ZINC000413775539 559129834 /nfs/dbraw/zinc/12/98/34/559129834.db2.gz VCQIEEZKJHYBGY-CTWPCTMYSA-N 1 3 368.566 2.249 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCC(COC)CC1 ZINC000413775539 559129835 /nfs/dbraw/zinc/12/98/35/559129835.db2.gz VCQIEEZKJHYBGY-CTWPCTMYSA-N 1 3 368.566 2.249 20 0 FEADHO [NH3+]CCCn1cc(-c2nc(-c3cccc(CN4CCCCC4)c3)no2)nn1 ZINC000414489828 559167978 /nfs/dbraw/zinc/16/79/78/559167978.db2.gz ZMGDYUIJGHAVQZ-UHFFFAOYSA-N 1 3 367.457 2.330 20 0 FEADHO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c(OC)c1 ZINC000414684769 559179452 /nfs/dbraw/zinc/17/94/52/559179452.db2.gz WQZJKHPKHPAGOX-MAUKXSAKSA-N 1 3 361.486 2.038 20 0 FEADHO COc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c(OC)c1 ZINC000414684769 559179453 /nfs/dbraw/zinc/17/94/53/559179453.db2.gz WQZJKHPKHPAGOX-MAUKXSAKSA-N 1 3 361.486 2.038 20 0 FEADHO COc1ccc(CC2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000414692888 559180125 /nfs/dbraw/zinc/18/01/25/559180125.db2.gz MDOFNTZLPUIDSQ-LJQANCHMSA-N 1 3 359.514 2.147 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000414693967 559180345 /nfs/dbraw/zinc/18/03/45/559180345.db2.gz SIZBXTMVMNIEKA-INIZCTEOSA-N 1 3 360.502 2.115 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000414693967 559180347 /nfs/dbraw/zinc/18/03/47/559180347.db2.gz SIZBXTMVMNIEKA-INIZCTEOSA-N 1 3 360.502 2.115 20 0 FEADHO CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1)CCC2 ZINC000414699847 559180743 /nfs/dbraw/zinc/18/07/43/559180743.db2.gz FRGFTTYVBZQVLW-ZFWWWQNUSA-N 1 3 350.532 2.212 20 0 FEADHO CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1)CCC2 ZINC000414699847 559180744 /nfs/dbraw/zinc/18/07/44/559180744.db2.gz FRGFTTYVBZQVLW-ZFWWWQNUSA-N 1 3 350.532 2.212 20 0 FEADHO Cc1ccc(C)c(OC2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)c1 ZINC000414750509 559184754 /nfs/dbraw/zinc/18/47/54/559184754.db2.gz RHFPVNXJAPMTFG-SFHVURJKSA-N 1 3 359.514 2.344 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)C1 ZINC000414752453 559185074 /nfs/dbraw/zinc/18/50/74/559185074.db2.gz KROMMCYOYCYGJW-YJBOKZPZSA-N 1 3 361.461 2.060 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)C1 ZINC000414752453 559185075 /nfs/dbraw/zinc/18/50/75/559185075.db2.gz KROMMCYOYCYGJW-YJBOKZPZSA-N 1 3 361.461 2.060 20 0 FEADHO C[C@H]1C[C@H](CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC[NH2+]1 ZINC000414762685 559186175 /nfs/dbraw/zinc/18/61/75/559186175.db2.gz WLBOQFKBCYBFHG-NWDGAFQWSA-N 1 3 363.453 2.457 20 0 FEADHO Cc1nn(C)c(OCC(F)(F)F)c1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780383 559187129 /nfs/dbraw/zinc/18/71/29/559187129.db2.gz LKZICSIFVORZFW-UONOGXRCSA-N 1 3 360.424 2.491 20 0 FEADHO CC(C)(C)c1nn(Cc2ccccc2)cc1CNCCN1CC[NH2+]CC1 ZINC000414869001 559191980 /nfs/dbraw/zinc/19/19/80/559191980.db2.gz QQTQTMICFRAVLY-UHFFFAOYSA-N 1 3 355.530 2.224 20 0 FEADHO Cc1ccccc1NC(=O)C[C@@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414971381 559197858 /nfs/dbraw/zinc/19/78/58/559197858.db2.gz IHICZYGYYOHQJO-ZBFHGGJFSA-N 1 3 372.435 2.138 20 0 FEADHO O=C1CC[C@@H](NCc2cccc(C(F)(F)F)c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414985409 559198811 /nfs/dbraw/zinc/19/88/11/559198811.db2.gz HTOUKYNAFMSMLV-WBVHZDCISA-N 1 3 355.404 2.442 20 0 FEADHO Fc1ccccc1-c1n[nH]cc1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414990741 559199333 /nfs/dbraw/zinc/19/93/33/559199333.db2.gz ROZOTSDJSOHWTH-HNNXBMFYSA-N 1 3 371.382 2.142 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415064368 559203301 /nfs/dbraw/zinc/20/33/01/559203301.db2.gz CJRFEYUEPFUHCD-ZWKOTPCHSA-N 1 3 374.554 2.351 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415064364 559203370 /nfs/dbraw/zinc/20/33/70/559203370.db2.gz CJRFEYUEPFUHCD-MSOLQXFVSA-N 1 3 374.554 2.351 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)CN2CCCCCC2)c1 ZINC000415128838 559206867 /nfs/dbraw/zinc/20/68/67/559206867.db2.gz YFWRQTZVZWTDSC-INIZCTEOSA-N 1 3 360.502 2.115 20 0 FEADHO C[C@H](Cc1ccccc1)CN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415134762 559207480 /nfs/dbraw/zinc/20/74/80/559207480.db2.gz DYBFQIGWNQVDOG-UXPWSPDFSA-N 1 3 356.514 2.085 20 0 FEADHO C[C@H](CN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000415144027 559208669 /nfs/dbraw/zinc/20/86/69/559208669.db2.gz UMEQLKRALSXNFF-ZMYBRWDISA-N 1 3 360.477 2.149 20 0 FEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1)N(C)C ZINC000415154874 559209745 /nfs/dbraw/zinc/20/97/45/559209745.db2.gz BSTCITHMPKFPHT-BEFAXECRSA-N 1 3 368.481 2.200 20 0 FEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1)N(C)C ZINC000415154877 559209750 /nfs/dbraw/zinc/20/97/50/559209750.db2.gz BSTCITHMPKFPHT-KXBFYZLASA-N 1 3 368.481 2.200 20 0 FEADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1CNC ZINC000415164310 559210810 /nfs/dbraw/zinc/21/08/10/559210810.db2.gz KYMBUATXPYUGJI-IEBWSBKVSA-N 1 3 374.529 2.361 20 0 FEADHO Cc1ccc(NC(=O)N[C@@H]2CNCCC2(F)F)c(OCC[NH+](C)C)c1 ZINC000415201923 559214380 /nfs/dbraw/zinc/21/43/80/559214380.db2.gz HEANNEFTNMSZJI-OAHLLOKOSA-N 1 3 356.417 2.054 20 0 FEADHO [NH3+]C1(CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CCCCC1 ZINC000415293820 559221715 /nfs/dbraw/zinc/22/17/15/559221715.db2.gz PDKQJQDDGALFNS-UHFFFAOYSA-N 1 3 372.513 2.389 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CCCC[C@H]3C[NH3+])c2)CC1 ZINC000415497590 559243581 /nfs/dbraw/zinc/24/35/81/559243581.db2.gz IFOUCNGWJUBZOE-LPHOPBHVSA-N 1 3 359.518 2.468 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000415580362 559252151 /nfs/dbraw/zinc/25/21/51/559252151.db2.gz LWCSMJSJLUERDV-YTQUADARSA-N 1 3 372.513 2.053 20 0 FEADHO C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C[C@H]1C[NH3+] ZINC000415834437 559276770 /nfs/dbraw/zinc/27/67/70/559276770.db2.gz ANMCXYYRRFWSOA-FUHWJXTLSA-N 1 3 372.513 2.054 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416018964 559289426 /nfs/dbraw/zinc/28/94/26/559289426.db2.gz ZNDAGCFUVGPJBX-BMFZPTHFSA-N 1 3 372.435 2.476 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccccc1 ZINC000416805651 559333284 /nfs/dbraw/zinc/33/32/84/559333284.db2.gz LESCYDRIEWQEOE-ZCNNSNEGSA-N 1 3 352.482 2.426 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1cccc(OC)c1 ZINC000416903538 559337346 /nfs/dbraw/zinc/33/73/46/559337346.db2.gz CHKOYYKYJADPLO-TXPKVOOTSA-N 1 3 362.518 2.457 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1cccc(OC)c1 ZINC000416903534 559337431 /nfs/dbraw/zinc/33/74/31/559337431.db2.gz CHKOYYKYJADPLO-FRQCXROJSA-N 1 3 362.518 2.457 20 0 FEADHO C[NH2+]CCC1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)CC1 ZINC000416972186 559341095 /nfs/dbraw/zinc/34/10/95/559341095.db2.gz RMNCSNZLDHSCNI-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000416975135 559341455 /nfs/dbraw/zinc/34/14/55/559341455.db2.gz MIXDJOSYZQWDKQ-PKOBYXMFSA-N 1 3 356.514 2.210 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000416976506 559341470 /nfs/dbraw/zinc/34/14/70/559341470.db2.gz RDMCUFVGVKMMDP-FQEVSTJZSA-N 1 3 374.529 2.301 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCc2ccccc2C1 ZINC000417019850 559344156 /nfs/dbraw/zinc/34/41/56/559344156.db2.gz RISVTOSMIIIVNB-XUVXKRRUSA-N 1 3 356.514 2.217 20 0 FEADHO CCN1CCN(CCCCNC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000417036322 559345101 /nfs/dbraw/zinc/34/51/01/559345101.db2.gz HMWNGKBNDXNIAH-UHFFFAOYSA-N 1 3 367.582 2.016 20 0 FEADHO CC(C)(CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCc2ccccc2C1 ZINC000417089936 559347190 /nfs/dbraw/zinc/34/71/90/559347190.db2.gz SOVJCSVKSNKVJE-HKUYNNGSSA-N 1 3 356.514 2.074 20 0 FEADHO CC(C)(CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000417090802 559347459 /nfs/dbraw/zinc/34/74/59/559347459.db2.gz YQSRCIMBZQQYDY-RTBURBONSA-N 1 3 356.514 2.217 20 0 FEADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)NCC[C@H]1CCC[NH2+]1 ZINC000417153077 559350265 /nfs/dbraw/zinc/35/02/65/559350265.db2.gz NWTGFIVDTSIOEH-LJQANCHMSA-N 1 3 373.545 2.030 20 0 FEADHO COc1ccc(C[NH+]2CCC(CNC(=O)N3CCNC(C)(C)C3)CC2)cc1 ZINC000417331155 559357912 /nfs/dbraw/zinc/35/79/12/559357912.db2.gz LXEQIICQPUESSR-UHFFFAOYSA-N 1 3 374.529 2.301 20 0 FEADHO [NH3+]CC[C@H](NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C(F)F ZINC000417360512 559359092 /nfs/dbraw/zinc/35/90/92/559359092.db2.gz HVWBBIXVRYMQQB-OCCSQVGLSA-N 1 3 360.474 2.242 20 0 FEADHO O=C(NCC[C@H]1CC[NH2+]C1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417369543 559359655 /nfs/dbraw/zinc/35/96/55/559359655.db2.gz RKKDZMYPNZUEBD-HZPDHXFCSA-N 1 3 350.532 2.259 20 0 FEADHO C[C@@H]1CN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@H](C)CN1 ZINC000417388810 559360453 /nfs/dbraw/zinc/36/04/53/559360453.db2.gz WDKUKLZZMDSCEI-HUUCEWRRSA-N 1 3 350.532 2.352 20 0 FEADHO COCCCN1CCC(NC(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000417438072 559362303 /nfs/dbraw/zinc/36/23/03/559362303.db2.gz IOXARMGQKHWVRZ-UHFFFAOYSA-N 1 3 362.518 2.048 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000417514665 559365595 /nfs/dbraw/zinc/36/55/95/559365595.db2.gz JXIRCIZUOFVVFM-QUCCMNQESA-N 1 3 362.518 2.076 20 0 FEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000417624257 559369357 /nfs/dbraw/zinc/36/93/57/559369357.db2.gz JWGPIKSUCMVPDR-JKSUJKDBSA-N 1 3 354.564 2.130 20 0 FEADHO COc1cc(NC(=O)N(C)CCN2CCCC2)ccc1OCC[NH+](C)C ZINC000417645113 559369953 /nfs/dbraw/zinc/36/99/53/559369953.db2.gz AVTZOQOOSZHOCR-UHFFFAOYSA-N 1 3 364.490 2.195 20 0 FEADHO CN1CCC[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)[C@H]1c1cccs1 ZINC000417734767 559374471 /nfs/dbraw/zinc/37/44/71/559374471.db2.gz KIKUBIRMGOCYNW-BZPMIXESSA-N 1 3 360.474 2.413 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417822149 559377724 /nfs/dbraw/zinc/37/77/24/559377724.db2.gz JIGXXFZYJARJNB-NSISKUIASA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417825291 559377983 /nfs/dbraw/zinc/37/79/83/559377983.db2.gz MYOFCADQXLYVKL-FVQBIDKESA-N 1 3 354.445 2.179 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000417831619 559378318 /nfs/dbraw/zinc/37/83/18/559378318.db2.gz HYUJUACJACNFLF-VBSBHUPXSA-N 1 3 356.514 2.290 20 0 FEADHO [NH3+]C1(CNC(=O)NCc2ccccc2CN2CC[C@H](O)C2)CCCCCC1 ZINC000417987769 559385294 /nfs/dbraw/zinc/38/52/94/559385294.db2.gz ICHJZHIWVYONJD-IBGZPJMESA-N 1 3 374.529 2.104 20 0 FEADHO C[C@]1(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000418044443 559387699 /nfs/dbraw/zinc/38/76/99/559387699.db2.gz MQPPYWNIRARMGQ-QKNQBKEWSA-N 1 3 356.514 2.292 20 0 FEADHO O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418071466 559389017 /nfs/dbraw/zinc/38/90/17/559389017.db2.gz IVMSCVIVEKYVSM-WOJBJXKFSA-N 1 3 374.529 2.109 20 0 FEADHO [NH3+]C[C@@H](NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)C1CCCC1 ZINC000418073344 559389057 /nfs/dbraw/zinc/38/90/57/559389057.db2.gz MHNDHYCLAVLZRX-VQTJNVASSA-N 1 3 374.529 2.094 20 0 FEADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418111038 559390484 /nfs/dbraw/zinc/39/04/84/559390484.db2.gz XCPOHMGDGRZXAI-FPOVZHCZSA-N 1 3 356.514 2.294 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)NCCC3=CC[NH2+]CC3)cc2)CC1 ZINC000418165837 559392574 /nfs/dbraw/zinc/39/25/74/559392574.db2.gz IYUWKVFRZJPAKD-UHFFFAOYSA-N 1 3 372.513 2.269 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)N3CCCC[C@H]3C[NH3+])cc2)CC1 ZINC000418167389 559392735 /nfs/dbraw/zinc/39/27/35/559392735.db2.gz KWHPOKUZTHJFEJ-KRWDZBQOSA-N 1 3 360.502 2.182 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)N(C)C)cc1 ZINC000418235724 559395109 /nfs/dbraw/zinc/39/51/09/559395109.db2.gz SYZZVQVDKJJDDV-KMFMINBZSA-N 1 3 350.532 2.390 20 0 FEADHO O=C(NC[C@@H]1CCC[NH2+]C1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418309542 559397088 /nfs/dbraw/zinc/39/70/88/559397088.db2.gz CITVRLWEASAURB-TZIWHRDSSA-N 1 3 356.514 2.294 20 0 FEADHO O=C(NC[C@@H]1CCC[NH2+]C1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000418325938 559397602 /nfs/dbraw/zinc/39/76/02/559397602.db2.gz XGALBGBXOIHHHQ-VAMGGRTRSA-N 1 3 356.514 2.150 20 0 FEADHO O=C(NCCCNCc1cccnc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418330372 559397677 /nfs/dbraw/zinc/39/76/77/559397677.db2.gz CKPSUUWGGVTSMN-LJQANCHMSA-N 1 3 359.518 2.221 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418335695 559398114 /nfs/dbraw/zinc/39/81/14/559398114.db2.gz HMULFLPPSLXCNH-AWEZNQCLSA-N 1 3 354.445 2.038 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418404394 559400423 /nfs/dbraw/zinc/40/04/23/559400423.db2.gz JHRAFULMFKOZTA-WMZOPIPTSA-N 1 3 350.482 2.416 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418404393 559400430 /nfs/dbraw/zinc/40/04/30/559400430.db2.gz JHRAFULMFKOZTA-SJLPKXTDSA-N 1 3 350.482 2.416 20 0 FEADHO CN(C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])C1CCN(CCc2ccccn2)CC1 ZINC000418409828 559400476 /nfs/dbraw/zinc/40/04/76/559400476.db2.gz NYKSDGMQQKTNEN-YLJYHZDGSA-N 1 3 373.545 2.247 20 0 FEADHO CCCC[C@H](C[NH3+])NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418458146 559402546 /nfs/dbraw/zinc/40/25/46/559402546.db2.gz FHNVMKYXENTFLT-JENIJYKNSA-N 1 3 368.566 2.425 20 0 FEADHO NC[C@@H](NC(=O)N1CCC(OCCC[NH3+])CC1)c1ccc2ccccc2c1 ZINC000418499728 559403959 /nfs/dbraw/zinc/40/39/59/559403959.db2.gz MVMBMRJEBYQLEC-HXUWFJFHSA-N 1 3 370.497 2.379 20 0 FEADHO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)N(CCN(C)C)C(C)C)cc1 ZINC000418538695 559405374 /nfs/dbraw/zinc/40/53/74/559405374.db2.gz DZPSAKCYDOHJMM-MOPGFXCFSA-N 1 3 362.518 2.122 20 0 FEADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418551581 559405825 /nfs/dbraw/zinc/40/58/25/559405825.db2.gz BEXRDSNCAWGQLH-YOEHRIQHSA-N 1 3 352.910 2.411 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000418630610 559408576 /nfs/dbraw/zinc/40/85/76/559408576.db2.gz FOZDIMTUBFRMPV-UYAOXDASSA-N 1 3 374.529 2.016 20 0 FEADHO C[NH+](C)CCCOC1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000418636919 559408872 /nfs/dbraw/zinc/40/88/72/559408872.db2.gz MOSAPZFQEFLSAT-HXUWFJFHSA-N 1 3 374.529 2.016 20 0 FEADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)C[C@@H](C)C1 ZINC000418639945 559409060 /nfs/dbraw/zinc/40/90/60/559409060.db2.gz QGPCONCFEWFEGT-JSJNYSNDSA-N 1 3 356.514 2.245 20 0 FEADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)C[C@@H](C)C1 ZINC000418639945 559409061 /nfs/dbraw/zinc/40/90/61/559409061.db2.gz QGPCONCFEWFEGT-JSJNYSNDSA-N 1 3 356.514 2.245 20 0 FEADHO O=C(NC[C@H]1NCCc2ccccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418647788 559409271 /nfs/dbraw/zinc/40/92/71/559409271.db2.gz YMFFPQKLXREQDE-HXUWFJFHSA-N 1 3 356.514 2.391 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418726257 559412595 /nfs/dbraw/zinc/41/25/95/559412595.db2.gz PJNKYPFBUXBHBQ-CRAIPNDOSA-N 1 3 350.482 2.416 20 0 FEADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCCN(Cc2ccccc2)CC1 ZINC000418779828 559415706 /nfs/dbraw/zinc/41/57/06/559415706.db2.gz BOTJTSMDCRXRTL-VAMGGRTRSA-N 1 3 356.514 2.292 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418796102 559416418 /nfs/dbraw/zinc/41/64/18/559416418.db2.gz SVOMFAOCFHMKNC-BBRMVZONSA-N 1 3 354.445 2.165 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418795596 559416446 /nfs/dbraw/zinc/41/64/46/559416446.db2.gz QQYWFEPXSARBAH-ZHALLVOQSA-N 1 3 362.493 2.287 20 0 FEADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCC3(N(C)C)CC3)cc2)C1 ZINC000419815369 559460826 /nfs/dbraw/zinc/46/08/26/559460826.db2.gz PNOQBLPVUBDBOW-MRXNPFEDSA-N 1 3 372.513 2.067 20 0 FEADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCC3(N(C)C)CC3)cc2)C1 ZINC000419815369 559460827 /nfs/dbraw/zinc/46/08/27/559460827.db2.gz PNOQBLPVUBDBOW-MRXNPFEDSA-N 1 3 372.513 2.067 20 0 FEADHO [NH3+]C[C@H]1CN(CCC(=O)Nc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420332185 559481265 /nfs/dbraw/zinc/48/12/65/559481265.db2.gz RLTLIAINZUHQRQ-AWEZNQCLSA-N 1 3 351.878 2.356 20 0 FEADHO NC[C@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420332185 559481266 /nfs/dbraw/zinc/48/12/66/559481266.db2.gz RLTLIAINZUHQRQ-AWEZNQCLSA-N 1 3 351.878 2.356 20 0 FEADHO NC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420332185 559481267 /nfs/dbraw/zinc/48/12/67/559481267.db2.gz RLTLIAINZUHQRQ-AWEZNQCLSA-N 1 3 351.878 2.356 20 0 FEADHO Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000420334046 559481361 /nfs/dbraw/zinc/48/13/61/559481361.db2.gz KYBCTCQDDSWGKA-YESZJQIVSA-N 1 3 358.486 2.271 20 0 FEADHO C[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccncc1Cl ZINC000421856171 559554931 /nfs/dbraw/zinc/55/49/31/559554931.db2.gz NUMSIWGBONDHAB-HNNXBMFYSA-N 1 3 352.910 2.182 20 0 FEADHO COc1ccc(Br)c(C(=O)NCCCN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000422904558 559610518 /nfs/dbraw/zinc/61/05/18/559610518.db2.gz GYHVBLRJKCAHNU-NWDGAFQWSA-N 1 3 372.307 2.293 20 0 FEADHO N[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000422719437 559604252 /nfs/dbraw/zinc/60/42/52/559604252.db2.gz REGRTHOBQGPTHS-WOJBJXKFSA-N 1 3 366.513 2.113 20 0 FEADHO [NH3+][C@@H]1C[C@@H](NCCCCN2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000422719437 559604253 /nfs/dbraw/zinc/60/42/53/559604253.db2.gz REGRTHOBQGPTHS-WOJBJXKFSA-N 1 3 366.513 2.113 20 0 FEADHO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N2CCOCC2)o1 ZINC000422799646 559606904 /nfs/dbraw/zinc/60/69/04/559606904.db2.gz XURDTPXGPNBOEU-DNVCBOLYSA-N 1 3 358.486 2.474 20 0 FEADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000422806324 559607047 /nfs/dbraw/zinc/60/70/47/559607047.db2.gz HZJQVZBTTBMXCT-XMSQKQJNSA-N 1 3 370.516 2.496 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3CN)CC2)cc1 ZINC000422824776 559607657 /nfs/dbraw/zinc/60/76/57/559607657.db2.gz OJZLZWOWQQXXQN-HNAYVOBHSA-N 1 3 365.543 2.166 20 0 FEADHO O=C(CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000422844966 559608336 /nfs/dbraw/zinc/60/83/36/559608336.db2.gz NHWRAXWWURTQOO-PWRODBHTSA-N 1 3 370.541 2.236 20 0 FEADHO CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422896566 559610175 /nfs/dbraw/zinc/61/01/75/559610175.db2.gz AMLCLPOMLITPLM-AEFFLSMTSA-N 1 3 353.532 2.323 20 0 FEADHO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@H](C)C[C@H](C)N)c1 ZINC000422904558 559610517 /nfs/dbraw/zinc/61/05/17/559610517.db2.gz GYHVBLRJKCAHNU-NWDGAFQWSA-N 1 3 372.307 2.293 20 0 FEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000422906312 559610804 /nfs/dbraw/zinc/61/08/04/559610804.db2.gz JOHYKSGPFFXFSQ-UTKZUKDTSA-N 1 3 368.525 2.026 20 0 FEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000423012588 559615093 /nfs/dbraw/zinc/61/50/93/559615093.db2.gz LDBVRPZVGWLUCV-KBXCAEBGSA-N 1 3 369.506 2.086 20 0 FEADHO C[C@H](CCCC[NH3+])[NH2+]CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000423113383 559619693 /nfs/dbraw/zinc/61/96/93/559619693.db2.gz YQEGFXGVVCLLRW-LLVKDONJSA-N 1 3 368.330 2.379 20 0 FEADHO CC(C)(CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)S(C)(=O)=O ZINC000423190950 559622391 /nfs/dbraw/zinc/62/23/91/559622391.db2.gz SEXMCWUQKSPLCZ-QAPCUYQASA-N 1 3 352.500 2.045 20 0 FEADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000423304259 559624917 /nfs/dbraw/zinc/62/49/17/559624917.db2.gz YGNJMURMUDMSJE-KGLIPLIRSA-N 1 3 351.472 2.004 20 0 FEADHO COc1cc2c(cc1F)CC[C@@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423392319 559627640 /nfs/dbraw/zinc/62/76/40/559627640.db2.gz QCUKHJAZSFGKIY-GOEBONIOSA-N 1 3 361.383 2.247 20 0 FEADHO CC(C)[C@H](C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H](C)[NH3+] ZINC000423412511 559628214 /nfs/dbraw/zinc/62/82/14/559628214.db2.gz WXWCDSHOERDJAC-QAPCUYQASA-N 1 3 360.502 2.070 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423634715 559634591 /nfs/dbraw/zinc/63/45/91/559634591.db2.gz CZXXMRWDNLJDAM-IBGZPJMESA-N 1 3 373.476 2.151 20 0 FEADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423750301 559638291 /nfs/dbraw/zinc/63/82/91/559638291.db2.gz XMIIOIODSJCZPI-VQTJNVASSA-N 1 3 372.557 2.341 20 0 FEADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423750301 559638292 /nfs/dbraw/zinc/63/82/92/559638292.db2.gz XMIIOIODSJCZPI-VQTJNVASSA-N 1 3 372.557 2.341 20 0 FEADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000423904969 559644780 /nfs/dbraw/zinc/64/47/80/559644780.db2.gz YJNWSYXYVVDHJJ-RTBURBONSA-N 1 3 357.498 2.338 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCN(C)C(=O)C2)CC1 ZINC000424193781 559657270 /nfs/dbraw/zinc/65/72/70/559657270.db2.gz WHJVTKYCWCYJEX-SFHVURJKSA-N 1 3 358.530 2.177 20 0 FEADHO CCOCc1ccc(CNC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424293687 559660949 /nfs/dbraw/zinc/66/09/49/559660949.db2.gz PNIBKZJDAUJZJN-KRWDZBQOSA-N 1 3 359.514 2.303 20 0 FEADHO C[C@H](NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000424475406 559666693 /nfs/dbraw/zinc/66/66/93/559666693.db2.gz JIYCQTPNSGHVFJ-OJAHFUOMSA-N 1 3 356.514 2.290 20 0 FEADHO C[N@H+]1C[C@@H]2CCCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)[C@@H]2C1 ZINC000425652876 559713211 /nfs/dbraw/zinc/71/32/11/559713211.db2.gz MUMBNIZAZWPIKY-SLFFLAALSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CCN1C1CCN(C)CC1 ZINC000426940668 559744537 /nfs/dbraw/zinc/74/45/37/559744537.db2.gz QFARZELQBXIWMM-GOSISDBHSA-N 1 3 364.578 2.125 20 0 FEADHO C[NH+](C)CC1(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CCCCC1 ZINC000427456372 559755799 /nfs/dbraw/zinc/75/57/99/559755799.db2.gz GUSQOKXYCJNHEJ-FQEVSTJZSA-N 1 3 373.541 2.382 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000430573790 559823355 /nfs/dbraw/zinc/82/33/55/559823355.db2.gz RGHSYFPWYUVATD-NRFANRHFSA-N 1 3 374.573 2.335 20 0 FEADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430576790 559823377 /nfs/dbraw/zinc/82/33/77/559823377.db2.gz XTAOLKBEUUAPCA-LJQANCHMSA-N 1 3 364.509 2.170 20 0 FEADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000430919813 559830380 /nfs/dbraw/zinc/83/03/80/559830380.db2.gz SBMAHGOSTVXEIY-HNNXBMFYSA-N 1 3 364.921 2.048 20 0 FEADHO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N2CCC([C@H](C)[NH3+])CC2)c1 ZINC000430953847 559831339 /nfs/dbraw/zinc/83/13/39/559831339.db2.gz CWEVJBSLSPXWDA-SOUVJXGZSA-N 1 3 363.502 2.329 20 0 FEADHO CN(C)CCn1ncc(C(=O)N2CCC([NH+](C)C)CC2)c1-c1ccccc1 ZINC000431926601 559848700 /nfs/dbraw/zinc/84/87/00/559848700.db2.gz WEDUKHNHDAMWBC-UHFFFAOYSA-N 1 3 369.513 2.278 20 0 FEADHO C[C@@H](CNS(=O)(=O)c1ccc(CN(C)C)cc1)C[NH+]1CCCCC1 ZINC000432874773 559866814 /nfs/dbraw/zinc/86/68/14/559866814.db2.gz FBZAYUQNZLWTHB-INIZCTEOSA-N 1 3 353.532 2.149 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NCc2ccc(C[NH+](C)C)cc2)CCCO1 ZINC000433287488 559875893 /nfs/dbraw/zinc/87/58/93/559875893.db2.gz LMGXWDPADISPMG-KRWDZBQOSA-N 1 3 362.518 2.048 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433399656 559880019 /nfs/dbraw/zinc/88/00/19/559880019.db2.gz KBZBMIYUYYUAQO-RBUKOAKNSA-N 1 3 368.566 2.155 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433399656 559880020 /nfs/dbraw/zinc/88/00/20/559880020.db2.gz KBZBMIYUYYUAQO-RBUKOAKNSA-N 1 3 368.566 2.155 20 0 FEADHO CCc1ccnc(CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000438285058 559976649 /nfs/dbraw/zinc/97/66/49/559976649.db2.gz RGLFWGPYVMORSH-LJQANCHMSA-N 1 3 361.534 2.202 20 0 FEADHO CCc1ccnc(CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000438285058 559976650 /nfs/dbraw/zinc/97/66/50/559976650.db2.gz RGLFWGPYVMORSH-LJQANCHMSA-N 1 3 361.534 2.202 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000441312684 560028551 /nfs/dbraw/zinc/02/85/51/560028551.db2.gz QJUVXVACSHCWAU-IRXDYDNUSA-N 1 3 366.550 2.144 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000443060685 560068539 /nfs/dbraw/zinc/06/85/39/560068539.db2.gz PPMNNSXHLSLIQH-HOTGVXAUSA-N 1 3 363.502 2.112 20 0 FEADHO CN(CCOc1ccc(Cl)cc1)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443079376 560069727 /nfs/dbraw/zinc/06/97/27/560069727.db2.gz ZGSCNFNMNFJFRC-HNNXBMFYSA-N 1 3 353.894 2.238 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000446370977 560145079 /nfs/dbraw/zinc/14/50/79/560145079.db2.gz NQZGZWNHMGWCSL-DBXWQHBBSA-N 1 3 363.546 2.432 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446621820 560148667 /nfs/dbraw/zinc/14/86/67/560148667.db2.gz XVHKHXBAYLZEAI-UHFFFAOYSA-N 1 3 350.482 2.383 20 0 FEADHO COc1ccc([C@@H](CCn2cncn2)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000446750449 560151140 /nfs/dbraw/zinc/15/11/40/560151140.db2.gz GRHSNNOBIACLID-OXJNMPFZSA-N 1 3 355.486 2.492 20 0 FEADHO COc1ccc([C@@H](CCn2cncn2)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000446750449 560151141 /nfs/dbraw/zinc/15/11/41/560151141.db2.gz GRHSNNOBIACLID-OXJNMPFZSA-N 1 3 355.486 2.492 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCCCN2CCO)CC1 ZINC000449398614 560229219 /nfs/dbraw/zinc/22/92/19/560229219.db2.gz YIGCLVHVMPVYPO-OAQYLSRUSA-N 1 3 374.573 2.155 20 0 FEADHO COC[C@]1(CO)CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000449701581 560237509 /nfs/dbraw/zinc/23/75/09/560237509.db2.gz SZTMBHGZJNSUKX-OAQYLSRUSA-N 1 3 361.530 2.048 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CCNC(=O)CC3)CC2)C[C@@H](C)O1 ZINC000450476136 560263411 /nfs/dbraw/zinc/26/34/11/560263411.db2.gz NEUSFPUITNPHDQ-ZHALLVOQSA-N 1 3 351.535 2.114 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)c1ccccc1 ZINC000451354055 560302193 /nfs/dbraw/zinc/30/21/93/560302193.db2.gz QHAUZGLWCFCPID-XRXFAXGQSA-N 1 3 373.541 2.421 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)c1ccccc1 ZINC000451354055 560302194 /nfs/dbraw/zinc/30/21/94/560302194.db2.gz QHAUZGLWCFCPID-XRXFAXGQSA-N 1 3 373.541 2.421 20 0 FEADHO CO[C@@H]1C[C@H](NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1(C)C ZINC000451486822 560309824 /nfs/dbraw/zinc/30/98/24/560309824.db2.gz FCVFXVLLTVVXMX-VQTJNVASSA-N 1 3 373.541 2.479 20 0 FEADHO CCO[C@@H]1CCN(CCOCC[N@@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451552204 560314394 /nfs/dbraw/zinc/31/43/94/560314394.db2.gz YJWVKWCNJNEHNP-JVSBHGNQSA-N 1 3 356.551 2.497 20 0 FEADHO CCO[C@@H]1CCN(CCOCC[N@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451552204 560314395 /nfs/dbraw/zinc/31/43/95/560314395.db2.gz YJWVKWCNJNEHNP-JVSBHGNQSA-N 1 3 356.551 2.497 20 0 FEADHO CCO[C@@H]1CC[N@@H+](CCOCCN2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451552204 560314396 /nfs/dbraw/zinc/31/43/96/560314396.db2.gz YJWVKWCNJNEHNP-JVSBHGNQSA-N 1 3 356.551 2.497 20 0 FEADHO CCO[C@@H]1CC[N@H+](CCOCCN2CC[C@H](OCC)[C@H](C)C2)C[C@@H]1C ZINC000451552204 560314397 /nfs/dbraw/zinc/31/43/97/560314397.db2.gz YJWVKWCNJNEHNP-JVSBHGNQSA-N 1 3 356.551 2.497 20 0 FEADHO CC[C@H](C)N1CCN([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000451843441 560331903 /nfs/dbraw/zinc/33/19/03/560331903.db2.gz NVWFYLLTQHGUAK-QKNQBKEWSA-N 1 3 372.557 2.182 20 0 FEADHO CC[C@H](C)N1CCN([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000451843441 560331904 /nfs/dbraw/zinc/33/19/04/560331904.db2.gz NVWFYLLTQHGUAK-QKNQBKEWSA-N 1 3 372.557 2.182 20 0 FEADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453592586 560390162 /nfs/dbraw/zinc/39/01/62/560390162.db2.gz KLUCEHVZHHBGDL-KXBFYZLASA-N 1 3 372.513 2.165 20 0 FEADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3CCCN3CCCO)ccc21 ZINC000455835260 560496950 /nfs/dbraw/zinc/49/69/50/560496950.db2.gz ABAWGFHXVQWMGW-MJGOQNOKSA-N 1 3 360.502 2.204 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(n1)CCC2 ZINC000455884144 560499036 /nfs/dbraw/zinc/49/90/36/560499036.db2.gz MOCJRDJDKRTZIF-KRWDZBQOSA-N 1 3 359.518 2.450 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(n1)CCC2 ZINC000455884144 560499037 /nfs/dbraw/zinc/49/90/37/560499037.db2.gz MOCJRDJDKRTZIF-KRWDZBQOSA-N 1 3 359.518 2.450 20 0 FEADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)C1 ZINC000457477264 560569191 /nfs/dbraw/zinc/56/91/91/560569191.db2.gz BJNOXBAVAOJRRM-CTNGQTDRSA-N 1 3 356.514 2.388 20 0 FEADHO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)C1 ZINC000457477264 560569192 /nfs/dbraw/zinc/56/91/92/560569192.db2.gz BJNOXBAVAOJRRM-CTNGQTDRSA-N 1 3 356.514 2.388 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC[C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000458163445 560606262 /nfs/dbraw/zinc/60/62/62/560606262.db2.gz JGYONHQDZJNSJE-HXUWFJFHSA-N 1 3 372.557 2.355 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC[C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000458163445 560606264 /nfs/dbraw/zinc/60/62/64/560606264.db2.gz JGYONHQDZJNSJE-HXUWFJFHSA-N 1 3 372.557 2.355 20 0 FEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000460276870 560740520 /nfs/dbraw/zinc/74/05/20/560740520.db2.gz PQIWZDZZRVVPCL-INIZCTEOSA-N 1 3 356.555 2.295 20 0 FEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000460276870 560740521 /nfs/dbraw/zinc/74/05/21/560740521.db2.gz PQIWZDZZRVVPCL-INIZCTEOSA-N 1 3 356.555 2.295 20 0 FEADHO CC1CC[NH+](CCCCNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000465600173 560869382 /nfs/dbraw/zinc/86/93/82/560869382.db2.gz NDEVEHGLOHZALS-IBGZPJMESA-N 1 3 368.566 2.251 20 0 FEADHO COCCCN(C)CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000465750238 560872144 /nfs/dbraw/zinc/87/21/44/560872144.db2.gz IMXLJXCRBDWKDY-IAGOWNOFSA-N 1 3 356.555 2.010 20 0 FEADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000465876654 560874722 /nfs/dbraw/zinc/87/47/22/560874722.db2.gz NPBIQRPBIURGRM-LJQANCHMSA-N 1 3 374.529 2.445 20 0 FEADHO CCN1CCC[C@H]1CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000465876653 560874747 /nfs/dbraw/zinc/87/47/47/560874747.db2.gz NPBIQRPBIURGRM-IBGZPJMESA-N 1 3 374.529 2.445 20 0 FEADHO CC[C@@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)N(CC)CC ZINC000468814511 560939502 /nfs/dbraw/zinc/93/95/02/560939502.db2.gz DAEDKZVQIMGWTA-OTWHNJEPSA-N 1 3 352.567 2.124 20 0 FEADHO CC[C@@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)N(CC)CC ZINC000468814511 560939503 /nfs/dbraw/zinc/93/95/03/560939503.db2.gz DAEDKZVQIMGWTA-OTWHNJEPSA-N 1 3 352.567 2.124 20 0 FEADHO CC[N@H+](CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1)C(C)C ZINC000469491107 560956232 /nfs/dbraw/zinc/95/62/32/560956232.db2.gz BTJRGMKWUSDBOK-UHFFFAOYSA-N 1 3 360.546 2.354 20 0 FEADHO CC[N@@H+](CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1)C(C)C ZINC000469491107 560956233 /nfs/dbraw/zinc/95/62/33/560956233.db2.gz BTJRGMKWUSDBOK-UHFFFAOYSA-N 1 3 360.546 2.354 20 0 FEADHO CCCOc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OCC ZINC000470003881 560971700 /nfs/dbraw/zinc/97/17/00/560971700.db2.gz ODNBFTGNPXRCSA-QGZVFWFLSA-N 1 3 363.502 2.161 20 0 FEADHO Cc1c([C@@H](C)N[C@H](C)CC[NH+]2CCN(C)CC2)nnn1-c1ccccc1 ZINC000471585946 561008018 /nfs/dbraw/zinc/00/80/18/561008018.db2.gz BDXLZYYAHLQJSD-IAGOWNOFSA-N 1 3 356.518 2.252 20 0 FEADHO C[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C1CC1 ZINC000471834265 561012665 /nfs/dbraw/zinc/01/26/65/561012665.db2.gz SAIWUMIOUKUYGJ-YTQUADARSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@@H](CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C1CC1 ZINC000471834265 561012666 /nfs/dbraw/zinc/01/26/66/561012666.db2.gz SAIWUMIOUKUYGJ-YTQUADARSA-N 1 3 356.514 2.243 20 0 FEADHO CN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000472321749 561024342 /nfs/dbraw/zinc/02/43/42/561024342.db2.gz QXHQLVCWUMLJLZ-AZUAARDMSA-N 1 3 356.514 2.387 20 0 FEADHO CN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000472321749 561024343 /nfs/dbraw/zinc/02/43/43/561024343.db2.gz QXHQLVCWUMLJLZ-AZUAARDMSA-N 1 3 356.514 2.387 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000475930760 561108069 /nfs/dbraw/zinc/10/80/69/561108069.db2.gz QRWAWXWALXFHNG-NVXWUHKLSA-N 1 3 374.529 2.489 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000475974217 561108678 /nfs/dbraw/zinc/10/86/78/561108678.db2.gz RVNOPENDMIUJSG-MSOLQXFVSA-N 1 3 368.566 2.295 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000475974217 561108679 /nfs/dbraw/zinc/10/86/79/561108679.db2.gz RVNOPENDMIUJSG-MSOLQXFVSA-N 1 3 368.566 2.295 20 0 FEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCOC)CCN(C)C)C1 ZINC000477222992 561139689 /nfs/dbraw/zinc/13/96/89/561139689.db2.gz OLMZDRBKWRKVJZ-QGZVFWFLSA-N 1 3 356.555 2.107 20 0 FEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCOC)CCN(C)C)C1 ZINC000477222992 561139690 /nfs/dbraw/zinc/13/96/90/561139690.db2.gz OLMZDRBKWRKVJZ-QGZVFWFLSA-N 1 3 356.555 2.107 20 0 FEADHO CC(C)[C@H]1CNCCN1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000529318327 562368938 /nfs/dbraw/zinc/36/89/38/562368938.db2.gz SIKAXUJZXCOKMU-VQIMIIECSA-N 1 3 359.518 2.246 20 0 FEADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529349426 562370407 /nfs/dbraw/zinc/37/04/07/562370407.db2.gz LBWGFCJJKVAQGZ-OALUTQOASA-N 1 3 356.514 2.229 20 0 FEADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000529348957 562370456 /nfs/dbraw/zinc/37/04/56/562370456.db2.gz JSQHMOMFXVRQAB-IPMKNSEASA-N 1 3 354.498 2.187 20 0 FEADHO FC1(F)Oc2cccc(CCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2O1 ZINC000530215557 562402744 /nfs/dbraw/zinc/40/27/44/562402744.db2.gz HMXLXCMRKKABBB-QLFBSQMISA-N 1 3 354.397 2.297 20 0 FEADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000530754883 562422991 /nfs/dbraw/zinc/42/29/91/562422991.db2.gz WOCMJHCSTBBIDA-TXPKVOOTSA-N 1 3 362.518 2.074 20 0 FEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000530827250 562425338 /nfs/dbraw/zinc/42/53/38/562425338.db2.gz HNLVQLIXAOWAKW-LEWJYISDSA-N 1 3 370.541 2.484 20 0 FEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000530827250 562425339 /nfs/dbraw/zinc/42/53/39/562425339.db2.gz HNLVQLIXAOWAKW-LEWJYISDSA-N 1 3 370.541 2.484 20 0 FEADHO c1cc(N2CCN(CCC[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)ccn1 ZINC000534064445 562524650 /nfs/dbraw/zinc/52/46/50/562524650.db2.gz LMOQBZVREBRUFT-AQNXPRMDSA-N 1 3 356.514 2.141 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000669111233 567911301 /nfs/dbraw/zinc/91/13/01/567911301.db2.gz KPYJQBCTTAMTDW-YLJYHZDGSA-N 1 3 356.514 2.353 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3cc(C)c(C(=O)OC)[nH]3)CC2)CC1 ZINC000602700444 568017109 /nfs/dbraw/zinc/01/71/09/568017109.db2.gz WGNQBHCELOKKQI-UHFFFAOYSA-N 1 3 362.518 2.102 20 0 FEADHO C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000604161325 568218490 /nfs/dbraw/zinc/21/84/90/568218490.db2.gz YQXFGTMOYTWCHJ-LJQANCHMSA-N 1 3 374.529 2.013 20 0 FEADHO COCC[N@H+](C)CC[C@@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000604191242 568223700 /nfs/dbraw/zinc/22/37/00/568223700.db2.gz PVDPZLGOCMDZRJ-UYAOXDASSA-N 1 3 374.529 2.232 20 0 FEADHO COCC[N@@H+](C)CC[C@@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000604191242 568223701 /nfs/dbraw/zinc/22/37/01/568223701.db2.gz PVDPZLGOCMDZRJ-UYAOXDASSA-N 1 3 374.529 2.232 20 0 FEADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000563134941 568266932 /nfs/dbraw/zinc/26/69/32/568266932.db2.gz AOCIOVMJKFDYLU-LSDHHAIUSA-N 1 3 355.910 2.266 20 0 FEADHO CCC(CC)[C@@H](O)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000557597898 674456622 /nfs/dbraw/zinc/45/66/22/674456622.db2.gz YJHIOWHMEDSADP-IBGZPJMESA-N 1 3 353.551 2.096 20 0 FEADHO O=S1(=O)CC[C@@H](NCC[C@H]2CC[NH2+]C2)c2cc(Br)ccc21 ZINC000562956049 674827335 /nfs/dbraw/zinc/82/73/35/674827335.db2.gz ZPZZJQAHGOVAKE-BXUZGUMPSA-N 1 3 373.316 2.257 20 0 FEADHO CC[C@@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C[C@H](C)O1 ZINC000563373843 674879089 /nfs/dbraw/zinc/87/90/89/674879089.db2.gz LJOQSOHPEMQVTI-QFBILLFUSA-N 1 3 351.535 2.209 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@@H](OC(C)C)C3)CC2)CC1 ZINC000563409230 674883913 /nfs/dbraw/zinc/88/39/13/674883913.db2.gz WOHYWUMDFNPNKQ-IZAXUBKRSA-N 1 3 351.535 2.255 20 0 FEADHO CC[C@@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCCO1 ZINC000565204370 675102263 /nfs/dbraw/zinc/10/22/63/675102263.db2.gz MUFIAIMPORFSMB-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000083052825 670653767 /nfs/dbraw/zinc/65/37/67/670653767.db2.gz YFBAHWXXPBIYCY-SJORKVTESA-N 1 3 351.926 2.331 20 0 FEADHO CCOCC(C)(C)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000570293815 670691699 /nfs/dbraw/zinc/69/16/99/670691699.db2.gz XOZFISRPRODNBY-UHFFFAOYSA-N 1 3 353.551 2.362 20 0 FEADHO CCOC(=O)CC(C)(C)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000817414305 675130718 /nfs/dbraw/zinc/13/07/18/675130718.db2.gz WDCVHZJMGZTAKT-UHFFFAOYSA-N 1 3 353.551 2.458 20 0 FEADHO CCOC(=O)CC(C)(C)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000817414305 675130719 /nfs/dbraw/zinc/13/07/19/675130719.db2.gz WDCVHZJMGZTAKT-UHFFFAOYSA-N 1 3 353.551 2.458 20 0 FEADHO CCCCCCN(C)CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000111589078 670858890 /nfs/dbraw/zinc/85/88/90/670858890.db2.gz QLMVMFNHBNUTAH-UHFFFAOYSA-N 1 3 352.567 2.173 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)C(C)(C)CO)CC2)CC1 ZINC000571535751 670889070 /nfs/dbraw/zinc/88/90/70/670889070.db2.gz UQXKLKIBOBEVSX-UHFFFAOYSA-N 1 3 353.551 2.096 20 0 FEADHO Cc1cc(C)cc(OC[C@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000574151133 671208463 /nfs/dbraw/zinc/20/84/63/671208463.db2.gz NNINYYRMCQVXAC-RBUKOAKNSA-N 1 3 350.503 2.134 20 0 FEADHO Cc1cc(C)cc(OC[C@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000574151133 671208465 /nfs/dbraw/zinc/20/84/65/671208465.db2.gz NNINYYRMCQVXAC-RBUKOAKNSA-N 1 3 350.503 2.134 20 0 FEADHO O[C@H](CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)Cc1cccc(Cl)c1 ZINC000574684195 671267928 /nfs/dbraw/zinc/26/79/28/671267928.db2.gz HQCHTKRKJSYDOD-OTWHNJEPSA-N 1 3 352.906 2.211 20 0 FEADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000817947120 675187789 /nfs/dbraw/zinc/18/77/89/675187789.db2.gz KSWKOSQOVOXQLQ-OAHLLOKOSA-N 1 3 361.511 2.289 20 0 FEADHO CN1CCN([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c2cccs2)CC1 ZINC000577049348 671413018 /nfs/dbraw/zinc/41/30/18/671413018.db2.gz SUUDPEZAMTUBED-NCXUSEDFSA-N 1 3 362.587 2.499 20 0 FEADHO CN1CCN([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c2cccs2)CC1 ZINC000577049348 671413019 /nfs/dbraw/zinc/41/30/19/671413019.db2.gz SUUDPEZAMTUBED-NCXUSEDFSA-N 1 3 362.587 2.499 20 0 FEADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000580297121 671795866 /nfs/dbraw/zinc/79/58/66/671795866.db2.gz MVVSEBJGBKDSAG-MAUKXSAKSA-N 1 3 362.543 2.397 20 0 FEADHO C[C@H]1CC2(CN1CC(=O)NCCO[C@@H]1CCCC[C@H]1C)CC[NH2+]CC2 ZINC000580432931 671807119 /nfs/dbraw/zinc/80/71/19/671807119.db2.gz UEJYJOKZJYQFQF-FGTMMUONSA-N 1 3 351.535 2.162 20 0 FEADHO CC1CCN([C@H](CNC(=O)CCOC2C[NH2+]C2)c2cccs2)CC1 ZINC000581999822 671957480 /nfs/dbraw/zinc/95/74/80/671957480.db2.gz JSVFLVNVOWZRDG-MRXNPFEDSA-N 1 3 351.516 2.016 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(Br)cc1 ZINC000178562992 672392659 /nfs/dbraw/zinc/39/26/59/672392659.db2.gz MHRDWNIQKOKUHB-OAHLLOKOSA-N 1 3 353.308 2.380 20 0 FEADHO CC(C)(C)N1CCC([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)CC1 ZINC000180797501 672418344 /nfs/dbraw/zinc/41/83/44/672418344.db2.gz WBHCWNNIHIQMIZ-UHFFFAOYSA-N 1 3 367.506 2.103 20 0 FEADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C[C@H](C)O1 ZINC000589645902 672537472 /nfs/dbraw/zinc/53/74/72/672537472.db2.gz GUUXDRMNPHAAGR-HOTGVXAUSA-N 1 3 369.531 2.037 20 0 FEADHO C[N@H+](CCC(=O)N1CCCN(C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000684164135 672910962 /nfs/dbraw/zinc/91/09/62/672910962.db2.gz SOLODUAJSTUENJ-IBGZPJMESA-N 1 3 351.535 2.354 20 0 FEADHO C[N@@H+](CCC(=O)N1CCCN(C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000684164135 672910964 /nfs/dbraw/zinc/91/09/64/672910964.db2.gz SOLODUAJSTUENJ-IBGZPJMESA-N 1 3 351.535 2.354 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC1CCS(=O)(=O)CC1 ZINC000291272983 672994758 /nfs/dbraw/zinc/99/47/58/672994758.db2.gz YBKPCEDOXDNWSB-UHFFFAOYSA-N 1 3 354.516 2.074 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)CSCC[NH+](C)C)cc2)CC1 ZINC000730274566 673268532 /nfs/dbraw/zinc/26/85/32/673268532.db2.gz LWMPGZLAOGBVQA-UHFFFAOYSA-N 1 3 350.532 2.062 20 0 FEADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)N3CCCCC3)CC2)C[C@@H](C)O1 ZINC000543844541 673674036 /nfs/dbraw/zinc/67/40/36/673674036.db2.gz SBEALLONSKKKII-QZTJIDSGSA-N 1 3 351.535 2.210 20 0 FEADHO CCOC(=O)c1[nH]c(C)c(CN2CCC(OCC[NH+](C)C)CC2)c1C ZINC000600120056 673742254 /nfs/dbraw/zinc/74/22/54/673742254.db2.gz ZALAFDMTSANWGE-UHFFFAOYSA-N 1 3 351.491 2.351 20 0 FEADHO CN1CCC([NH+]2CCC(NC[C@@H](O)c3c(F)cccc3F)CC2)CC1 ZINC000818989033 675250326 /nfs/dbraw/zinc/25/03/26/675250326.db2.gz YAIFCBZZUPVKJQ-GOSISDBHSA-N 1 3 353.457 2.146 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)COc2ccccc2Cl)CCCO1 ZINC000567700078 675314074 /nfs/dbraw/zinc/31/40/74/675314074.db2.gz DYNJJFJBCCYXLG-HZPDHXFCSA-N 1 3 356.894 2.170 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccccc2Cl)CCCO1 ZINC000567700078 675314078 /nfs/dbraw/zinc/31/40/78/675314078.db2.gz DYNJJFJBCCYXLG-HZPDHXFCSA-N 1 3 356.894 2.170 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)C[C@H](C)O)CC2)CC1 ZINC000568427928 675373162 /nfs/dbraw/zinc/37/31/62/675373162.db2.gz VHDYXHUNEXPDHS-INIZCTEOSA-N 1 3 353.551 2.096 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(-c2cccs2)on1 ZINC000617503920 676288997 /nfs/dbraw/zinc/28/89/97/676288997.db2.gz APPOMVCDAQQMRF-ZDUSSCGKSA-N 1 3 350.488 2.405 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(-c2cccs2)on1 ZINC000617503920 676288999 /nfs/dbraw/zinc/28/89/99/676288999.db2.gz APPOMVCDAQQMRF-ZDUSSCGKSA-N 1 3 350.488 2.405 20 0 FEADHO Cc1nc(CC2CC2)sc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507507 676289559 /nfs/dbraw/zinc/28/95/59/676289559.db2.gz ZHYVZGKYMDBWED-ZDUSSCGKSA-N 1 3 352.548 2.406 20 0 FEADHO Cc1nc(CC2CC2)sc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507507 676289561 /nfs/dbraw/zinc/28/95/61/676289561.db2.gz ZHYVZGKYMDBWED-ZDUSSCGKSA-N 1 3 352.548 2.406 20 0 FEADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000618988577 676359037 /nfs/dbraw/zinc/35/90/37/676359037.db2.gz BWXOSCYAELNPMK-GOSISDBHSA-N 1 3 351.535 2.258 20 0 FEADHO CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000622186111 676495771 /nfs/dbraw/zinc/49/57/71/676495771.db2.gz ZLYOFXAJDACARA-ROUUACIJSA-N 1 3 351.535 2.353 20 0 FEADHO CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000622186111 676495772 /nfs/dbraw/zinc/49/57/72/676495772.db2.gz ZLYOFXAJDACARA-ROUUACIJSA-N 1 3 351.535 2.353 20 0 FEADHO CCC[C@@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)OCC ZINC000623564481 676540918 /nfs/dbraw/zinc/54/09/18/676540918.db2.gz FDOVFFBCJGQROP-SFHVURJKSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(OC(C)(C)C)n1 ZINC000628050919 676787107 /nfs/dbraw/zinc/78/71/07/676787107.db2.gz QJBMGBHBZAZPOH-HNNXBMFYSA-N 1 3 350.507 2.261 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(OC(C)(C)C)n1 ZINC000628050919 676787109 /nfs/dbraw/zinc/78/71/09/676787109.db2.gz QJBMGBHBZAZPOH-HNNXBMFYSA-N 1 3 350.507 2.261 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000629419598 676854193 /nfs/dbraw/zinc/85/41/93/676854193.db2.gz PZFNYHMPXLSBGK-KSZLIROESA-N 1 3 351.535 2.351 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000629419598 676854197 /nfs/dbraw/zinc/85/41/97/676854197.db2.gz PZFNYHMPXLSBGK-KSZLIROESA-N 1 3 351.535 2.351 20 0 FEADHO CN(CCCNCc1ncc(Br)cc1Cl)CC[NH+](C)C ZINC000631180908 676936619 /nfs/dbraw/zinc/93/66/19/676936619.db2.gz XGHXPUVBMLQZFC-UHFFFAOYSA-N 1 3 363.731 2.471 20 0 FEADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CCC[NH+](C)C ZINC000632052370 676973153 /nfs/dbraw/zinc/97/31/53/676973153.db2.gz OBJFZKKXHAFYMB-LJQANCHMSA-N 1 3 367.559 2.112 20 0 FEADHO COC[C@]1(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCCCN1 ZINC000638086911 677139563 /nfs/dbraw/zinc/13/95/63/677139563.db2.gz XEUQJCIKPIDFSX-QUCCMNQESA-N 1 3 351.535 2.116 20 0 FEADHO CC(C)CC[NH+]1CCC(CNCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638720000 677149239 /nfs/dbraw/zinc/14/92/39/677149239.db2.gz CVIFVGSDVVQNER-UHFFFAOYSA-N 1 3 359.561 2.243 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000638728295 677149422 /nfs/dbraw/zinc/14/94/22/677149422.db2.gz MLVBYOUQLHVUIW-UHFFFAOYSA-N 1 3 351.535 2.389 20 0 FEADHO CN(C)C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)c1cccc(C(F)(F)F)c1 ZINC000638828303 677150710 /nfs/dbraw/zinc/15/07/10/677150710.db2.gz BPVMROVHOYAOJY-NEPJUHHUSA-N 1 3 353.335 2.407 20 0 FEADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NC/C=C\C[NH3+] ZINC000641865629 677216913 /nfs/dbraw/zinc/21/69/13/677216913.db2.gz ZLJPLKLDYDRPKV-ARJAWSKDSA-N 1 3 358.408 2.294 20 0 FEADHO O[C@H](C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000644524629 677245188 /nfs/dbraw/zinc/24/51/88/677245188.db2.gz UNZOQJDLQPFBPV-QGZVFWFLSA-N 1 3 359.436 2.097 20 0 FEADHO CCCN(C(=O)NC1CC[NH+](CCOC(C)C)CC1)[C@H]1CCN(C)C1 ZINC000645342162 677257907 /nfs/dbraw/zinc/25/79/07/677257907.db2.gz OBYZFGWAZQYMBI-SFHVURJKSA-N 1 3 354.539 2.002 20 0 FEADHO COc1cc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc(OC)c1O ZINC000650708738 677386974 /nfs/dbraw/zinc/38/69/74/677386974.db2.gz KNOUMZQDCFSDLI-JYJNAYRXSA-N 1 3 350.459 2.128 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655462485 677642023 /nfs/dbraw/zinc/64/20/23/677642023.db2.gz PVBWDLOFFCGHAN-DNVCBOLYSA-N 1 3 351.441 2.245 20 0 FEADHO CCc1csc(CC2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)n1 ZINC000656193559 677727307 /nfs/dbraw/zinc/72/73/07/677727307.db2.gz NAJKSKIHUAXEIK-MRXNPFEDSA-N 1 3 364.559 2.157 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H](CCF)C3)CC2)CC1 ZINC000660572389 678359114 /nfs/dbraw/zinc/35/91/14/678359114.db2.gz BVSXAXGERFAUOA-INIZCTEOSA-N 1 3 354.514 2.326 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662696539 678651975 /nfs/dbraw/zinc/65/19/75/678651975.db2.gz NHCANIZTZHAREK-KMFMINBZSA-N 1 3 355.404 2.480 20 0 FEADHO Cc1cnc([C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2CC2)s1 ZINC000664225277 678846388 /nfs/dbraw/zinc/84/63/88/678846388.db2.gz WGBRKOAIYJCBMW-BBRMVZONSA-N 1 3 367.563 2.474 20 0 FEADHO Cc1cnc([C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2CC2)s1 ZINC000664225277 678846390 /nfs/dbraw/zinc/84/63/90/678846390.db2.gz WGBRKOAIYJCBMW-BBRMVZONSA-N 1 3 367.563 2.474 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc(Cl)n1 ZINC000831880375 680056312 /nfs/dbraw/zinc/05/63/12/680056312.db2.gz CTUHLDKSPBORCL-HOTGVXAUSA-N 1 3 368.909 2.003 20 0 FEADHO Cc1ncsc1CN(C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001017134256 680070299 /nfs/dbraw/zinc/07/02/99/680070299.db2.gz WKEWXWNFXYUHSD-IXDOHACOSA-N 1 3 364.559 2.462 20 0 FEADHO Cc1ncsc1CN(C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001017134256 680070303 /nfs/dbraw/zinc/07/03/03/680070303.db2.gz WKEWXWNFXYUHSD-IXDOHACOSA-N 1 3 364.559 2.462 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccnc(Cl)c3)C2)CC[N@@H+]1C ZINC001018870449 680084400 /nfs/dbraw/zinc/08/44/00/680084400.db2.gz NWNVDIZFPYMKSR-HRCADAONSA-N 1 3 350.894 2.156 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccnc(Cl)c3)C2)CC[N@H+]1C ZINC001018870449 680084406 /nfs/dbraw/zinc/08/44/06/680084406.db2.gz NWNVDIZFPYMKSR-HRCADAONSA-N 1 3 350.894 2.156 20 0 FEADHO Cc1nc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC000983709008 680323167 /nfs/dbraw/zinc/32/31/67/680323167.db2.gz QZSBXWVZBKZJRI-RAEVTNRLSA-N 1 3 350.532 2.085 20 0 FEADHO Cc1nc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC000983709008 680323170 /nfs/dbraw/zinc/32/31/70/680323170.db2.gz QZSBXWVZBKZJRI-RAEVTNRLSA-N 1 3 350.532 2.085 20 0 FEADHO Cc1nc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC000996608431 680337496 /nfs/dbraw/zinc/33/74/96/680337496.db2.gz SMNNJNHAKRHQES-MLGOLLRUSA-N 1 3 350.532 2.181 20 0 FEADHO Cc1nc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC000996608431 680337499 /nfs/dbraw/zinc/33/74/99/680337499.db2.gz SMNNJNHAKRHQES-MLGOLLRUSA-N 1 3 350.532 2.181 20 0 FEADHO Cc1csc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000997787387 680366074 /nfs/dbraw/zinc/36/60/74/680366074.db2.gz YWKABZCPWQKVCA-GDBMZVCRSA-N 1 3 350.532 2.120 20 0 FEADHO Cc1csc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000997787387 680366078 /nfs/dbraw/zinc/36/60/78/680366078.db2.gz YWKABZCPWQKVCA-GDBMZVCRSA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3cnc(C)s3)C2)CC[N@@H+]1C ZINC000999203277 680398757 /nfs/dbraw/zinc/39/87/57/680398757.db2.gz ZYUIFVBIQYMIJJ-HYVNUMGLSA-N 1 3 350.532 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3cnc(C)s3)C2)CC[N@H+]1C ZINC000999203277 680398760 /nfs/dbraw/zinc/39/87/60/680398760.db2.gz ZYUIFVBIQYMIJJ-HYVNUMGLSA-N 1 3 350.532 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(CCc3ccns3)CC2)CC[N@@H+]1C ZINC001005415599 680574924 /nfs/dbraw/zinc/57/49/24/680574924.db2.gz MPFQGSRYQDGCFA-ZWKOTPCHSA-N 1 3 364.559 2.339 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(CCc3ccns3)CC2)CC[N@H+]1C ZINC001005415599 680574926 /nfs/dbraw/zinc/57/49/26/680574926.db2.gz MPFQGSRYQDGCFA-ZWKOTPCHSA-N 1 3 364.559 2.339 20 0 FEADHO Cc1cc([C@H](N)CC(=O)NCc2ccc(C[NH3+])cc2F)cc(Cl)n1 ZINC000846693543 681275857 /nfs/dbraw/zinc/27/58/57/681275857.db2.gz JPLNKOFDQWHOKT-OAHLLOKOSA-N 1 3 350.825 2.348 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000849077778 681649882 /nfs/dbraw/zinc/64/98/82/681649882.db2.gz MVBSCGGERFADQQ-HUUCEWRRSA-N 1 3 358.408 2.337 20 0 FEADHO CO[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000849099102 681653071 /nfs/dbraw/zinc/65/30/71/681653071.db2.gz JHFPZJBNCMQPAB-OAHLLOKOSA-N 1 3 358.408 2.342 20 0 FEADHO COc1ccc(NC(=[NH2+])NCCN2CCN(C)C(C)(C)C2)cc1Cl ZINC000849108560 681654430 /nfs/dbraw/zinc/65/44/30/681654430.db2.gz XVPNLOYWVXTGRG-UHFFFAOYSA-N 1 3 353.898 2.311 20 0 FEADHO C[C@@]1(CN2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)CC[NH2+]C1 ZINC000849352276 681693325 /nfs/dbraw/zinc/69/33/25/681693325.db2.gz KAZVMZRWBJJBMR-DOTOQJQBSA-N 1 3 361.452 2.499 20 0 FEADHO CN(C)C[C@H]1CC[N@H+](C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 ZINC000851771997 682129043 /nfs/dbraw/zinc/12/90/43/682129043.db2.gz UJFFAUDJALMCHH-HZPDHXFCSA-N 1 3 353.507 2.038 20 0 FEADHO CN(C)C[C@H]1CC[N@@H+](C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 ZINC000851771997 682129046 /nfs/dbraw/zinc/12/90/46/682129046.db2.gz UJFFAUDJALMCHH-HZPDHXFCSA-N 1 3 353.507 2.038 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(CCc3scnc3C)C2)CC[N@@H+]1C ZINC000969708042 682274314 /nfs/dbraw/zinc/27/43/14/682274314.db2.gz YWFYKTOGMXQVHZ-RRQGHBQHSA-N 1 3 364.559 2.161 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(CCc3scnc3C)C2)CC[N@H+]1C ZINC000969708042 682274315 /nfs/dbraw/zinc/27/43/15/682274315.db2.gz YWFYKTOGMXQVHZ-RRQGHBQHSA-N 1 3 364.559 2.161 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(Br)nn2C)C[C@H](C)O1 ZINC000785438241 682297574 /nfs/dbraw/zinc/29/75/74/682297574.db2.gz WJJPGAZSPTWKHI-BETUJISGSA-N 1 3 359.312 2.162 20 0 FEADHO Cc1cc(Cl)nc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000854041113 682506875 /nfs/dbraw/zinc/50/68/75/682506875.db2.gz KTHRCHACBYJNGJ-AWEZNQCLSA-N 1 3 355.914 2.115 20 0 FEADHO Cc1cc(Cl)nc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000854041113 682506876 /nfs/dbraw/zinc/50/68/76/682506876.db2.gz KTHRCHACBYJNGJ-AWEZNQCLSA-N 1 3 355.914 2.115 20 0 FEADHO C[NH+]1CCC(CN[C@@H]2CCc3ccc(Cl)nc32)(N2CCOCC2)CC1 ZINC000857917004 682924857 /nfs/dbraw/zinc/92/48/57/682924857.db2.gz VULAATYQXXPVLX-MRXNPFEDSA-N 1 3 364.921 2.109 20 0 FEADHO CS(=O)(=O)c1ccccc1CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925832447 683041583 /nfs/dbraw/zinc/04/15/83/683041583.db2.gz WCESHJWHESHDDX-MSOLQXFVSA-N 1 3 350.528 2.391 20 0 FEADHO CS(=O)(=O)c1ccccc1CCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925832447 683041588 /nfs/dbraw/zinc/04/15/88/683041588.db2.gz WCESHJWHESHDDX-MSOLQXFVSA-N 1 3 350.528 2.391 20 0 FEADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000796647984 683181007 /nfs/dbraw/zinc/18/10/07/683181007.db2.gz GOGJMXMLRFLMIG-VQHPVUNQSA-N 1 3 355.523 2.067 20 0 FEADHO CN1CC[C@@H](CNC(=O)NC[C@H]2CC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000921702529 683549174 /nfs/dbraw/zinc/54/91/74/683549174.db2.gz KJXUNIDRVHICRD-JJRVBVJISA-N 1 3 368.884 2.475 20 0 FEADHO CN1CC[C@@H](CNC(=O)NC[C@H]2CC[N@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000921702529 683549178 /nfs/dbraw/zinc/54/91/78/683549178.db2.gz KJXUNIDRVHICRD-JJRVBVJISA-N 1 3 368.884 2.475 20 0 FEADHO C[NH+](C)CCNC(=O)C1CCN(CCOc2ccc(F)c(Cl)c2)CC1 ZINC000929953643 683660291 /nfs/dbraw/zinc/66/02/91/683660291.db2.gz RCWJZVOKNQVPTH-UHFFFAOYSA-N 1 3 371.884 2.248 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000923201632 684239990 /nfs/dbraw/zinc/23/99/90/684239990.db2.gz PRETZKBVNIKUBN-XYTVBORESA-N 1 3 356.580 2.232 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000923201632 684239993 /nfs/dbraw/zinc/23/99/93/684239993.db2.gz PRETZKBVNIKUBN-XYTVBORESA-N 1 3 356.580 2.232 20 0 FEADHO Cc1ccc(Cl)c(OC[C@H](O)CN2CCC(OCCC[NH3+])CC2)c1 ZINC000923297370 684258453 /nfs/dbraw/zinc/25/84/53/684258453.db2.gz NZJDJSKJQDTINN-OAHLLOKOSA-N 1 3 356.894 2.218 20 0 FEADHO Brc1cccc2c1OCC[C@H]2NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923379949 684271726 /nfs/dbraw/zinc/27/17/26/684271726.db2.gz SAXOGBONILGZGL-SMDDNHRTSA-N 1 3 353.260 2.241 20 0 FEADHO [NH3+]CC[C@H]1CCN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000923480617 684287971 /nfs/dbraw/zinc/28/79/71/684287971.db2.gz ARVUTHARERKEBZ-BBRMVZONSA-N 1 3 353.413 2.454 20 0 FEADHO C[C@@H]1CN(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC[C@H]1C[NH3+] ZINC000923502344 684293700 /nfs/dbraw/zinc/29/37/00/684293700.db2.gz BHWCUKBGZNNRQS-HIFRSBDPSA-N 1 3 355.429 2.163 20 0 FEADHO C[C@@H]1CN(CC(=O)N(C)Cc2ccccc2Br)CC[C@@H]1C[NH3+] ZINC000923502624 684294113 /nfs/dbraw/zinc/29/41/13/684294113.db2.gz CUHXPLSACVCQFM-ZIAGYGMSSA-N 1 3 368.319 2.324 20 0 FEADHO C[C@@H]1C[C@H](N(C)S(=O)(=O)[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000923617150 684315816 /nfs/dbraw/zinc/31/58/16/684315816.db2.gz NMOWDOWVZCGBER-BHIYHBOVSA-N 1 3 365.543 2.053 20 0 FEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc(N3CCCS3(=O)=O)c(F)c2)C1 ZINC000925646926 684575851 /nfs/dbraw/zinc/57/58/51/684575851.db2.gz WRPMDPAHFYTEIV-GJZGRUSLSA-N 1 3 369.506 2.361 20 0 FEADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000925639893 684575861 /nfs/dbraw/zinc/57/58/61/684575861.db2.gz OEDKPRSLBBAXNY-HOTGVXAUSA-N 1 3 351.516 2.222 20 0 FEADHO CC(C)(C)OC(=O)N1[C@@H](C[NH2+]C[C@H]2CCN(C3CC3)C2)COC1(C)C ZINC000876928652 686296279 /nfs/dbraw/zinc/29/62/79/686296279.db2.gz AQLMHQCWEQMTJF-ZBFHGGJFSA-N 1 3 353.507 2.432 20 0 FEADHO CC(C)(C)OC(=O)N1[C@@H](CNC[C@H]2CC[N@@H+](C3CC3)C2)COC1(C)C ZINC000876928652 686296282 /nfs/dbraw/zinc/29/62/82/686296282.db2.gz AQLMHQCWEQMTJF-ZBFHGGJFSA-N 1 3 353.507 2.432 20 0 FEADHO CC(C)(C)OC(=O)N1[C@@H](CNC[C@H]2CC[N@H+](C3CC3)C2)COC1(C)C ZINC000876928652 686296291 /nfs/dbraw/zinc/29/62/91/686296291.db2.gz AQLMHQCWEQMTJF-ZBFHGGJFSA-N 1 3 353.507 2.432 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1(C)C ZINC000877301679 686350477 /nfs/dbraw/zinc/35/04/77/686350477.db2.gz ZLFJURIGYBVNHD-UZLBHIALSA-N 1 3 351.535 2.386 20 0 FEADHO [NH3+]C[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1C(F)(F)F ZINC000877359246 686362628 /nfs/dbraw/zinc/36/26/28/686362628.db2.gz GKJFOCUBWSOULZ-HOTGVXAUSA-N 1 3 355.404 2.492 20 0 FEADHO C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F)N(C)Cc1ccccc1 ZINC000891537397 689074851 /nfs/dbraw/zinc/07/48/51/689074851.db2.gz BSWUBHJHOQCUIB-GDBMZVCRSA-N 1 3 354.445 2.051 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H]2CCCC[N@H+](C)C2)o1 ZINC000897545787 690037168 /nfs/dbraw/zinc/03/71/68/690037168.db2.gz SVORZUNNQVMFSK-QGZVFWFLSA-N 1 3 350.507 2.393 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)o1 ZINC000897545787 690037172 /nfs/dbraw/zinc/03/71/72/690037172.db2.gz SVORZUNNQVMFSK-QGZVFWFLSA-N 1 3 350.507 2.393 20 0 FEADHO Clc1ccc(OC2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)nc1 ZINC000903779768 690972231 /nfs/dbraw/zinc/97/22/31/690972231.db2.gz AELRHNDXTZRTIT-SJLPKXTDSA-N 1 3 351.878 2.347 20 0 FEADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(CN)ncn3)C[C@@H]21 ZINC001165020272 721807708 /nfs/dbraw/zinc/80/77/08/721807708.db2.gz DSLKHYZXQGLIBM-ZYSHUDEJSA-N 1 3 352.486 2.067 20 0 FEADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(CN)ncn3)C[C@@H]21 ZINC001165020272 721807710 /nfs/dbraw/zinc/80/77/10/721807710.db2.gz DSLKHYZXQGLIBM-ZYSHUDEJSA-N 1 3 352.486 2.067 20 0 FEADHO COc1cc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1C ZINC000050800290 540414516 /nfs/dbraw/zinc/41/45/16/540414516.db2.gz XYVDYUJFWOOHKT-UHFFFAOYSA-N 1 3 359.514 2.221 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3cncn3-c3ccccc3)CC2)CC1 ZINC000050801663 540414948 /nfs/dbraw/zinc/41/49/48/540414948.db2.gz PYHIVZAYXFOMCF-UHFFFAOYSA-N 1 3 367.497 2.161 20 0 FEADHO COc1cccc(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000051758760 540442495 /nfs/dbraw/zinc/44/24/95/540442495.db2.gz KIFGAOGFNBVRGF-UHFFFAOYSA-N 1 3 374.529 2.096 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1 ZINC000072639487 541843940 /nfs/dbraw/zinc/84/39/40/541843940.db2.gz LIWDPLYRFBVRRU-RBUKOAKNSA-N 1 3 372.513 2.162 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000041642384 205091260 /nfs/dbraw/zinc/09/12/60/205091260.db2.gz FIBBXQUIEPZMJC-IBGZPJMESA-N 1 3 374.529 2.313 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)CC3CC[NH+](C)CC3)CC2)c1 ZINC000073385314 541948319 /nfs/dbraw/zinc/94/83/19/541948319.db2.gz MAGHZEISSXLUJP-UHFFFAOYSA-N 1 3 372.557 2.307 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1 ZINC000073621931 541976648 /nfs/dbraw/zinc/97/66/48/541976648.db2.gz IAHMNBNRGQTOQW-ZWKOTPCHSA-N 1 3 360.502 2.005 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c1 ZINC000073621931 541976650 /nfs/dbraw/zinc/97/66/50/541976650.db2.gz IAHMNBNRGQTOQW-ZWKOTPCHSA-N 1 3 360.502 2.005 20 0 FEADHO CCN1CCCC[C@H]1CNC(=O)N1CCC(OCC[NH+](CC)CC)CC1 ZINC000074169444 542047237 /nfs/dbraw/zinc/04/72/37/542047237.db2.gz XTIVZOFMZMSPLX-SFHVURJKSA-N 1 3 368.566 2.393 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000074863244 542129939 /nfs/dbraw/zinc/12/99/39/542129939.db2.gz XUCFDAUZTVJVRN-RTBURBONSA-N 1 3 366.550 2.003 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000074863244 542129943 /nfs/dbraw/zinc/12/99/43/542129943.db2.gz XUCFDAUZTVJVRN-RTBURBONSA-N 1 3 366.550 2.003 20 0 FEADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000075158807 542155600 /nfs/dbraw/zinc/15/56/00/542155600.db2.gz PVORILWSKWNZAK-IBGZPJMESA-N 1 3 364.578 2.316 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000077800271 542422096 /nfs/dbraw/zinc/42/20/96/542422096.db2.gz HTQJGNSOITWLJH-GOSISDBHSA-N 1 3 360.502 2.007 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000077800271 542422098 /nfs/dbraw/zinc/42/20/98/542422098.db2.gz HTQJGNSOITWLJH-GOSISDBHSA-N 1 3 360.502 2.007 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000077878443 542429850 /nfs/dbraw/zinc/42/98/50/542429850.db2.gz YVSHWDZGJXYVQS-DLBZAZTESA-N 1 3 352.910 2.331 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)[C@H](C)C1 ZINC000551704539 674159139 /nfs/dbraw/zinc/15/91/39/674159139.db2.gz XWTSOYVPHDKGBS-APWZRJJASA-N 1 3 368.543 2.317 20 0 FEADHO Cc1cnc(N(C)C[C@@H]2CCCN(C)C2)nc1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000085687071 542731001 /nfs/dbraw/zinc/73/10/01/542731001.db2.gz ORUGUAHWQIIKBQ-RTBURBONSA-N 1 3 374.577 2.341 20 0 FEADHO Cc1cnc(N(C)C[C@@H]2CCCN(C)C2)nc1N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000085687071 542731003 /nfs/dbraw/zinc/73/10/03/542731003.db2.gz ORUGUAHWQIIKBQ-RTBURBONSA-N 1 3 374.577 2.341 20 0 FEADHO CC(C)[NH+](CCCNC(=O)N1CCC[C@H]1CN1CCC[C@@H]1CO)C(C)C ZINC000085417674 542725825 /nfs/dbraw/zinc/72/58/25/542725825.db2.gz GWCBWZJLRYVOQU-RBUKOAKNSA-N 1 3 368.566 2.126 20 0 FEADHO C[C@@H](CN1CCCCC1)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093134926 542910431 /nfs/dbraw/zinc/91/04/31/542910431.db2.gz OMANPHSATNUXMD-KRWDZBQOSA-N 1 3 359.518 2.472 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000097177075 543006629 /nfs/dbraw/zinc/00/66/29/543006629.db2.gz KGMZIXHRERUYOY-QGZVFWFLSA-N 1 3 368.591 2.379 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000097177075 543006633 /nfs/dbraw/zinc/00/66/33/543006633.db2.gz KGMZIXHRERUYOY-QGZVFWFLSA-N 1 3 368.591 2.379 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC1CCN(C)CC1 ZINC000101771414 543044477 /nfs/dbraw/zinc/04/44/77/543044477.db2.gz LNGLHXFXDWXJMT-IBGZPJMESA-N 1 3 359.518 2.172 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC1CCN(C)CC1 ZINC000101771414 543044479 /nfs/dbraw/zinc/04/44/79/543044479.db2.gz LNGLHXFXDWXJMT-IBGZPJMESA-N 1 3 359.518 2.172 20 0 FEADHO CC(C)[C@H](C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)N1CCCCC1 ZINC000104345950 543129159 /nfs/dbraw/zinc/12/91/59/543129159.db2.gz FSBPLDQZSHBODE-HXUWFJFHSA-N 1 3 364.578 2.172 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000111807031 543416507 /nfs/dbraw/zinc/41/65/07/543416507.db2.gz IRBHMYMPTRQRBM-FQEVSTJZSA-N 1 3 374.529 2.192 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000111815065 543417673 /nfs/dbraw/zinc/41/76/73/543417673.db2.gz JCPHRMZALFQDCF-HXUWFJFHSA-N 1 3 374.529 2.192 20 0 FEADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000112916956 543467688 /nfs/dbraw/zinc/46/76/88/543467688.db2.gz MGGJLHKKACNVAB-FPOVZHCZSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000112916956 543467690 /nfs/dbraw/zinc/46/76/90/543467690.db2.gz MGGJLHKKACNVAB-FPOVZHCZSA-N 1 3 372.557 2.041 20 0 FEADHO Cc1noc(C)c1[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000113974192 543500079 /nfs/dbraw/zinc/50/00/79/543500079.db2.gz NIUVVVPYMCDRBH-CYBMUJFWSA-N 1 3 363.506 2.210 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000115794946 543585306 /nfs/dbraw/zinc/58/53/06/543585306.db2.gz NUNOWMKIKFYGFF-SFHVURJKSA-N 1 3 362.518 2.110 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000115794946 543585309 /nfs/dbraw/zinc/58/53/09/543585309.db2.gz NUNOWMKIKFYGFF-SFHVURJKSA-N 1 3 362.518 2.110 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000120148456 543676192 /nfs/dbraw/zinc/67/61/92/543676192.db2.gz YHPGAOCNRBNCOI-UHFFFAOYSA-N 1 3 355.914 2.363 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(NC(C)=O)cc1 ZINC000125576745 543890179 /nfs/dbraw/zinc/89/01/79/543890179.db2.gz YBDULRSCSAPSII-FQEVSTJZSA-N 1 3 374.529 2.062 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(NC(C)=O)cc1 ZINC000125576745 543890182 /nfs/dbraw/zinc/89/01/82/543890182.db2.gz YBDULRSCSAPSII-FQEVSTJZSA-N 1 3 374.529 2.062 20 0 FEADHO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126750854 543954628 /nfs/dbraw/zinc/95/46/28/543954628.db2.gz JEEQKCJEXOUNJO-FQEVSTJZSA-N 1 3 353.514 2.335 20 0 FEADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc2c(c1)OCCCO2 ZINC000128046617 544029724 /nfs/dbraw/zinc/02/97/24/544029724.db2.gz HFMRDMVUFQRMKL-RDJZCZTQSA-N 1 3 361.486 2.086 20 0 FEADHO COCCCN1CCC(NC(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000127683128 544008156 /nfs/dbraw/zinc/00/81/56/544008156.db2.gz MNKTXGZAIOVROR-KRWDZBQOSA-N 1 3 366.550 2.146 20 0 FEADHO COCCCN1CCC(NC(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000127683128 544008159 /nfs/dbraw/zinc/00/81/59/544008159.db2.gz MNKTXGZAIOVROR-KRWDZBQOSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCN1CCCN(C)CC1 ZINC000128238765 544040531 /nfs/dbraw/zinc/04/05/31/544040531.db2.gz KEJUFIDZXJHILG-HNNXBMFYSA-N 1 3 367.925 2.069 20 0 FEADHO CC[N@@H+]1CCC[C@@H](NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000133855304 544285656 /nfs/dbraw/zinc/28/56/56/544285656.db2.gz ZGBSRXABYYNUOI-QFBILLFUSA-N 1 3 359.518 2.391 20 0 FEADHO CC[N@H+]1CCC[C@@H](NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000133855304 544285659 /nfs/dbraw/zinc/28/56/59/544285659.db2.gz ZGBSRXABYYNUOI-QFBILLFUSA-N 1 3 359.518 2.391 20 0 FEADHO C[C@@H]1CCC[C@](CNC(=O)c2ccnc(OCCN(C)C)c2)([NH+](C)C)C1 ZINC000136579753 544374864 /nfs/dbraw/zinc/37/48/64/544374864.db2.gz OATWAXHLGSLOIL-UZLBHIALSA-N 1 3 362.518 2.262 20 0 FEADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccc2c(c1)OCO2 ZINC000153308540 544758891 /nfs/dbraw/zinc/75/88/91/544758891.db2.gz XCILMMLALFVQRS-KRWDZBQOSA-N 1 3 362.470 2.152 20 0 FEADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000154799422 544951070 /nfs/dbraw/zinc/95/10/70/544951070.db2.gz ALCASIVNMIUZEL-UHFFFAOYSA-N 1 3 374.529 2.410 20 0 FEADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000154799422 544951072 /nfs/dbraw/zinc/95/10/72/544951072.db2.gz ALCASIVNMIUZEL-UHFFFAOYSA-N 1 3 374.529 2.410 20 0 FEADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@H](O)c1ccc(F)cc1Cl ZINC000187363509 328019739 /nfs/dbraw/zinc/01/97/39/328019739.db2.gz UJSKEDFLLVTVDB-SFHVURJKSA-N 1 3 357.901 2.470 20 0 FEADHO CCO[C@H]1C[C@](N)(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000188246097 328075620 /nfs/dbraw/zinc/07/56/20/328075620.db2.gz QJRBIPGJPOZVPD-PXNSSMCTSA-N 1 3 351.535 2.432 20 0 FEADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1[nH]nc2c1CNCC2 ZINC000188746755 328108326 /nfs/dbraw/zinc/10/83/26/328108326.db2.gz AMKLVJZHYRTPGR-UHFFFAOYSA-N 1 3 367.497 2.361 20 0 FEADHO COCc1cccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000188834089 328113268 /nfs/dbraw/zinc/11/32/68/328113268.db2.gz DAVOHEYPRLQZQP-UHFFFAOYSA-N 1 3 359.514 2.050 20 0 FEADHO CC(C)N1CCN(CCC[NH+]2CCC(NC(=O)c3ccccc3)CC2)CC1 ZINC000191401885 328263954 /nfs/dbraw/zinc/26/39/54/328263954.db2.gz VAHJGXNEYOKZNJ-UHFFFAOYSA-N 1 3 372.557 2.297 20 0 FEADHO C[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCS1 ZINC000192244512 328308896 /nfs/dbraw/zinc/30/88/96/328308896.db2.gz PPNXXVUVGIIWMG-OAHLLOKOSA-N 1 3 354.564 2.082 20 0 FEADHO CC1CCN([C@H](CNC(=O)C[NH2+]C[C@H]2CCCO2)c2cccs2)CC1 ZINC000236659795 328491115 /nfs/dbraw/zinc/49/11/15/328491115.db2.gz ZEUADTHEZRASSU-IAGOWNOFSA-N 1 3 365.543 2.406 20 0 FEADHO CC(C)CN1CCN([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000078645291 325056118 /nfs/dbraw/zinc/05/61/18/325056118.db2.gz RKOGPNFHKUQHDB-PZJWPPBQSA-N 1 3 372.557 2.039 20 0 FEADHO CC(C)CN1CCN([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000078645291 325056120 /nfs/dbraw/zinc/05/61/20/325056120.db2.gz RKOGPNFHKUQHDB-PZJWPPBQSA-N 1 3 372.557 2.039 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000078946491 325068427 /nfs/dbraw/zinc/06/84/27/325068427.db2.gz MFBFQPTYZUIMEJ-UHFFFAOYSA-N 1 3 362.518 2.302 20 0 FEADHO C[C@H]1CCCN(CCNC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000079180959 325079726 /nfs/dbraw/zinc/07/97/26/325079726.db2.gz UNNRQKIZRBNONK-KRWDZBQOSA-N 1 3 362.518 2.158 20 0 FEADHO C[C@H](CN1CCCCC1)NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000079171219 325079817 /nfs/dbraw/zinc/07/98/17/325079817.db2.gz QZYYTGFJYZERJM-QGZVFWFLSA-N 1 3 362.518 2.301 20 0 FEADHO CC(C)C[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000088481599 325295496 /nfs/dbraw/zinc/29/54/96/325295496.db2.gz HFWQBVXVCZRTNW-UHFFFAOYSA-N 1 3 350.507 2.473 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCCCN2CCOCC2)CC1 ZINC000088682884 325299709 /nfs/dbraw/zinc/29/97/09/325299709.db2.gz BGOUZYWSKYVOMP-UHFFFAOYSA-N 1 3 374.573 2.421 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCN2CCOC)CC1 ZINC000088699411 325299799 /nfs/dbraw/zinc/29/97/99/325299799.db2.gz RRGCOOQVKHWGQC-NRFANRHFSA-N 1 3 374.573 2.419 20 0 FEADHO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(OCCN(C)C)c1 ZINC000090882619 325368835 /nfs/dbraw/zinc/36/88/35/325368835.db2.gz WJSNQMUMBPXJMR-HNNXBMFYSA-N 1 3 354.516 2.102 20 0 FEADHO COCCc1nc(C)c([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)s1 ZINC000092738518 325423869 /nfs/dbraw/zinc/42/38/69/325423869.db2.gz DGELOGOUUGCUIT-CQSZACIVSA-N 1 3 354.564 2.317 20 0 FEADHO O=C(C[C@H]1CSCC[NH2+]1)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000238099443 328541031 /nfs/dbraw/zinc/54/10/31/328541031.db2.gz LKCYMNJOCFABEE-SFHVURJKSA-N 1 3 374.554 2.252 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000120263716 326245165 /nfs/dbraw/zinc/24/51/65/326245165.db2.gz PJVWGAPNLQFNFH-CTNGQTDRSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000120263716 326245167 /nfs/dbraw/zinc/24/51/67/326245167.db2.gz PJVWGAPNLQFNFH-CTNGQTDRSA-N 1 3 372.557 2.041 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000122212720 326388239 /nfs/dbraw/zinc/38/82/39/326388239.db2.gz DILQQZOEXVOGMQ-GOSISDBHSA-N 1 3 353.551 2.458 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000122212720 326388240 /nfs/dbraw/zinc/38/82/40/326388240.db2.gz DILQQZOEXVOGMQ-GOSISDBHSA-N 1 3 353.551 2.458 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000162052622 327015901 /nfs/dbraw/zinc/01/59/01/327015901.db2.gz JCWYBMNUOCVZCA-HXUWFJFHSA-N 1 3 360.546 2.339 20 0 FEADHO C[NH+]1CCC(CCNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC1 ZINC000162521410 327027728 /nfs/dbraw/zinc/02/77/28/327027728.db2.gz LGONEMBAYYENOL-UHFFFAOYSA-N 1 3 373.541 2.353 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000171613374 327148494 /nfs/dbraw/zinc/14/84/94/327148494.db2.gz OAWCBAPVYATZSF-IBGZPJMESA-N 1 3 374.529 2.397 20 0 FEADHO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000173254190 327244256 /nfs/dbraw/zinc/24/42/56/327244256.db2.gz MZTYVCUPSKEUTF-WOJBJXKFSA-N 1 3 354.498 2.479 20 0 FEADHO CN1CCC2(CC1)C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1O2 ZINC000173934905 327295787 /nfs/dbraw/zinc/29/57/87/327295787.db2.gz HQBMHVTXSQCJBC-GOSISDBHSA-N 1 3 357.498 2.433 20 0 FEADHO O[C@H](COCc1cccs1)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173945083 327296463 /nfs/dbraw/zinc/29/64/63/327296463.db2.gz CDUROFLBCVQECC-KRWDZBQOSA-N 1 3 368.543 2.202 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000178034545 327560579 /nfs/dbraw/zinc/56/05/79/327560579.db2.gz LGQQRTCRLPQVCM-HUUCEWRRSA-N 1 3 351.457 2.492 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000262665576 328879713 /nfs/dbraw/zinc/87/97/13/328879713.db2.gz PIJYXFKIQDHNBO-VAMGGRTRSA-N 1 3 359.514 2.066 20 0 FEADHO COCCN(CCN(C)C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000264297753 329008077 /nfs/dbraw/zinc/00/80/77/329008077.db2.gz WEBKCZWYEXBCAF-UHFFFAOYSA-N 1 3 362.518 2.002 20 0 FEADHO COC[C@H]1CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000265811338 329162857 /nfs/dbraw/zinc/16/28/57/329162857.db2.gz QBZYICVAROFRSB-HKUYNNGSSA-N 1 3 359.514 2.124 20 0 FEADHO O=C(CN1CCC2(C1)CCOCC2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000266545328 329234761 /nfs/dbraw/zinc/23/47/61/329234761.db2.gz JOICIUAAKVVFJD-UHFFFAOYSA-N 1 3 371.525 2.401 20 0 FEADHO CN(C)[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000267252033 329307360 /nfs/dbraw/zinc/30/73/60/329307360.db2.gz ZWWCQIBWRKMUIQ-FUHWJXTLSA-N 1 3 350.532 2.026 20 0 FEADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000267304791 329312630 /nfs/dbraw/zinc/31/26/30/329312630.db2.gz KUJWTGVUCMKVKU-GOSISDBHSA-N 1 3 372.513 2.082 20 0 FEADHO CC(C)[NH+]1CCC(O)(CNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000268444385 329420663 /nfs/dbraw/zinc/42/06/63/329420663.db2.gz GVQLGTPLULACTM-UHFFFAOYSA-N 1 3 359.514 2.248 20 0 FEADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000271651130 329711702 /nfs/dbraw/zinc/71/17/02/329711702.db2.gz BCCDXDIHWZGQBG-RBUKOAKNSA-N 1 3 368.543 2.115 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H](N)CCSC ZINC000272319135 329770266 /nfs/dbraw/zinc/77/02/66/329770266.db2.gz KUSRHUJPLSBBHL-INIZCTEOSA-N 1 3 353.532 2.104 20 0 FEADHO CN(C)Cc1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000275619572 330070801 /nfs/dbraw/zinc/07/08/01/330070801.db2.gz HXHNWNYFIHDOMK-UHFFFAOYSA-N 1 3 368.481 2.430 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000275676633 330077079 /nfs/dbraw/zinc/07/70/79/330077079.db2.gz PPDHSTHCQVLTMI-QGZVFWFLSA-N 1 3 374.529 2.413 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)COc2ccccc2F)[C@@H](C)C1 ZINC000276154398 330124368 /nfs/dbraw/zinc/12/43/68/330124368.db2.gz CLBYTSBLQQLMQC-SCTDSRPQSA-N 1 3 368.493 2.292 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)COc2ccccc2F)[C@@H](C)C1 ZINC000276154398 330124370 /nfs/dbraw/zinc/12/43/70/330124370.db2.gz CLBYTSBLQQLMQC-SCTDSRPQSA-N 1 3 368.493 2.292 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000477494716 561146305 /nfs/dbraw/zinc/14/63/05/561146305.db2.gz AEFGPKLXVQTOAC-PMACEKPBSA-N 1 3 374.529 2.186 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000477494716 561146306 /nfs/dbraw/zinc/14/63/06/561146306.db2.gz AEFGPKLXVQTOAC-PMACEKPBSA-N 1 3 374.529 2.186 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)cc2)CC1 ZINC000157229114 545716496 /nfs/dbraw/zinc/71/64/96/545716496.db2.gz IILDJQXWSHXASD-FPOVZHCZSA-N 1 3 370.541 2.385 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)cc2)CC1 ZINC000157229114 545716501 /nfs/dbraw/zinc/71/65/01/545716501.db2.gz IILDJQXWSHXASD-FPOVZHCZSA-N 1 3 370.541 2.385 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000477766619 561152869 /nfs/dbraw/zinc/15/28/69/561152869.db2.gz SSJKRLJSBZRTCV-APWZRJJASA-N 1 3 361.530 2.426 20 0 FEADHO COCC1(C(=O)NCc2ccccc2CN2CCCCC2)CC[NH2+]CC1 ZINC000479196008 561184127 /nfs/dbraw/zinc/18/41/27/561184127.db2.gz QPJXJEPMZWYCNJ-UHFFFAOYSA-N 1 3 359.514 2.305 20 0 FEADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H](CN)c2ccc(F)cc2)cc1 ZINC000479206280 561184470 /nfs/dbraw/zinc/18/44/70/561184470.db2.gz PEYQYJPSXFKMIC-SFHVURJKSA-N 1 3 372.444 2.397 20 0 FEADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000175608266 546320161 /nfs/dbraw/zinc/32/01/61/546320161.db2.gz QWEHNWPTKRNWQY-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO COCCCN(C)CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000175739156 546342187 /nfs/dbraw/zinc/34/21/87/546342187.db2.gz GUQLKCPOYUXQJN-OALUTQOASA-N 1 3 368.566 2.251 20 0 FEADHO COCCCN(C)CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000175739156 546342192 /nfs/dbraw/zinc/34/21/92/546342192.db2.gz GUQLKCPOYUXQJN-OALUTQOASA-N 1 3 368.566 2.251 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000176085320 546403422 /nfs/dbraw/zinc/40/34/22/546403422.db2.gz IEBLDZIUSQEGOH-SFHVURJKSA-N 1 3 374.529 2.232 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000176085320 546403426 /nfs/dbraw/zinc/40/34/26/546403426.db2.gz IEBLDZIUSQEGOH-SFHVURJKSA-N 1 3 374.529 2.232 20 0 FEADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CN4CCN3CCC4)cc2)C1 ZINC000480620350 561213181 /nfs/dbraw/zinc/21/31/81/561213181.db2.gz IBXXYIYASFDGJR-PXNSSMCTSA-N 1 3 356.514 2.247 20 0 FEADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CN4CCN3CCC4)cc2)C1 ZINC000480620350 561213182 /nfs/dbraw/zinc/21/31/82/561213182.db2.gz IBXXYIYASFDGJR-PXNSSMCTSA-N 1 3 356.514 2.247 20 0 FEADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177375026 546602742 /nfs/dbraw/zinc/60/27/42/546602742.db2.gz GECGGJRHDQFJFS-ZHALLVOQSA-N 1 3 352.567 2.028 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000178542875 546809647 /nfs/dbraw/zinc/80/96/47/546809647.db2.gz MPMRPBXPUDWFCR-QGZVFWFLSA-N 1 3 359.518 2.392 20 0 FEADHO NC[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000178739391 546841015 /nfs/dbraw/zinc/84/10/15/546841015.db2.gz CEIYRDJAOFGMJQ-CTNGQTDRSA-N 1 3 351.494 2.410 20 0 FEADHO NC[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000178739391 546841020 /nfs/dbraw/zinc/84/10/20/546841020.db2.gz CEIYRDJAOFGMJQ-CTNGQTDRSA-N 1 3 351.494 2.410 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000178746641 546842855 /nfs/dbraw/zinc/84/28/55/546842855.db2.gz NJLVVUIUBMVALN-JTDSTZFVSA-N 1 3 367.559 2.333 20 0 FEADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC000482148198 561249031 /nfs/dbraw/zinc/24/90/31/561249031.db2.gz GOKOMQOAPURKRG-JKSUJKDBSA-N 1 3 352.523 2.197 20 0 FEADHO C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N1CCN(C)CC1 ZINC000180137694 547057632 /nfs/dbraw/zinc/05/76/32/547057632.db2.gz GIGYEQBIPMUAPZ-BHGTWAMESA-N 1 3 356.558 2.408 20 0 FEADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCN(C)CC1 ZINC000180137694 547057637 /nfs/dbraw/zinc/05/76/37/547057637.db2.gz GIGYEQBIPMUAPZ-BHGTWAMESA-N 1 3 356.558 2.408 20 0 FEADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCN(C)CC1 ZINC000180137694 547057641 /nfs/dbraw/zinc/05/76/41/547057641.db2.gz GIGYEQBIPMUAPZ-BHGTWAMESA-N 1 3 356.558 2.408 20 0 FEADHO CC(C)(C)N1CCC([NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000180230961 547069862 /nfs/dbraw/zinc/06/98/62/547069862.db2.gz UILYRPBSVZUPTK-UHFFFAOYSA-N 1 3 369.531 2.289 20 0 FEADHO CN(C)CCOC1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000484003194 561289340 /nfs/dbraw/zinc/28/93/40/561289340.db2.gz ISHFLRSPFIYRPY-UHFFFAOYSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000182956194 547578666 /nfs/dbraw/zinc/57/86/66/547578666.db2.gz IAPNDMLQXBGVQB-RTBURBONSA-N 1 3 372.557 2.312 20 0 FEADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC1CCN(CCOC)CC1 ZINC000485404916 561318452 /nfs/dbraw/zinc/31/84/52/561318452.db2.gz BJQVPVIUFXEPLO-UHFFFAOYSA-N 1 3 354.539 2.005 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)N2CCC(C)CC2)[C@H](C)C1 ZINC000187026395 548243638 /nfs/dbraw/zinc/24/36/38/548243638.db2.gz MNCCTICJJFKMFW-QYZOEREBSA-N 1 3 353.551 2.360 20 0 FEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486660798 561353736 /nfs/dbraw/zinc/35/37/36/561353736.db2.gz WBRLCQNIZZNYLC-QRQLOZEOSA-N 1 3 367.497 2.466 20 0 FEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486660798 561353737 /nfs/dbraw/zinc/35/37/37/561353737.db2.gz WBRLCQNIZZNYLC-QRQLOZEOSA-N 1 3 367.497 2.466 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)c2csc(CC[NH3+])n2)CCN1Cc1ccccc1 ZINC000194834280 548538521 /nfs/dbraw/zinc/53/85/21/548538521.db2.gz HSNVLQGSTGMRIS-ZBFHGGJFSA-N 1 3 358.511 2.427 20 0 FEADHO C[C@H]1C[C@H](NC(=O)c2csc(CC[NH3+])n2)CCN1Cc1ccccc1 ZINC000194834263 548538887 /nfs/dbraw/zinc/53/88/87/548538887.db2.gz HSNVLQGSTGMRIS-GOEBONIOSA-N 1 3 358.511 2.427 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(SC)CCC1 ZINC000195095619 548575675 /nfs/dbraw/zinc/57/56/75/548575675.db2.gz JQYVERVTYVNLCW-INIZCTEOSA-N 1 3 356.580 2.330 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(SC)CCC1 ZINC000195095619 548575680 /nfs/dbraw/zinc/57/56/80/548575680.db2.gz JQYVERVTYVNLCW-INIZCTEOSA-N 1 3 356.580 2.330 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1Cc2ccccc21 ZINC000246153010 549063676 /nfs/dbraw/zinc/06/36/76/549063676.db2.gz KIQNDRDETSVKOD-MOPGFXCFSA-N 1 3 358.530 2.384 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1Cc2ccccc21 ZINC000246153010 549063679 /nfs/dbraw/zinc/06/36/79/549063679.db2.gz KIQNDRDETSVKOD-MOPGFXCFSA-N 1 3 358.530 2.384 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000246360626 549113218 /nfs/dbraw/zinc/11/32/18/549113218.db2.gz PZUDKJFCMLWBQA-VQIMIIECSA-N 1 3 362.518 2.109 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000246360626 549113222 /nfs/dbraw/zinc/11/32/22/549113222.db2.gz PZUDKJFCMLWBQA-VQIMIIECSA-N 1 3 362.518 2.109 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000247227667 549302150 /nfs/dbraw/zinc/30/21/50/549302150.db2.gz RVDGPSLUFZCXDP-LXZJYRNTSA-N 1 3 366.594 2.274 20 0 FEADHO CCC[N@H+](C)C[C@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000248403984 549430593 /nfs/dbraw/zinc/43/05/93/549430593.db2.gz ZNYTTXODKFYQDW-UYAOXDASSA-N 1 3 360.546 2.069 20 0 FEADHO CCC[N@@H+](C)C[C@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000248403984 549430596 /nfs/dbraw/zinc/43/05/96/549430596.db2.gz ZNYTTXODKFYQDW-UYAOXDASSA-N 1 3 360.546 2.069 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000252735174 549678779 /nfs/dbraw/zinc/67/87/79/549678779.db2.gz JDPMYYXKGQNQQE-DYESRHJHSA-N 1 3 373.541 2.303 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000252735174 549678781 /nfs/dbraw/zinc/67/87/81/549678781.db2.gz JDPMYYXKGQNQQE-DYESRHJHSA-N 1 3 373.541 2.303 20 0 FEADHO CCc1ccc([C@@H]2CNCCN2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000261655403 549739611 /nfs/dbraw/zinc/73/96/11/549739611.db2.gz GNKFISTZRMKDMI-NRFANRHFSA-N 1 3 372.557 2.184 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261691992 549743242 /nfs/dbraw/zinc/74/32/42/549743242.db2.gz HOLGIXFSHDYSSK-NSISKUIASA-N 1 3 359.514 2.252 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261691992 549743243 /nfs/dbraw/zinc/74/32/43/549743243.db2.gz HOLGIXFSHDYSSK-NSISKUIASA-N 1 3 359.514 2.252 20 0 FEADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262138593 549791838 /nfs/dbraw/zinc/79/18/38/549791838.db2.gz PGHNGIPHFNZSEG-OAQYLSRUSA-N 1 3 367.541 2.336 20 0 FEADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000262251883 549802288 /nfs/dbraw/zinc/80/22/88/549802288.db2.gz DPGMNKRRRQTGMH-HUUCEWRRSA-N 1 3 373.501 2.358 20 0 FEADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000262251881 549802322 /nfs/dbraw/zinc/80/23/22/549802322.db2.gz DPGMNKRRRQTGMH-GJZGRUSLSA-N 1 3 373.501 2.358 20 0 FEADHO [NH3+]CCCN(Cc1ccccc1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000262306046 549808687 /nfs/dbraw/zinc/80/86/87/549808687.db2.gz AOTJHDTWWBLMHQ-UHFFFAOYSA-N 1 3 359.514 2.399 20 0 FEADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)C1(COC)CC[NH2+]CC1 ZINC000262331455 549811484 /nfs/dbraw/zinc/81/14/84/549811484.db2.gz FMZNKBGWKZYKDG-HXUWFJFHSA-N 1 3 373.541 2.373 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)N(C)C)cc1 ZINC000262718711 549842822 /nfs/dbraw/zinc/84/28/22/549842822.db2.gz HLFIXTWTAXHMQB-IEBWSBKVSA-N 1 3 355.486 2.149 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263195685 549885166 /nfs/dbraw/zinc/88/51/66/549885166.db2.gz IJWRJBPMUAXPAF-IRLDBZIGSA-N 1 3 372.557 2.348 20 0 FEADHO CSC1(CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC[NH+](C)CC1 ZINC000491030336 561442093 /nfs/dbraw/zinc/44/20/93/561442093.db2.gz BPJRCRCWNZCQFX-IXDOHACOSA-N 1 3 368.591 2.186 20 0 FEADHO COCCOc1ccc([C@H](C)NCCC[N@H+](C)CCOC)cc1OC ZINC000268811210 550118793 /nfs/dbraw/zinc/11/87/93/550118793.db2.gz KXDAQWZHLDGVQG-INIZCTEOSA-N 1 3 354.491 2.339 20 0 FEADHO COCCOc1ccc([C@H](C)NCCC[N@@H+](C)CCOC)cc1OC ZINC000268811210 550118796 /nfs/dbraw/zinc/11/87/96/550118796.db2.gz KXDAQWZHLDGVQG-INIZCTEOSA-N 1 3 354.491 2.339 20 0 FEADHO CS[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1N(C)C ZINC000270533060 550281374 /nfs/dbraw/zinc/28/13/74/550281374.db2.gz VWFWQMDBHHXMNS-RTBURBONSA-N 1 3 361.555 2.403 20 0 FEADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000271527600 550382482 /nfs/dbraw/zinc/38/24/82/550382482.db2.gz QMQIDGYERWBPHT-KYNGSXCRSA-N 1 3 366.527 2.119 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+]4CCC(CO)CC4)cc3)[C@H]2C1 ZINC000272631393 550461839 /nfs/dbraw/zinc/46/18/39/550461839.db2.gz NFGVUSYFJMBRLJ-CTNGQTDRSA-N 1 3 371.525 2.057 20 0 FEADHO CN1CCN(CCCNC(=O)CC2CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC000273219284 550490294 /nfs/dbraw/zinc/49/02/94/550490294.db2.gz OUNYCNZXXJISEV-OAQYLSRUSA-N 1 3 372.557 2.213 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000274725598 550550806 /nfs/dbraw/zinc/55/08/06/550550806.db2.gz AKZRJPYDUGMOND-QRQLOZEOSA-N 1 3 361.530 2.152 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000274725590 550550854 /nfs/dbraw/zinc/55/08/54/550550854.db2.gz AKZRJPYDUGMOND-NEWSRXKRSA-N 1 3 361.530 2.152 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NCc2cccc(C[NH+](C)C)c2)CCCO1 ZINC000277407852 550666843 /nfs/dbraw/zinc/66/68/43/550666843.db2.gz LLXPDZKCRFCDRU-QGZVFWFLSA-N 1 3 362.518 2.048 20 0 FEADHO CCC[NH+](CCC)CCCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000494875779 561478455 /nfs/dbraw/zinc/47/84/55/561478455.db2.gz CMTPPAHPNXUDAR-GOSISDBHSA-N 1 3 368.566 2.393 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)NCC1CC[NH+](C2CC2)CC1 ZINC000278605963 550803721 /nfs/dbraw/zinc/80/37/21/550803721.db2.gz VQMPTAJUKWNARI-UHFFFAOYSA-N 1 3 370.541 2.189 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000495183659 561483836 /nfs/dbraw/zinc/48/38/36/561483836.db2.gz LOBFCQHJEUOISQ-SJPCQFCGSA-N 1 3 366.550 2.142 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000495183659 561483837 /nfs/dbraw/zinc/48/38/37/561483837.db2.gz LOBFCQHJEUOISQ-SJPCQFCGSA-N 1 3 366.550 2.142 20 0 FEADHO O=CN1CCC([NH2+]CCCOC2CCN(Cc3ccccc3)CC2)CC1 ZINC000278839581 550827734 /nfs/dbraw/zinc/82/77/34/550827734.db2.gz URINKQHFTVYISG-UHFFFAOYSA-N 1 3 359.514 2.268 20 0 FEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc2c(c1)CCC(=O)N2C ZINC000279735605 550923278 /nfs/dbraw/zinc/92/32/78/550923278.db2.gz NWQNNXCQUBHQQB-UHFFFAOYSA-N 1 3 358.530 2.053 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000280833966 551037384 /nfs/dbraw/zinc/03/73/84/551037384.db2.gz JYFPASFTGPEXMX-QGZVFWFLSA-N 1 3 359.493 2.375 20 0 FEADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)[C@@H]2C1 ZINC000497360866 561499246 /nfs/dbraw/zinc/49/92/46/561499246.db2.gz CMKDYTCCSPEGQC-HSALFYBXSA-N 1 3 356.514 2.387 20 0 FEADHO C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)[C@@H]2C1 ZINC000497360866 561499247 /nfs/dbraw/zinc/49/92/47/561499247.db2.gz CMKDYTCCSPEGQC-HSALFYBXSA-N 1 3 356.514 2.387 20 0 FEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000497506093 561502437 /nfs/dbraw/zinc/50/24/37/561502437.db2.gz PLSLFLMTMUYQPT-HXUWFJFHSA-N 1 3 361.530 2.426 20 0 FEADHO CN1CCN(CC[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC1(C)C ZINC000282445678 551230185 /nfs/dbraw/zinc/23/01/85/551230185.db2.gz SBYRRVGUKDJYKZ-UHFFFAOYSA-N 1 3 363.456 2.471 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000497621832 561504926 /nfs/dbraw/zinc/50/49/26/561504926.db2.gz JOZFTJHPRCQDBI-SJLPKXTDSA-N 1 3 366.550 2.002 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000497621832 561504927 /nfs/dbraw/zinc/50/49/27/561504927.db2.gz JOZFTJHPRCQDBI-SJLPKXTDSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CO[C@@H]1CCCC[C@H]1C ZINC000498167657 561517513 /nfs/dbraw/zinc/51/75/13/561517513.db2.gz VPLHATYOCDLBMO-GUDVDZBRSA-N 1 3 353.551 2.456 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CO[C@@H]1CCCC[C@H]1C ZINC000498167657 561517514 /nfs/dbraw/zinc/51/75/14/561517514.db2.gz VPLHATYOCDLBMO-GUDVDZBRSA-N 1 3 353.551 2.456 20 0 FEADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000284338155 551527538 /nfs/dbraw/zinc/52/75/38/551527538.db2.gz MAGLLHUIPYKFJY-IBGZPJMESA-N 1 3 359.514 2.479 20 0 FEADHO C[NH+]1CCC(Oc2ccc(CN[C@@H](Cc3ccccc3)C(N)=O)cc2)CC1 ZINC000284430426 551547466 /nfs/dbraw/zinc/54/74/66/551547466.db2.gz OSFRSEDBSKZILI-NRFANRHFSA-N 1 3 367.493 2.346 20 0 FEADHO CCN1CCN([C@H](C)CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000498522718 561526785 /nfs/dbraw/zinc/52/67/85/561526785.db2.gz MGEWUQMUOIMEIX-LJQANCHMSA-N 1 3 372.557 2.428 20 0 FEADHO CC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(CCN(C)C)c2-c2ccccc2)C1 ZINC000286958493 551944570 /nfs/dbraw/zinc/94/45/70/551944570.db2.gz AORJTLAMADBSDU-KRWDZBQOSA-N 1 3 369.513 2.183 20 0 FEADHO CC[N@H+]1CC[C@@H](CNC(=O)c2cnn(CCN(C)C)c2-c2ccccc2)C1 ZINC000286958493 551944572 /nfs/dbraw/zinc/94/45/72/551944572.db2.gz AORJTLAMADBSDU-KRWDZBQOSA-N 1 3 369.513 2.183 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000287536270 552016603 /nfs/dbraw/zinc/01/66/03/552016603.db2.gz IZJDIBKMDIJDGG-FQEVSTJZSA-N 1 3 374.529 2.472 20 0 FEADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1cccc(-n2ccnn2)c1 ZINC000287699517 552035708 /nfs/dbraw/zinc/03/57/08/552035708.db2.gz NNUGMAFXFWSHTR-INIZCTEOSA-N 1 3 366.469 2.454 20 0 FEADHO Cc1nn2c(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)c(C)nc2s1 ZINC000499676946 561555892 /nfs/dbraw/zinc/55/58/92/561555892.db2.gz FVGNZVDEFHDJBJ-STQMWFEESA-N 1 3 351.520 2.387 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000499764745 561557957 /nfs/dbraw/zinc/55/79/57/561557957.db2.gz CCGBHAGZVDKZND-PKOBYXMFSA-N 1 3 368.566 2.249 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000499764745 561557958 /nfs/dbraw/zinc/55/79/58/561557958.db2.gz CCGBHAGZVDKZND-PKOBYXMFSA-N 1 3 368.566 2.249 20 0 FEADHO Cc1nc2ccccn2c(=O)c1CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000289293720 552296277 /nfs/dbraw/zinc/29/62/77/552296277.db2.gz BMHMTOSZVCKZEJ-YLJYHZDGSA-N 1 3 366.509 2.494 20 0 FEADHO Cc1nc2ccccn2c(=O)c1CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000289293720 552296279 /nfs/dbraw/zinc/29/62/79/552296279.db2.gz BMHMTOSZVCKZEJ-YLJYHZDGSA-N 1 3 366.509 2.494 20 0 FEADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCc2ccncc2)CC1 ZINC000289374115 552309784 /nfs/dbraw/zinc/30/97/84/552309784.db2.gz OUDZYWMAZIQJQW-UHFFFAOYSA-N 1 3 358.530 2.328 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn(C)nc1-c1cccnc1 ZINC000289545417 552338370 /nfs/dbraw/zinc/33/83/70/552338370.db2.gz XBTNGCDSLYIYEQ-FQEVSTJZSA-N 1 3 370.545 2.330 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn(C)nc1-c1cccnc1 ZINC000289545417 552338372 /nfs/dbraw/zinc/33/83/72/552338372.db2.gz XBTNGCDSLYIYEQ-FQEVSTJZSA-N 1 3 370.545 2.330 20 0 FEADHO O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)C12CCC[NH+]1CCC2 ZINC000290265011 552450613 /nfs/dbraw/zinc/45/06/13/552450613.db2.gz BHCLUUMUBVFNNL-FQEVSTJZSA-N 1 3 371.525 2.177 20 0 FEADHO C[C@@H](C(=O)NCc1ccncc1OCCC[NH+](C)C)N1[C@H](C)CC[C@@H]1C ZINC000290554468 552497527 /nfs/dbraw/zinc/49/75/27/552497527.db2.gz FETHYPMDZUZBFR-BBWFWOEESA-N 1 3 362.518 2.290 20 0 FEADHO CN(C)Cc1ccc(C(=O)NCc2ccncc2OCCC[NH+](C)C)cc1 ZINC000290677210 552518103 /nfs/dbraw/zinc/51/81/03/552518103.db2.gz QBAHYJWCALKGJQ-UHFFFAOYSA-N 1 3 370.497 2.404 20 0 FEADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1c[nH]c2nccnc12 ZINC000290912833 552560853 /nfs/dbraw/zinc/56/08/53/552560853.db2.gz PNDYDXWNOWGEOD-SFHVURJKSA-N 1 3 351.454 2.204 20 0 FEADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1c[nH]c2nccnc12 ZINC000290912833 552560855 /nfs/dbraw/zinc/56/08/55/552560855.db2.gz PNDYDXWNOWGEOD-SFHVURJKSA-N 1 3 351.454 2.204 20 0 FEADHO C[C@@H]1[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CCN1Cc1ccccc1 ZINC000291755025 552658600 /nfs/dbraw/zinc/65/86/00/552658600.db2.gz KTLQBFTUNXEMCM-DUXKGJEZSA-N 1 3 371.525 2.409 20 0 FEADHO C[C@@H]1[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CCN1Cc1ccccc1 ZINC000291755025 552658602 /nfs/dbraw/zinc/65/86/02/552658602.db2.gz KTLQBFTUNXEMCM-DUXKGJEZSA-N 1 3 371.525 2.409 20 0 FEADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)CC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000292047958 552688149 /nfs/dbraw/zinc/68/81/49/552688149.db2.gz IVWLHUKINUBCRU-OAHLLOKOSA-N 1 3 373.501 2.373 20 0 FEADHO CN1CCN(CCCNC(=O)CC[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000292166540 552700384 /nfs/dbraw/zinc/70/03/84/552700384.db2.gz VPBMQWXBSXMRQZ-VQTJNVASSA-N 1 3 358.530 2.014 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000501428741 561597414 /nfs/dbraw/zinc/59/74/14/561597414.db2.gz ZDHAGWLDAHZYAD-CTNGQTDRSA-N 1 3 360.546 2.088 20 0 FEADHO COc1cc(CN2CCC[C@@H](CO)C2)cc(C[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000292604333 552742342 /nfs/dbraw/zinc/74/23/42/552742342.db2.gz LMKATQZIJOFLAX-QZTJIDSGSA-N 1 3 362.514 2.104 20 0 FEADHO COc1cc(CN2CCC[C@@H](CO)C2)cc(C[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000292604333 552742343 /nfs/dbraw/zinc/74/23/43/552742343.db2.gz LMKATQZIJOFLAX-QZTJIDSGSA-N 1 3 362.514 2.104 20 0 FEADHO COc1cc(CN2CCC[C@@H](O)CC2)cc(C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000293125742 552791245 /nfs/dbraw/zinc/79/12/45/552791245.db2.gz MMVFGPIKOUCIJW-WOJBJXKFSA-N 1 3 362.514 2.389 20 0 FEADHO COc1cc(CN2CCC[C@@H](O)CC2)cc(C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC000293125742 552791246 /nfs/dbraw/zinc/79/12/46/552791246.db2.gz MMVFGPIKOUCIJW-WOJBJXKFSA-N 1 3 362.514 2.389 20 0 FEADHO COCCc1ccc(OC[C@@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000293204867 552799027 /nfs/dbraw/zinc/79/90/27/552799027.db2.gz UPFRTWHPSVLWFX-FQEVSTJZSA-N 1 3 364.530 2.420 20 0 FEADHO COCCc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000293204867 552799028 /nfs/dbraw/zinc/79/90/28/552799028.db2.gz UPFRTWHPSVLWFX-FQEVSTJZSA-N 1 3 364.530 2.420 20 0 FEADHO Cc1ccc(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c(OCCN(C)C)c1 ZINC000293382889 552817866 /nfs/dbraw/zinc/81/78/66/552817866.db2.gz PVOZIDKHAGQFQD-FQEVSTJZSA-N 1 3 360.502 2.495 20 0 FEADHO Cc1ccc(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c(OCCN(C)C)c1 ZINC000293382889 552817867 /nfs/dbraw/zinc/81/78/67/552817867.db2.gz PVOZIDKHAGQFQD-FQEVSTJZSA-N 1 3 360.502 2.495 20 0 FEADHO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000293520677 552831853 /nfs/dbraw/zinc/83/18/53/552831853.db2.gz CZTFNLDJWROMSI-FUHWJXTLSA-N 1 3 351.516 2.243 20 0 FEADHO CC[C@H](C)N1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000296088358 553103229 /nfs/dbraw/zinc/10/32/29/553103229.db2.gz PPELYLZQWFMPFA-IBGZPJMESA-N 1 3 372.557 2.315 20 0 FEADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000502790832 561625736 /nfs/dbraw/zinc/62/57/36/561625736.db2.gz APWCEPXCYDLRLD-UYAOXDASSA-N 1 3 358.530 2.287 20 0 FEADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000502790832 561625737 /nfs/dbraw/zinc/62/57/37/561625737.db2.gz APWCEPXCYDLRLD-UYAOXDASSA-N 1 3 358.530 2.287 20 0 FEADHO C[C@H]1CCN(C)CCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000502958993 561631053 /nfs/dbraw/zinc/63/10/53/561631053.db2.gz JDDRVLWIJPDBDK-SFHVURJKSA-N 1 3 358.530 2.429 20 0 FEADHO CCN1CCN(CCCC[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000298774229 553471297 /nfs/dbraw/zinc/47/12/97/553471297.db2.gz HRWAACYRNYMMON-HXUWFJFHSA-N 1 3 374.573 2.419 20 0 FEADHO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000504562173 561659871 /nfs/dbraw/zinc/65/98/71/561659871.db2.gz XFPSDRJCNMTSDN-CRAIPNDOSA-N 1 3 357.564 2.091 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000299702131 553603545 /nfs/dbraw/zinc/60/35/45/553603545.db2.gz YDWMCCXXJGTOTE-HXUWFJFHSA-N 1 3 360.546 2.213 20 0 FEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCC[C@H]3CNS(C)(=O)=O)CC2)C1 ZINC000504569199 561659776 /nfs/dbraw/zinc/65/97/76/561659776.db2.gz WYPLXCOCHXASPV-KCITZHQASA-N 1 3 371.591 2.337 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(C)c(OC)c1 ZINC000505767364 561680011 /nfs/dbraw/zinc/68/00/11/561680011.db2.gz SVCLJXLIENXKOF-IBGZPJMESA-N 1 3 361.530 2.421 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(C)c(OC)c1 ZINC000505767364 561680012 /nfs/dbraw/zinc/68/00/12/561680012.db2.gz SVCLJXLIENXKOF-IBGZPJMESA-N 1 3 361.530 2.421 20 0 FEADHO C[NH+]1CCC(C)(CNC(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000507992618 561748165 /nfs/dbraw/zinc/74/81/65/561748165.db2.gz LDQNYXNKOQAFQM-UHFFFAOYSA-N 1 3 368.591 2.379 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000331481380 554272139 /nfs/dbraw/zinc/27/21/39/554272139.db2.gz IOGYUSDQIDIYSL-ZAWLATJESA-N 1 3 366.550 2.177 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000331481374 554272259 /nfs/dbraw/zinc/27/22/59/554272259.db2.gz IOGYUSDQIDIYSL-OGWHTMIXSA-N 1 3 366.550 2.177 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCC[C@H](C(N)=O)C3)CC2)CC1 ZINC000332920139 554542963 /nfs/dbraw/zinc/54/29/63/554542963.db2.gz FZIJGTMCSIKWJF-GJZGRUSLSA-N 1 3 350.507 2.003 20 0 FEADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccccc3N3CCOCC3)CC2)C1 ZINC000333116135 554574483 /nfs/dbraw/zinc/57/44/83/554574483.db2.gz HJQPQFYNCVSRIM-CTNGQTDRSA-N 1 3 359.514 2.242 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCNCC[C@H]3C)CC2)cc1 ZINC000333242271 554593521 /nfs/dbraw/zinc/59/35/21/554593521.db2.gz FDFJHUSGBPGECY-APWZRJJASA-N 1 3 365.543 2.126 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000333580543 554625245 /nfs/dbraw/zinc/62/52/45/554625245.db2.gz NQVRSUDTROYPMI-ZKIDJSGLSA-N 1 3 356.514 2.276 20 0 FEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333588735 554625827 /nfs/dbraw/zinc/62/58/27/554625827.db2.gz UXVVVGNGQNUJCN-CWAFYDINSA-N 1 3 360.546 2.408 20 0 FEADHO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000333778222 554642065 /nfs/dbraw/zinc/64/20/65/554642065.db2.gz DHDUJZFNFMZTFN-CEXWTWQISA-N 1 3 371.591 2.337 20 0 FEADHO C[C@@H](NC(=O)NCC1(N2CCSCC2)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000333948018 554660152 /nfs/dbraw/zinc/66/01/52/554660152.db2.gz VZNLDRRPGBMFFO-CVEARBPZSA-N 1 3 354.564 2.035 20 0 FEADHO CC(C)CCC[C@@H](C)NC(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362263550 554959173 /nfs/dbraw/zinc/95/91/73/554959173.db2.gz WVLPARWEIFSBKJ-QUCCMNQESA-N 1 3 366.594 2.418 20 0 FEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000362860259 554993779 /nfs/dbraw/zinc/99/37/79/554993779.db2.gz SHWDOTCATVLCOK-WOJBJXKFSA-N 1 3 373.545 2.277 20 0 FEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000362860259 554993780 /nfs/dbraw/zinc/99/37/80/554993780.db2.gz SHWDOTCATVLCOK-WOJBJXKFSA-N 1 3 373.545 2.277 20 0 FEADHO CC[N@H+](CCNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)C1CC1 ZINC000362998759 555007078 /nfs/dbraw/zinc/00/70/78/555007078.db2.gz WVVAFFSSIUKTJL-SFHVURJKSA-N 1 3 359.518 2.077 20 0 FEADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)C1CC1 ZINC000362998759 555007081 /nfs/dbraw/zinc/00/70/81/555007081.db2.gz WVVAFFSSIUKTJL-SFHVURJKSA-N 1 3 359.518 2.077 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000363402080 555096163 /nfs/dbraw/zinc/09/61/63/555096163.db2.gz DRAGKLHVRBZWSJ-UXHICEINSA-N 1 3 371.529 2.173 20 0 FEADHO C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](N3CC=CC3)C2)[C@@H]1c1cccs1 ZINC000363494160 555120294 /nfs/dbraw/zinc/12/02/94/555120294.db2.gz ZJIMIVRRLXYRJY-JFIYKMOQSA-N 1 3 360.527 2.397 20 0 FEADHO C[N@H+](CCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)C1CCCC1 ZINC000363519264 555125996 /nfs/dbraw/zinc/12/59/96/555125996.db2.gz CEKSVNAGRVNIEV-LJQANCHMSA-N 1 3 373.545 2.467 20 0 FEADHO C[N@@H+](CCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)C1CCCC1 ZINC000363519264 555125997 /nfs/dbraw/zinc/12/59/97/555125997.db2.gz CEKSVNAGRVNIEV-LJQANCHMSA-N 1 3 373.545 2.467 20 0 FEADHO O=C(C[C@@H]1CCC[NH2+]CC1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000364461923 555318026 /nfs/dbraw/zinc/31/80/26/555318026.db2.gz BNFCKYWVPYYCFC-QGZVFWFLSA-N 1 3 359.514 2.039 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N(C)CC[NH+](C)C)N(C)C)cc1 ZINC000512817148 561916516 /nfs/dbraw/zinc/91/65/16/561916516.db2.gz XZKZOKIQPFVDGM-SFHVURJKSA-N 1 3 350.507 2.280 20 0 FEADHO C[N@H+](CCOCC(F)(F)C(F)F)C1CCN(C2CCOCC2)CC1 ZINC000365005899 555462608 /nfs/dbraw/zinc/46/26/08/555462608.db2.gz UUBTYANTVHNCJE-UHFFFAOYSA-N 1 3 356.404 2.479 20 0 FEADHO C[N@@H+](CCOCC(F)(F)C(F)F)C1CCN(C2CCOCC2)CC1 ZINC000365005899 555462610 /nfs/dbraw/zinc/46/26/10/555462610.db2.gz UUBTYANTVHNCJE-UHFFFAOYSA-N 1 3 356.404 2.479 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000365321749 555541730 /nfs/dbraw/zinc/54/17/30/555541730.db2.gz HSDFTMIFJZIQLV-XUVXKRRUSA-N 1 3 356.514 2.244 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000365321749 555541732 /nfs/dbraw/zinc/54/17/32/555541732.db2.gz HSDFTMIFJZIQLV-XUVXKRRUSA-N 1 3 356.514 2.244 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[N@@H+]1CCC[C@H](C)C1 ZINC000365872696 555689030 /nfs/dbraw/zinc/68/90/30/555689030.db2.gz ATNZPMRPHUZQBZ-OKZBNKHCSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[N@H+]1CCC[C@H](C)C1 ZINC000365872696 555689031 /nfs/dbraw/zinc/68/90/31/555689031.db2.gz ATNZPMRPHUZQBZ-OKZBNKHCSA-N 1 3 366.550 2.002 20 0 FEADHO CSc1ccc(OC[C@@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000514597625 561968748 /nfs/dbraw/zinc/96/87/48/561968748.db2.gz VCINTPMYIJOHOD-SJORKVTESA-N 1 3 368.543 2.239 20 0 FEADHO CSc1ccc(OC[C@@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000514597625 561968749 /nfs/dbraw/zinc/96/87/49/561968749.db2.gz VCINTPMYIJOHOD-SJORKVTESA-N 1 3 368.543 2.239 20 0 FEADHO C[C@H]1CN(CCC(=O)OCc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367582049 556088587 /nfs/dbraw/zinc/08/85/87/556088587.db2.gz HUUIVNULIMVQND-ICSRJNTNSA-N 1 3 359.514 2.078 20 0 FEADHO C[C@H]1C[N@H+](CCC(=O)OCc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000367582049 556088591 /nfs/dbraw/zinc/08/85/91/556088591.db2.gz HUUIVNULIMVQND-ICSRJNTNSA-N 1 3 359.514 2.078 20 0 FEADHO C[C@H]1C[N@@H+](CCC(=O)OCc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000367582049 556088595 /nfs/dbraw/zinc/08/85/95/556088595.db2.gz HUUIVNULIMVQND-ICSRJNTNSA-N 1 3 359.514 2.078 20 0 FEADHO COC(=O)c1ccc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000367674195 556111137 /nfs/dbraw/zinc/11/11/37/556111137.db2.gz UNXKKECJOBWLDP-HNNXBMFYSA-N 1 3 351.516 2.135 20 0 FEADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000514884015 561985182 /nfs/dbraw/zinc/98/51/82/561985182.db2.gz HPCMZDRPGBLKDG-SFHVURJKSA-N 1 3 353.457 2.072 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H](N)C3)CC2)cc1 ZINC000515498300 562013205 /nfs/dbraw/zinc/01/32/05/562013205.db2.gz FZYRFFPTNKDHJS-NVXWUHKLSA-N 1 3 365.543 2.309 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC(N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000515498300 562013206 /nfs/dbraw/zinc/01/32/06/562013206.db2.gz FZYRFFPTNKDHJS-NVXWUHKLSA-N 1 3 365.543 2.309 20 0 FEADHO CCc1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000369442740 556601784 /nfs/dbraw/zinc/60/17/84/556601784.db2.gz ZEJQFKWFRCDOJG-RDJZCZTQSA-N 1 3 357.502 2.447 20 0 FEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000369572556 556634974 /nfs/dbraw/zinc/63/49/74/556634974.db2.gz ZINBAUDEXDYKEZ-HNJRGHQBSA-N 1 3 373.545 2.494 20 0 FEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000369572556 556634977 /nfs/dbraw/zinc/63/49/77/556634977.db2.gz ZINBAUDEXDYKEZ-HNJRGHQBSA-N 1 3 373.545 2.494 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000369572559 556635329 /nfs/dbraw/zinc/63/53/29/556635329.db2.gz ZINBAUDEXDYKEZ-ZULIPRJHSA-N 1 3 373.545 2.494 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000369572559 556635330 /nfs/dbraw/zinc/63/53/30/556635330.db2.gz ZINBAUDEXDYKEZ-ZULIPRJHSA-N 1 3 373.545 2.494 20 0 FEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369660182 556661297 /nfs/dbraw/zinc/66/12/97/556661297.db2.gz GPJRXPVVBFULRH-FCGDIQPGSA-N 1 3 351.535 2.255 20 0 FEADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369660182 556661299 /nfs/dbraw/zinc/66/12/99/556661299.db2.gz GPJRXPVVBFULRH-FCGDIQPGSA-N 1 3 351.535 2.255 20 0 FEADHO CN(C)C(=O)COc1ccccc1CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000369703694 556673353 /nfs/dbraw/zinc/67/33/53/556673353.db2.gz NLUIWKZVNBFUHZ-UHFFFAOYSA-N 1 3 359.514 2.461 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1(C)C ZINC000369814531 556703097 /nfs/dbraw/zinc/70/30/97/556703097.db2.gz QUZLBBBBEOMTNQ-UEXGIBASSA-N 1 3 359.514 2.252 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1(C)C ZINC000369814531 556703099 /nfs/dbraw/zinc/70/30/99/556703099.db2.gz QUZLBBBBEOMTNQ-UEXGIBASSA-N 1 3 359.514 2.252 20 0 FEADHO O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000369871685 556717898 /nfs/dbraw/zinc/71/78/98/556717898.db2.gz LYNKNUKYKGQKCT-QGZVFWFLSA-N 1 3 364.559 2.004 20 0 FEADHO C[C@H]1CN(CCC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C[C@H](C)O1 ZINC000370526663 556900195 /nfs/dbraw/zinc/90/01/95/556900195.db2.gz FOGAOUWWDSTILL-ROUUACIJSA-N 1 3 363.546 2.353 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCCNC(=O)c1ccccc1F ZINC000370677300 556936975 /nfs/dbraw/zinc/93/69/75/556936975.db2.gz UKBIEPFTBLLBLK-JTDSTZFVSA-N 1 3 363.477 2.035 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCCNC(=O)c1ccccc1F ZINC000370677300 556936980 /nfs/dbraw/zinc/93/69/80/556936980.db2.gz UKBIEPFTBLLBLK-JTDSTZFVSA-N 1 3 363.477 2.035 20 0 FEADHO Cc1cccc(C(=O)NCCN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000370676644 556937163 /nfs/dbraw/zinc/93/71/63/556937163.db2.gz MTMZBVOWHRYXJC-DFQSSKMNSA-N 1 3 359.514 2.204 20 0 FEADHO Cc1cccc(C(=O)NCCN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000370676644 556937165 /nfs/dbraw/zinc/93/71/65/556937165.db2.gz MTMZBVOWHRYXJC-DFQSSKMNSA-N 1 3 359.514 2.204 20 0 FEADHO CCN1CCc2c(cccc2NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)C1 ZINC000370710244 556946023 /nfs/dbraw/zinc/94/60/23/556946023.db2.gz VZPVUVIDSARBAH-QGZVFWFLSA-N 1 3 374.529 2.096 20 0 FEADHO O=C(NC1CCN(CCc2ccncc2)CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000370778244 556965740 /nfs/dbraw/zinc/96/57/40/556965740.db2.gz DSZYOEFTXWWXBH-RLLQIKCJSA-N 1 3 356.514 2.125 20 0 FEADHO CC1CCN([C@H](CNC(=O)COC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000518175979 562105745 /nfs/dbraw/zinc/10/57/45/562105745.db2.gz OZLWTDDDRMYCID-QGZVFWFLSA-N 1 3 365.543 2.406 20 0 FEADHO Cc1cnc(OC(C)C)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000517870507 562099436 /nfs/dbraw/zinc/09/94/36/562099436.db2.gz HNDOZHUSPHWRSZ-UHFFFAOYSA-N 1 3 351.495 2.134 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000519181749 562126757 /nfs/dbraw/zinc/12/67/57/562126757.db2.gz PJDCTNIAIJFDIR-MAZHCROVSA-N 1 3 371.319 2.468 20 0 FEADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3n[nH]c4c3CNCC4)cc2)C1 ZINC000372462956 557477188 /nfs/dbraw/zinc/47/71/88/557477188.db2.gz JKSGFDCXGVGOMO-CQSZACIVSA-N 1 3 369.469 2.028 20 0 FEADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3n[nH]c4c3CNCC4)cc2)C1 ZINC000372462956 557477192 /nfs/dbraw/zinc/47/71/92/557477192.db2.gz JKSGFDCXGVGOMO-CQSZACIVSA-N 1 3 369.469 2.028 20 0 FEADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372524135 557492216 /nfs/dbraw/zinc/49/22/16/557492216.db2.gz TVZMVSDARTVLIL-FHWLQOOXSA-N 1 3 361.534 2.350 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000519407392 562131325 /nfs/dbraw/zinc/13/13/25/562131325.db2.gz IWCGWATZMOJHCL-PZJWPPBQSA-N 1 3 370.541 2.433 20 0 FEADHO Cc1cc(N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c2ccccc2n1 ZINC000372993905 557605593 /nfs/dbraw/zinc/60/55/93/557605593.db2.gz XXULKVIOZUFEHO-INIZCTEOSA-N 1 3 359.495 2.289 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCNc3ccccn3)CC2)CC1 ZINC000519831831 562145865 /nfs/dbraw/zinc/14/58/65/562145865.db2.gz DDWCVIKOXWDOPG-UHFFFAOYSA-N 1 3 373.545 2.196 20 0 FEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000373260567 557660617 /nfs/dbraw/zinc/66/06/17/557660617.db2.gz LZODMKCCJNDYMY-QZTJIDSGSA-N 1 3 366.550 2.146 20 0 FEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000373260567 557660620 /nfs/dbraw/zinc/66/06/20/557660620.db2.gz LZODMKCCJNDYMY-QZTJIDSGSA-N 1 3 366.550 2.146 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000520960257 562166552 /nfs/dbraw/zinc/16/65/52/562166552.db2.gz WIJDJEYTHJXNEG-IRXDYDNUSA-N 1 3 361.530 2.382 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000375965076 558106080 /nfs/dbraw/zinc/10/60/80/558106080.db2.gz WHPMDOBSQZMWNN-CVEARBPZSA-N 1 3 350.532 2.448 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000375965076 558106081 /nfs/dbraw/zinc/10/60/81/558106081.db2.gz WHPMDOBSQZMWNN-CVEARBPZSA-N 1 3 350.532 2.448 20 0 FEADHO CCOC(=O)CC(C)(C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000376760591 558218256 /nfs/dbraw/zinc/21/82/56/558218256.db2.gz MJIPOXVZMDKNOI-UHFFFAOYSA-N 1 3 367.534 2.031 20 0 FEADHO CCN1CCC[C@@H](CN(C)C(=O)C23CCC[NH+]2CCC3)[C@@H]1c1cnn(C)c1 ZINC000377337993 558318819 /nfs/dbraw/zinc/31/88/19/558318819.db2.gz RYGMNQHLQRYPLR-PKOBYXMFSA-N 1 3 373.545 2.280 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(-n2ccnc2)c1 ZINC000522761345 562203345 /nfs/dbraw/zinc/20/33/45/562203345.db2.gz PNRSKJQJXHDLPJ-HXUWFJFHSA-N 1 3 369.513 2.360 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(-n2ccnc2)c1 ZINC000522761345 562203346 /nfs/dbraw/zinc/20/33/46/562203346.db2.gz PNRSKJQJXHDLPJ-HXUWFJFHSA-N 1 3 369.513 2.360 20 0 FEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000378112666 558484353 /nfs/dbraw/zinc/48/43/53/558484353.db2.gz OGZYYGCUNZUFMA-YDZRNGNQSA-N 1 3 368.566 2.295 20 0 FEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000378112666 558484355 /nfs/dbraw/zinc/48/43/55/558484355.db2.gz OGZYYGCUNZUFMA-YDZRNGNQSA-N 1 3 368.566 2.295 20 0 FEADHO CC(C)[C@@H]1C[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000378387147 558545496 /nfs/dbraw/zinc/54/54/96/558545496.db2.gz XNAQXBHMKUDRJV-MJGOQNOKSA-N 1 3 366.550 2.048 20 0 FEADHO COC(=O)c1ccc(CNCCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000378454946 558561552 /nfs/dbraw/zinc/56/15/52/558561552.db2.gz QNKGBVWEFAWZBV-UHFFFAOYSA-N 1 3 363.502 2.352 20 0 FEADHO Cc1nnc(N2CCC([NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000378630822 558597833 /nfs/dbraw/zinc/59/78/33/558597833.db2.gz HTBNOQKREKPTBW-HUUCEWRRSA-N 1 3 367.563 2.294 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(N(C)C)c(F)c1 ZINC000523748832 562219053 /nfs/dbraw/zinc/21/90/53/562219053.db2.gz LNZKGLULSVYIHZ-KRWDZBQOSA-N 1 3 364.509 2.380 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(N(C)C)c(F)c1 ZINC000523748832 562219054 /nfs/dbraw/zinc/21/90/54/562219054.db2.gz LNZKGLULSVYIHZ-KRWDZBQOSA-N 1 3 364.509 2.380 20 0 FEADHO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000524464145 562229036 /nfs/dbraw/zinc/22/90/36/562229036.db2.gz BXIRGQBQDSOBES-GOSISDBHSA-N 1 3 372.513 2.197 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000524467841 562229098 /nfs/dbraw/zinc/22/90/98/562229098.db2.gz UAUKCDXKBVUTEA-GOSISDBHSA-N 1 3 374.529 2.443 20 0 FEADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(OC(F)F)cc1 ZINC000524904605 562237431 /nfs/dbraw/zinc/23/74/31/562237431.db2.gz SSPODASDRLPXOT-AWEZNQCLSA-N 1 3 372.460 2.484 20 0 FEADHO CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(OC)cc1 ZINC000525449579 562248368 /nfs/dbraw/zinc/24/83/68/562248368.db2.gz NGVKCHFSQBGQFZ-SFHVURJKSA-N 1 3 350.507 2.281 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)ccc1CN(C)C ZINC000411324323 558877114 /nfs/dbraw/zinc/87/71/14/558877114.db2.gz YCNASSMVEHLQMJ-UHFFFAOYSA-N 1 3 374.529 2.232 20 0 FEADHO CN(C)C(=O)CCN1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411345795 558881300 /nfs/dbraw/zinc/88/13/00/558881300.db2.gz LGSTYRUWICYZMX-UHFFFAOYSA-N 1 3 372.557 2.268 20 0 FEADHO COC(=O)[C@@H](O)C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411400794 558888353 /nfs/dbraw/zinc/88/83/53/558888353.db2.gz OZLJUNXYHPGSGS-FQEVSTJZSA-N 1 3 360.498 2.418 20 0 FEADHO COC(=O)[C@@H]1CN(C)CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411918730 558988106 /nfs/dbraw/zinc/98/81/06/558988106.db2.gz PIUKSSCGNVGMOF-HXUWFJFHSA-N 1 3 359.514 2.209 20 0 FEADHO COc1cc(CN2C[C@H](O)C[C@H](C)C2)cc(C[N@H+]2C[C@H](O)C[C@H](C)C2)c1 ZINC000412025288 559003782 /nfs/dbraw/zinc/00/37/82/559003782.db2.gz GRLDLNNZNRIGPH-XAMWDVODSA-N 1 3 362.514 2.101 20 0 FEADHO COc1cc(CN2C[C@H](O)C[C@H](C)C2)cc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)c1 ZINC000412025288 559003783 /nfs/dbraw/zinc/00/37/83/559003783.db2.gz GRLDLNNZNRIGPH-XAMWDVODSA-N 1 3 362.514 2.101 20 0 FEADHO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cccc(CN2CCCCC2)c1 ZINC000412373717 559031891 /nfs/dbraw/zinc/03/18/91/559031891.db2.gz NABCKSNTADQLKE-FQEVSTJZSA-N 1 3 359.514 2.249 20 0 FEADHO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cccc(CN2CCCCC2)c1 ZINC000412373717 559031892 /nfs/dbraw/zinc/03/18/92/559031892.db2.gz NABCKSNTADQLKE-FQEVSTJZSA-N 1 3 359.514 2.249 20 0 FEADHO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(CN2CCCCC2)c1 ZINC000413623969 559120867 /nfs/dbraw/zinc/12/08/67/559120867.db2.gz INDRKQGVYYKCRR-HXUWFJFHSA-N 1 3 359.514 2.249 20 0 FEADHO CC(C)Cc1ncc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000526810350 562268762 /nfs/dbraw/zinc/26/87/62/562268762.db2.gz JAUCPQDBPNLPJS-UHFFFAOYSA-N 1 3 374.533 2.355 20 0 FEADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)cc1 ZINC000413824641 559133076 /nfs/dbraw/zinc/13/30/76/559133076.db2.gz WVUSKYGANMDFND-HXUWFJFHSA-N 1 3 361.530 2.495 20 0 FEADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)cc1 ZINC000413824641 559133078 /nfs/dbraw/zinc/13/30/78/559133078.db2.gz WVUSKYGANMDFND-HXUWFJFHSA-N 1 3 361.530 2.495 20 0 FEADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000414113728 559149739 /nfs/dbraw/zinc/14/97/39/559149739.db2.gz OGCIOTLNDGOJFP-SNPRPXQTSA-N 1 3 356.308 2.462 20 0 FEADHO COc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c(C)c1 ZINC000414190673 559152173 /nfs/dbraw/zinc/15/21/73/559152173.db2.gz KSLZNTCJZSMXAR-SFHVURJKSA-N 1 3 361.530 2.451 20 0 FEADHO COc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c(C)c1 ZINC000414190669 559152206 /nfs/dbraw/zinc/15/22/06/559152206.db2.gz KSLZNTCJZSMXAR-GOSISDBHSA-N 1 3 361.530 2.451 20 0 FEADHO CN1CCC(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)(N2CCOCC2)CC1 ZINC000414200996 559152802 /nfs/dbraw/zinc/15/28/02/559152802.db2.gz SFXOJTWISLNLTJ-CVEARBPZSA-N 1 3 363.468 2.494 20 0 FEADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CCOCC1 ZINC000414332483 559156868 /nfs/dbraw/zinc/15/68/68/559156868.db2.gz VFUMKEXWKXVCPM-MRXNPFEDSA-N 1 3 359.514 2.289 20 0 FEADHO C[NH+]1CCC(CNCc2cc(Cl)ccc2F)(N2CCOCC2)CC1 ZINC000414489918 559168038 /nfs/dbraw/zinc/16/80/38/559168038.db2.gz WKEKFSKOYFCAQU-UHFFFAOYSA-N 1 3 355.885 2.365 20 0 FEADHO COC(=O)CCCN1CCC(N(CC[NH3+])c2ccc3ccccc3n2)CC1 ZINC000414490634 559168228 /nfs/dbraw/zinc/16/82/28/559168228.db2.gz ORMHFKGTZZCTDV-UHFFFAOYSA-N 1 3 370.497 2.418 20 0 FEADHO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414737232 559183366 /nfs/dbraw/zinc/18/33/66/559183366.db2.gz AHPFHXOZUUOYFI-PBHICJAKSA-N 1 3 353.894 2.157 20 0 FEADHO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414737232 559183367 /nfs/dbraw/zinc/18/33/67/559183367.db2.gz AHPFHXOZUUOYFI-PBHICJAKSA-N 1 3 353.894 2.157 20 0 FEADHO C[C@H]1C[C@@H](CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414745499 559184262 /nfs/dbraw/zinc/18/42/62/559184262.db2.gz KQTHGNXQLARGTE-HOTGVXAUSA-N 1 3 365.905 2.251 20 0 FEADHO Clc1ccc(OC[C@@H]2CCCO2)c(CNCCCN2CC[NH2+]CC2)c1 ZINC000414787965 559187680 /nfs/dbraw/zinc/18/76/80/559187680.db2.gz ZXQBWJKUAJARNG-SFHVURJKSA-N 1 3 367.921 2.283 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)[C@@H]3CCCNC3)CC2)cc1 ZINC000414857694 559191107 /nfs/dbraw/zinc/19/11/07/559191107.db2.gz QCFRZAUGXWMPNM-DLBZAZTESA-N 1 3 365.543 2.126 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)cc1 ZINC000414896866 559193852 /nfs/dbraw/zinc/19/38/52/559193852.db2.gz AMGPMASPOHYMES-RDTXWAMCSA-N 1 3 358.486 2.026 20 0 FEADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414960873 559197462 /nfs/dbraw/zinc/19/74/62/559197462.db2.gz YNEWFAJXPRCCBN-GLJUWKHASA-N 1 3 358.486 2.482 20 0 FEADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414960873 559197463 /nfs/dbraw/zinc/19/74/63/559197463.db2.gz YNEWFAJXPRCCBN-GLJUWKHASA-N 1 3 358.486 2.482 20 0 FEADHO FC(F)(F)[C@H](CNCc1ccc(OCC2CC2)cc1)N1CC[NH2+]CC1 ZINC000414975571 559198136 /nfs/dbraw/zinc/19/81/36/559198136.db2.gz OUGCLNGOIWBRTA-KRWDZBQOSA-N 1 3 357.420 2.401 20 0 FEADHO FC(F)(F)[C@@H](CNCc1cc(Br)cs1)N1CC[NH2+]CC1 ZINC000414985033 559198939 /nfs/dbraw/zinc/19/89/39/559198939.db2.gz MSHPQTITABEJBI-LLVKDONJSA-N 1 3 372.254 2.436 20 0 FEADHO Cn1cc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(-c2ccccc2)n1 ZINC000414995789 559199604 /nfs/dbraw/zinc/19/96/04/559199604.db2.gz WKIKGZMVROBNEH-MRXNPFEDSA-N 1 3 367.419 2.013 20 0 FEADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CNCCCO1 ZINC000415049313 559202452 /nfs/dbraw/zinc/20/24/52/559202452.db2.gz XWIMSFUNQSNWAG-GDBMZVCRSA-N 1 3 353.894 2.045 20 0 FEADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415063630 559203274 /nfs/dbraw/zinc/20/32/74/559203274.db2.gz AQUHLEHHFRXOTG-WBVHZDCISA-N 1 3 362.543 2.479 20 0 FEADHO O=C(NCC[C@H]1CC[NH2+]C1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415064381 559203288 /nfs/dbraw/zinc/20/32/88/559203288.db2.gz CKMMBRXBOSPWQJ-QGZVFWFLSA-N 1 3 362.543 2.399 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC000415076502 559204155 /nfs/dbraw/zinc/20/41/55/559204155.db2.gz CREATIZLWYIKAS-INIZCTEOSA-N 1 3 372.444 2.300 20 0 FEADHO Cc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415075904 559204191 /nfs/dbraw/zinc/20/41/91/559204191.db2.gz APKDWEGSOKNERC-ZDUSSCGKSA-N 1 3 354.292 2.044 20 0 FEADHO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415125316 559206666 /nfs/dbraw/zinc/20/66/66/559206666.db2.gz SHVWZQDGKROPSN-QGZVFWFLSA-N 1 3 369.513 2.283 20 0 FEADHO Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CCC(O)(C[NH3+])CC1 ZINC000415135670 559207589 /nfs/dbraw/zinc/20/75/89/559207589.db2.gz BFYOBKIBIVVKFN-UHFFFAOYSA-N 1 3 350.413 2.053 20 0 FEADHO Cc1cc(C)c(CN2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(C)c1 ZINC000415137397 559207694 /nfs/dbraw/zinc/20/76/94/559207694.db2.gz IXDBCCTVSFSBGJ-WOJBJXKFSA-N 1 3 356.514 2.332 20 0 FEADHO Cc1ccc(NC(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000415198586 559214092 /nfs/dbraw/zinc/21/40/92/559214092.db2.gz COPDBBRDTGQQFC-GDBMZVCRSA-N 1 3 364.490 2.170 20 0 FEADHO CCCC[C@H](CN)NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415505572 559244625 /nfs/dbraw/zinc/24/46/25/559244625.db2.gz YEYLJXHWUIYJJH-LJQANCHMSA-N 1 3 374.529 2.491 20 0 FEADHO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415791057 559271490 /nfs/dbraw/zinc/27/14/90/559271490.db2.gz SAQYCYVXUYEJCW-MRXNPFEDSA-N 1 3 360.502 2.245 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)c(N)c1 ZINC000415843084 559277474 /nfs/dbraw/zinc/27/74/74/559277474.db2.gz SCAXZZRFTCTUIG-MRXNPFEDSA-N 1 3 363.506 2.157 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)c(N)c1 ZINC000415843084 559277476 /nfs/dbraw/zinc/27/74/76/559277476.db2.gz SCAXZZRFTCTUIG-MRXNPFEDSA-N 1 3 363.506 2.157 20 0 FEADHO O=C(Nc1ccc2c(c1)CNCC2)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000415904341 559281857 /nfs/dbraw/zinc/28/18/57/559281857.db2.gz YJJZSJJAHVZORQ-WOJBJXKFSA-N 1 3 372.513 2.222 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)Nc2ccc(OCC[NH3+])cc2)c1 ZINC000415931413 559283180 /nfs/dbraw/zinc/28/31/80/559283180.db2.gz BOQZDKQYNKBHHJ-UHFFFAOYSA-N 1 3 372.469 2.286 20 0 FEADHO [NH3+]Cc1ccc(NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)cc1 ZINC000415958594 559284775 /nfs/dbraw/zinc/28/47/75/559284775.db2.gz NYYWLQPAMUIVJM-IBGZPJMESA-N 1 3 354.454 2.034 20 0 FEADHO [NH3+]Cc1cc(NC(=O)NC[C@H]2CCCN2CCCO)cc(C(F)(F)F)c1 ZINC000415967920 559285581 /nfs/dbraw/zinc/28/55/81/559285581.db2.gz IJQJTJKOGYXJGQ-OAHLLOKOSA-N 1 3 374.407 2.132 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)NC[C@@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000416832455 559334322 /nfs/dbraw/zinc/33/43/22/559334322.db2.gz BOYAODYUICCEEW-AZUAARDMSA-N 1 3 362.518 2.137 20 0 FEADHO CO[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)[C@H](C[NH3+])C1 ZINC000416849967 559335089 /nfs/dbraw/zinc/33/50/89/559335089.db2.gz YXCKZHSDOKNRAQ-ARFHVFGLSA-N 1 3 366.531 2.033 20 0 FEADHO CCN(CC)[C@H](CNC(=O)NCC1=CC[NH2+]CC1)c1cccc(OC)c1 ZINC000416903216 559337373 /nfs/dbraw/zinc/33/73/73/559337373.db2.gz CBQIQRQGSBZYJP-LJQANCHMSA-N 1 3 360.502 2.297 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1cccc(OC)c1 ZINC000416905689 559337525 /nfs/dbraw/zinc/33/75/25/559337525.db2.gz GPZKFBJKTTXAFO-AYOQOUSVSA-N 1 3 362.518 2.375 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)c1cccc(OC)c1 ZINC000416918721 559338338 /nfs/dbraw/zinc/33/83/38/559338338.db2.gz JEOWNDAIPRBADX-QUCCMNQESA-N 1 3 362.518 2.458 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N(C)C1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000416922550 559338524 /nfs/dbraw/zinc/33/85/24/559338524.db2.gz MVOZCNGURFGQCV-IBGZPJMESA-N 1 3 362.518 2.472 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)NCC3([NH3+])CCC3)CC2)c1 ZINC000417052621 559345864 /nfs/dbraw/zinc/34/58/64/559345864.db2.gz QJHJDIMDMLBCSW-UHFFFAOYSA-N 1 3 373.545 2.078 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NCCCCN2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000417159855 559350512 /nfs/dbraw/zinc/35/05/12/559350512.db2.gz XRRZGOMTWOTTMH-MOPGFXCFSA-N 1 3 373.545 2.029 20 0 FEADHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417356998 559358985 /nfs/dbraw/zinc/35/89/85/559358985.db2.gz CTPWGTTVCMDHQK-HZPDHXFCSA-N 1 3 350.532 2.354 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417367063 559359550 /nfs/dbraw/zinc/35/95/50/559359550.db2.gz PHJYFPNZOXGLKV-SFHVURJKSA-N 1 3 374.529 2.158 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)N1CCNC(C)(C)C1)c1ccccc1 ZINC000417489358 559364256 /nfs/dbraw/zinc/36/42/56/559364256.db2.gz FLGBYNYLYHUXDX-SFHVURJKSA-N 1 3 362.518 2.089 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)N1CCNC(C)(C)C1)c1ccccc1 ZINC000417489358 559364257 /nfs/dbraw/zinc/36/42/57/559364257.db2.gz FLGBYNYLYHUXDX-SFHVURJKSA-N 1 3 362.518 2.089 20 0 FEADHO CCCN(C(=O)NCc1ccc(OCCN2CCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000417589055 559368218 /nfs/dbraw/zinc/36/82/18/559368218.db2.gz GGCLWZZSNXRTJF-IBGZPJMESA-N 1 3 374.529 2.445 20 0 FEADHO C[C@@]1(CNC(=O)NCc2ccc(OCCN3CCCC3)cc2)CCC[NH2+]C1 ZINC000417596073 559368741 /nfs/dbraw/zinc/36/87/41/559368741.db2.gz PIRHXKNZZJWEER-OAQYLSRUSA-N 1 3 374.529 2.350 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(OCCN3CCCC3)cc2)CC[NH2+]1 ZINC000417597990 559368813 /nfs/dbraw/zinc/36/88/13/559368813.db2.gz WMXKCPYJSWLUCF-WMZOPIPTSA-N 1 3 360.502 2.101 20 0 FEADHO CC(C)C[C@H](CNC(=O)NC[C@@H]1CNCCO1)[NH2+][C@@H](C)c1ccccc1 ZINC000417873153 559380238 /nfs/dbraw/zinc/38/02/38/559380238.db2.gz LIIATUMWKXOYIP-UHOSZYNNSA-N 1 3 362.518 2.040 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418013215 559386592 /nfs/dbraw/zinc/38/65/92/559386592.db2.gz MUJLGXCREAKBJY-PKOBYXMFSA-N 1 3 356.514 2.292 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418013214 559386660 /nfs/dbraw/zinc/38/66/60/559386660.db2.gz MUJLGXCREAKBJY-MJGOQNOKSA-N 1 3 356.514 2.292 20 0 FEADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418101681 559390210 /nfs/dbraw/zinc/39/02/10/559390210.db2.gz GHAJQMGDTPDDGK-OGVSOVDVSA-N 1 3 374.451 2.328 20 0 FEADHO CN(CC(C)(C)C[NH3+])C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418156123 559392229 /nfs/dbraw/zinc/39/22/29/559392229.db2.gz AHVDCYFMJZHVRQ-UHFFFAOYSA-N 1 3 362.518 2.286 20 0 FEADHO COC[C@]1(CNC(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)CCC[NH2+]1 ZINC000418177606 559393080 /nfs/dbraw/zinc/39/30/80/559393080.db2.gz IAKCFYAOEMGGHP-ILZDJORESA-N 1 3 362.518 2.054 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000418191128 559393556 /nfs/dbraw/zinc/39/35/56/559393556.db2.gz KFBXFEGLQXHTPT-SLYNCCJLSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NCCCNCc1cccnc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000418321151 559397410 /nfs/dbraw/zinc/39/74/10/559397410.db2.gz ACHBICICMJSCDW-ICSRJNTNSA-N 1 3 371.529 2.220 20 0 FEADHO O=C(NCCCNCc1cccnc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000418321151 559397411 /nfs/dbraw/zinc/39/74/11/559397411.db2.gz ACHBICICMJSCDW-ICSRJNTNSA-N 1 3 371.529 2.220 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418333183 559397894 /nfs/dbraw/zinc/39/78/94/559397894.db2.gz GLFKKJSWDHQKSQ-HKUYNNGSSA-N 1 3 359.518 2.077 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418428712 559401234 /nfs/dbraw/zinc/40/12/34/559401234.db2.gz MORWAIRSZIELBY-LJQANCHMSA-N 1 3 362.518 2.219 20 0 FEADHO CCC([NH3+])(CC)CNC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000418439435 559401603 /nfs/dbraw/zinc/40/16/03/559401603.db2.gz NWEUDGVYNUIERB-UHFFFAOYSA-N 1 3 350.507 2.286 20 0 FEADHO C[C@@H](C[NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000418462508 559402612 /nfs/dbraw/zinc/40/26/12/559402612.db2.gz BNHLMKRNVDGBFO-ZDUSSCGKSA-N 1 3 360.424 2.373 20 0 FEADHO CN(C)[C@@H]1CCCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000418560082 559406365 /nfs/dbraw/zinc/40/63/65/559406365.db2.gz DAINHXVYHITXKW-VKJFTORMSA-N 1 3 366.456 2.146 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N2CCCN(CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000418616728 559408008 /nfs/dbraw/zinc/40/80/08/559408008.db2.gz YWIKGKMURXBSPD-ICSRJNTNSA-N 1 3 358.530 2.477 20 0 FEADHO CCN(C(=O)NC[C@]1(COC)CCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418652921 559409852 /nfs/dbraw/zinc/40/98/52/559409852.db2.gz JSPWECDVMXKWIF-CTNGQTDRSA-N 1 3 374.529 2.061 20 0 FEADHO CN(C)CCOC1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418667898 559410462 /nfs/dbraw/zinc/41/04/62/559410462.db2.gz HRHCGIAYAOSUHW-IBGZPJMESA-N 1 3 362.518 2.219 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418786813 559416011 /nfs/dbraw/zinc/41/60/11/559416011.db2.gz IKIHUBBQZPEAIH-ZHALLVOQSA-N 1 3 362.493 2.287 20 0 FEADHO COc1ccc([C@@H](C[NH3+])CN(C)C2CCN(c3cccnn3)CC2)cc1 ZINC000420316195 559479928 /nfs/dbraw/zinc/47/99/28/559479928.db2.gz LOPHXQZMMVKFEB-KRWDZBQOSA-N 1 3 355.486 2.128 20 0 FEADHO CCCOc1ccc(CNC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420329204 559481009 /nfs/dbraw/zinc/48/10/09/559481009.db2.gz NZJQAZASBKZUDJ-MOPGFXCFSA-N 1 3 359.514 2.413 20 0 FEADHO Cc1cc(C)cc(OCCN(C)C(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420344715 559482079 /nfs/dbraw/zinc/48/20/79/559482079.db2.gz UJHIJVJHRSZIFI-KDURUIRLSA-N 1 3 359.514 2.072 20 0 FEADHO NCc1cn([C@@H]2CCC[N@H+](CCOc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000420371865 559483799 /nfs/dbraw/zinc/48/37/99/559483799.db2.gz DPZYNXUBTBQZLC-OAHLLOKOSA-N 1 3 369.391 2.472 20 0 FEADHO NCc1cn([C@@H]2CCC[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000420371865 559483800 /nfs/dbraw/zinc/48/38/00/559483800.db2.gz DPZYNXUBTBQZLC-OAHLLOKOSA-N 1 3 369.391 2.472 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@H](C)C[C@H](CO)C1 ZINC000420950858 559513670 /nfs/dbraw/zinc/51/36/70/559513670.db2.gz WTCZJCRGNJCBCF-GGPKGHCWSA-N 1 3 373.541 2.106 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3ccccc3C(=O)OC)CC2)CC1 ZINC000420974861 559515822 /nfs/dbraw/zinc/51/58/22/559515822.db2.gz FESJFJJNLQCVHZ-UHFFFAOYSA-N 1 3 359.514 2.465 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc([S@](C)=O)cc3)CC2)CC1 ZINC000421383665 559540867 /nfs/dbraw/zinc/54/08/67/559540867.db2.gz ZWVWXXHHJADXDE-VWLOTQADSA-N 1 3 363.571 2.416 20 0 FEADHO CCN1CCC([N@H+]2CCCN(Cc3ccc([S@](C)=O)cc3)CC2)CC1 ZINC000421383665 559540868 /nfs/dbraw/zinc/54/08/68/559540868.db2.gz ZWVWXXHHJADXDE-VWLOTQADSA-N 1 3 363.571 2.416 20 0 FEADHO CC[NH+]1CCC(N2CCCN(C(=O)c3ccc(CN(C)C)cc3)CC2)CC1 ZINC000422027236 559561366 /nfs/dbraw/zinc/56/13/66/559561366.db2.gz WHYNSXFQDSUHAP-UHFFFAOYSA-N 1 3 372.557 2.380 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422758156 559605722 /nfs/dbraw/zinc/60/57/22/559605722.db2.gz JCVGQFIRSABBJN-AJNGGQMLSA-N 1 3 355.429 2.209 20 0 FEADHO COc1cc(C[C@@H](CO)C[NH2+][C@H](C)c2ccc(CN)nc2C)cc(OC)c1 ZINC000422818095 559607361 /nfs/dbraw/zinc/60/73/61/559607361.db2.gz FPMVOCLSYJUFOD-RHSMWYFYSA-N 1 3 373.497 2.368 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2cnn(Cc3ccccc3)c2)CC[NH2+]CC1 ZINC000422832629 559607938 /nfs/dbraw/zinc/60/79/38/559607938.db2.gz LFIRKSURMAWEGN-KRWDZBQOSA-N 1 3 370.497 2.342 20 0 FEADHO NC[C@H]1CCC[C@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422880207 559609718 /nfs/dbraw/zinc/60/97/18/559609718.db2.gz NNDRNECXCYVQSS-UKRRQHHQSA-N 1 3 354.292 2.286 20 0 FEADHO CCN1CCN(c2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000422884439 559609878 /nfs/dbraw/zinc/60/98/78/559609878.db2.gz WZERFMAKJRVISN-VAMGGRTRSA-N 1 3 357.546 2.234 20 0 FEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000422909626 559610735 /nfs/dbraw/zinc/61/07/35/559610735.db2.gz GMFFHIFPWVRNHG-FXAWDEMLSA-N 1 3 360.546 2.378 20 0 FEADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])C1 ZINC000422911502 559610955 /nfs/dbraw/zinc/61/09/55/559610955.db2.gz TXGHRHNFONIIMA-SYAUCNOPSA-N 1 3 353.894 2.269 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422926780 559611494 /nfs/dbraw/zinc/61/14/94/559611494.db2.gz DZIUYBJDBLMGDE-WMZOPIPTSA-N 1 3 353.532 2.324 20 0 FEADHO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@@H](C)C[C@@H](C)N)CC2 ZINC000422952012 559612663 /nfs/dbraw/zinc/61/26/63/559612663.db2.gz BGVJLUGKNKNNJM-CABCVRRESA-N 1 3 363.502 2.084 20 0 FEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423167868 559621693 /nfs/dbraw/zinc/62/16/93/559621693.db2.gz FXDWQRIGWRQCAX-DVOMOZLQSA-N 1 3 359.283 2.456 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423167868 559621694 /nfs/dbraw/zinc/62/16/94/559621694.db2.gz FXDWQRIGWRQCAX-DVOMOZLQSA-N 1 3 359.283 2.456 20 0 FEADHO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCC[C@@H]2CN)cc1Br ZINC000423168505 559621884 /nfs/dbraw/zinc/62/18/84/559621884.db2.gz YDGCMTLIRLCJPE-SQWLQELKSA-N 1 3 371.319 2.326 20 0 FEADHO COc1ccc(C[C@H](CO)CN[C@@H]2CCC[C@@H]2C[NH3+])cc1Br ZINC000423168505 559621885 /nfs/dbraw/zinc/62/18/85/559621885.db2.gz YDGCMTLIRLCJPE-SQWLQELKSA-N 1 3 371.319 2.326 20 0 FEADHO COC[C@]1(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CC[NH2+]C1 ZINC000423353313 559626282 /nfs/dbraw/zinc/62/62/82/559626282.db2.gz LRRIOVUHWFXEAR-CTNGQTDRSA-N 1 3 359.514 2.202 20 0 FEADHO COc1ccc2c(c1)CCC[C@@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423388022 559627431 /nfs/dbraw/zinc/62/74/31/559627431.db2.gz MNTVSVZYHQNEJF-DLBZAZTESA-N 1 3 357.420 2.498 20 0 FEADHO CC(C)[C@@H](C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H](C)[NH3+] ZINC000423412509 559628192 /nfs/dbraw/zinc/62/81/92/559628192.db2.gz WXWCDSHOERDJAC-CRAIPNDOSA-N 1 3 360.502 2.070 20 0 FEADHO C[C@H](CCC[NH3+])N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423454546 559629605 /nfs/dbraw/zinc/62/96/05/559629605.db2.gz LPDQTSCLUKBIOG-ZWNOBZJWSA-N 1 3 361.305 2.385 20 0 FEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000423857003 559643095 /nfs/dbraw/zinc/64/30/95/559643095.db2.gz XGMFNEBDRTWBKG-UFYCRDLUSA-N 1 3 359.514 2.028 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1 ZINC000424428229 559664225 /nfs/dbraw/zinc/66/42/25/559664225.db2.gz SCGYADHLARZGLT-FQEVSTJZSA-N 1 3 368.481 2.342 20 0 FEADHO COC(=O)[C@H](CC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000425413847 559700977 /nfs/dbraw/zinc/70/09/77/559700977.db2.gz CAIRLBQDZFKSFC-TYPHKJRUSA-N 1 3 373.541 2.291 20 0 FEADHO COC(=O)[C@H](CC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000425413847 559700978 /nfs/dbraw/zinc/70/09/78/559700978.db2.gz CAIRLBQDZFKSFC-TYPHKJRUSA-N 1 3 373.541 2.291 20 0 FEADHO COC(=O)[C@H](CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000425413847 559700979 /nfs/dbraw/zinc/70/09/79/559700979.db2.gz CAIRLBQDZFKSFC-TYPHKJRUSA-N 1 3 373.541 2.291 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[N@@H+]1C ZINC000425473127 559704056 /nfs/dbraw/zinc/70/40/56/559704056.db2.gz WZMFUOPYQDVPFP-IJXRJRJASA-N 1 3 356.514 2.385 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[N@H+]1C ZINC000425473127 559704057 /nfs/dbraw/zinc/70/40/57/559704057.db2.gz WZMFUOPYQDVPFP-IJXRJRJASA-N 1 3 356.514 2.385 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CN1Cc1ccccc1 ZINC000425706127 559715533 /nfs/dbraw/zinc/71/55/33/559715533.db2.gz UMJZUDBZQFTYAS-FRYIKTPZSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CN1Cc1ccccc1 ZINC000425706127 559715534 /nfs/dbraw/zinc/71/55/34/559715534.db2.gz UMJZUDBZQFTYAS-FRYIKTPZSA-N 1 3 356.514 2.385 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc(COC)c1 ZINC000427101567 559747801 /nfs/dbraw/zinc/74/78/01/559747801.db2.gz PNTFYFUXMCPYRG-FQEVSTJZSA-N 1 3 361.530 2.250 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc(COC)c1 ZINC000427101567 559747802 /nfs/dbraw/zinc/74/78/02/559747802.db2.gz PNTFYFUXMCPYRG-FQEVSTJZSA-N 1 3 361.530 2.250 20 0 FEADHO O=C(C[C@@H]1CCC[NH2+]CC1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000427291694 559752328 /nfs/dbraw/zinc/75/23/28/559752328.db2.gz IWYKVEJGENZSLW-HXUWFJFHSA-N 1 3 372.557 2.090 20 0 FEADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000430941081 559831076 /nfs/dbraw/zinc/83/10/76/559831076.db2.gz UAVPUUUQPAJTQM-YJBOKZPZSA-N 1 3 373.497 2.181 20 0 FEADHO CCCC[N@H+](C)CCNC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000431137988 559834907 /nfs/dbraw/zinc/83/49/07/559834907.db2.gz JORSHLLCESUMQS-UHFFFAOYSA-N 1 3 350.511 2.312 20 0 FEADHO CCCC[N@@H+](C)CCNC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000431137988 559834908 /nfs/dbraw/zinc/83/49/08/559834908.db2.gz JORSHLLCESUMQS-UHFFFAOYSA-N 1 3 350.511 2.312 20 0 FEADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431853642 559847353 /nfs/dbraw/zinc/84/73/53/559847353.db2.gz JRTIHOBGCJZXEZ-QUCCMNQESA-N 1 3 360.546 2.069 20 0 FEADHO CCN1CCN(C[C@@H](C)CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431853640 559847375 /nfs/dbraw/zinc/84/73/75/559847375.db2.gz JRTIHOBGCJZXEZ-AZUAARDMSA-N 1 3 360.546 2.069 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433269456 559875285 /nfs/dbraw/zinc/87/52/85/559875285.db2.gz BLECLWGUVVSPTR-OTWHNJEPSA-N 1 3 368.566 2.155 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433269456 559875286 /nfs/dbraw/zinc/87/52/86/559875286.db2.gz BLECLWGUVVSPTR-OTWHNJEPSA-N 1 3 368.566 2.155 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCCO1 ZINC000433404294 559880131 /nfs/dbraw/zinc/88/01/31/559880131.db2.gz WDXNCDNMWQVJNO-SJORKVTESA-N 1 3 356.555 2.153 20 0 FEADHO CCN(CCC[NH+]1CCCC1)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433460325 559882168 /nfs/dbraw/zinc/88/21/68/559882168.db2.gz QBZRGVAWILPYAD-GOSISDBHSA-N 1 3 354.539 2.005 20 0 FEADHO COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000433928311 559890548 /nfs/dbraw/zinc/89/05/48/559890548.db2.gz YOFGGBKHKOVDCY-KRWDZBQOSA-N 1 3 366.550 2.192 20 0 FEADHO CC[C@@H](C(=O)N(Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2)N(CC)CC ZINC000435560583 559925125 /nfs/dbraw/zinc/92/51/25/559925125.db2.gz WQMFWNWXVYMQLW-DLBZAZTESA-N 1 3 361.534 2.011 20 0 FEADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NC[C@H]1CCCN1C ZINC000439168369 559989417 /nfs/dbraw/zinc/98/94/17/559989417.db2.gz JZRMBEMECCCVSU-CQSZACIVSA-N 1 3 352.445 2.386 20 0 FEADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000443059268 560068329 /nfs/dbraw/zinc/06/83/29/560068329.db2.gz MEASBZTWAMGGPY-GOSISDBHSA-N 1 3 359.514 2.255 20 0 FEADHO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443057849 560068516 /nfs/dbraw/zinc/06/85/16/560068516.db2.gz IJDDTCDXWNQUGW-JYJNAYRXSA-N 1 3 363.502 2.330 20 0 FEADHO C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000443332388 560080484 /nfs/dbraw/zinc/08/04/84/560080484.db2.gz XTXZRCCNSZQOSY-OPYAIIAOSA-N 1 3 373.541 2.380 20 0 FEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cncn1Cc1ccccc1 ZINC000445817340 560135240 /nfs/dbraw/zinc/13/52/40/560135240.db2.gz DEPIGSPGRVBILP-UHFFFAOYSA-N 1 3 355.530 2.389 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000446259953 560142802 /nfs/dbraw/zinc/14/28/02/560142802.db2.gz HVKBPGDGWPFKLI-NAIAOIPJSA-N 1 3 365.562 2.393 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000446259953 560142803 /nfs/dbraw/zinc/14/28/03/560142803.db2.gz HVKBPGDGWPFKLI-NAIAOIPJSA-N 1 3 365.562 2.393 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCCN2CCO)CC1 ZINC000449398613 560228992 /nfs/dbraw/zinc/22/89/92/560228992.db2.gz YIGCLVHVMPVYPO-NRFANRHFSA-N 1 3 374.573 2.155 20 0 FEADHO CC1(C)C[N@H+](CCC(=O)NC(N)=O)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453007312 560380788 /nfs/dbraw/zinc/38/07/88/560380788.db2.gz CXPONERJIPRLAR-LJQANCHMSA-N 1 3 372.513 2.194 20 0 FEADHO CC1(C)C[N@@H+](CCC(=O)NC(N)=O)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000453007312 560380789 /nfs/dbraw/zinc/38/07/89/560380789.db2.gz CXPONERJIPRLAR-LJQANCHMSA-N 1 3 372.513 2.194 20 0 FEADHO OC1CCN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453358154 560385697 /nfs/dbraw/zinc/38/56/97/560385697.db2.gz JYHRIEYJYWKYSZ-BHDDXSALSA-N 1 3 357.542 2.476 20 0 FEADHO OC1CCN(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453358154 560385698 /nfs/dbraw/zinc/38/56/98/560385698.db2.gz JYHRIEYJYWKYSZ-BHDDXSALSA-N 1 3 357.542 2.476 20 0 FEADHO OC1CCN(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453358154 560385699 /nfs/dbraw/zinc/38/56/99/560385699.db2.gz JYHRIEYJYWKYSZ-BHDDXSALSA-N 1 3 357.542 2.476 20 0 FEADHO C[C@@H](NC(=O)Nc1ccnn1CCN(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000455661192 560490866 /nfs/dbraw/zinc/49/08/66/560490866.db2.gz TWDLRSFQIVUNCU-CVEARBPZSA-N 1 3 362.522 2.219 20 0 FEADHO C[C@@H](NC(=O)Nc1ccnn1CCN(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000455661192 560490867 /nfs/dbraw/zinc/49/08/67/560490867.db2.gz TWDLRSFQIVUNCU-CVEARBPZSA-N 1 3 362.522 2.219 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000457125321 560551175 /nfs/dbraw/zinc/55/11/75/560551175.db2.gz QMDSJBOAKAPBQP-FQEVSTJZSA-N 1 3 358.530 2.383 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)cc2)CC1 ZINC000457125321 560551176 /nfs/dbraw/zinc/55/11/76/560551176.db2.gz QMDSJBOAKAPBQP-FQEVSTJZSA-N 1 3 358.530 2.383 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000457640309 560579315 /nfs/dbraw/zinc/57/93/15/560579315.db2.gz BUVVXICLLHUMEK-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H](C4CC4)[C@H]3C3CC3)CC2)CC1 ZINC000458142977 560605207 /nfs/dbraw/zinc/60/52/07/560605207.db2.gz ZUAMUOUMJASEJC-WOJBJXKFSA-N 1 3 360.546 2.375 20 0 FEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000458386709 560619421 /nfs/dbraw/zinc/61/94/21/560619421.db2.gz WOOMFQMFCVGFTJ-ZWKOTPCHSA-N 1 3 368.566 2.033 20 0 FEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000458386709 560619422 /nfs/dbraw/zinc/61/94/22/560619422.db2.gz WOOMFQMFCVGFTJ-ZWKOTPCHSA-N 1 3 368.566 2.033 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000458489882 560626803 /nfs/dbraw/zinc/62/68/03/560626803.db2.gz HLHVHMKIJUCVJZ-UHFFFAOYSA-N 1 3 356.555 2.295 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cncc(F)c1 ZINC000459175935 560672440 /nfs/dbraw/zinc/67/24/40/560672440.db2.gz RNMBKSYTWWKCFK-MAUKXSAKSA-N 1 3 365.497 2.339 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cncc(F)c1 ZINC000459175935 560672441 /nfs/dbraw/zinc/67/24/41/560672441.db2.gz RNMBKSYTWWKCFK-MAUKXSAKSA-N 1 3 365.497 2.339 20 0 FEADHO COc1cnccc1N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000459434042 560686376 /nfs/dbraw/zinc/68/63/76/560686376.db2.gz CKHRRFVLGZACJF-IBGZPJMESA-N 1 3 352.482 2.487 20 0 FEADHO COc1cnccc1N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459434042 560686377 /nfs/dbraw/zinc/68/63/77/560686377.db2.gz CKHRRFVLGZACJF-IBGZPJMESA-N 1 3 352.482 2.487 20 0 FEADHO CCO[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)[C@H]1Sc1ccccc1 ZINC000459443062 560686940 /nfs/dbraw/zinc/68/69/40/560686940.db2.gz XHWAGBOACNDTMD-KZNAEPCWSA-N 1 3 350.528 2.371 20 0 FEADHO O=C1c2ccccc2C(=O)N1CCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459540241 560692879 /nfs/dbraw/zinc/69/28/79/560692879.db2.gz QOITXBCGDASPIV-UHFFFAOYSA-N 1 3 364.449 2.326 20 0 FEADHO COc1cc(CNCC[C@H]2CCC[N@H+](C)C2)cc(Cl)c1OCC(N)=O ZINC000459737387 560705492 /nfs/dbraw/zinc/70/54/92/560705492.db2.gz RCBBYSOHKMWDRT-CYBMUJFWSA-N 1 3 369.893 2.034 20 0 FEADHO COc1cc(CNCC[C@H]2CCC[N@@H+](C)C2)cc(Cl)c1OCC(N)=O ZINC000459737387 560705493 /nfs/dbraw/zinc/70/54/93/560705493.db2.gz RCBBYSOHKMWDRT-CYBMUJFWSA-N 1 3 369.893 2.034 20 0 FEADHO CSC1(CNC(=O)c2ccccc2OCCN(C)C)CC[NH+](C)CC1 ZINC000460974783 560757847 /nfs/dbraw/zinc/75/78/47/560757847.db2.gz YHYCHQVSFBMSOU-UHFFFAOYSA-N 1 3 365.543 2.184 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1COc2ccccc21 ZINC000461752352 560781704 /nfs/dbraw/zinc/78/17/04/560781704.db2.gz UAGNYNQEUGFPPL-ZWKOTPCHSA-N 1 3 374.529 2.220 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1COc2ccccc21 ZINC000461752352 560781706 /nfs/dbraw/zinc/78/17/06/560781706.db2.gz UAGNYNQEUGFPPL-ZWKOTPCHSA-N 1 3 374.529 2.220 20 0 FEADHO CC[NH+]1CCC(N(C)C(=O)CCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000461999024 560791409 /nfs/dbraw/zinc/79/14/09/560791409.db2.gz AJQJDZRBDKRJDP-UHFFFAOYSA-N 1 3 372.557 2.450 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000464881949 560854422 /nfs/dbraw/zinc/85/44/22/560854422.db2.gz WSHFYMQBLBQKKI-OAQYLSRUSA-N 1 3 372.557 2.183 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000465608687 560869710 /nfs/dbraw/zinc/86/97/10/560869710.db2.gz TZPFNLWSYYUOQO-MOPGFXCFSA-N 1 3 368.566 2.393 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000465608687 560869711 /nfs/dbraw/zinc/86/97/11/560869711.db2.gz TZPFNLWSYYUOQO-MOPGFXCFSA-N 1 3 368.566 2.393 20 0 FEADHO CC[C@]1(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)CCC[NH2+]1 ZINC000467692718 560915110 /nfs/dbraw/zinc/91/51/10/560915110.db2.gz UQVQVYPWUVXODB-GHTZIAJQSA-N 1 3 372.513 2.324 20 0 FEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000468176627 560924167 /nfs/dbraw/zinc/92/41/67/560924167.db2.gz FATOGBOSYKMIOJ-MBOZVWFJSA-N 1 3 359.514 2.132 20 0 FEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000468176627 560924168 /nfs/dbraw/zinc/92/41/68/560924168.db2.gz FATOGBOSYKMIOJ-MBOZVWFJSA-N 1 3 359.514 2.132 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cnc(-c3ccccc3)[nH]2)C1)[C@@H]1CCC[NH2+]1 ZINC000469848884 560966517 /nfs/dbraw/zinc/96/65/17/560966517.db2.gz ORHQZWVQWIOKIC-APWZRJJASA-N 1 3 367.497 2.157 20 0 FEADHO COc1c(C)cc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1C ZINC000469867927 560967463 /nfs/dbraw/zinc/96/74/63/560967463.db2.gz ZAONSVOPANCSSZ-HKUYNNGSSA-N 1 3 359.514 2.392 20 0 FEADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000470013876 560972174 /nfs/dbraw/zinc/97/21/74/560972174.db2.gz RRCNDGHFMUDLIM-OAHLLOKOSA-N 1 3 364.921 2.227 20 0 FEADHO NC(=O)[C@H]1CCCN1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000470177792 560976185 /nfs/dbraw/zinc/97/61/85/560976185.db2.gz GCBVSHYLHBMFMY-OTYNDTSQSA-N 1 3 370.541 2.111 20 0 FEADHO C[NH+](C)CCn1c2cc(NC(=O)c3ccc4c(c3)CNC4)ccc2oc1=O ZINC000470373388 560979919 /nfs/dbraw/zinc/97/99/19/560979919.db2.gz DTUNZHJOLNQIPC-UHFFFAOYSA-N 1 3 366.421 2.012 20 0 FEADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470732677 560988215 /nfs/dbraw/zinc/98/82/15/560988215.db2.gz MIQWEEQZBFMSNK-LMMKCTJWSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470732677 560988216 /nfs/dbraw/zinc/98/82/16/560988216.db2.gz MIQWEEQZBFMSNK-LMMKCTJWSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCCOCC[NH+](C)C)CC1 ZINC000471632327 561009277 /nfs/dbraw/zinc/00/92/77/561009277.db2.gz BKLOKCZLMCQGFB-KRWDZBQOSA-N 1 3 362.518 2.089 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000472668080 561032307 /nfs/dbraw/zinc/03/23/07/561032307.db2.gz FLHQTFJVVWMPME-IAGOWNOFSA-N 1 3 367.559 2.395 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CC[N@H+](CC)C3)c2)CC1 ZINC000473842993 561058773 /nfs/dbraw/zinc/05/87/73/561058773.db2.gz YLNPAHPYFCVNMR-KRWDZBQOSA-N 1 3 359.518 2.292 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CC[N@@H+](CC)C3)c2)CC1 ZINC000473842993 561058774 /nfs/dbraw/zinc/05/87/74/561058774.db2.gz YLNPAHPYFCVNMR-KRWDZBQOSA-N 1 3 359.518 2.292 20 0 FEADHO CC[NH+](CC)CC1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000475037780 561088489 /nfs/dbraw/zinc/08/84/89/561088489.db2.gz GXMYOXVVXHNERI-OAQYLSRUSA-N 1 3 374.573 2.459 20 0 FEADHO CC[NH+]1CCN(c2cccc(NC(=O)N3CCNC[C@H]3C(C)C)c2)CC1 ZINC000528692268 562342286 /nfs/dbraw/zinc/34/22/86/562342286.db2.gz WOBIIFDOPPVXGG-IBGZPJMESA-N 1 3 359.518 2.290 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529347610 562370368 /nfs/dbraw/zinc/37/03/68/562370368.db2.gz AQSMSVQCHNYNII-HKUYNNGSSA-N 1 3 356.514 2.435 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529365992 562371221 /nfs/dbraw/zinc/37/12/21/562371221.db2.gz LCXBZPXSHBVCFU-OALUTQOASA-N 1 3 371.529 2.362 20 0 FEADHO C[NH+](C)[C@H](CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000531049420 562433228 /nfs/dbraw/zinc/43/32/28/562433228.db2.gz DGKCGGQUSCRUEK-IRLDBZIGSA-N 1 3 373.541 2.250 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)nn2C2CCN(C)CC2)C1 ZINC000531188917 562437630 /nfs/dbraw/zinc/43/76/30/562437630.db2.gz HWDRAOOLMOIUAL-INIZCTEOSA-N 1 3 362.522 2.264 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)nn2C2CCN(C)CC2)C1 ZINC000531188917 562437631 /nfs/dbraw/zinc/43/76/31/562437631.db2.gz HWDRAOOLMOIUAL-INIZCTEOSA-N 1 3 362.522 2.264 20 0 FEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)nn2C2CCN(C)CC2)C1 ZINC000531188918 562437719 /nfs/dbraw/zinc/43/77/19/562437719.db2.gz HWDRAOOLMOIUAL-MRXNPFEDSA-N 1 3 362.522 2.264 20 0 FEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)nn2C2CCN(C)CC2)C1 ZINC000531188918 562437720 /nfs/dbraw/zinc/43/77/20/562437720.db2.gz HWDRAOOLMOIUAL-MRXNPFEDSA-N 1 3 362.522 2.264 20 0 FEADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532689454 562485800 /nfs/dbraw/zinc/48/58/00/562485800.db2.gz KYRCKTODHLVPEB-HSALFYBXSA-N 1 3 356.514 2.236 20 0 FEADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532689454 562485801 /nfs/dbraw/zinc/48/58/01/562485801.db2.gz KYRCKTODHLVPEB-HSALFYBXSA-N 1 3 356.514 2.236 20 0 FEADHO C[C@H](C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)N1[C@H](C)CC[C@@H]1C ZINC000533453044 562509342 /nfs/dbraw/zinc/50/93/42/562509342.db2.gz ANMRDLXIYIFTCN-HPFXQQBRSA-N 1 3 359.518 2.422 20 0 FEADHO CCN(CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)C1CC1 ZINC000535849121 562569717 /nfs/dbraw/zinc/56/97/17/562569717.db2.gz OGHYCOUJKOXPKV-UXHICEINSA-N 1 3 364.578 2.266 20 0 FEADHO CCN(CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)C1CC1 ZINC000535849121 562569718 /nfs/dbraw/zinc/56/97/18/562569718.db2.gz OGHYCOUJKOXPKV-UXHICEINSA-N 1 3 364.578 2.266 20 0 FEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000536544655 562578533 /nfs/dbraw/zinc/57/85/33/562578533.db2.gz VNDGCIGVUWQAIC-FQEVSTJZSA-N 1 3 373.541 2.351 20 0 FEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000536544655 562578534 /nfs/dbraw/zinc/57/85/34/562578534.db2.gz VNDGCIGVUWQAIC-FQEVSTJZSA-N 1 3 373.541 2.351 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NCCNC(=O)c2ccccc2F)[C@@H](C)C1 ZINC000536854544 562581460 /nfs/dbraw/zinc/58/14/60/562581460.db2.gz YMWKBBTTXNTWTL-LPHOPBHVSA-N 1 3 365.493 2.282 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NCCNC(=O)c2ccccc2F)[C@@H](C)C1 ZINC000536854544 562581461 /nfs/dbraw/zinc/58/14/61/562581461.db2.gz YMWKBBTTXNTWTL-LPHOPBHVSA-N 1 3 365.493 2.282 20 0 FEADHO Cc1nn(-c2ccncc2)cc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000541536668 562614949 /nfs/dbraw/zinc/61/49/49/562614949.db2.gz HJOGYVCPBOXIAZ-LAUBAEHRSA-N 1 3 368.529 2.034 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000669110401 567880186 /nfs/dbraw/zinc/88/01/86/567880186.db2.gz KVLRPVUDTIMRCA-QKNQBKEWSA-N 1 3 370.541 2.381 20 0 FEADHO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)[nH]1 ZINC000602514328 567989663 /nfs/dbraw/zinc/98/96/63/567989663.db2.gz JJKORITVROWXBD-UHFFFAOYSA-N 1 3 370.497 2.229 20 0 FEADHO O=C(NC[C@H]1CCCN(CCSc2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000327117280 568099922 /nfs/dbraw/zinc/09/99/22/568099922.db2.gz IAJJRJPSRYCVJT-QAPCUYQASA-N 1 3 365.518 2.498 20 0 FEADHO O=C(NC[C@H]1CCCC[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000636873884 568141434 /nfs/dbraw/zinc/14/14/34/568141434.db2.gz PYOVFRKTBUOEMH-HXUWFJFHSA-N 1 3 358.530 2.479 20 0 FEADHO CCN(CC)[C@@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000563115918 568221429 /nfs/dbraw/zinc/22/14/29/568221429.db2.gz TVBITBCNERTWRK-XVAXZDLZSA-N 1 3 372.557 2.402 20 0 FEADHO CCN(CC)[C@@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000563115918 568221430 /nfs/dbraw/zinc/22/14/30/568221430.db2.gz TVBITBCNERTWRK-XVAXZDLZSA-N 1 3 372.557 2.402 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000623071581 568237984 /nfs/dbraw/zinc/23/79/84/568237984.db2.gz KIRXAQZLYZPKEE-YQVWRLOYSA-N 1 3 360.502 2.498 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000623072329 568245729 /nfs/dbraw/zinc/24/57/29/568245729.db2.gz YPDAOBYNRRZSLY-RTBURBONSA-N 1 3 360.502 2.498 20 0 FEADHO CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(CCCN3CCOCC3)CC2)C1 ZINC000808176354 674445609 /nfs/dbraw/zinc/44/56/09/674445609.db2.gz FRPBIGDYCSTJKC-FQEVSTJZSA-N 1 3 351.535 2.417 20 0 FEADHO C[NH+](C)CCOc1cnccc1CNC[C@H](O)Cc1cccc(Cl)c1 ZINC000570202295 670677768 /nfs/dbraw/zinc/67/77/68/670677768.db2.gz FRSYWTBVXOPMCD-GOSISDBHSA-N 1 3 363.889 2.369 20 0 FEADHO COc1ccccc1COC[C@@H](O)C[NH2+]C1CCN(CC(C)C)CC1 ZINC000565593908 675135046 /nfs/dbraw/zinc/13/50/46/675135046.db2.gz MCHPVNHFVQGJBL-IBGZPJMESA-N 1 3 350.503 2.283 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@](C)(CC)C3)CC2)CC1 ZINC000573861846 671174065 /nfs/dbraw/zinc/17/40/65/671174065.db2.gz SYVFCVGXSPLTDU-HXUWFJFHSA-N 1 3 351.535 2.210 20 0 FEADHO C[C@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)CN1CCN(C)CC1 ZINC000574199707 671213838 /nfs/dbraw/zinc/21/38/38/671213838.db2.gz AWMYEBGRAGOZKV-MJGOQNOKSA-N 1 3 352.567 2.064 20 0 FEADHO CCC[N@H+](CCN1CCCCCC1)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000574551073 671253594 /nfs/dbraw/zinc/25/35/94/671253594.db2.gz FWQBYHHFXYFOMM-ZCNNSNEGSA-N 1 3 355.567 2.045 20 0 FEADHO CCC[N@@H+](CCN1CCCCCC1)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000574551073 671253596 /nfs/dbraw/zinc/25/35/96/671253596.db2.gz FWQBYHHFXYFOMM-ZCNNSNEGSA-N 1 3 355.567 2.045 20 0 FEADHO O[C@H](CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)Cc1cccc(Cl)c1 ZINC000574684193 671267765 /nfs/dbraw/zinc/26/77/65/671267765.db2.gz HQCHTKRKJSYDOD-GBESFXJTSA-N 1 3 352.906 2.211 20 0 FEADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817950125 675187779 /nfs/dbraw/zinc/18/77/79/675187779.db2.gz WKTACYHXYGKWES-OAHLLOKOSA-N 1 3 361.511 2.303 20 0 FEADHO CCCN(CC[NH+]1CCCC1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000576851623 671399449 /nfs/dbraw/zinc/39/94/49/671399449.db2.gz CPGYGSVWVWTTFH-UHFFFAOYSA-N 1 3 351.535 2.356 20 0 FEADHO O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000576873106 671400757 /nfs/dbraw/zinc/40/07/57/671400757.db2.gz PTLYCVZBLAOCRK-HOCLYGCPSA-N 1 3 355.404 2.151 20 0 FEADHO [NH3+]CCCN(CC1CCCC1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000578016364 671635066 /nfs/dbraw/zinc/63/50/66/671635066.db2.gz WUHYAHRWTKZLQE-UHFFFAOYSA-N 1 3 351.535 2.389 20 0 FEADHO CS(=O)(=O)Nc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000583988696 672144991 /nfs/dbraw/zinc/14/49/91/672144991.db2.gz SQNOWSXQOYKVNI-OKZBNKHCSA-N 1 3 351.516 2.459 20 0 FEADHO C[C@H](NCCC1(C[NH3+])CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000650747077 677388289 /nfs/dbraw/zinc/38/82/89/677388289.db2.gz RBKQSNYJAHBJPB-VIFPVBQESA-N 1 3 366.314 2.420 20 0 FEADHO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000715557525 673073696 /nfs/dbraw/zinc/07/36/96/673073696.db2.gz JNPLUQBHVZPNMS-YVSFHVDLSA-N 1 3 355.523 2.473 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000715557525 673073699 /nfs/dbraw/zinc/07/36/99/673073699.db2.gz JNPLUQBHVZPNMS-YVSFHVDLSA-N 1 3 355.523 2.473 20 0 FEADHO C[C@H]1CN(Cc2cc(-n3ccnc3)cs2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000542465882 673584103 /nfs/dbraw/zinc/58/41/03/673584103.db2.gz NBLTYEXRBDGJJJ-LPHOPBHVSA-N 1 3 359.543 2.392 20 0 FEADHO CC(C)CCN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1CCCC1 ZINC000746065548 673862535 /nfs/dbraw/zinc/86/25/35/673862535.db2.gz ZCYUNJPREFFKGC-UHFFFAOYSA-N 1 3 350.507 2.251 20 0 FEADHO CC(C)[NH+]1CCN(CCCN2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000548844544 674000544 /nfs/dbraw/zinc/00/05/44/674000544.db2.gz FCWBLXNASHWLNE-INIZCTEOSA-N 1 3 351.457 2.446 20 0 FEADHO CN(C)C1CC[NH+](C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000818169325 675201316 /nfs/dbraw/zinc/20/13/16/675201316.db2.gz XVUYEIYMSAHBTG-QGZVFWFLSA-N 1 3 355.523 2.020 20 0 FEADHO C[NH+](C)CCOc1cc(CNC[C@H](O)c2c(F)cccc2F)ccn1 ZINC000819195387 675268597 /nfs/dbraw/zinc/26/85/97/675268597.db2.gz BQKBUVQARKNJRX-INIZCTEOSA-N 1 3 351.397 2.123 20 0 FEADHO CN1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000621010783 676437630 /nfs/dbraw/zinc/43/76/30/676437630.db2.gz DLMGKFYYLOCJLS-MRXNPFEDSA-N 1 3 354.445 2.132 20 0 FEADHO [NH3+]CC1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000629508782 676857811 /nfs/dbraw/zinc/85/78/11/676857811.db2.gz BTNHUXOHLKSEIW-HNNXBMFYSA-N 1 3 352.276 2.373 20 0 FEADHO COc1cc(Br)ccc1CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000629576334 676860474 /nfs/dbraw/zinc/86/04/74/676860474.db2.gz XWAWULHNMFQHAQ-INIZCTEOSA-N 1 3 371.319 2.437 20 0 FEADHO O[C@@H](C[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1)CN1CCCC1 ZINC000629578434 676860701 /nfs/dbraw/zinc/86/07/01/676860701.db2.gz YHMKAVAXWBUDQW-CABCVRRESA-N 1 3 357.420 2.330 20 0 FEADHO O=C(CC[NH2+]C[C@@H](O)CN1CCCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000629580489 676860709 /nfs/dbraw/zinc/86/07/09/676860709.db2.gz SBBUJMYXRDEVAW-OAHLLOKOSA-N 1 3 360.285 2.368 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](n2cncn2)C(F)(F)F)[C@@H](C)C1 ZINC000631688800 676951888 /nfs/dbraw/zinc/95/18/88/676951888.db2.gz WIBWBQRNVWFSQI-KKUMJFAQSA-N 1 3 363.428 2.108 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641051562 677193872 /nfs/dbraw/zinc/19/38/72/677193872.db2.gz JQKQAYZCNKUIAJ-HNNXBMFYSA-N 1 3 354.445 2.180 20 0 FEADHO C[NH+]1CCC(CNC(=S)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000760475302 680689019 /nfs/dbraw/zinc/68/90/19/680689019.db2.gz NBFMIKFSEFIOSD-LJQANCHMSA-N 1 3 360.571 2.457 20 0 FEADHO COc1cc(NC(=O)CC[NH2+][C@@H]2C[C@@H](N)C2(C)C)c(OC)cc1Cl ZINC000641801155 677216046 /nfs/dbraw/zinc/21/60/46/677216046.db2.gz AQEBNSXKYMMUHH-HUUCEWRRSA-N 1 3 355.866 2.401 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000643470362 677226922 /nfs/dbraw/zinc/22/69/22/677226922.db2.gz IVMAZNNBVDGWLS-DZGCQCFKSA-N 1 3 359.392 2.154 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647171182 677296783 /nfs/dbraw/zinc/29/67/83/677296783.db2.gz BXRVPXIJULWFCV-CQSZACIVSA-N 1 3 357.495 2.075 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647171182 677296784 /nfs/dbraw/zinc/29/67/84/677296784.db2.gz BXRVPXIJULWFCV-CQSZACIVSA-N 1 3 357.495 2.075 20 0 FEADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000648571196 677317657 /nfs/dbraw/zinc/31/76/57/677317657.db2.gz WZLYOEDQVVXVNE-UHFFFAOYSA-N 1 3 359.580 2.335 20 0 FEADHO Cn1c2ccc(CN3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)cc2sc1=O ZINC000650725388 677387407 /nfs/dbraw/zinc/38/74/07/677387407.db2.gz ZOJGMACGKCTRDG-UXLLHSPISA-N 1 3 361.511 2.461 20 0 FEADHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652154102 677473282 /nfs/dbraw/zinc/47/32/82/677473282.db2.gz WHUCCOMHNFQPNH-OAHLLOKOSA-N 1 3 352.475 2.210 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345839 677480524 /nfs/dbraw/zinc/48/05/24/677480524.db2.gz NKQCWTXLRXNKNG-ATNRFADISA-N 1 3 351.535 2.288 20 0 FEADHO CC[C@@H](C)C[C@@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000655160322 677626260 /nfs/dbraw/zinc/62/62/60/677626260.db2.gz OVKLWKWMWLERHO-AEFFLSMTSA-N 1 3 353.551 2.096 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655462487 677642103 /nfs/dbraw/zinc/64/21/03/677642103.db2.gz PVBWDLOFFCGHAN-KXBFYZLASA-N 1 3 351.441 2.245 20 0 FEADHO CC(C)(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)N1CCc2ccccc2C1 ZINC000655915379 677672543 /nfs/dbraw/zinc/67/25/43/677672543.db2.gz URBFLVMYVJAZJH-CQSZACIVSA-N 1 3 358.408 2.012 20 0 FEADHO c1nc(N2CCOCC2)sc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786742 677830343 /nfs/dbraw/zinc/83/03/43/677830343.db2.gz XCSCSJQCSUCJHB-INIZCTEOSA-N 1 3 350.532 2.191 20 0 FEADHO C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000658107297 678058544 /nfs/dbraw/zinc/05/85/44/678058544.db2.gz GQCSXOJPOFVNAQ-GJZGRUSLSA-N 1 3 373.538 2.152 20 0 FEADHO CC(C)[C@H]([NH3+])CCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000659623545 678193408 /nfs/dbraw/zinc/19/34/08/678193408.db2.gz FERAUCSLMVJLBI-QGZVFWFLSA-N 1 3 356.461 2.411 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000660152228 678296859 /nfs/dbraw/zinc/29/68/59/678296859.db2.gz UEZKOMQVIIBWSJ-UHFFFAOYSA-N 1 3 365.543 2.149 20 0 FEADHO [NH3+][C@H]1C[C@H](C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000662738541 678656630 /nfs/dbraw/zinc/65/66/30/678656630.db2.gz IVLZZNFQLDXXSE-CTYIDZIISA-N 1 3 351.878 2.037 20 0 FEADHO CCN(C(=O)NCC1(N2CCSCC2)CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000663698626 678775493 /nfs/dbraw/zinc/77/54/93/678775493.db2.gz BAYONOOETHWTIP-MRXNPFEDSA-N 1 3 354.564 2.084 20 0 FEADHO CCN(C(=O)NCC1(N2CCSCC2)CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000663698626 678775495 /nfs/dbraw/zinc/77/54/95/678775495.db2.gz BAYONOOETHWTIP-MRXNPFEDSA-N 1 3 354.564 2.084 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000664023949 678822184 /nfs/dbraw/zinc/82/21/84/678822184.db2.gz ZHNJCTLJDJNNIT-KBXCAEBGSA-N 1 3 350.482 2.384 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000664023949 678822188 /nfs/dbraw/zinc/82/21/88/678822188.db2.gz ZHNJCTLJDJNNIT-KBXCAEBGSA-N 1 3 350.482 2.384 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1ccc(F)cc1F ZINC000664092384 678830727 /nfs/dbraw/zinc/83/07/27/678830727.db2.gz WKVAKNVRTOVNTG-AWEZNQCLSA-N 1 3 356.461 2.079 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1ccc(F)cc1F ZINC000664092384 678830731 /nfs/dbraw/zinc/83/07/31/678830731.db2.gz WKVAKNVRTOVNTG-AWEZNQCLSA-N 1 3 356.461 2.079 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCC1C[C@H](C)O[C@@H](C)C1 ZINC000664847069 678927103 /nfs/dbraw/zinc/92/71/03/678927103.db2.gz VCUUSFZYWCDVSJ-ULQDDVLXSA-N 1 3 356.555 2.151 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCC1C[C@H](C)O[C@@H](C)C1 ZINC000664847069 678927107 /nfs/dbraw/zinc/92/71/07/678927107.db2.gz VCUUSFZYWCDVSJ-ULQDDVLXSA-N 1 3 356.555 2.151 20 0 FEADHO CC(C)[C@@H]1C[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000665026553 678938368 /nfs/dbraw/zinc/93/83/68/678938368.db2.gz HWWDPWRAQNNOIQ-BZSNNMDCSA-N 1 3 356.555 2.009 20 0 FEADHO CC(C)[C@@H]1C[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000665026553 678938370 /nfs/dbraw/zinc/93/83/70/678938370.db2.gz HWWDPWRAQNNOIQ-BZSNNMDCSA-N 1 3 356.555 2.009 20 0 FEADHO CC(C)Cc1nnc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000665185638 678944869 /nfs/dbraw/zinc/94/48/69/678944869.db2.gz JCVCEFZLPUSZGX-ZDUSSCGKSA-N 1 3 356.540 2.130 20 0 FEADHO CC(C)Cc1nnc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000665185638 678944870 /nfs/dbraw/zinc/94/48/70/678944870.db2.gz JCVCEFZLPUSZGX-ZDUSSCGKSA-N 1 3 356.540 2.130 20 0 FEADHO CCO[C@H]1C[C@@H](N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000665759687 678981856 /nfs/dbraw/zinc/98/18/56/678981856.db2.gz MNWHLLQSJKRGCS-BBWFWOEESA-N 1 3 356.555 2.103 20 0 FEADHO CCO[C@H]1C[C@@H](N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000665759687 678981858 /nfs/dbraw/zinc/98/18/58/678981858.db2.gz MNWHLLQSJKRGCS-BBWFWOEESA-N 1 3 356.555 2.103 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000665759749 678981895 /nfs/dbraw/zinc/98/18/95/678981895.db2.gz OENSJEJMORKDKO-RDJZCZTQSA-N 1 3 368.547 2.103 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000665759749 678981896 /nfs/dbraw/zinc/98/18/96/678981896.db2.gz OENSJEJMORKDKO-RDJZCZTQSA-N 1 3 368.547 2.103 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=S)NCC1CC[NH+](C)CC1 ZINC000840848452 680846728 /nfs/dbraw/zinc/84/67/28/680846728.db2.gz VBPLQFWCVOJIGD-UHFFFAOYSA-N 1 3 354.589 2.328 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCN2CCOC2CCC2)CC[N@@H+]1C ZINC001024448153 680290863 /nfs/dbraw/zinc/29/08/63/680290863.db2.gz DMUBZCUIMMWEHB-YTQUADARSA-N 1 3 351.535 2.257 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCN2CCOC2CCC2)CC[N@H+]1C ZINC001024448153 680290868 /nfs/dbraw/zinc/29/08/68/680290868.db2.gz DMUBZCUIMMWEHB-YTQUADARSA-N 1 3 351.535 2.257 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNCc3ncc(C)s3)C2)CC[N@@H+]1C ZINC001026855753 680351659 /nfs/dbraw/zinc/35/16/59/680351659.db2.gz MZLPTNOBTLZQRJ-OWCLPIDISA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNCc3ncc(C)s3)C2)CC[N@H+]1C ZINC001026855753 680351660 /nfs/dbraw/zinc/35/16/60/680351660.db2.gz MZLPTNOBTLZQRJ-OWCLPIDISA-N 1 3 350.532 2.120 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)Cc3ccnc(Cl)c3)C2)CC[N@@H+]1C ZINC001029741474 680391524 /nfs/dbraw/zinc/39/15/24/680391524.db2.gz UTTSTLBNJQYXFI-HYVNUMGLSA-N 1 3 364.921 2.356 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)Cc3ccnc(Cl)c3)C2)CC[N@H+]1C ZINC001029741474 680391525 /nfs/dbraw/zinc/39/15/25/680391525.db2.gz UTTSTLBNJQYXFI-HYVNUMGLSA-N 1 3 364.921 2.356 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(CCc3ccns3)C2)CC[N@@H+]1C ZINC001034218011 680431655 /nfs/dbraw/zinc/43/16/55/680431655.db2.gz XPTCYQIUSAMYAH-RYQLBKOJSA-N 1 3 364.559 2.387 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(CCc3ccns3)C2)CC[N@H+]1C ZINC001034218011 680431659 /nfs/dbraw/zinc/43/16/59/680431659.db2.gz XPTCYQIUSAMYAH-RYQLBKOJSA-N 1 3 364.559 2.387 20 0 FEADHO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000846675695 681274639 /nfs/dbraw/zinc/27/46/39/681274639.db2.gz NGRXWOMFJMMHFL-KBPBESRZSA-N 1 3 360.380 2.494 20 0 FEADHO CC[N@H+](C)C[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000846833587 681296233 /nfs/dbraw/zinc/29/62/33/681296233.db2.gz OHWMSYZZYHOOLQ-WFVVYAPDSA-N 1 3 355.523 2.161 20 0 FEADHO CC[N@@H+](C)C[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000846833587 681296235 /nfs/dbraw/zinc/29/62/35/681296235.db2.gz OHWMSYZZYHOOLQ-WFVVYAPDSA-N 1 3 355.523 2.161 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000849077779 681650513 /nfs/dbraw/zinc/65/05/13/681650513.db2.gz MVBSCGGERFADQQ-LSDHHAIUSA-N 1 3 358.408 2.337 20 0 FEADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(CC)(N3CCOCC3)CC2)C1 ZINC000913330647 685475549 /nfs/dbraw/zinc/47/55/49/685475549.db2.gz HIHISHBGAAWGGI-GOSISDBHSA-N 1 3 351.535 2.212 20 0 FEADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(CC)(N3CCOCC3)CC2)C1 ZINC000913330647 685475550 /nfs/dbraw/zinc/47/55/50/685475550.db2.gz HIHISHBGAAWGGI-GOSISDBHSA-N 1 3 351.535 2.212 20 0 FEADHO C[C@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000914350654 685505046 /nfs/dbraw/zinc/50/50/46/685505046.db2.gz VJIOEFHXCLHLDK-LNLFQRSKSA-N 1 3 369.575 2.045 20 0 FEADHO C[C@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000914350654 685505047 /nfs/dbraw/zinc/50/50/47/685505047.db2.gz VJIOEFHXCLHLDK-LNLFQRSKSA-N 1 3 369.575 2.045 20 0 FEADHO C[NH+](C)CCCOC(=O)C1CCN(c2ccccc2Br)C1=O ZINC000916092642 685521160 /nfs/dbraw/zinc/52/11/60/685521160.db2.gz WZXDZXSVBQRKCM-LBPRGKRZSA-N 1 3 369.259 2.297 20 0 FEADHO COc1cccc([C@@H](CNC(=S)NCCC[NH+](C)C)N2CCCC2)c1 ZINC000916546111 685525331 /nfs/dbraw/zinc/52/53/31/685525331.db2.gz KFESUIMQTWFPBM-GOSISDBHSA-N 1 3 364.559 2.248 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=S)NCC2CC[NH+](C)CC2)cc1 ZINC000789392494 682600429 /nfs/dbraw/zinc/60/04/29/682600429.db2.gz FXQJBSYSMZMOLU-GOSISDBHSA-N 1 3 364.559 2.104 20 0 FEADHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)nc1 ZINC000925852603 683043775 /nfs/dbraw/zinc/04/37/75/683043775.db2.gz WJQGYPRDHLGANF-YPMHNXCESA-N 1 3 368.275 2.180 20 0 FEADHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)nc1 ZINC000925852578 683043838 /nfs/dbraw/zinc/04/38/38/683043838.db2.gz WJQGYPRDHLGANF-WCQYABFASA-N 1 3 368.275 2.180 20 0 FEADHO CN1CCN(CC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C ZINC000799346511 683447867 /nfs/dbraw/zinc/44/78/67/683447867.db2.gz MOCMAOGZUXHSNM-UHFFFAOYSA-N 1 3 354.539 2.002 20 0 FEADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cncc(Br)c1)C2 ZINC000922387945 683712770 /nfs/dbraw/zinc/71/27/70/683712770.db2.gz NKURJHHCDCKPBI-VQHPVUNQSA-N 1 3 368.319 2.413 20 0 FEADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cncc(Br)c1)C2 ZINC000922387945 683712772 /nfs/dbraw/zinc/71/27/72/683712772.db2.gz NKURJHHCDCKPBI-VQHPVUNQSA-N 1 3 368.319 2.413 20 0 FEADHO CCN1CCN(CCC[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000865413102 683980267 /nfs/dbraw/zinc/98/02/67/683980267.db2.gz YBKVFOAGQXFQIO-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452900 684283304 /nfs/dbraw/zinc/28/33/04/684283304.db2.gz JKWWRRFLGZZTIB-ZBFHGGJFSA-N 1 3 365.905 2.175 20 0 FEADHO C[C@@H]1CN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923497467 684292422 /nfs/dbraw/zinc/29/24/22/684292422.db2.gz LVVOIFAGFKCNBS-VXGBXAGGSA-N 1 3 361.383 2.377 20 0 FEADHO C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000925209647 684539974 /nfs/dbraw/zinc/53/99/74/684539974.db2.gz XZXOEGIOTOUHIN-MRXNPFEDSA-N 1 3 371.591 2.433 20 0 FEADHO O=C1COc2ccccc2N1CCC[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873212724 685097455 /nfs/dbraw/zinc/09/74/55/685097455.db2.gz QYCXQWRWXLHTEN-UHFFFAOYSA-N 1 3 357.479 2.299 20 0 FEADHO C[C@H](CC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2)N(C)C ZINC000895428126 689714572 /nfs/dbraw/zinc/71/45/72/689714572.db2.gz GDAXZISGBNBKKP-BZUAXINKSA-N 1 3 355.523 2.379 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H](C)C2(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000903064568 690840802 /nfs/dbraw/zinc/84/08/02/690840802.db2.gz CQCUENOSZKLUJQ-INIZCTEOSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H]1CN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)C[C@H]1CC[NH3+] ZINC000903497258 690901526 /nfs/dbraw/zinc/90/15/26/690901526.db2.gz ROOLSGXYBBFFAY-DGCLKSJQSA-N 1 3 361.383 2.377 20 0 FEADHO Cc1cccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1Br ZINC000903713548 690965805 /nfs/dbraw/zinc/96/58/05/690965805.db2.gz VLIGLZVFCJQZQE-AWEZNQCLSA-N 1 3 354.292 2.044 20 0 FEADHO CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905335383 691103174 /nfs/dbraw/zinc/10/31/74/691103174.db2.gz NMCLCEGWNAOMQJ-UHFFFAOYSA-N 1 3 367.559 2.160 20 0 FEADHO [NH3+]Cc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncn1 ZINC001164904274 721696935 /nfs/dbraw/zinc/69/69/35/721696935.db2.gz FCSLIKYXQQKAJY-GOSISDBHSA-N 1 3 374.439 2.068 20 0 FEADHO Cc1c[nH+]c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1N ZINC001164976097 722136951 /nfs/dbraw/zinc/13/69/51/722136951.db2.gz HDFZUXKUOFLFKH-HKUYNNGSSA-N 1 3 353.470 2.095 20 0 FEADHO CCc1ccccc1OCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050803030 540415340 /nfs/dbraw/zinc/41/53/40/540415340.db2.gz VFKHRUMEHZAHHI-UHFFFAOYSA-N 1 3 359.514 2.303 20 0 FEADHO CO[C@@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051758862 540443028 /nfs/dbraw/zinc/44/30/28/540443028.db2.gz OJIYAKVLBMADOE-FQEVSTJZSA-N 1 3 374.529 2.232 20 0 FEADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1Cc2ccccc2C1 ZINC000051761750 540443407 /nfs/dbraw/zinc/44/34/07/540443407.db2.gz UOTLDFRGCSFEBM-UHFFFAOYSA-N 1 3 370.541 2.354 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000054511228 540593888 /nfs/dbraw/zinc/59/38/88/540593888.db2.gz SUULDKOEGDYANE-SFHVURJKSA-N 1 3 362.518 2.158 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000054511228 540593889 /nfs/dbraw/zinc/59/38/89/540593889.db2.gz SUULDKOEGDYANE-SFHVURJKSA-N 1 3 362.518 2.158 20 0 FEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000054805200 540611362 /nfs/dbraw/zinc/61/13/62/540611362.db2.gz XGFWWOCTWZHFOE-QGZVFWFLSA-N 1 3 359.518 2.424 20 0 FEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000054805200 540611364 /nfs/dbraw/zinc/61/13/64/540611364.db2.gz XGFWWOCTWZHFOE-QGZVFWFLSA-N 1 3 359.518 2.424 20 0 FEADHO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC(CC[NH+](C)C)CC1 ZINC000056522799 540731568 /nfs/dbraw/zinc/73/15/68/540731568.db2.gz RZTXJSOWCXXPNE-IBGZPJMESA-N 1 3 372.557 2.387 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N[C@H](C)CC[NH+](C)C)N2CCCC2)cc1 ZINC000062507473 541150407 /nfs/dbraw/zinc/15/04/07/541150407.db2.gz LYCXQZYBMRMAIZ-VQIMIIECSA-N 1 3 362.518 2.472 20 0 FEADHO CC1CCN(CCNC(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000066178438 541286851 /nfs/dbraw/zinc/28/68/51/541286851.db2.gz IEIQJTDJCKHMIQ-UHFFFAOYSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H](CC[NH+](C)C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000068592751 541612679 /nfs/dbraw/zinc/61/26/79/541612679.db2.gz YVMRZSHUDMUWMA-AWEZNQCLSA-N 1 3 356.461 2.378 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)CC2)c1 ZINC000073103805 541919062 /nfs/dbraw/zinc/91/90/62/541919062.db2.gz RSWNDMCVHXSFQW-FQEVSTJZSA-N 1 3 372.557 2.354 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H]3CC[N@H+](C(C)C)C3)CC2)c1 ZINC000073103805 541919063 /nfs/dbraw/zinc/91/90/63/541919063.db2.gz RSWNDMCVHXSFQW-FQEVSTJZSA-N 1 3 372.557 2.354 20 0 FEADHO C[NH+](C)CCC1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000073643169 541980049 /nfs/dbraw/zinc/98/00/49/541980049.db2.gz COHXJJDKSDYKGN-UHFFFAOYSA-N 1 3 351.535 2.212 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000074862531 542130058 /nfs/dbraw/zinc/13/00/58/542130058.db2.gz XQVIKWPFNNWSTR-FQEVSTJZSA-N 1 3 373.545 2.419 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000074862531 542130059 /nfs/dbraw/zinc/13/00/59/542130059.db2.gz XQVIKWPFNNWSTR-FQEVSTJZSA-N 1 3 373.545 2.419 20 0 FEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000077644603 542404602 /nfs/dbraw/zinc/40/46/02/542404602.db2.gz GELMGIXKAKSYLP-IBGZPJMESA-N 1 3 366.550 2.005 20 0 FEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000077644603 542404603 /nfs/dbraw/zinc/40/46/03/542404603.db2.gz GELMGIXKAKSYLP-IBGZPJMESA-N 1 3 366.550 2.005 20 0 FEADHO CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090391817 542784284 /nfs/dbraw/zinc/78/42/84/542784284.db2.gz BUOCMSHFQCTZKV-MAUKXSAKSA-N 1 3 357.564 2.091 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)CC1 ZINC000093762733 542940419 /nfs/dbraw/zinc/94/04/19/542940419.db2.gz AGRJYNUXDQAJTR-IEBWSBKVSA-N 1 3 359.514 2.460 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)CC1 ZINC000093762733 542940421 /nfs/dbraw/zinc/94/04/21/542940421.db2.gz AGRJYNUXDQAJTR-IEBWSBKVSA-N 1 3 359.514 2.460 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NCC[N@H+](C)C(C)C)N2CCCC2)cc1 ZINC000101974345 543052794 /nfs/dbraw/zinc/05/27/94/543052794.db2.gz KNKGDCSSUDWJTR-LJQANCHMSA-N 1 3 362.518 2.472 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NCC[N@@H+](C)C(C)C)N2CCCC2)cc1 ZINC000101974345 543052796 /nfs/dbraw/zinc/05/27/96/543052796.db2.gz KNKGDCSSUDWJTR-LJQANCHMSA-N 1 3 362.518 2.472 20 0 FEADHO CN(C)[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000105244784 543166977 /nfs/dbraw/zinc/16/69/77/543166977.db2.gz OXGQPJXXAVSWEJ-VQTJNVASSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C)[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000105244784 543166979 /nfs/dbraw/zinc/16/69/79/543166979.db2.gz OXGQPJXXAVSWEJ-VQTJNVASSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)Cc1ccccc1 ZINC000106518467 543232521 /nfs/dbraw/zinc/23/25/21/543232521.db2.gz JEQOFEZKGFUYSR-UYAOXDASSA-N 1 3 358.530 2.475 20 0 FEADHO CN(C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)Cc1ccccc1 ZINC000106518467 543232523 /nfs/dbraw/zinc/23/25/23/543232523.db2.gz JEQOFEZKGFUYSR-UYAOXDASSA-N 1 3 358.530 2.475 20 0 FEADHO CCN(CC)[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000109151396 543316388 /nfs/dbraw/zinc/31/63/88/543316388.db2.gz UQOBQKMGVMLTQJ-UYAOXDASSA-N 1 3 360.546 2.069 20 0 FEADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(C(=O)OC)cc2)CC1 ZINC000109786580 543339507 /nfs/dbraw/zinc/33/95/07/543339507.db2.gz BACGBTDNHCIEQS-SFHVURJKSA-N 1 3 364.486 2.019 20 0 FEADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(C(=O)OC)cc2)CC1 ZINC000109786580 543339509 /nfs/dbraw/zinc/33/95/09/543339509.db2.gz BACGBTDNHCIEQS-SFHVURJKSA-N 1 3 364.486 2.019 20 0 FEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCN1CCOC ZINC000111862792 543421152 /nfs/dbraw/zinc/42/11/52/543421152.db2.gz BXRARUXYDLOQNJ-ROUUACIJSA-N 1 3 354.539 2.051 20 0 FEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCN1CCOC ZINC000111862792 543421154 /nfs/dbraw/zinc/42/11/54/543421154.db2.gz BXRARUXYDLOQNJ-ROUUACIJSA-N 1 3 354.539 2.051 20 0 FEADHO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000552100266 674187574 /nfs/dbraw/zinc/18/75/74/674187574.db2.gz DKQOWSUXXOWIBM-IJEWVQPXSA-N 1 3 373.950 2.245 20 0 FEADHO C[NH+](C)CCCC1CCN(CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000123443781 543762280 /nfs/dbraw/zinc/76/22/80/543762280.db2.gz VHZTZQIKVYVZLO-UHFFFAOYSA-N 1 3 366.531 2.229 20 0 FEADHO Cc1cc(NCCCC[NH+]2CCN(CCO)CC2)c2cc(F)ccc2n1 ZINC000126122823 543918679 /nfs/dbraw/zinc/91/86/79/543918679.db2.gz QOGZFKBMDRCGKD-UHFFFAOYSA-N 1 3 360.477 2.484 20 0 FEADHO COCCCN(C)CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000128526253 544057839 /nfs/dbraw/zinc/05/78/39/544057839.db2.gz ONTNEFHYGPSPPE-UHFFFAOYSA-N 1 3 368.566 2.297 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000131015082 544173943 /nfs/dbraw/zinc/17/39/43/544173943.db2.gz WAIALEPTDRUGMC-MOPGFXCFSA-N 1 3 368.566 2.107 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000131015082 544173944 /nfs/dbraw/zinc/17/39/44/544173944.db2.gz WAIALEPTDRUGMC-MOPGFXCFSA-N 1 3 368.566 2.107 20 0 FEADHO C[NH+](C)CCOc1cc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccn1 ZINC000136216252 544369338 /nfs/dbraw/zinc/36/93/38/544369338.db2.gz IKFGOMKLHRKJKB-INIZCTEOSA-N 1 3 364.490 2.121 20 0 FEADHO CCN1CCN(CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000153368959 544766324 /nfs/dbraw/zinc/76/63/24/544766324.db2.gz QRWPINALPJQBMR-UHFFFAOYSA-N 1 3 372.557 2.042 20 0 FEADHO CCCNC(=O)CN1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000153434778 544774821 /nfs/dbraw/zinc/77/48/21/544774821.db2.gz PRIXQIQSUXEBJS-UHFFFAOYSA-N 1 3 364.578 2.364 20 0 FEADHO CCCNC(=O)CN1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000153434778 544774823 /nfs/dbraw/zinc/77/48/23/544774823.db2.gz PRIXQIQSUXEBJS-UHFFFAOYSA-N 1 3 364.578 2.364 20 0 FEADHO CN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000153753770 544818051 /nfs/dbraw/zinc/81/80/51/544818051.db2.gz HPYREEVRSLOLOY-FQEVSTJZSA-N 1 3 358.530 2.141 20 0 FEADHO CN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000153753770 544818055 /nfs/dbraw/zinc/81/80/55/544818055.db2.gz HPYREEVRSLOLOY-FQEVSTJZSA-N 1 3 358.530 2.141 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000154838765 544955775 /nfs/dbraw/zinc/95/57/75/544955775.db2.gz WBPZIZJTKVPQNF-JOCHJYFZSA-N 1 3 372.557 2.185 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000154838765 544955781 /nfs/dbraw/zinc/95/57/81/544955781.db2.gz WBPZIZJTKVPQNF-JOCHJYFZSA-N 1 3 372.557 2.185 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H](C[NH+](C)C)C3)c2)CC1 ZINC000187787826 328045911 /nfs/dbraw/zinc/04/59/11/328045911.db2.gz VRERXYQAGBSVNU-KRWDZBQOSA-N 1 3 359.518 2.244 20 0 FEADHO CCO[C@H]1C[C@](N)(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1(C)C ZINC000188041127 328062140 /nfs/dbraw/zinc/06/21/40/328062140.db2.gz OOEZFVXJQAKQNJ-RXVVDRJESA-N 1 3 359.514 2.431 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000188246122 328075622 /nfs/dbraw/zinc/07/56/22/328075622.db2.gz QJRBIPGJPOZVPD-YLJYHZDGSA-N 1 3 351.535 2.432 20 0 FEADHO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191466341 328267104 /nfs/dbraw/zinc/26/71/04/328267104.db2.gz ITSOZGNSDLXREQ-VQTJNVASSA-N 1 3 366.594 2.419 20 0 FEADHO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191466341 328267105 /nfs/dbraw/zinc/26/71/05/328267105.db2.gz ITSOZGNSDLXREQ-VQTJNVASSA-N 1 3 366.594 2.419 20 0 FEADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000192119087 328300712 /nfs/dbraw/zinc/30/07/12/328300712.db2.gz RUJAMEXLEFWNON-ZIAGYGMSSA-N 1 3 353.894 2.283 20 0 FEADHO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192849974 328343329 /nfs/dbraw/zinc/34/33/29/328343329.db2.gz ILDMMANYWGETQB-HXUWFJFHSA-N 1 3 353.551 2.314 20 0 FEADHO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192849974 328343331 /nfs/dbraw/zinc/34/33/31/328343331.db2.gz ILDMMANYWGETQB-HXUWFJFHSA-N 1 3 353.551 2.314 20 0 FEADHO CC(C)OC(=O)C[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192799297 328340295 /nfs/dbraw/zinc/34/02/95/328340295.db2.gz FJQVTMPSALUPDP-LJQANCHMSA-N 1 3 353.551 2.456 20 0 FEADHO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192799297 328340296 /nfs/dbraw/zinc/34/02/96/328340296.db2.gz FJQVTMPSALUPDP-LJQANCHMSA-N 1 3 353.551 2.456 20 0 FEADHO COCCN1CCC(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000195138959 328458029 /nfs/dbraw/zinc/45/80/29/328458029.db2.gz WVLLFVFEYZQGPA-UHFFFAOYSA-N 1 3 374.529 2.192 20 0 FEADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000237335158 328512970 /nfs/dbraw/zinc/51/29/70/328512970.db2.gz CKGBDDPOEOHKGD-MOPGFXCFSA-N 1 3 358.530 2.175 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000078946486 325068184 /nfs/dbraw/zinc/06/81/84/325068184.db2.gz YPDMEPZRXMLMID-UHFFFAOYSA-N 1 3 362.518 2.302 20 0 FEADHO C[NH+](C)[C@@H](CNC(=O)N1CCN(C2CCCC2)CC1)Cc1ccccc1 ZINC000079221042 325082936 /nfs/dbraw/zinc/08/29/36/325082936.db2.gz PVCVZVAFLVUWIM-HXUWFJFHSA-N 1 3 358.530 2.429 20 0 FEADHO CC[NH+]1CCC(CCNC(=O)N(CCN(C)C)Cc2ccccn2)CC1 ZINC000080461358 325131398 /nfs/dbraw/zinc/13/13/98/325131398.db2.gz TZODURWTKXOXIV-UHFFFAOYSA-N 1 3 361.534 2.277 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000081444533 325176022 /nfs/dbraw/zinc/17/60/22/325176022.db2.gz XZKXIIHSPOVVPX-FXAWDEMLSA-N 1 3 358.530 2.241 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000081444533 325176025 /nfs/dbraw/zinc/17/60/25/325176025.db2.gz XZKXIIHSPOVVPX-FXAWDEMLSA-N 1 3 358.530 2.241 20 0 FEADHO [NH3+]C[C@H](NC(=O)CCN1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000237858422 328531928 /nfs/dbraw/zinc/53/19/28/328531928.db2.gz LSYHLXOZRACGGT-FQEVSTJZSA-N 1 3 358.530 2.223 20 0 FEADHO CCN1CCN([C@@H](C)CNC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000112917614 325812826 /nfs/dbraw/zinc/81/28/26/325812826.db2.gz CVUVFCZIRSEMFO-SFHVURJKSA-N 1 3 358.530 2.038 20 0 FEADHO C[NH+](C)C1(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCOCC1 ZINC000114020112 325869411 /nfs/dbraw/zinc/86/94/11/325869411.db2.gz WCQKRDIPEIEDEZ-IBGZPJMESA-N 1 3 374.529 2.234 20 0 FEADHO CCN(C)CCNC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000118107846 326082368 /nfs/dbraw/zinc/08/23/68/326082368.db2.gz NDMQVHLCWONIDG-UHFFFAOYSA-N 1 3 374.529 2.458 20 0 FEADHO CCN(C)CCNC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000118107846 326082371 /nfs/dbraw/zinc/08/23/71/326082371.db2.gz NDMQVHLCWONIDG-UHFFFAOYSA-N 1 3 374.529 2.458 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000120263539 326245089 /nfs/dbraw/zinc/24/50/89/326245089.db2.gz PJVWGAPNLQFNFH-PZJWPPBQSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000120263539 326245091 /nfs/dbraw/zinc/24/50/91/326245091.db2.gz PJVWGAPNLQFNFH-PZJWPPBQSA-N 1 3 372.557 2.041 20 0 FEADHO C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCCOC([O-])=NC(N)=O)CC1 ZINC000120954738 326302047 /nfs/dbraw/zinc/30/20/47/326302047.db2.gz IKZXTLGDSYPOPQ-UHFFFAOYSA-N 1 3 362.474 2.025 20 0 FEADHO C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCOC([O-])=NC(N)=O)CC1 ZINC000120954738 326302049 /nfs/dbraw/zinc/30/20/49/326302049.db2.gz IKZXTLGDSYPOPQ-UHFFFAOYSA-N 1 3 362.474 2.025 20 0 FEADHO C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCCOC(=O)N=C(N)[O-])CC1 ZINC000120954738 326302051 /nfs/dbraw/zinc/30/20/51/326302051.db2.gz IKZXTLGDSYPOPQ-UHFFFAOYSA-N 1 3 362.474 2.025 20 0 FEADHO C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCOC(=O)N=C(N)[O-])CC1 ZINC000120954738 326302053 /nfs/dbraw/zinc/30/20/53/326302053.db2.gz IKZXTLGDSYPOPQ-UHFFFAOYSA-N 1 3 362.474 2.025 20 0 FEADHO CN(C)S(=O)(=O)c1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123253601 326425205 /nfs/dbraw/zinc/42/52/05/326425205.db2.gz QJTYWQDIEJEBNA-UHFFFAOYSA-N 1 3 367.559 2.491 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000157034746 326852239 /nfs/dbraw/zinc/85/22/39/326852239.db2.gz KFXQPHKHOYWTQW-WOJBJXKFSA-N 1 3 361.530 2.069 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000163066202 327041997 /nfs/dbraw/zinc/04/19/97/327041997.db2.gz IANWFGZGUOXBTH-HKUYNNGSSA-N 1 3 359.514 2.090 20 0 FEADHO CCCN(C(=O)c1ccc(N2CCN(CC)CC2)cc1)C1CC[NH2+]CC1 ZINC000163309190 327048505 /nfs/dbraw/zinc/04/85/05/327048505.db2.gz NPYDHHPTLLETCI-UHFFFAOYSA-N 1 3 358.530 2.433 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000168920129 327087574 /nfs/dbraw/zinc/08/75/74/327087574.db2.gz XTMFTCZDAFJBIC-IBGZPJMESA-N 1 3 351.922 2.307 20 0 FEADHO C[C@@H](O)c1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000171057770 327114882 /nfs/dbraw/zinc/11/48/82/327114882.db2.gz BZHBCHBQYAXEEI-MRXNPFEDSA-N 1 3 374.529 2.098 20 0 FEADHO C[NH+](C)CCCOc1ccc(CNC(=O)N2CCCN(C3CC3)CC2)cc1 ZINC000171375517 327135769 /nfs/dbraw/zinc/13/57/69/327135769.db2.gz PUYUCQKLFIPJFA-UHFFFAOYSA-N 1 3 374.529 2.397 20 0 FEADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@@H]1CCCOC1 ZINC000171636913 327150320 /nfs/dbraw/zinc/15/03/20/327150320.db2.gz HJSKZJHEOMWOGX-FQEVSTJZSA-N 1 3 359.514 2.257 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174215367 327313589 /nfs/dbraw/zinc/31/35/89/327313589.db2.gz RJGHDAXVKGELJA-SFHVURJKSA-N 1 3 374.529 2.254 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000175589681 327401182 /nfs/dbraw/zinc/40/11/82/327401182.db2.gz MKQUMGFEJGYQLM-IBGZPJMESA-N 1 3 363.502 2.359 20 0 FEADHO C[C@H]1CN(CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)C[C@H](C)O1 ZINC000178034534 327560649 /nfs/dbraw/zinc/56/06/49/327560649.db2.gz LGQQRTCRLPQVCM-GJZGRUSLSA-N 1 3 351.457 2.492 20 0 FEADHO C[C@H]([NH3+])C1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000178815391 327608917 /nfs/dbraw/zinc/60/89/17/327608917.db2.gz VAOCTBLDVROTMI-SFHVURJKSA-N 1 3 358.530 2.175 20 0 FEADHO CC(C)[C@H](N)C(=O)NCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000261726857 328814902 /nfs/dbraw/zinc/81/49/02/328814902.db2.gz JWXSRSYWEVSQEU-SFHVURJKSA-N 1 3 371.485 2.322 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000262039594 328837331 /nfs/dbraw/zinc/83/73/31/328837331.db2.gz LBNHGDOAONHAAK-UHFFFAOYSA-N 1 3 359.495 2.348 20 0 FEADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000263053941 328911714 /nfs/dbraw/zinc/91/17/14/328911714.db2.gz UUVZSSRAUQENOS-FPOVZHCZSA-N 1 3 359.514 2.167 20 0 FEADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(CCOC)CCN(C)C)c1 ZINC000264249836 329004589 /nfs/dbraw/zinc/00/45/89/329004589.db2.gz JKZVOHDROHXCAN-UHFFFAOYSA-N 1 3 364.534 2.248 20 0 FEADHO CC[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1)N(CC)CC ZINC000265454542 329128644 /nfs/dbraw/zinc/12/86/44/329128644.db2.gz VGUNOTNSVNLYGC-PKOBYXMFSA-N 1 3 374.529 2.443 20 0 FEADHO CC[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1)N(CC)CC ZINC000265454542 329128645 /nfs/dbraw/zinc/12/86/45/329128645.db2.gz VGUNOTNSVNLYGC-PKOBYXMFSA-N 1 3 374.529 2.443 20 0 FEADHO CN(C)C1(CNC(=O)NC2CC[NH+](CC3CC3)CC2)Cc2ccccc2C1 ZINC000266522800 329232565 /nfs/dbraw/zinc/23/25/65/329232565.db2.gz OYCUGNGJWGJUCJ-UHFFFAOYSA-N 1 3 370.541 2.259 20 0 FEADHO CC[NH+](CC)CCCCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000266788389 329259985 /nfs/dbraw/zinc/25/99/85/329259985.db2.gz AMPQDWUZLALTFJ-UHFFFAOYSA-N 1 3 360.546 2.437 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266820147 329262839 /nfs/dbraw/zinc/26/28/39/329262839.db2.gz FOVLHAFPIQGJOA-HXUWFJFHSA-N 1 3 370.541 2.143 20 0 FEADHO CC[NH+](CC)CCOc1cc(NC(=O)N(C)CCN(C)C)ccc1OC ZINC000266940211 329274820 /nfs/dbraw/zinc/27/48/20/329274820.db2.gz CEPSWQDKJPZHSP-UHFFFAOYSA-N 1 3 366.506 2.441 20 0 FEADHO C[C@H](CC(N)=O)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000267245634 329306517 /nfs/dbraw/zinc/30/65/17/329306517.db2.gz NKMNTLVCAHVTOG-GOSISDBHSA-N 1 3 366.509 2.362 20 0 FEADHO CCO[C@H](CC[NH+](C)C)CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000267932102 329369532 /nfs/dbraw/zinc/36/95/32/329369532.db2.gz FVFWOMASTILGCX-HXUWFJFHSA-N 1 3 361.530 2.372 20 0 FEADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H](CN)c3ccccc3)nc2)CC1 ZINC000269291957 329504466 /nfs/dbraw/zinc/50/44/66/329504466.db2.gz LLLRXMMXPAICQN-LJQANCHMSA-N 1 3 367.497 2.293 20 0 FEADHO CC[NH+](CC)Cc1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000281808812 330175760 /nfs/dbraw/zinc/17/57/60/330175760.db2.gz PZWUIWOCFGGEKD-UHFFFAOYSA-N 1 3 360.546 2.284 20 0 FEADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CN2CCN1CCC2 ZINC000367053225 330211945 /nfs/dbraw/zinc/21/19/45/330211945.db2.gz OXZYFHXXFQBICN-FQEVSTJZSA-N 1 3 356.514 2.043 20 0 FEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000426245149 330271787 /nfs/dbraw/zinc/27/17/87/330271787.db2.gz LITYDQHPRFYCJF-ZWKOTPCHSA-N 1 3 366.550 2.146 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000477707524 561151521 /nfs/dbraw/zinc/15/15/21/561151521.db2.gz YULMBMUSIUPKGW-QGZVFWFLSA-N 1 3 352.567 2.170 20 0 FEADHO COc1cnccc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000478466790 561167643 /nfs/dbraw/zinc/16/76/43/561167643.db2.gz JLVNMXZXYRHUNH-GOSISDBHSA-N 1 3 358.486 2.146 20 0 FEADHO COc1cnccc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000478466790 561167644 /nfs/dbraw/zinc/16/76/44/561167644.db2.gz JLVNMXZXYRHUNH-GOSISDBHSA-N 1 3 358.486 2.146 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)C[C@H](C)O1 ZINC000175798311 546353440 /nfs/dbraw/zinc/35/34/40/546353440.db2.gz VWWJSYYXLUIALN-SCTDSRPQSA-N 1 3 356.551 2.374 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000176170794 546415879 /nfs/dbraw/zinc/41/58/79/546415879.db2.gz XXAXUQNTIXWQIZ-UHFFFAOYSA-N 1 3 368.566 2.297 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177529272 546637254 /nfs/dbraw/zinc/63/72/54/546637254.db2.gz XBQSQBOUVHVYRX-LJQANCHMSA-N 1 3 366.550 2.194 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)C[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000178876341 546865003 /nfs/dbraw/zinc/86/50/03/546865003.db2.gz KVCDONCLHYYPIM-IBGZPJMESA-N 1 3 358.530 2.156 20 0 FEADHO C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178979108 546882845 /nfs/dbraw/zinc/88/28/45/546882845.db2.gz RSIQCVDNSHLXQR-INIZCTEOSA-N 1 3 355.486 2.415 20 0 FEADHO CN(C)[C@]1(CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)CCSC1 ZINC000481809096 561242954 /nfs/dbraw/zinc/24/29/54/561242954.db2.gz NYJGIUXBSNZWKC-SFHVURJKSA-N 1 3 366.531 2.186 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H](C)C2CCOCC2)CC1 ZINC000179879936 547023500 /nfs/dbraw/zinc/02/35/00/547023500.db2.gz PAVHUSKJEAOYCL-GOSISDBHSA-N 1 3 373.541 2.480 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000482555377 561255830 /nfs/dbraw/zinc/25/58/30/561255830.db2.gz YJHPUDZUUFZDKA-NRSPTQNISA-N 1 3 372.557 2.074 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000483014921 561264975 /nfs/dbraw/zinc/26/49/75/561264975.db2.gz AXTOVGUDZKSNNV-QGZVFWFLSA-N 1 3 368.566 2.440 20 0 FEADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000180939939 547215708 /nfs/dbraw/zinc/21/57/08/547215708.db2.gz ACOHTGQYCXWOFE-SFHVURJKSA-N 1 3 369.937 2.038 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN(CCOC(C)C)CC2)C[C@H]1C ZINC000483824619 561284813 /nfs/dbraw/zinc/28/48/13/561284813.db2.gz UQLRTFQPLYGQAQ-IEBWSBKVSA-N 1 3 368.566 2.390 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN(CCOC(C)C)CC2)C[C@H]1C ZINC000483824619 561284814 /nfs/dbraw/zinc/28/48/14/561284814.db2.gz UQLRTFQPLYGQAQ-IEBWSBKVSA-N 1 3 368.566 2.390 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)ccn1 ZINC000183162122 547613560 /nfs/dbraw/zinc/61/35/60/547613560.db2.gz ABIGPCAVJULWPB-SFHVURJKSA-N 1 3 360.502 2.113 20 0 FEADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000484939100 561309049 /nfs/dbraw/zinc/30/90/49/561309049.db2.gz RLDBRAUABWZHEY-YOEHRIQHSA-N 1 3 355.486 2.487 20 0 FEADHO CCN1CCN(CCCC[NH2+]Cc2cncc(Br)c2)CC1 ZINC000186588801 548155541 /nfs/dbraw/zinc/15/55/41/548155541.db2.gz JASVDWDVMNMOFJ-UHFFFAOYSA-N 1 3 355.324 2.351 20 0 FEADHO CN(CC1([NH+](C)C)CCC1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000186964667 548230845 /nfs/dbraw/zinc/23/08/45/548230845.db2.gz ZJSWOMGHBHPQHH-UHFFFAOYSA-N 1 3 368.591 2.474 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000486492078 561348830 /nfs/dbraw/zinc/34/88/30/561348830.db2.gz JRPNHNQNZWJTME-ZIFCJYIRSA-N 1 3 359.514 2.200 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000486492078 561348831 /nfs/dbraw/zinc/34/88/31/561348831.db2.gz JRPNHNQNZWJTME-ZIFCJYIRSA-N 1 3 359.514 2.200 20 0 FEADHO CC(C)[C@@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)N1CCc2ccccc2C1 ZINC000236681947 548773291 /nfs/dbraw/zinc/77/32/91/548773291.db2.gz XAIZCLUHCQJTTR-RTBURBONSA-N 1 3 361.555 2.281 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000236996038 548793573 /nfs/dbraw/zinc/79/35/73/548793573.db2.gz RPBSSPIFFPPULT-HXUWFJFHSA-N 1 3 352.482 2.258 20 0 FEADHO C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)[C@H](N)c1ccccc1 ZINC000237566084 548835874 /nfs/dbraw/zinc/83/58/74/548835874.db2.gz VBOJDPANBXHUKA-HKUYNNGSSA-N 1 3 359.514 2.474 20 0 FEADHO C[C@H]1CN(CCC2CCN(C(=O)C3(C[NH3+])CCCC3)CC2)C[C@H](C)O1 ZINC000237604899 548838634 /nfs/dbraw/zinc/83/86/34/548838634.db2.gz AYQMTOUCFCFDEY-IRXDYDNUSA-N 1 3 351.535 2.243 20 0 FEADHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000237755378 548849468 /nfs/dbraw/zinc/84/94/68/548849468.db2.gz KVSFWJRRUIEKCU-GOSISDBHSA-N 1 3 365.905 2.442 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000245663181 548969191 /nfs/dbraw/zinc/96/91/91/548969191.db2.gz DJUUUZFPPKESMA-YGFFAISXSA-N 1 3 358.530 2.474 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000245663181 548969193 /nfs/dbraw/zinc/96/91/93/548969193.db2.gz DJUUUZFPPKESMA-YGFFAISXSA-N 1 3 358.530 2.474 20 0 FEADHO C[C@@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)N1[C@H](C)CC[C@H]1C ZINC000245658888 548969495 /nfs/dbraw/zinc/96/94/95/548969495.db2.gz MHIMDPXVLZCWLE-IOSNBQJQSA-N 1 3 362.562 2.017 20 0 FEADHO C[C@@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)N1[C@H](C)CC[C@H]1C ZINC000245658888 548969497 /nfs/dbraw/zinc/96/94/97/548969497.db2.gz MHIMDPXVLZCWLE-IOSNBQJQSA-N 1 3 362.562 2.017 20 0 FEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)[C@H]1CCCO1 ZINC000245696031 548977363 /nfs/dbraw/zinc/97/73/63/548977363.db2.gz VLJKFIIAXHLNRK-FGTMMUONSA-N 1 3 354.539 2.002 20 0 FEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)[C@H]1CCCO1 ZINC000245696031 548977368 /nfs/dbraw/zinc/97/73/68/548977368.db2.gz VLJKFIIAXHLNRK-FGTMMUONSA-N 1 3 354.539 2.002 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000245929196 549022053 /nfs/dbraw/zinc/02/20/53/549022053.db2.gz SCTDQRZFSIEPCI-XUVXKRRUSA-N 1 3 371.525 2.415 20 0 FEADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000245986912 549031220 /nfs/dbraw/zinc/03/12/20/549031220.db2.gz QDHCFKANCZXEOO-AZUAARDMSA-N 1 3 371.529 2.424 20 0 FEADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000245986912 549031221 /nfs/dbraw/zinc/03/12/21/549031221.db2.gz QDHCFKANCZXEOO-AZUAARDMSA-N 1 3 371.529 2.424 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)C[C@@H](C)O1 ZINC000246571139 549163601 /nfs/dbraw/zinc/16/36/01/549163601.db2.gz VAEBPQPAYBACIV-MBOZVWFJSA-N 1 3 359.514 2.077 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCN2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000247301509 549314557 /nfs/dbraw/zinc/31/45/57/549314557.db2.gz VAEYEYZIOSADTL-FHWLQOOXSA-N 1 3 368.566 2.155 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCCN2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000247301509 549314558 /nfs/dbraw/zinc/31/45/58/549314558.db2.gz VAEYEYZIOSADTL-FHWLQOOXSA-N 1 3 368.566 2.155 20 0 FEADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000247317856 549316270 /nfs/dbraw/zinc/31/62/70/549316270.db2.gz RXXIZZAELSPQJY-FPOVZHCZSA-N 1 3 370.541 2.141 20 0 FEADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000247317856 549316273 /nfs/dbraw/zinc/31/62/73/549316273.db2.gz RXXIZZAELSPQJY-FPOVZHCZSA-N 1 3 370.541 2.141 20 0 FEADHO O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000247987091 549398018 /nfs/dbraw/zinc/39/80/18/549398018.db2.gz IXYGVSNDKLBFIL-NJYVYQBISA-N 1 3 354.498 2.231 20 0 FEADHO O[C@@H](Cn1cccn1)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000247987091 549398020 /nfs/dbraw/zinc/39/80/20/549398020.db2.gz IXYGVSNDKLBFIL-NJYVYQBISA-N 1 3 354.498 2.231 20 0 FEADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C(=O)N1CCOCC1 ZINC000248418985 549433146 /nfs/dbraw/zinc/43/31/46/549433146.db2.gz UHDUCXBBFHILSI-MXEMCNAFSA-N 1 3 371.525 2.124 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000248875724 549518603 /nfs/dbraw/zinc/51/86/03/549518603.db2.gz QZUZDSNVOLXJRT-YVWKXTFCSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000248875724 549518608 /nfs/dbraw/zinc/51/86/08/549518608.db2.gz QZUZDSNVOLXJRT-YVWKXTFCSA-N 1 3 356.514 2.290 20 0 FEADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C1CCOCC1 ZINC000261728979 549748865 /nfs/dbraw/zinc/74/88/65/549748865.db2.gz JUMJOJZXVUHZAR-QUCCMNQESA-N 1 3 359.514 2.111 20 0 FEADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C1CCOCC1 ZINC000261728979 549748868 /nfs/dbraw/zinc/74/88/68/549748868.db2.gz JUMJOJZXVUHZAR-QUCCMNQESA-N 1 3 359.514 2.111 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2ccc(OC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261944740 549772567 /nfs/dbraw/zinc/77/25/67/549772567.db2.gz YBYYHIHHIIXEIK-RDJZCZTQSA-N 1 3 367.440 2.368 20 0 FEADHO Cc1cccc(C)c1OCCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262135522 549791606 /nfs/dbraw/zinc/79/16/06/549791606.db2.gz ORJWLRGNGBHKBR-RTBURBONSA-N 1 3 359.514 2.262 20 0 FEADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@@H](C)C1 ZINC000490267661 561429953 /nfs/dbraw/zinc/42/99/53/561429953.db2.gz HCRLDMJQBIFQIB-RCCFBDPRSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@@H](C)C1 ZINC000490267660 561429977 /nfs/dbraw/zinc/42/99/77/561429977.db2.gz HCRLDMJQBIFQIB-OKZBNKHCSA-N 1 3 350.551 2.480 20 0 FEADHO O=C(CCC1CC[NH2+]CC1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000262897570 549860638 /nfs/dbraw/zinc/86/06/38/549860638.db2.gz DGCPBXNKYKWBRQ-NRFANRHFSA-N 1 3 373.541 2.328 20 0 FEADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000263114758 549878693 /nfs/dbraw/zinc/87/86/93/549878693.db2.gz FPTHCAZYGYCCJW-IBGZPJMESA-N 1 3 360.502 2.101 20 0 FEADHO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000490978597 561441127 /nfs/dbraw/zinc/44/11/27/561441127.db2.gz VOUMLIFMGUSQEM-HNNXBMFYSA-N 1 3 362.474 2.261 20 0 FEADHO C[C@H](NCc1cccc(OCC(N)=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268892619 550128277 /nfs/dbraw/zinc/12/82/77/550128277.db2.gz AXPMVJJDWPFENQ-INIZCTEOSA-N 1 3 371.481 2.342 20 0 FEADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1(O)CCN(C)CC1 ZINC000269001321 550143190 /nfs/dbraw/zinc/14/31/90/550143190.db2.gz PHQFZVDTDRROBE-ZDUSSCGKSA-N 1 3 373.419 2.469 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H]2CCC[C@@]2(C)CO)CC1 ZINC000493412111 561456021 /nfs/dbraw/zinc/45/60/21/561456021.db2.gz MYACGHFHDNBJQJ-UNMCSNQZSA-N 1 3 373.541 2.216 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H]2CCC[C@@]2(C)CO)CC1 ZINC000493412111 561456022 /nfs/dbraw/zinc/45/60/22/561456022.db2.gz MYACGHFHDNBJQJ-UNMCSNQZSA-N 1 3 373.541 2.216 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H](O)c3ccccc3Cl)CC2)CC1 ZINC000271087803 550339274 /nfs/dbraw/zinc/33/92/74/550339274.db2.gz SRGZRHDGYRZASO-GOSISDBHSA-N 1 3 365.905 2.048 20 0 FEADHO CC[NH+]1CCC(NCCNC(=O)c2cccc(Br)c2)CC1 ZINC000271695097 550395644 /nfs/dbraw/zinc/39/56/44/550395644.db2.gz LFRNOIVEGVEQPA-UHFFFAOYSA-N 1 3 354.292 2.253 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)N2CCCC2)cc1 ZINC000271824765 550404564 /nfs/dbraw/zinc/40/45/64/550404564.db2.gz PRPYOZRJNKICOX-HXUWFJFHSA-N 1 3 372.513 2.393 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccc(OCCC[NH+](C)C)cc3)[C@H]2C1 ZINC000272326951 550437643 /nfs/dbraw/zinc/43/76/43/550437643.db2.gz JLKPOLCIQPDCDP-QUCCMNQESA-N 1 3 374.529 2.253 20 0 FEADHO CN1CCN(C)[C@H](CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000272725510 550467353 /nfs/dbraw/zinc/46/73/53/550467353.db2.gz YOAXYURJBKSXSI-LNRXMEIDSA-N 1 3 356.558 2.123 20 0 FEADHO CN1CCN(C)[C@H](CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000272725510 550467355 /nfs/dbraw/zinc/46/73/55/550467355.db2.gz YOAXYURJBKSXSI-LNRXMEIDSA-N 1 3 356.558 2.123 20 0 FEADHO CN1CCN(C)[C@H](C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000272725510 550467357 /nfs/dbraw/zinc/46/73/57/550467357.db2.gz YOAXYURJBKSXSI-LNRXMEIDSA-N 1 3 356.558 2.123 20 0 FEADHO CN1CCC(CC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000273155926 550487252 /nfs/dbraw/zinc/48/72/52/550487252.db2.gz ARUPUDISLLLZFA-GOSISDBHSA-N 1 3 372.513 2.054 20 0 FEADHO CN1CCC(CC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000273155926 550487254 /nfs/dbraw/zinc/48/72/54/550487254.db2.gz ARUPUDISLLLZFA-GOSISDBHSA-N 1 3 372.513 2.054 20 0 FEADHO CN(C(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)[C@@H]1CCCN(C)C1 ZINC000277619609 550692820 /nfs/dbraw/zinc/69/28/20/550692820.db2.gz IKPLIESAIVOPOR-GOSISDBHSA-N 1 3 369.513 2.278 20 0 FEADHO C[NH+]1CCC(O)(CNCc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000282064145 551175808 /nfs/dbraw/zinc/17/58/08/551175808.db2.gz QDOOKQSZTRPWNV-UHFFFAOYSA-N 1 3 356.492 2.036 20 0 FEADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(N2CCOCC2)c1 ZINC000282512417 551239884 /nfs/dbraw/zinc/23/98/84/551239884.db2.gz ZCKAMXRPEDNKSP-SFHVURJKSA-N 1 3 360.546 2.200 20 0 FEADHO C[C@H](N[C@@H](CO)C[C@H](O)C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000284339842 551527234 /nfs/dbraw/zinc/52/72/34/551527234.db2.gz MSYKEJKJDZRLFB-WDYCEAGBSA-N 1 3 352.519 2.436 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N[C@@H](C)C[NH+](C)C)CC2)cc1 ZINC000287074955 551960451 /nfs/dbraw/zinc/96/04/51/551960451.db2.gz BRPJJBSKBFCNAG-INIZCTEOSA-N 1 3 362.518 2.157 20 0 FEADHO CO[C@@H](CN)C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000290101958 552427781 /nfs/dbraw/zinc/42/77/81/552427781.db2.gz KAWXUBWOGLAMHY-FQEVSTJZSA-N 1 3 355.482 2.169 20 0 FEADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1c[nH]c2nccnc12 ZINC000290912832 552560701 /nfs/dbraw/zinc/56/07/01/552560701.db2.gz PNDYDXWNOWGEOD-GOSISDBHSA-N 1 3 351.454 2.204 20 0 FEADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1c[nH]c2nccnc12 ZINC000290912832 552560702 /nfs/dbraw/zinc/56/07/02/552560702.db2.gz PNDYDXWNOWGEOD-GOSISDBHSA-N 1 3 351.454 2.204 20 0 FEADHO CCN1CCN(Cc2ccccc2C[NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000290981669 552571948 /nfs/dbraw/zinc/57/19/48/552571948.db2.gz YOXLHSHTLYTSIN-UHFFFAOYSA-N 1 3 364.497 2.385 20 0 FEADHO COC(=O)CCCN1CCC(Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000291201581 552599637 /nfs/dbraw/zinc/59/96/37/552599637.db2.gz NACGFZTYHIUZOJ-UHFFFAOYSA-N 1 3 363.502 2.457 20 0 FEADHO CN1CC[C@]2(CC[N@H+](C[C@H](O)COc3ccccc3C(F)(F)F)C2)C1 ZINC000292272397 552710916 /nfs/dbraw/zinc/71/09/16/552710916.db2.gz ZQQABXWJGROQQM-YOEHRIQHSA-N 1 3 358.404 2.473 20 0 FEADHO CN1CC[C@]2(CC[N@@H+](C[C@H](O)COc3ccccc3C(F)(F)F)C2)C1 ZINC000292272397 552710917 /nfs/dbraw/zinc/71/09/17/552710917.db2.gz ZQQABXWJGROQQM-YOEHRIQHSA-N 1 3 358.404 2.473 20 0 FEADHO COc1cc(CN2CC[C@H](O)C[C@@H]2C)cc(CN2CC[C@H](O)C[C@@H]2C)c1 ZINC000293178040 552796397 /nfs/dbraw/zinc/79/63/97/552796397.db2.gz DIKDJKNDPGFQAG-FVCZOJIISA-N 1 3 362.514 2.386 20 0 FEADHO COc1cc(CN2CC[C@H](O)C[C@@H]2C)cc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1 ZINC000293178040 552796398 /nfs/dbraw/zinc/79/63/98/552796398.db2.gz DIKDJKNDPGFQAG-FVCZOJIISA-N 1 3 362.514 2.386 20 0 FEADHO COc1cc(CN2CC[C@H](O)C[C@@H]2C)cc(C[N@H+]2CC[C@H](O)C[C@@H]2C)c1 ZINC000293178040 552796399 /nfs/dbraw/zinc/79/63/99/552796399.db2.gz DIKDJKNDPGFQAG-FVCZOJIISA-N 1 3 362.514 2.386 20 0 FEADHO CC(C)N1CCN(C2CC[NH+](C[C@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000293754190 552853344 /nfs/dbraw/zinc/85/33/44/552853344.db2.gz JERJLJIWHOZUOI-OAQYLSRUSA-N 1 3 363.521 2.220 20 0 FEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccnc(Br)c1 ZINC000293771788 552855138 /nfs/dbraw/zinc/85/51/38/552855138.db2.gz KZKFODSSCGKMCH-UHFFFAOYSA-N 1 3 355.324 2.302 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000501734336 561604343 /nfs/dbraw/zinc/60/43/43/561604343.db2.gz NVQHOYJZCGWGGL-UXHICEINSA-N 1 3 356.514 2.361 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000501734336 561604344 /nfs/dbraw/zinc/60/43/44/561604344.db2.gz NVQHOYJZCGWGGL-UXHICEINSA-N 1 3 356.514 2.361 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296893070 553225973 /nfs/dbraw/zinc/22/59/73/553225973.db2.gz CZILNEHGFNFKQP-MNIJEXPFSA-N 1 3 356.514 2.431 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296893070 553225975 /nfs/dbraw/zinc/22/59/75/553225975.db2.gz CZILNEHGFNFKQP-MNIJEXPFSA-N 1 3 356.514 2.431 20 0 FEADHO CCCN(CCN1CCCC1)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000502896750 561629339 /nfs/dbraw/zinc/62/93/39/561629339.db2.gz QWANCULTVJYFIT-GOSISDBHSA-N 1 3 354.539 2.005 20 0 FEADHO CCCN(CCN1CCCC1)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000502896750 561629340 /nfs/dbraw/zinc/62/93/40/561629340.db2.gz QWANCULTVJYFIT-GOSISDBHSA-N 1 3 354.539 2.005 20 0 FEADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCC3CCN(c4ccncc4)CC3)C2)C1 ZINC000297101171 553253292 /nfs/dbraw/zinc/25/32/92/553253292.db2.gz ANCVBUOBOZDYFS-OAQYLSRUSA-N 1 3 371.529 2.425 20 0 FEADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)NCC3CCN(c4ccncc4)CC3)C2)C1 ZINC000297101171 553253294 /nfs/dbraw/zinc/25/32/94/553253294.db2.gz ANCVBUOBOZDYFS-OAQYLSRUSA-N 1 3 371.529 2.425 20 0 FEADHO C[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCN(C2CC2)C1 ZINC000297542481 553306670 /nfs/dbraw/zinc/30/66/70/553306670.db2.gz MSHWHYWVWMWAQP-KRWDZBQOSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298507609 553433907 /nfs/dbraw/zinc/43/39/07/553433907.db2.gz QTRZLEMVTBSKAU-FQEVSTJZSA-N 1 3 352.482 2.340 20 0 FEADHO C[C@@H](CNC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)N(C)C ZINC000298591839 553445962 /nfs/dbraw/zinc/44/59/62/553445962.db2.gz GJORXUVCPCDTKR-INIZCTEOSA-N 1 3 374.529 2.456 20 0 FEADHO C[C@@H](CNC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)N(C)C ZINC000298591839 553445963 /nfs/dbraw/zinc/44/59/63/553445963.db2.gz GJORXUVCPCDTKR-INIZCTEOSA-N 1 3 374.529 2.456 20 0 FEADHO COCCN(C)CCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000298610959 553448899 /nfs/dbraw/zinc/44/88/99/553448899.db2.gz KNNNPVRPEJKCLW-UHFFFAOYSA-N 1 3 362.518 2.050 20 0 FEADHO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000504562178 561659762 /nfs/dbraw/zinc/65/97/62/561659762.db2.gz XFPSDRJCNMTSDN-YJBOKZPZSA-N 1 3 357.564 2.091 20 0 FEADHO COCC1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000311809517 553755395 /nfs/dbraw/zinc/75/53/95/553755395.db2.gz OQOGBZMJQMMZTN-IBGZPJMESA-N 1 3 359.514 2.031 20 0 FEADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccc(Br)cc1 ZINC000314601968 553759768 /nfs/dbraw/zinc/75/97/68/553759768.db2.gz SNVSGMBNHMFPBR-CZUORRHYSA-N 1 3 369.303 2.263 20 0 FEADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc(Br)cc1 ZINC000314601968 553759770 /nfs/dbraw/zinc/75/97/70/553759770.db2.gz SNVSGMBNHMFPBR-CZUORRHYSA-N 1 3 369.303 2.263 20 0 FEADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccc(Br)cc1 ZINC000314601968 553759772 /nfs/dbraw/zinc/75/97/72/553759772.db2.gz SNVSGMBNHMFPBR-CZUORRHYSA-N 1 3 369.303 2.263 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccccc1F ZINC000505825646 561682036 /nfs/dbraw/zinc/68/20/36/561682036.db2.gz PWJLPFSIUBBNCD-INIZCTEOSA-N 1 3 351.466 2.079 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccccc1F ZINC000505825646 561682037 /nfs/dbraw/zinc/68/20/37/561682037.db2.gz PWJLPFSIUBBNCD-INIZCTEOSA-N 1 3 351.466 2.079 20 0 FEADHO CC[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)N(C)C ZINC000507284178 561723646 /nfs/dbraw/zinc/72/36/46/561723646.db2.gz PHXFSNGOXFCBFA-VQTJNVASSA-N 1 3 373.541 2.372 20 0 FEADHO CC[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)N(C)C ZINC000507284178 561723647 /nfs/dbraw/zinc/72/36/47/561723647.db2.gz PHXFSNGOXFCBFA-VQTJNVASSA-N 1 3 373.541 2.372 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000509411964 561798441 /nfs/dbraw/zinc/79/84/41/561798441.db2.gz YEZHLDZCHDVNEC-UYAOXDASSA-N 1 3 356.514 2.072 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@]4(CC[NH2+]C4)C3)c(C)c2)CC1 ZINC000333203723 554588656 /nfs/dbraw/zinc/58/86/56/554588656.db2.gz YNTDWBDPJOFBRN-NRFANRHFSA-N 1 3 371.529 2.354 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC(N[C@@H](C)[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000333251080 554594492 /nfs/dbraw/zinc/59/44/92/554594492.db2.gz GTMXFFPTIJFRPF-QFBILLFUSA-N 1 3 365.543 2.268 20 0 FEADHO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000333280272 554597919 /nfs/dbraw/zinc/59/79/19/554597919.db2.gz MHWYEQHYSZJNKB-FGTMMUONSA-N 1 3 357.564 2.089 20 0 FEADHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC3(N4CCSCC4)CCCCC3)C[C@@H]12 ZINC000333463158 554615778 /nfs/dbraw/zinc/61/57/78/554615778.db2.gz ZLBPJOPBUROWOA-GVDBMIGSSA-N 1 3 366.575 2.117 20 0 FEADHO C[C@@H](NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)C1=CC[N@H+](C)CC1 ZINC000333483194 554617287 /nfs/dbraw/zinc/61/72/87/554617287.db2.gz SQQNQCURRDXRIE-UXPWSPDFSA-N 1 3 371.529 2.366 20 0 FEADHO C[C@@H](NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)C1=CC[N@@H+](C)CC1 ZINC000333483194 554617288 /nfs/dbraw/zinc/61/72/88/554617288.db2.gz SQQNQCURRDXRIE-UXPWSPDFSA-N 1 3 371.529 2.366 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCC3CCN(c4ccncc4)CC3)C[C@H]21 ZINC000333571725 554624791 /nfs/dbraw/zinc/62/47/91/554624791.db2.gz MNAMEHRBHMCTIS-BHIYHBOVSA-N 1 3 357.502 2.067 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000333580537 554625173 /nfs/dbraw/zinc/62/51/73/554625173.db2.gz NQVRSUDTROYPMI-HTDHLNIYSA-N 1 3 356.514 2.276 20 0 FEADHO [NH3+]C1(CNC(=O)NC[C@@H]2CCCCN2C2CC2)C2CC3CC(C2)CC1C3 ZINC000333845697 554649013 /nfs/dbraw/zinc/64/90/13/554649013.db2.gz WEGGVNSNFPPCRS-XNQJLTTFSA-N 1 3 360.546 2.456 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C[C@H]21 ZINC000333940333 554658391 /nfs/dbraw/zinc/65/83/91/554658391.db2.gz NYZRCNYQHREPFN-UAFMIMERSA-N 1 3 356.514 2.420 20 0 FEADHO C[C@]1(CNC(=O)NCC2(N3CCSCC3)CCCC2)CCC[NH2+]C1 ZINC000333951174 554660411 /nfs/dbraw/zinc/66/04/11/554660411.db2.gz YSXHHQJUXKGDBN-KRWDZBQOSA-N 1 3 354.564 2.037 20 0 FEADHO C[C@@]1(NCC2(C[NH2+][C@@]3(C)CCO[C@@H]3C3CC3)COC2)CCO[C@H]1C1CC1 ZINC000359961999 554857594 /nfs/dbraw/zinc/85/75/94/554857594.db2.gz UOCHWGIFXYQOJU-JVSBHGNQSA-N 1 3 364.530 2.097 20 0 FEADHO C[C@@]1([NH2+]CC2(CN[C@@]3(C)CCO[C@@H]3C3CC3)COC2)CCO[C@H]1C1CC1 ZINC000359961999 554857598 /nfs/dbraw/zinc/85/75/98/554857598.db2.gz UOCHWGIFXYQOJU-JVSBHGNQSA-N 1 3 364.530 2.097 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)CC1 ZINC000511762218 561880081 /nfs/dbraw/zinc/88/00/81/561880081.db2.gz KUJCBPISNVGPEA-NJYVYQBISA-N 1 3 371.525 2.091 20 0 FEADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000364662637 555366512 /nfs/dbraw/zinc/36/65/12/555366512.db2.gz MLLLBAPZAAIOKR-LULLPPNCSA-N 1 3 359.518 2.102 20 0 FEADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000364662637 555366515 /nfs/dbraw/zinc/36/65/15/555366515.db2.gz MLLLBAPZAAIOKR-LULLPPNCSA-N 1 3 359.518 2.102 20 0 FEADHO C[C@H](CCNC(=O)c1cnn(CCN2CCCCC2)c1)[NH+]1CCCCC1 ZINC000364961321 555451270 /nfs/dbraw/zinc/45/12/70/555451270.db2.gz YSOIETHJOQTOLD-GOSISDBHSA-N 1 3 361.534 2.363 20 0 FEADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1 ZINC000513135985 561926698 /nfs/dbraw/zinc/92/66/98/561926698.db2.gz QSFITNYGUASOKP-UHFFFAOYSA-N 1 3 360.546 2.238 20 0 FEADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1 ZINC000513135985 561926699 /nfs/dbraw/zinc/92/66/99/561926699.db2.gz QSFITNYGUASOKP-UHFFFAOYSA-N 1 3 360.546 2.238 20 0 FEADHO CC1CCN(C[C@H](O)C[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000513077572 561924584 /nfs/dbraw/zinc/92/45/84/561924584.db2.gz RHBIYHZUHOERTB-MRXNPFEDSA-N 1 3 351.457 2.086 20 0 FEADHO CC1CC[NH+](C[C@H](O)CNC2CCN(CCC(F)(F)F)CC2)CC1 ZINC000513077572 561924585 /nfs/dbraw/zinc/92/45/85/561924585.db2.gz RHBIYHZUHOERTB-MRXNPFEDSA-N 1 3 351.457 2.086 20 0 FEADHO CCN1CCN(CCCCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000365446215 555578149 /nfs/dbraw/zinc/57/81/49/555578149.db2.gz YVCAXSFUZDLCOK-HXUWFJFHSA-N 1 3 364.578 2.317 20 0 FEADHO CCN1CCN(CCCCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000365446215 555578152 /nfs/dbraw/zinc/57/81/52/555578152.db2.gz YVCAXSFUZDLCOK-HXUWFJFHSA-N 1 3 364.578 2.317 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCCO1 ZINC000365493270 555590310 /nfs/dbraw/zinc/59/03/10/555590310.db2.gz AMKDVSFNQWZHNY-RTBURBONSA-N 1 3 366.550 2.147 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000514056869 561958933 /nfs/dbraw/zinc/95/89/33/561958933.db2.gz NGDUFSDGCCFHJP-ZWKOTPCHSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000514056869 561958935 /nfs/dbraw/zinc/95/89/35/561958935.db2.gz NGDUFSDGCCFHJP-ZWKOTPCHSA-N 1 3 360.502 2.053 20 0 FEADHO CN1CCN(C(=O)c2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000514096214 561960149 /nfs/dbraw/zinc/96/01/49/561960149.db2.gz VJBLCYPEXGCCLJ-NJYVYQBISA-N 1 3 370.541 2.037 20 0 FEADHO CN1CCN(C(=O)c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000514096214 561960150 /nfs/dbraw/zinc/96/01/50/561960150.db2.gz VJBLCYPEXGCCLJ-NJYVYQBISA-N 1 3 370.541 2.037 20 0 FEADHO CN1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000514096214 561960151 /nfs/dbraw/zinc/96/01/51/561960151.db2.gz VJBLCYPEXGCCLJ-NJYVYQBISA-N 1 3 370.541 2.037 20 0 FEADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CCC4(CC3)NC(=O)NC4=O)CC2)C1 ZINC000367689368 556115337 /nfs/dbraw/zinc/11/53/37/556115337.db2.gz UXAGTTCKHKJBAQ-VWZCOVNWSA-N 1 3 362.518 2.140 20 0 FEADHO COCCOc1ccccc1CN1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000368051620 556204367 /nfs/dbraw/zinc/20/43/67/556204367.db2.gz OLXROEDENOADJV-IBGZPJMESA-N 1 3 361.530 2.171 20 0 FEADHO CC(=O)Nc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000368293039 556270562 /nfs/dbraw/zinc/27/05/62/556270562.db2.gz GAUYBNSHHDIUBT-UHFFFAOYSA-N 1 3 358.530 2.495 20 0 FEADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2CCc2ccccc2)C1 ZINC000368410672 556300494 /nfs/dbraw/zinc/30/04/94/556300494.db2.gz CVRQPNAMKJQLNS-PMACEKPBSA-N 1 3 358.530 2.287 20 0 FEADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000368482520 556322969 /nfs/dbraw/zinc/32/29/69/556322969.db2.gz KNSDJVGOOMLDGL-KCLUMXDGSA-N 1 3 371.525 2.332 20 0 FEADHO C[C@H]1CN(CCC2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)C[C@H](C)O1 ZINC000369168080 556523552 /nfs/dbraw/zinc/52/35/52/556523552.db2.gz RGBWCXUAPRPTEY-MHYXUVESSA-N 1 3 363.546 2.114 20 0 FEADHO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(C[NH+](C)C)CC1 ZINC000369190718 556530815 /nfs/dbraw/zinc/53/08/15/556530815.db2.gz AWSSBGPWOBAZSS-WIYYLYMNSA-N 1 3 372.557 2.039 20 0 FEADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)NCCCC[NH+]1CCCC1 ZINC000369392587 556588395 /nfs/dbraw/zinc/58/83/95/556588395.db2.gz IBYLDGBLYRXZJD-GUDVDZBRSA-N 1 3 366.550 2.051 20 0 FEADHO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000516182183 562034544 /nfs/dbraw/zinc/03/45/44/562034544.db2.gz LXRNZEYMNPITKM-ZACQAIPSSA-N 1 3 370.497 2.072 20 0 FEADHO COCCCN1CCCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000369660045 556661490 /nfs/dbraw/zinc/66/14/90/556661490.db2.gz ZZEPZNWYYMITGW-UHFFFAOYSA-N 1 3 354.539 2.005 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000369661128 556662008 /nfs/dbraw/zinc/66/20/08/556662008.db2.gz OYAYGYHOFDPJOX-LSTHTHJFSA-N 1 3 359.514 2.367 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000369661128 556662011 /nfs/dbraw/zinc/66/20/11/556662011.db2.gz OYAYGYHOFDPJOX-LSTHTHJFSA-N 1 3 359.514 2.367 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369746723 556684260 /nfs/dbraw/zinc/68/42/60/556684260.db2.gz VUQHQCADEQFDFA-VQTJNVASSA-N 1 3 373.545 2.419 20 0 FEADHO C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000371320527 557145115 /nfs/dbraw/zinc/14/51/15/557145115.db2.gz FORFTNMYSOABRR-CABCVRRESA-N 1 3 364.534 2.196 20 0 FEADHO C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371320527 557145117 /nfs/dbraw/zinc/14/51/17/557145117.db2.gz FORFTNMYSOABRR-CABCVRRESA-N 1 3 364.534 2.196 20 0 FEADHO CC(C)CN1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000517645067 562094584 /nfs/dbraw/zinc/09/45/84/562094584.db2.gz ZBAQHOAFIISFOY-UHFFFAOYSA-N 1 3 372.557 2.389 20 0 FEADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000371706322 557270201 /nfs/dbraw/zinc/27/02/01/557270201.db2.gz RWJOFQBXFQEQJM-IBGZPJMESA-N 1 3 363.546 2.498 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)c2cccn2C2CC[NH2+]CC2)c1 ZINC000372122564 557385419 /nfs/dbraw/zinc/38/54/19/557385419.db2.gz XWPIAZGICXXINH-UHFFFAOYSA-N 1 3 370.497 2.283 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@](C)(OC)C3CC3)CC2)CC1 ZINC000519603323 562136790 /nfs/dbraw/zinc/13/67/90/562136790.db2.gz CTEIBZSVSQKHNT-FQEVSTJZSA-N 1 3 351.535 2.114 20 0 FEADHO CN1CC[C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@@H]1c1cccnc1 ZINC000373121172 557633452 /nfs/dbraw/zinc/63/34/52/557633452.db2.gz KGQFYKOBQKYISU-IHPCNDPISA-N 1 3 371.529 2.391 20 0 FEADHO CN1CC[C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[C@@H]1c1cccnc1 ZINC000373121172 557633454 /nfs/dbraw/zinc/63/34/54/557633454.db2.gz KGQFYKOBQKYISU-IHPCNDPISA-N 1 3 371.529 2.391 20 0 FEADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000373453620 557696684 /nfs/dbraw/zinc/69/66/84/557696684.db2.gz OUNKAMSRRPPARJ-QYZOEREBSA-N 1 3 365.562 2.455 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000374189236 557840496 /nfs/dbraw/zinc/84/04/96/557840496.db2.gz HFUNIGGZLCEELD-CALCHBBNSA-N 1 3 351.535 2.066 20 0 FEADHO COc1cccc(N2CCC([NH2+]CCN3CCN(C)C(C)(C)C3)CC2)c1 ZINC000374242471 557849332 /nfs/dbraw/zinc/84/93/32/557849332.db2.gz XLTXKYHPKMFKNX-UHFFFAOYSA-N 1 3 360.546 2.280 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000374470451 557888170 /nfs/dbraw/zinc/88/81/70/557888170.db2.gz JDFGLGVVJAFDME-PKOBYXMFSA-N 1 3 357.502 2.224 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000374470451 557888172 /nfs/dbraw/zinc/88/81/72/557888172.db2.gz JDFGLGVVJAFDME-PKOBYXMFSA-N 1 3 357.502 2.224 20 0 FEADHO CC(C)N1CCN(C2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)CC1 ZINC000374908732 557949597 /nfs/dbraw/zinc/94/95/97/557949597.db2.gz GPMODRVQWYMSJJ-HXUWFJFHSA-N 1 3 353.551 2.410 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](C[C@H]3CCOC3)C2)CC1 ZINC000375012091 557963641 /nfs/dbraw/zinc/96/36/41/557963641.db2.gz JTBFSFKNGNIPDU-QZTJIDSGSA-N 1 3 351.535 2.114 20 0 FEADHO CN(C)C(=O)c1cccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000375236577 557996442 /nfs/dbraw/zinc/99/64/42/557996442.db2.gz GQKSKCXILFPRFR-UHFFFAOYSA-N 1 3 372.557 2.238 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)CC1 ZINC000375750651 558076624 /nfs/dbraw/zinc/07/66/24/558076624.db2.gz NLSSRNFEPSTDFI-MRXNPFEDSA-N 1 3 351.457 2.182 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)CC1 ZINC000375750651 558076625 /nfs/dbraw/zinc/07/66/25/558076625.db2.gz NLSSRNFEPSTDFI-MRXNPFEDSA-N 1 3 351.457 2.182 20 0 FEADHO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000375819179 558084457 /nfs/dbraw/zinc/08/44/57/558084457.db2.gz XYWWESMOMFPQLS-KKSFZXQISA-N 1 3 353.514 2.396 20 0 FEADHO Cc1nc2ccccc2nc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000375819179 558084459 /nfs/dbraw/zinc/08/44/59/558084459.db2.gz XYWWESMOMFPQLS-KKSFZXQISA-N 1 3 353.514 2.396 20 0 FEADHO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000375819177 558084610 /nfs/dbraw/zinc/08/46/10/558084610.db2.gz XYWWESMOMFPQLS-IIBYNOLFSA-N 1 3 353.514 2.396 20 0 FEADHO Cc1nc2ccccc2nc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000375819177 558084611 /nfs/dbraw/zinc/08/46/11/558084611.db2.gz XYWWESMOMFPQLS-IIBYNOLFSA-N 1 3 353.514 2.396 20 0 FEADHO CN(CC(=O)N(C)CC(F)(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376176279 558136956 /nfs/dbraw/zinc/13/69/56/558136956.db2.gz AUHKDHWKQREKHB-UHFFFAOYSA-N 1 3 358.408 2.251 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000376577138 558192824 /nfs/dbraw/zinc/19/28/24/558192824.db2.gz AGYNNQQVAPUJTH-SCTDSRPQSA-N 1 3 360.502 2.224 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000376577138 558192826 /nfs/dbraw/zinc/19/28/26/558192826.db2.gz AGYNNQQVAPUJTH-SCTDSRPQSA-N 1 3 360.502 2.224 20 0 FEADHO C[C@@H](CNC(=O)CC1(N2CCOCC2)CCCC1)C[NH+]1CCCCC1 ZINC000522853326 562204879 /nfs/dbraw/zinc/20/48/79/562204879.db2.gz FWRXTFQIMAFDPW-SFHVURJKSA-N 1 3 351.535 2.260 20 0 FEADHO CNc1cc(N2CCC[C@H]2CNC2CC[NH+](C3CCCC3)CC2)ncn1 ZINC000378400402 558547975 /nfs/dbraw/zinc/54/79/75/558547975.db2.gz JCBSTNIUXACTIZ-SFHVURJKSA-N 1 3 358.534 2.484 20 0 FEADHO CNc1cc(N2CCC[C@H]2C[NH2+]C2CCN(C3CCCC3)CC2)ncn1 ZINC000378400402 558547976 /nfs/dbraw/zinc/54/79/76/558547976.db2.gz JCBSTNIUXACTIZ-SFHVURJKSA-N 1 3 358.534 2.484 20 0 FEADHO CN(CC1CCCCC1)C(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378433232 558556136 /nfs/dbraw/zinc/55/61/36/558556136.db2.gz QBULDVVSKLVOMD-HXUWFJFHSA-N 1 3 364.578 2.125 20 0 FEADHO COCCN1CC[C@H](NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000524135939 562224283 /nfs/dbraw/zinc/22/42/83/562224283.db2.gz XQNLGLLOXBODHX-VQTJNVASSA-N 1 3 374.529 2.152 20 0 FEADHO Cc1cc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1CN(C)C ZINC000411337870 558879733 /nfs/dbraw/zinc/87/97/33/558879733.db2.gz VZGZCJAWHYGQPT-IBGZPJMESA-N 1 3 374.529 2.328 20 0 FEADHO Cc1cc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)ccc1CN(C)C ZINC000411337870 558879734 /nfs/dbraw/zinc/87/97/34/558879734.db2.gz VZGZCJAWHYGQPT-IBGZPJMESA-N 1 3 374.529 2.328 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2cccc(-n3cccn3)c2)CC1 ZINC000411465542 558899710 /nfs/dbraw/zinc/89/97/10/558899710.db2.gz XAMSFLXGYFTHMF-MRXNPFEDSA-N 1 3 355.486 2.123 20 0 FEADHO C[NH+](C)CCc1ccccc1NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000526122021 562267596 /nfs/dbraw/zinc/26/75/96/562267596.db2.gz YIUXOCNJELEPIE-QFIPXVFZSA-N 1 3 367.493 2.366 20 0 FEADHO O=C(N[C@H](CO)CN1CCCCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413796089 559130929 /nfs/dbraw/zinc/13/09/29/559130929.db2.gz GBCGLSCGFJKBRC-FQEVSTJZSA-N 1 3 359.514 2.249 20 0 FEADHO CN1CCC(C[NH2+][C@H](Cc2ccccc2)C2CC2)(N2CCOCC2)CC1 ZINC000414203799 559152993 /nfs/dbraw/zinc/15/29/93/559152993.db2.gz VMPMAYJXAMGMSE-OAQYLSRUSA-N 1 3 357.542 2.394 20 0 FEADHO CN(C)c1ncc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)n1C ZINC000414300176 559155399 /nfs/dbraw/zinc/15/53/99/559155399.db2.gz UQCFSMWDQZQFOF-UHFFFAOYSA-N 1 3 370.545 2.178 20 0 FEADHO COC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CCOCC1 ZINC000414296340 559155449 /nfs/dbraw/zinc/15/54/49/559155449.db2.gz FANRWGBUIMZNLL-HXUWFJFHSA-N 1 3 362.514 2.045 20 0 FEADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@H]1CCCOC1 ZINC000414335699 559157141 /nfs/dbraw/zinc/15/71/41/559157141.db2.gz HPZPMWVSIQFAGH-UZLBHIALSA-N 1 3 359.514 2.289 20 0 FEADHO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000414447593 559164498 /nfs/dbraw/zinc/16/44/98/559164498.db2.gz LFAKWDJGIMRQDL-UHFFFAOYSA-N 1 3 359.493 2.435 20 0 FEADHO CSc1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)s1 ZINC000414487829 559168021 /nfs/dbraw/zinc/16/80/21/559168021.db2.gz SQNLULVXOJCBIJ-UHFFFAOYSA-N 1 3 355.573 2.356 20 0 FEADHO CC(C)Oc1cccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414488437 559168150 /nfs/dbraw/zinc/16/81/50/559168150.db2.gz UCWMOAHPLQQHFM-UHFFFAOYSA-N 1 3 361.530 2.360 20 0 FEADHO CNC(=O)NC1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000414539396 559170645 /nfs/dbraw/zinc/17/06/45/559170645.db2.gz DEWNTXGWCXRNEO-UHFFFAOYSA-N 1 3 373.545 2.110 20 0 FEADHO CCc1ccccc1NC(=O)CN1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414728854 559182735 /nfs/dbraw/zinc/18/27/35/559182735.db2.gz DDECUPZBDBQYKJ-ZWKOTPCHSA-N 1 3 358.530 2.193 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccccc2CNC)CC1 ZINC000414747998 559184495 /nfs/dbraw/zinc/18/44/95/559184495.db2.gz VSRLBCOODWOOPS-UHFFFAOYSA-N 1 3 374.529 2.315 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2ccccc2CNC)CC1 ZINC000414747998 559184496 /nfs/dbraw/zinc/18/44/96/559184496.db2.gz VSRLBCOODWOOPS-UHFFFAOYSA-N 1 3 374.529 2.315 20 0 FEADHO FC(F)(F)c1cc(Br)cc(CNCCN2CC[NH2+]CC2)c1 ZINC000414873475 559192258 /nfs/dbraw/zinc/19/22/58/559192258.db2.gz XRAVEQJIFPJENH-UHFFFAOYSA-N 1 3 366.225 2.463 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+]CCCNCc2cccnc2)CC1 ZINC000414881069 559192783 /nfs/dbraw/zinc/19/27/83/559192783.db2.gz QXPJQKXRMSLPAQ-UHFFFAOYSA-N 1 3 367.541 2.493 20 0 FEADHO Cn1cc(-c2ccc(CNC[C@@H](N3CC[NH2+]CC3)C(F)(F)F)s2)cn1 ZINC000414976370 559198366 /nfs/dbraw/zinc/19/83/66/559198366.db2.gz PRNCMZUYNRWSIT-OAHLLOKOSA-N 1 3 373.448 2.074 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCCN2CC(C)C)c1 ZINC000414986713 559199110 /nfs/dbraw/zinc/19/91/10/559199110.db2.gz JIMQANUJLJBIAR-LJQANCHMSA-N 1 3 374.529 2.361 20 0 FEADHO O=C1CC[C@@H](NCc2ccccc2C(F)(F)F)[C@H](C2CC[NH2+]CC2)N1 ZINC000414996940 559199799 /nfs/dbraw/zinc/19/97/99/559199799.db2.gz YMXBEIVTQOLSDX-WBVHZDCISA-N 1 3 355.404 2.442 20 0 FEADHO Cc1cc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)n(C2CCN(C)CC2)n1 ZINC000527093397 562276238 /nfs/dbraw/zinc/27/62/38/562276238.db2.gz UWAQNFAABLVSSS-UHFFFAOYSA-N 1 3 372.517 2.326 20 0 FEADHO COc1cccc(C2(C[NH2+]C[C@@H]3CCCN(C(=O)CN)C3)CCCC2)c1 ZINC000415085901 559204566 /nfs/dbraw/zinc/20/45/66/559204566.db2.gz IYPINAWLMUYLPY-KRWDZBQOSA-N 1 3 359.514 2.294 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)o1 ZINC000415119604 559206180 /nfs/dbraw/zinc/20/61/80/559206180.db2.gz YYJNKJRXTFXTGD-OAHLLOKOSA-N 1 3 372.469 2.137 20 0 FEADHO COc1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc2c1OCCO2 ZINC000415122431 559206383 /nfs/dbraw/zinc/20/63/83/559206383.db2.gz JZTPHLKYRNOYGV-IRXDYDNUSA-N 1 3 362.470 2.185 20 0 FEADHO C[C@H](CCN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000415146983 559209083 /nfs/dbraw/zinc/20/90/83/559209083.db2.gz ZYHYTNUHCIWOIM-LSTHTHJFSA-N 1 3 356.514 2.400 20 0 FEADHO C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[C@H](c1ccccc1)N(C)C ZINC000415151049 559209324 /nfs/dbraw/zinc/20/93/24/559209324.db2.gz FCBCZAHQKQLZNX-QMTMVMCOSA-N 1 3 368.481 2.452 20 0 FEADHO Cc1cc(NC(=O)NCCCC[NH3+])n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000415320129 559224045 /nfs/dbraw/zinc/22/40/45/559224045.db2.gz UZNHKYFAFDXPFM-GOSISDBHSA-N 1 3 370.501 2.499 20 0 FEADHO C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000415362543 559227839 /nfs/dbraw/zinc/22/78/39/559227839.db2.gz VSLDAFBMCMQMSJ-FUHWJXTLSA-N 1 3 372.513 2.115 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415800887 559272564 /nfs/dbraw/zinc/27/25/64/559272564.db2.gz DVAFOCLPGBAPQW-NVXWUHKLSA-N 1 3 360.502 2.101 20 0 FEADHO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C[C@@]1(C)C[NH3+] ZINC000415870458 559280301 /nfs/dbraw/zinc/28/03/01/559280301.db2.gz SNLJQDXDIQOJCI-IIBYNOLFSA-N 1 3 372.513 2.054 20 0 FEADHO C[NH2+]Cc1cccc(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000415921384 559282539 /nfs/dbraw/zinc/28/25/39/559282539.db2.gz RFGGUBPGFARRON-OAQYLSRUSA-N 1 3 368.481 2.165 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416000396 559288493 /nfs/dbraw/zinc/28/84/93/559288493.db2.gz XYHWAEOUSSTMKX-GFCCVEGCSA-N 1 3 352.426 2.101 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCN1Cc1ccccc1 ZINC000416037520 559290384 /nfs/dbraw/zinc/29/03/84/559290384.db2.gz BTQHXGHJHBSVPN-SNPRPXQTSA-N 1 3 358.408 2.228 20 0 FEADHO C[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000416184691 559296989 /nfs/dbraw/zinc/29/69/89/559296989.db2.gz PWMSHTXEXOPILR-GIVPXCGWSA-N 1 3 372.557 2.164 20 0 FEADHO CS[C@H]1CN(C(=O)CCN2CCc3ccccc3C2)C[C@@H]1[NH+]1CCCC1 ZINC000416206034 559298105 /nfs/dbraw/zinc/29/81/05/559298105.db2.gz TUWZHUVTECVTNM-PMACEKPBSA-N 1 3 373.566 2.473 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416224879 559299607 /nfs/dbraw/zinc/29/96/07/559299607.db2.gz RIGUCCATYJLJTC-SFHVURJKSA-N 1 3 371.525 2.147 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416224879 559299608 /nfs/dbraw/zinc/29/96/08/559299608.db2.gz RIGUCCATYJLJTC-SFHVURJKSA-N 1 3 371.525 2.147 20 0 FEADHO CCN1CCN(CC(C)(C)NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416249271 559301130 /nfs/dbraw/zinc/30/11/30/559301130.db2.gz WTAAICLWEWPCDQ-IBGZPJMESA-N 1 3 360.546 2.212 20 0 FEADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000416790895 559332802 /nfs/dbraw/zinc/33/28/02/559332802.db2.gz HTKXMJUMXALXOQ-NRFANRHFSA-N 1 3 356.514 2.436 20 0 FEADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000416836947 559334493 /nfs/dbraw/zinc/33/44/93/559334493.db2.gz HBRHXKFNRDXSKR-PMACEKPBSA-N 1 3 356.514 2.292 20 0 FEADHO COc1cccc([C@H](CNC(=O)NC2CCC([NH3+])CC2)N2CCCC2)c1 ZINC000416861937 559335636 /nfs/dbraw/zinc/33/56/36/559335636.db2.gz XNRGGSKUVNCJEM-TVPLGVNVSA-N 1 3 360.502 2.401 20 0 FEADHO O=C(NCc1ccccc1CN1CCCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000416910865 559337703 /nfs/dbraw/zinc/33/77/03/559337703.db2.gz ZUXSLIFCXRIRRE-UYAOXDASSA-N 1 3 356.514 2.423 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H](C)NC[C@H]1C)c1cccc(OC)c1 ZINC000416922489 559338466 /nfs/dbraw/zinc/33/84/66/559338466.db2.gz MRLJSNXBFMPALK-GPMSIDNRSA-N 1 3 362.518 2.470 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(OC)c1 ZINC000416924084 559338592 /nfs/dbraw/zinc/33/85/92/559338592.db2.gz OLWNIHGYKGSJGQ-KFKAGJAMSA-N 1 3 362.518 2.375 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)N1CCNC(C)(C)C1)c1cccc(OC)c1 ZINC000416923232 559338736 /nfs/dbraw/zinc/33/87/36/559338736.db2.gz NQHYWLFTZQXZHL-GOSISDBHSA-N 1 3 362.518 2.472 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1cccc(OC)c1 ZINC000416926615 559338810 /nfs/dbraw/zinc/33/88/10/559338810.db2.gz ROTPFMBPIDFHAU-ATZDWAIDSA-N 1 3 362.518 2.457 20 0 FEADHO COC[C@@]1(CNC(=O)NC2CCN(Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000416983541 559342029 /nfs/dbraw/zinc/34/20/29/559342029.db2.gz XEFCGVXRRKNVIB-NRFANRHFSA-N 1 3 374.529 2.027 20 0 FEADHO [NH3+]CC[C@H]1CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000416985671 559342254 /nfs/dbraw/zinc/34/22/54/559342254.db2.gz YXEDBPAEORADOZ-LJQANCHMSA-N 1 3 358.530 2.464 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccsc1 ZINC000417011337 559343573 /nfs/dbraw/zinc/34/35/73/559343573.db2.gz RPRNAYAHSHQACH-HYVNUMGLSA-N 1 3 350.532 2.382 20 0 FEADHO [NH3+]C1CCC(NC(=O)NCCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000417150145 559350191 /nfs/dbraw/zinc/35/01/91/559350191.db2.gz JQKSDWYKVCRCSD-UHFFFAOYSA-N 1 3 373.545 2.158 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417197774 559352574 /nfs/dbraw/zinc/35/25/74/559352574.db2.gz QISKIJYVGMCUFA-PMACEKPBSA-N 1 3 358.530 2.333 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417203423 559352784 /nfs/dbraw/zinc/35/27/84/559352784.db2.gz YPNXPVFJMRVELL-UFYCRDLUSA-N 1 3 358.530 2.190 20 0 FEADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c2ccccc2)CC1 ZINC000417216488 559353499 /nfs/dbraw/zinc/35/34/99/559353499.db2.gz PHPCOJIDOUPQBI-AABGKKOBSA-N 1 3 356.514 2.463 20 0 FEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCNCc1cccnc1 ZINC000417256205 559355026 /nfs/dbraw/zinc/35/50/26/559355026.db2.gz RPQUTDGLSOXLGT-KSZLIROESA-N 1 3 361.534 2.227 20 0 FEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCNCc1cccnc1 ZINC000417256205 559355027 /nfs/dbraw/zinc/35/50/27/559355027.db2.gz RPQUTDGLSOXLGT-KSZLIROESA-N 1 3 361.534 2.227 20 0 FEADHO COCCNCCNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000417352432 559358869 /nfs/dbraw/zinc/35/88/69/559358869.db2.gz GCPJWRYHRQMLFU-UHFFFAOYSA-N 1 3 362.518 2.098 20 0 FEADHO C[NH2+]C[C@H]1CCCN1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000417385362 559360395 /nfs/dbraw/zinc/36/03/95/559360395.db2.gz RJHOHTMHSMTYOQ-MRXNPFEDSA-N 1 3 350.532 2.354 20 0 FEADHO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](CCN(C)CCOC)c2ccccc2)C1 ZINC000417499057 559364740 /nfs/dbraw/zinc/36/47/40/559364740.db2.gz DRVUHTURAXZMSA-MOPGFXCFSA-N 1 3 362.518 2.089 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N(C)C1CC[NH2+]CC1)c1ccccc1 ZINC000417514668 559365635 /nfs/dbraw/zinc/36/56/35/559365635.db2.gz JXOOSOGEWMHXGX-LJQANCHMSA-N 1 3 362.518 2.089 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000417516812 559365728 /nfs/dbraw/zinc/36/57/28/559365728.db2.gz ORNIYILHPABVRK-AOIWGVFYSA-N 1 3 362.518 2.075 20 0 FEADHO C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H](CCN(C)CCOC)c1ccccc1 ZINC000417520246 559365903 /nfs/dbraw/zinc/36/59/03/559365903.db2.gz WZWUJVVADKWARJ-MOPGFXCFSA-N 1 3 362.518 2.089 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417593227 559368614 /nfs/dbraw/zinc/36/86/14/559368614.db2.gz KHQVIKWBBXCHJJ-RTBURBONSA-N 1 3 374.529 2.478 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCCC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417625509 559369601 /nfs/dbraw/zinc/36/96/01/559369601.db2.gz MQCCDQNPJWWJGK-SJORKVTESA-N 1 3 366.575 2.274 20 0 FEADHO COc1cc(NC(=O)NCC[N@H+](C)C(C)C)ccc1OCCN(C)C ZINC000417659488 559370981 /nfs/dbraw/zinc/37/09/81/559370981.db2.gz YSSXLUOGNVHSDV-UHFFFAOYSA-N 1 3 352.479 2.097 20 0 FEADHO COc1cc(NC(=O)NCC[N@@H+](C)C(C)C)ccc1OCCN(C)C ZINC000417659488 559370982 /nfs/dbraw/zinc/37/09/82/559370982.db2.gz YSSXLUOGNVHSDV-UHFFFAOYSA-N 1 3 352.479 2.097 20 0 FEADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417680834 559372100 /nfs/dbraw/zinc/37/21/00/559372100.db2.gz JISUJRZLESRCGP-MOPGFXCFSA-N 1 3 358.530 2.496 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417822147 559377800 /nfs/dbraw/zinc/37/78/00/559377800.db2.gz JIGXXFZYJARJNB-AHRSYUTCSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)CCN1Cc1ccccc1 ZINC000417833502 559378353 /nfs/dbraw/zinc/37/83/53/559378353.db2.gz JLFMRDCHIXHRNL-BMFZPTHFSA-N 1 3 354.445 2.321 20 0 FEADHO CC(C)C[C@H](CNC(=O)N1CCOC2(CNC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417868938 559380181 /nfs/dbraw/zinc/38/01/81/559380181.db2.gz GYKKKAKKGMZVNF-PKOBYXMFSA-N 1 3 374.529 2.136 20 0 FEADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417975189 559384664 /nfs/dbraw/zinc/38/46/64/559384664.db2.gz DMGMHOMZKFVRDQ-ZWKOTPCHSA-N 1 3 374.529 2.096 20 0 FEADHO COC[C@]1(CNC(=O)NCCN2CCC3(CCCCC3)CC2)CCC[NH2+]1 ZINC000418155855 559392174 /nfs/dbraw/zinc/39/21/74/559392174.db2.gz ABUFZDZZWMESRZ-HXUWFJFHSA-N 1 3 366.550 2.101 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)N(C)C)cc1 ZINC000418193587 559393710 /nfs/dbraw/zinc/39/37/10/559393710.db2.gz DCKNLABGZRQQIZ-MDZRGWNJSA-N 1 3 362.518 2.455 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000418216233 559394271 /nfs/dbraw/zinc/39/42/71/559394271.db2.gz ZJRPTEFLLURSDR-QZTJIDSGSA-N 1 3 350.507 2.359 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)N(C)C)cc1 ZINC000418237074 559395106 /nfs/dbraw/zinc/39/51/06/559395106.db2.gz VKUIVKQPARDSGZ-KEYYUXOJSA-N 1 3 350.532 2.403 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CCN[C@H](C)[C@@H]2C)[NH+](C)C)cc1 ZINC000418237074 559395107 /nfs/dbraw/zinc/39/51/07/559395107.db2.gz VKUIVKQPARDSGZ-KEYYUXOJSA-N 1 3 350.532 2.403 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)N(C)C)cc1 ZINC000418236282 559395118 /nfs/dbraw/zinc/39/51/18/559395118.db2.gz UQJQFJRQXVAYKX-VBQJREDUSA-N 1 3 350.532 2.390 20 0 FEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000418242432 559395325 /nfs/dbraw/zinc/39/53/25/559395325.db2.gz VADOSGBGTRKPRU-KRWDZBQOSA-N 1 3 354.539 2.036 20 0 FEADHO CC[NH2+]CCNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000418324988 559397480 /nfs/dbraw/zinc/39/74/80/559397480.db2.gz LDKHXAAAYMIVIE-UHFFFAOYSA-N 1 3 360.424 2.388 20 0 FEADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000418342766 559398173 /nfs/dbraw/zinc/39/81/73/559398173.db2.gz NFAITWJFUJFSEW-HZPDHXFCSA-N 1 3 350.482 2.287 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418349284 559398740 /nfs/dbraw/zinc/39/87/40/559398740.db2.gz PKDNGMXDZJKJHW-MRXNPFEDSA-N 1 3 350.482 2.289 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000418354846 559398808 /nfs/dbraw/zinc/39/88/08/559398808.db2.gz WRFBBLUUACRNOM-WMZOPIPTSA-N 1 3 362.518 2.157 20 0 FEADHO CN(C(=O)N[C@H]1CCCC[C@H]1C[NH3+])C1CCN(CCc2ccccn2)CC1 ZINC000418409826 559400479 /nfs/dbraw/zinc/40/04/79/559400479.db2.gz NYKSDGMQQKTNEN-PXNSSMCTSA-N 1 3 373.545 2.247 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000418433280 559401384 /nfs/dbraw/zinc/40/13/84/559401384.db2.gz CVUQULTWRCQPKC-OALUTQOASA-N 1 3 361.534 2.451 20 0 FEADHO CCC([NH3+])(CC)CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000418433532 559401515 /nfs/dbraw/zinc/40/15/15/559401515.db2.gz DAMHQWIVZGMICU-UHFFFAOYSA-N 1 3 361.534 2.247 20 0 FEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418548171 559405639 /nfs/dbraw/zinc/40/56/39/559405639.db2.gz YZABDEXFYUIXHY-UHFFFAOYSA-N 1 3 350.894 2.333 20 0 FEADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418588035 559407145 /nfs/dbraw/zinc/40/71/45/559407145.db2.gz HMROVYCFJUQKFC-GUYCJALGSA-N 1 3 354.445 2.036 20 0 FEADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418596397 559407394 /nfs/dbraw/zinc/40/73/94/559407394.db2.gz OXNWRXNXFSBISE-GUYCJALGSA-N 1 3 354.445 2.036 20 0 FEADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000418658103 559410073 /nfs/dbraw/zinc/41/00/73/559410073.db2.gz VJVUFFUURJORNB-OXJNMPFZSA-N 1 3 374.529 2.144 20 0 FEADHO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000418662944 559410310 /nfs/dbraw/zinc/41/03/10/559410310.db2.gz VPVLLTTTXUZQDK-VQTJNVASSA-N 1 3 356.514 2.292 20 0 FEADHO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCC[C@H]1CN1CCCCC1 ZINC000418691765 559411469 /nfs/dbraw/zinc/41/14/69/559411469.db2.gz ZAXNUZGDPGJQLO-SLFFLAALSA-N 1 3 356.514 2.402 20 0 FEADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000418775441 559415496 /nfs/dbraw/zinc/41/54/96/559415496.db2.gz WLMKGLMQEVSOEM-MRXNPFEDSA-N 1 3 358.477 2.281 20 0 FEADHO CN(C)C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1 ZINC000418774860 559415500 /nfs/dbraw/zinc/41/55/00/559415500.db2.gz WBJVGVUYJZQRPX-UONOGXRCSA-N 1 3 360.836 2.239 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418789304 559416129 /nfs/dbraw/zinc/41/61/29/559416129.db2.gz KUNYEHZUWKNHFU-IXDOHACOSA-N 1 3 350.532 2.209 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418795595 559416479 /nfs/dbraw/zinc/41/64/79/559416479.db2.gz QQYWFEPXSARBAH-YQVWRLOYSA-N 1 3 362.493 2.287 20 0 FEADHO Brc1ccc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000420310185 559479695 /nfs/dbraw/zinc/47/96/95/559479695.db2.gz FOCKZNHVTAGRAL-AWEZNQCLSA-N 1 3 353.308 2.356 20 0 FEADHO FC(F)(F)c1cccc(OCCCN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346188 559482020 /nfs/dbraw/zinc/48/20/20/559482020.db2.gz CJLBNMIXZUZEHQ-INIZCTEOSA-N 1 3 357.420 2.454 20 0 FEADHO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420347389 559482420 /nfs/dbraw/zinc/48/24/20/559482420.db2.gz YNCIZDQUYBPPFJ-CWRNSKLLSA-N 1 3 351.441 2.416 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N3[C@H](C)CCC[C@H]3C)CC2)CC1 ZINC000421013432 559519494 /nfs/dbraw/zinc/51/94/94/559519494.db2.gz QZEAXBLLGIAVDI-RTBURBONSA-N 1 3 364.578 2.268 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)N3[C@H](C)CCC[C@H]3C)CC2)CC1 ZINC000421013432 559519495 /nfs/dbraw/zinc/51/94/95/559519495.db2.gz QZEAXBLLGIAVDI-RTBURBONSA-N 1 3 364.578 2.268 20 0 FEADHO CC[C@@H]1C[C@H](NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)CCO1 ZINC000422242233 559572948 /nfs/dbraw/zinc/57/29/48/559572948.db2.gz UAVZCCFUTZXPHU-FGTMMUONSA-N 1 3 354.539 2.002 20 0 FEADHO CC[C@@H]1C[C@H](NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)CCO1 ZINC000422242233 559572949 /nfs/dbraw/zinc/57/29/49/559572949.db2.gz UAVZCCFUTZXPHU-FGTMMUONSA-N 1 3 354.539 2.002 20 0 FEADHO CN(C[C@@H]1CCCN1C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000422606519 559597346 /nfs/dbraw/zinc/59/73/46/559597346.db2.gz JCDAMAYLGKDYRF-HDMKZQKVSA-N 1 3 366.456 2.146 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422739430 559605023 /nfs/dbraw/zinc/60/50/23/559605023.db2.gz LGKNQMQCUSJDHP-QAPCUYQASA-N 1 3 353.532 2.122 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422739431 559605025 /nfs/dbraw/zinc/60/50/25/559605025.db2.gz LGKNQMQCUSJDHP-YJBOKZPZSA-N 1 3 353.532 2.122 20 0 FEADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000422767430 559605979 /nfs/dbraw/zinc/60/59/79/559605979.db2.gz MZYGGZGCUXXSRR-AEFFLSMTSA-N 1 3 351.516 2.078 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2ccnc(N3CCCC3)c2)CC[NH2+]CC1 ZINC000422820801 559607599 /nfs/dbraw/zinc/60/75/99/559607599.db2.gz SHBFEBNIJNCYDJ-MRXNPFEDSA-N 1 3 360.502 2.093 20 0 FEADHO c1ccc(-c2ccc(NCCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)nn2)cc1 ZINC000422855658 559608581 /nfs/dbraw/zinc/60/85/81/559608581.db2.gz CXNUEZQVFORHFA-RLLQIKCJSA-N 1 3 351.498 3.066 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2cccc(N3CCCC3=O)c2)CC[NH2+]CC1 ZINC000422862346 559608851 /nfs/dbraw/zinc/60/88/51/559608851.db2.gz NPJAXTPJVSOFMJ-INIZCTEOSA-N 1 3 373.497 2.224 20 0 FEADHO CCOc1ccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)CCOCC2)cc1 ZINC000422880146 559609721 /nfs/dbraw/zinc/60/97/21/559609721.db2.gz NIPHDVAUVGDPNG-NSISKUIASA-N 1 3 362.514 2.475 20 0 FEADHO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000422889648 559609987 /nfs/dbraw/zinc/60/99/87/559609987.db2.gz QAUZKFWRNNOIOJ-KRFUXDQASA-N 1 3 359.514 2.026 20 0 FEADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000422904724 559610629 /nfs/dbraw/zinc/61/06/29/559610629.db2.gz QMULFSQXBHVNLH-HLRQEUIKSA-N 1 3 373.541 2.154 20 0 FEADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])C1 ZINC000422911499 559610877 /nfs/dbraw/zinc/61/08/77/559610877.db2.gz TXGHRHNFONIIMA-ARLBYUKCSA-N 1 3 353.894 2.269 20 0 FEADHO O=C1NC2(CCCC2)C(=O)N1CCCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423066198 559617274 /nfs/dbraw/zinc/61/72/74/559617274.db2.gz WJOZQSDBWZDEFQ-BRWVUGGUSA-N 1 3 362.518 2.142 20 0 FEADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cccc(Br)c1 ZINC000423075158 559617477 /nfs/dbraw/zinc/61/74/77/559617477.db2.gz NXOGIWKTDIDSDP-KTFSGNIMSA-N 1 3 353.304 2.473 20 0 FEADHO CN(C)CCOc1cccc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c1 ZINC000423342681 559625948 /nfs/dbraw/zinc/62/59/48/559625948.db2.gz VJFJMJKNVYJFIV-QGZVFWFLSA-N 1 3 357.458 2.000 20 0 FEADHO N[C@@H](CC1CCCCC1)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000423428297 559628834 /nfs/dbraw/zinc/62/88/34/559628834.db2.gz OIPLIMHLOSILPY-SFHVURJKSA-N 1 3 351.535 2.435 20 0 FEADHO CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000423437476 559629153 /nfs/dbraw/zinc/62/91/53/559629153.db2.gz MGLRRFLBNXZDEG-LJQANCHMSA-N 1 3 359.514 2.038 20 0 FEADHO CN(C)CCN(CC1CCCCC1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000423755733 559638393 /nfs/dbraw/zinc/63/83/93/559638393.db2.gz FTLGMKPOGISUPG-SFHVURJKSA-N 1 3 361.534 2.392 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000423838464 559641969 /nfs/dbraw/zinc/64/19/69/559641969.db2.gz CGDBLZVHBCJEAW-OXJNMPFZSA-N 1 3 352.482 2.466 20 0 FEADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000423904967 559644773 /nfs/dbraw/zinc/64/47/73/559644773.db2.gz YJNWSYXYVVDHJJ-OALUTQOASA-N 1 3 357.498 2.338 20 0 FEADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H](N)C2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000423905858 559644908 /nfs/dbraw/zinc/64/49/08/559644908.db2.gz PSAQIKHNCCYUOT-KPFFTGBYSA-N 1 3 359.514 2.157 20 0 FEADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H](N)C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000423905858 559644909 /nfs/dbraw/zinc/64/49/09/559644909.db2.gz PSAQIKHNCCYUOT-KPFFTGBYSA-N 1 3 359.514 2.157 20 0 FEADHO [NH3+]C[C@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000423937893 559646943 /nfs/dbraw/zinc/64/69/43/559646943.db2.gz GZCDMWSPFJMXSY-FQEVSTJZSA-N 1 3 358.530 2.223 20 0 FEADHO C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000424335184 559661571 /nfs/dbraw/zinc/66/15/71/559661571.db2.gz OWHMSUZDPLFQRM-NSISKUIASA-N 1 3 358.530 2.015 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(CCN(C)C)Cc2ccsc2)c1 ZINC000424445339 559665278 /nfs/dbraw/zinc/66/52/78/559665278.db2.gz FXBCWAQGIVTOPD-UHFFFAOYSA-N 1 3 374.510 2.044 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000426617174 559739006 /nfs/dbraw/zinc/73/90/06/559739006.db2.gz DLKNCKRVLVHJNZ-ZWKOTPCHSA-N 1 3 366.550 2.146 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000426617174 559739007 /nfs/dbraw/zinc/73/90/07/559739007.db2.gz DLKNCKRVLVHJNZ-ZWKOTPCHSA-N 1 3 366.550 2.146 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000428971270 559786965 /nfs/dbraw/zinc/78/69/65/559786965.db2.gz VVOITVYSYYUETK-UTKZUKDTSA-N 1 3 361.530 2.249 20 0 FEADHO COc1cc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@H](C)N)cc(OC)c1OC ZINC000430633057 559825311 /nfs/dbraw/zinc/82/53/11/559825311.db2.gz OXWCMINREKHRIQ-ZFWWWQNUSA-N 1 3 365.474 2.243 20 0 FEADHO COc1cc(NC(=O)CC[N@H+]2CCCC[C@H]2[C@H](C)N)cc(OC)c1OC ZINC000430633057 559825312 /nfs/dbraw/zinc/82/53/12/559825312.db2.gz OXWCMINREKHRIQ-ZFWWWQNUSA-N 1 3 365.474 2.243 20 0 FEADHO COCC[C@]1(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC[NH2+]C1 ZINC000430809629 559828569 /nfs/dbraw/zinc/82/85/69/559828569.db2.gz IELWFPZNVMUZJI-VDZJLULYSA-N 1 3 365.543 2.263 20 0 FEADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCC(OCc3ccccc3)CC2)CC1 ZINC000430946502 559831034 /nfs/dbraw/zinc/83/10/34/559831034.db2.gz WNOAPJQFHYMMGB-QGZVFWFLSA-N 1 3 359.514 2.253 20 0 FEADHO C[C@@H](NC(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccc2c(c1)OCCO2 ZINC000431014806 559832436 /nfs/dbraw/zinc/83/24/36/559832436.db2.gz POICSBUTVOCZAM-HZPDHXFCSA-N 1 3 373.497 2.099 20 0 FEADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000431023195 559832596 /nfs/dbraw/zinc/83/25/96/559832596.db2.gz GWWWHNGKLRRJMU-IFMALSPDSA-N 1 3 373.541 2.373 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]CCCN2CCCO[C@@H](C)C2)[C@@H](C)C1 ZINC000432421162 559858338 /nfs/dbraw/zinc/85/83/38/559858338.db2.gz OEGGYBWVKPPLHW-UFYCRDLUSA-N 1 3 355.567 2.214 20 0 FEADHO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000433104497 559871933 /nfs/dbraw/zinc/87/19/33/559871933.db2.gz XMMFDKMYJWCZNN-GOSISDBHSA-N 1 3 365.543 2.387 20 0 FEADHO Cc1nccn1-c1ccc(CNC(=O)CCCN2CCC([NH3+])CC2)cc1F ZINC000433128498 559872570 /nfs/dbraw/zinc/87/25/70/559872570.db2.gz WXHGNBISODFFDU-UHFFFAOYSA-N 1 3 373.476 2.139 20 0 FEADHO C[NH+](C)CCCOC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000434356303 559898598 /nfs/dbraw/zinc/89/85/98/559898598.db2.gz VMLBWLKTZZGECV-SFHVURJKSA-N 1 3 366.550 2.146 20 0 FEADHO CC[NH2+]CC1CCN(Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000435369898 559921521 /nfs/dbraw/zinc/92/15/21/559921521.db2.gz GOHPILPDUALDHY-UHFFFAOYSA-N 1 3 359.514 2.413 20 0 FEADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)C1(C)C ZINC000444193208 560105038 /nfs/dbraw/zinc/10/50/38/560105038.db2.gz ZYMVOUHEKKRNAA-KNKQGSTJSA-N 1 3 373.541 2.472 20 0 FEADHO CCOc1cc(CNCCN2CCC([NH+](C)C)CC2)c(F)cc1OC ZINC000527670114 562299514 /nfs/dbraw/zinc/29/95/14/562299514.db2.gz MNWADVKFPUBGIT-UHFFFAOYSA-N 1 3 353.482 2.349 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000446290012 560143824 /nfs/dbraw/zinc/14/38/24/560143824.db2.gz UJIJRHYKPNWWJL-KNKQGSTJSA-N 1 3 371.525 2.431 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446364851 560144855 /nfs/dbraw/zinc/14/48/55/560144855.db2.gz VBAFXHSSJJPTLO-BBTUJRGHSA-N 1 3 365.562 2.393 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCSCC2 ZINC000448851986 560202783 /nfs/dbraw/zinc/20/27/83/560202783.db2.gz GVCAXLYXUBVNAS-IRXDYDNUSA-N 1 3 353.576 2.394 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCSCC2 ZINC000448851986 560202784 /nfs/dbraw/zinc/20/27/84/560202784.db2.gz GVCAXLYXUBVNAS-IRXDYDNUSA-N 1 3 353.576 2.394 20 0 FEADHO CN(C)CCOc1cccc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000449320846 560225180 /nfs/dbraw/zinc/22/51/80/560225180.db2.gz KFAGAWJVEYSVCI-NRFANRHFSA-N 1 3 353.466 2.497 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000451425988 560306366 /nfs/dbraw/zinc/30/63/66/560306366.db2.gz VLSQVNUBVNKHET-NMLBUPMWSA-N 1 3 359.514 2.031 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000451425988 560306367 /nfs/dbraw/zinc/30/63/67/560306367.db2.gz VLSQVNUBVNKHET-NMLBUPMWSA-N 1 3 359.514 2.031 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CC[C@H](CCCO)C2)CC1 ZINC000452114150 560352114 /nfs/dbraw/zinc/35/21/14/560352114.db2.gz AHOPBZPDVZWCEA-FQEVSTJZSA-N 1 3 373.541 2.124 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CC[C@H](CCCO)C2)CC1 ZINC000452114150 560352115 /nfs/dbraw/zinc/35/21/15/560352115.db2.gz AHOPBZPDVZWCEA-FQEVSTJZSA-N 1 3 373.541 2.124 20 0 FEADHO COC1([C@@H](C)[NH2+]Cc2ccccc2CN2CCC(O)CC2)CCOCC1 ZINC000453141737 560383789 /nfs/dbraw/zinc/38/37/89/560383789.db2.gz SSLWFOWEHKXDDF-QGZVFWFLSA-N 1 3 362.514 2.317 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)NC[C@H](C)[NH+](C)C)c1cccc(OC)c1 ZINC000454226035 560435465 /nfs/dbraw/zinc/43/54/65/560435465.db2.gz RTUJKIZXXJITDP-YJBOKZPZSA-N 1 3 350.507 2.327 20 0 FEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccnn1CCN(C)C ZINC000455671808 560491211 /nfs/dbraw/zinc/49/12/11/560491211.db2.gz UNCNPEFBJPRQSU-INIZCTEOSA-N 1 3 350.511 2.221 20 0 FEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccnn1CCN(C)C ZINC000455671808 560491212 /nfs/dbraw/zinc/49/12/12/560491212.db2.gz UNCNPEFBJPRQSU-INIZCTEOSA-N 1 3 350.511 2.221 20 0 FEADHO CCC(CC)[C@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)[NH+]1CCCC1 ZINC000457612223 560577766 /nfs/dbraw/zinc/57/77/66/560577766.db2.gz LDSXASFPZBNGGW-OALUTQOASA-N 1 3 368.566 2.033 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459066936 560664986 /nfs/dbraw/zinc/66/49/86/560664986.db2.gz VMMPGZQVNABTBQ-ALOPSCKCSA-N 1 3 350.532 2.447 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459066936 560664987 /nfs/dbraw/zinc/66/49/87/560664987.db2.gz VMMPGZQVNABTBQ-ALOPSCKCSA-N 1 3 350.532 2.447 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)[C@@H]1SC ZINC000459418245 560685389 /nfs/dbraw/zinc/68/53/89/560685389.db2.gz IQXSBBCTNHMQNH-KSZLIROESA-N 1 3 355.592 2.435 20 0 FEADHO CC[C@@H]1OCC[C@H]1NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000459780804 560707903 /nfs/dbraw/zinc/70/79/03/560707903.db2.gz RXKNAZBZAURNJV-UXHICEINSA-N 1 3 359.514 2.233 20 0 FEADHO C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000461092733 560761308 /nfs/dbraw/zinc/76/13/08/560761308.db2.gz QSKPYUVXONEOOD-OXJNMPFZSA-N 1 3 350.503 2.455 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000461885023 560786355 /nfs/dbraw/zinc/78/63/55/560786355.db2.gz RQAVMCARORAXFR-KDURUIRLSA-N 1 3 372.557 2.313 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000461885023 560786357 /nfs/dbraw/zinc/78/63/57/560786357.db2.gz RQAVMCARORAXFR-KDURUIRLSA-N 1 3 372.557 2.313 20 0 FEADHO COCCC[N@H+](C)CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000465749666 560872184 /nfs/dbraw/zinc/87/21/84/560872184.db2.gz IXAJDDSOGZPFHL-MJGOQNOKSA-N 1 3 362.518 2.089 20 0 FEADHO COCCC[N@@H+](C)CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000465749666 560872185 /nfs/dbraw/zinc/87/21/85/560872185.db2.gz IXAJDDSOGZPFHL-MJGOQNOKSA-N 1 3 362.518 2.089 20 0 FEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000465897326 560875624 /nfs/dbraw/zinc/87/56/24/560875624.db2.gz CWVDFNPSLWSPTF-KURKYZTESA-N 1 3 354.539 2.002 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)Cc2ccccc2C1 ZINC000466009604 560878101 /nfs/dbraw/zinc/87/81/01/560878101.db2.gz JUGVGMHKTQZBPU-HXUWFJFHSA-N 1 3 370.541 2.355 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)cc2)CC1 ZINC000467715062 560915594 /nfs/dbraw/zinc/91/55/94/560915594.db2.gz LFJWDIIITMFTQK-UZLBHIALSA-N 1 3 356.514 2.041 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)cc2)CC1 ZINC000467715062 560915595 /nfs/dbraw/zinc/91/55/95/560915595.db2.gz LFJWDIIITMFTQK-UZLBHIALSA-N 1 3 356.514 2.041 20 0 FEADHO CCCOc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OCC ZINC000470003880 560971750 /nfs/dbraw/zinc/97/17/50/560971750.db2.gz ODNBFTGNPXRCSA-KRWDZBQOSA-N 1 3 363.502 2.161 20 0 FEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCCOCC[NH+](C)C)CC1 ZINC000471632328 561009241 /nfs/dbraw/zinc/00/92/41/561009241.db2.gz BKLOKCZLMCQGFB-QGZVFWFLSA-N 1 3 362.518 2.089 20 0 FEADHO CCC[N@H+](CC)CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000472949926 561038573 /nfs/dbraw/zinc/03/85/73/561038573.db2.gz LDHLIJHUIOVREP-UHFFFAOYSA-N 1 3 356.580 2.379 20 0 FEADHO CCC[N@@H+](CC)CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000472949926 561038574 /nfs/dbraw/zinc/03/85/74/561038574.db2.gz LDHLIJHUIOVREP-UHFFFAOYSA-N 1 3 356.580 2.379 20 0 FEADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000472987456 561039613 /nfs/dbraw/zinc/03/96/13/561039613.db2.gz YEVMWBBKQBJBNV-OALUTQOASA-N 1 3 368.566 2.393 20 0 FEADHO CCN(C(=O)N[C@H]1CCN(CCOC)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475185850 561092486 /nfs/dbraw/zinc/09/24/86/561092486.db2.gz YSXDWMPNTFNLIM-VQTJNVASSA-N 1 3 374.529 2.013 20 0 FEADHO CCN(C(=O)N[C@H]1CCN(CCOC)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475185850 561092487 /nfs/dbraw/zinc/09/24/87/561092487.db2.gz YSXDWMPNTFNLIM-VQTJNVASSA-N 1 3 374.529 2.013 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCC[C@H](OC)C1 ZINC000475449211 561097413 /nfs/dbraw/zinc/09/74/13/561097413.db2.gz BXQDCCIXVJEOAF-OTWHNJEPSA-N 1 3 353.551 2.456 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCC[C@H](OC)C1 ZINC000475449211 561097414 /nfs/dbraw/zinc/09/74/14/561097414.db2.gz BXQDCCIXVJEOAF-OTWHNJEPSA-N 1 3 353.551 2.456 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1nn(C)c2ccccc21 ZINC000528333636 562322994 /nfs/dbraw/zinc/32/29/94/562322994.db2.gz BLMPRXYUNJXSIU-MRXNPFEDSA-N 1 3 357.502 2.061 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1nn(C)c2ccccc21 ZINC000528333636 562322995 /nfs/dbraw/zinc/32/29/95/562322995.db2.gz BLMPRXYUNJXSIU-MRXNPFEDSA-N 1 3 357.502 2.061 20 0 FEADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240168 562403677 /nfs/dbraw/zinc/40/36/77/562403677.db2.gz YUQSKDWKROJCOY-XLIONFOSSA-N 1 3 359.514 2.124 20 0 FEADHO C[NH+](C)[C@H](CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000531049418 562433115 /nfs/dbraw/zinc/43/31/15/562433115.db2.gz DGKCGGQUSCRUEK-IFMALSPDSA-N 1 3 373.541 2.250 20 0 FEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)CC[C@@H]21 ZINC000532527231 562480370 /nfs/dbraw/zinc/48/03/70/562480370.db2.gz HVPIYGDERFXXSJ-AABGKKOBSA-N 1 3 356.514 2.236 20 0 FEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)CC[C@@H]21 ZINC000532527231 562480371 /nfs/dbraw/zinc/48/03/71/562480371.db2.gz HVPIYGDERFXXSJ-AABGKKOBSA-N 1 3 356.514 2.236 20 0 FEADHO O=C(NCCNc1ccncc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000534524529 562535887 /nfs/dbraw/zinc/53/58/87/562535887.db2.gz HOILEUMMPBNASJ-UHFFFAOYSA-N 1 3 367.497 2.401 20 0 FEADHO C(N1CCC[C@@H]2COCC[C@H]21)C1(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)COC1 ZINC000541070484 562602056 /nfs/dbraw/zinc/60/20/56/562602056.db2.gz IVOJUPXTTREOJF-WTGUMLROSA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CCC[C@@H]2COCC[C@H]21)C1(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)COC1 ZINC000541070484 562602057 /nfs/dbraw/zinc/60/20/57/562602057.db2.gz IVOJUPXTTREOJF-WTGUMLROSA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CCC[C@@H]2COCC[C@@H]21)C1(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)COC1 ZINC000541070484 562602058 /nfs/dbraw/zinc/60/20/58/562602058.db2.gz IVOJUPXTTREOJF-WTGUMLROSA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CCC[C@@H]2COCC[C@@H]21)C1(C[N@H+]2CCC[C@@H]3COCC[C@H]32)COC1 ZINC000541070484 562602059 /nfs/dbraw/zinc/60/20/59/562602059.db2.gz IVOJUPXTTREOJF-WTGUMLROSA-N 1 3 364.530 2.005 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000549807853 562640030 /nfs/dbraw/zinc/64/00/30/562640030.db2.gz OFJKUWVRPHJPAJ-XLIONFOSSA-N 1 3 359.514 2.134 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000549807853 562640031 /nfs/dbraw/zinc/64/00/31/562640031.db2.gz OFJKUWVRPHJPAJ-XLIONFOSSA-N 1 3 359.514 2.134 20 0 FEADHO CN1CCC[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000601894041 567875425 /nfs/dbraw/zinc/87/54/25/567875425.db2.gz HQHJNLFEEHFVCU-INIZCTEOSA-N 1 3 354.564 2.132 20 0 FEADHO CCOC(=O)c1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)[nH]1 ZINC000602499784 567983851 /nfs/dbraw/zinc/98/38/51/567983851.db2.gz MLXKEOQRJZUANS-UHFFFAOYSA-N 1 3 371.481 2.438 20 0 FEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000636729720 567984251 /nfs/dbraw/zinc/98/42/51/567984251.db2.gz CLNAAFKKMHWKQG-MRXNPFEDSA-N 1 3 362.522 2.392 20 0 FEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000636729720 567984252 /nfs/dbraw/zinc/98/42/52/567984252.db2.gz CLNAAFKKMHWKQG-MRXNPFEDSA-N 1 3 362.522 2.392 20 0 FEADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000604185674 568222639 /nfs/dbraw/zinc/22/26/39/568222639.db2.gz SXTSMRWKOUGSLV-CVEARBPZSA-N 1 3 362.543 2.496 20 0 FEADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000604185674 568222640 /nfs/dbraw/zinc/22/26/40/568222640.db2.gz SXTSMRWKOUGSLV-CVEARBPZSA-N 1 3 362.543 2.496 20 0 FEADHO O=C(NCCNc1cc[nH+]cc1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604203633 568227924 /nfs/dbraw/zinc/22/79/24/568227924.db2.gz ADEUSNSIKSZQFE-FQEVSTJZSA-N 1 3 367.497 2.442 20 0 FEADHO CN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)Cc3ccc(F)cc3)cc2)CC1 ZINC000570955778 568239327 /nfs/dbraw/zinc/23/93/27/568239327.db2.gz HDNISCWQIAGICI-QFIPXVFZSA-N 1 3 371.500 2.266 20 0 FEADHO COC(=O)C[C@@H]1CCCCN1C/C=C/C[N@@H+]1CCCC[C@H]1CC(=O)OC ZINC000604304931 568247187 /nfs/dbraw/zinc/24/71/87/568247187.db2.gz MOISGSNOHHVNCM-VUOWKATKSA-N 1 3 366.502 2.378 20 0 FEADHO COC(=O)C[C@@H]1CCCCN1C/C=C/C[N@H+]1CCCC[C@H]1CC(=O)OC ZINC000604304931 568247188 /nfs/dbraw/zinc/24/71/88/568247188.db2.gz MOISGSNOHHVNCM-VUOWKATKSA-N 1 3 366.502 2.378 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000736265691 599484216 /nfs/dbraw/zinc/48/42/16/599484216.db2.gz LFBSTEPMULOTGQ-OAHLLOKOSA-N 1 3 368.489 2.116 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000736265691 599484217 /nfs/dbraw/zinc/48/42/17/599484217.db2.gz LFBSTEPMULOTGQ-OAHLLOKOSA-N 1 3 368.489 2.116 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1 ZINC000736265691 599484219 /nfs/dbraw/zinc/48/42/19/599484219.db2.gz LFBSTEPMULOTGQ-OAHLLOKOSA-N 1 3 368.489 2.116 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1 ZINC000736265691 599484221 /nfs/dbraw/zinc/48/42/21/599484221.db2.gz LFBSTEPMULOTGQ-OAHLLOKOSA-N 1 3 368.489 2.116 20 0 FEADHO CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821062137 606886757 /nfs/dbraw/zinc/88/67/57/606886757.db2.gz UNFYMWNTSOHMDS-LJQANCHMSA-N 1 3 372.517 2.344 20 0 FEADHO CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821062137 606886758 /nfs/dbraw/zinc/88/67/58/606886758.db2.gz UNFYMWNTSOHMDS-LJQANCHMSA-N 1 3 372.517 2.344 20 0 FEADHO CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821062137 606886760 /nfs/dbraw/zinc/88/67/60/606886760.db2.gz UNFYMWNTSOHMDS-LJQANCHMSA-N 1 3 372.517 2.344 20 0 FEADHO CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821062137 606886762 /nfs/dbraw/zinc/88/67/62/606886762.db2.gz UNFYMWNTSOHMDS-LJQANCHMSA-N 1 3 372.517 2.344 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000561281090 674653412 /nfs/dbraw/zinc/65/34/12/674653412.db2.gz WYBKODYREFGVHO-AITUJVMLSA-N 1 3 351.535 2.384 20 0 FEADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](O)COc1ccccc1Br ZINC000562960254 674827655 /nfs/dbraw/zinc/82/76/55/674827655.db2.gz MHUPXNWJSIIQPO-UMVBOHGHSA-N 1 3 357.292 2.167 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3C[C@H](C)O[C@H]3C)CC2)CC1 ZINC000565210287 675102815 /nfs/dbraw/zinc/10/28/15/675102815.db2.gz VZUMTSOZDOPQIM-BQFCYCMXSA-N 1 3 351.535 2.112 20 0 FEADHO CC[NH+](CC)[C@@H](CNC(=S)NC1CCN(C)CC1)Cc1ccccc1 ZINC000063149087 670404517 /nfs/dbraw/zinc/40/45/17/670404517.db2.gz YMXWHGUXJNCYIU-LJQANCHMSA-N 1 3 362.587 2.498 20 0 FEADHO CCc1cccc(OC[C@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000565770474 675150076 /nfs/dbraw/zinc/15/00/76/675150076.db2.gz VPZXBUADNXVNRB-PKOBYXMFSA-N 1 3 350.503 2.079 20 0 FEADHO CCc1cccc(OC[C@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000565770474 675150079 /nfs/dbraw/zinc/15/00/79/675150079.db2.gz VPZXBUADNXVNRB-PKOBYXMFSA-N 1 3 350.503 2.079 20 0 FEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000574199495 671213732 /nfs/dbraw/zinc/21/37/32/671213732.db2.gz FPRVPGGPDDUTNC-FPAYPSAMSA-N 1 3 351.535 2.112 20 0 FEADHO COc1cc([C@H](C)NCC2=CC[NH2+]CC2)ccc1S(=O)(=O)C(F)F ZINC000817967746 675188294 /nfs/dbraw/zinc/18/82/94/675188294.db2.gz LWAABWZCAUBEOL-NSHDSACASA-N 1 3 360.426 2.262 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(c3cccc(F)c3F)CC2)C1 ZINC000576804907 671395703 /nfs/dbraw/zinc/39/57/03/671395703.db2.gz DGLPNHSBPIZKTD-AWEZNQCLSA-N 1 3 351.441 2.342 20 0 FEADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)CC(F)(F)F)CC1 ZINC000577365199 671590772 /nfs/dbraw/zinc/59/07/72/671590772.db2.gz RGELMOLGHGVBEH-KRWDZBQOSA-N 1 3 359.436 2.227 20 0 FEADHO COCC[N@H+](C)C[C@@H](O)CN1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000579969235 671773947 /nfs/dbraw/zinc/77/39/47/671773947.db2.gz DRUUFPNRDCRMCY-LJQANCHMSA-N 1 3 356.457 2.158 20 0 FEADHO COCC[N@@H+](C)C[C@@H](O)CN1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000579969235 671773949 /nfs/dbraw/zinc/77/39/49/671773949.db2.gz DRUUFPNRDCRMCY-LJQANCHMSA-N 1 3 356.457 2.158 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000580297120 671795846 /nfs/dbraw/zinc/79/58/46/671795846.db2.gz MVVSEBJGBKDSAG-CRAIPNDOSA-N 1 3 362.543 2.397 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)COc2ccc(Cl)cc2)CCCO1 ZINC000582900449 672044799 /nfs/dbraw/zinc/04/47/99/672044799.db2.gz OGJJKQZURKVDOF-NVXWUHKLSA-N 1 3 356.894 2.170 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccc(Cl)cc2)CCCO1 ZINC000582900449 672044801 /nfs/dbraw/zinc/04/48/01/672044801.db2.gz OGJJKQZURKVDOF-NVXWUHKLSA-N 1 3 356.894 2.170 20 0 FEADHO CC(C)CN1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261812481 672903610 /nfs/dbraw/zinc/90/36/10/672903610.db2.gz RZJYVZNIOIBKGY-KRWDZBQOSA-N 1 3 368.319 2.423 20 0 FEADHO CC(C)(C)OC(=O)NC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000700313773 673056113 /nfs/dbraw/zinc/05/61/13/673056113.db2.gz PNZKBVCYMPNPCY-JKSUJKDBSA-N 1 3 353.507 2.277 20 0 FEADHO CC(C)(C)OC(=O)NC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000700313773 673056114 /nfs/dbraw/zinc/05/61/14/673056114.db2.gz PNZKBVCYMPNPCY-JKSUJKDBSA-N 1 3 353.507 2.277 20 0 FEADHO CN1CCN(CC[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1(C)C ZINC000463251713 673303972 /nfs/dbraw/zinc/30/39/72/673303972.db2.gz YFUAYRHIRHYCNI-UHFFFAOYSA-N 1 3 350.473 2.019 20 0 FEADHO CN(CCC[NH+]1CCCC1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000539702541 673501872 /nfs/dbraw/zinc/50/18/72/673501872.db2.gz LOIJEPRMFNGBPG-UHFFFAOYSA-N 1 3 368.591 2.475 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCO[C@H](C)C3)CC2)CC1 ZINC000566450481 675214977 /nfs/dbraw/zinc/21/49/77/675214977.db2.gz GXUBBBQNYRRFTN-SJORKVTESA-N 1 3 351.535 2.114 20 0 FEADHO C[N@H+](C[C@@H](O)CNCC1(NC(=O)OC(C)(C)C)CCCCC1)C1CC1 ZINC000818992598 675250822 /nfs/dbraw/zinc/25/08/22/675250822.db2.gz RGANHQXTDOQAHH-INIZCTEOSA-N 1 3 355.523 2.259 20 0 FEADHO C[N@@H+](C[C@@H](O)CNCC1(NC(=O)OC(C)(C)C)CCCCC1)C1CC1 ZINC000818992598 675250823 /nfs/dbraw/zinc/25/08/23/675250823.db2.gz RGANHQXTDOQAHH-INIZCTEOSA-N 1 3 355.523 2.259 20 0 FEADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1F ZINC000819175086 675266308 /nfs/dbraw/zinc/26/63/08/675266308.db2.gz UDAYEUNMJAOFHI-CEXWTWQISA-N 1 3 354.441 2.356 20 0 FEADHO O=C1CC[C@@H](NCc2cc(Cl)cc3c2OCC3)[C@H](C2CC[NH2+]CC2)N1 ZINC000568962691 675413268 /nfs/dbraw/zinc/41/32/68/675413268.db2.gz KTCZDUIJXFRTDQ-AEFFLSMTSA-N 1 3 363.889 2.011 20 0 FEADHO CC[N@@H+]1CC[C@H](NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)[C@@H](C)C1 ZINC000825163819 675639389 /nfs/dbraw/zinc/63/93/89/675639389.db2.gz QYOAUGSULPIYBM-ULQDDVLXSA-N 1 3 355.523 2.332 20 0 FEADHO CC[N@H+]1CC[C@H](NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)[C@@H](C)C1 ZINC000825163819 675639390 /nfs/dbraw/zinc/63/93/90/675639390.db2.gz QYOAUGSULPIYBM-ULQDDVLXSA-N 1 3 355.523 2.332 20 0 FEADHO CCn1cc(Br)cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504808 676289019 /nfs/dbraw/zinc/28/90/19/676289019.db2.gz LDJZQAAZIODZKX-ZDUSSCGKSA-N 1 3 373.339 2.272 20 0 FEADHO CCn1cc(Br)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504808 676289020 /nfs/dbraw/zinc/28/90/20/676289020.db2.gz LDJZQAAZIODZKX-ZDUSSCGKSA-N 1 3 373.339 2.272 20 0 FEADHO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000619720186 676392219 /nfs/dbraw/zinc/39/22/19/676392219.db2.gz MJFVERVMCINLKH-SFHVURJKSA-N 1 3 353.551 2.314 20 0 FEADHO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000619720186 676392221 /nfs/dbraw/zinc/39/22/21/676392221.db2.gz MJFVERVMCINLKH-SFHVURJKSA-N 1 3 353.551 2.314 20 0 FEADHO C[C@@H](C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C)N1CCCCCC1 ZINC000622755408 676504917 /nfs/dbraw/zinc/50/49/17/676504917.db2.gz YSGZEBVOUKKEQB-ROUUACIJSA-N 1 3 351.535 2.353 20 0 FEADHO O[C@H](CNCC1(c2ccccc2Cl)CCOCC1)C[NH+]1CCCC1 ZINC000629559487 676859274 /nfs/dbraw/zinc/85/92/74/676859274.db2.gz DZJBPGXCUPMGET-MRXNPFEDSA-N 1 3 352.906 2.435 20 0 FEADHO C[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1ccccc1Br ZINC000629564011 676859787 /nfs/dbraw/zinc/85/97/87/676859787.db2.gz JCJLCEPPTNALPS-ZIAGYGMSSA-N 1 3 357.292 2.263 20 0 FEADHO O[C@H](C[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)CN1CCCC1 ZINC000629565533 676859971 /nfs/dbraw/zinc/85/99/71/676859971.db2.gz KHCWGPNGWCIYBQ-DOTOQJQBSA-N 1 3 357.420 2.330 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc(Cl)n1 ZINC000830239958 677031686 /nfs/dbraw/zinc/03/16/86/677031686.db2.gz CQTRRNLSDAVHSA-ZBFHGGJFSA-N 1 3 350.894 2.378 20 0 FEADHO C[NH+](C)CCNC(=O)C1CCN(Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648364553 677315045 /nfs/dbraw/zinc/31/50/45/677315045.db2.gz RGWGXQQBQJTWQA-UHFFFAOYSA-N 1 3 364.877 2.371 20 0 FEADHO COc1cc(OC)c(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000651709150 677446246 /nfs/dbraw/zinc/44/62/46/677446246.db2.gz MKGMEPXJTUSISO-HNNXBMFYSA-N 1 3 351.466 2.101 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652311278 677478862 /nfs/dbraw/zinc/47/88/62/677478862.db2.gz FZSTZUWXFRUAAH-UHFFFAOYSA-N 1 3 350.482 2.289 20 0 FEADHO C[NH2+]C[C@](C)(O)CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000652338736 677480082 /nfs/dbraw/zinc/48/00/82/677480082.db2.gz WNKFHUULBQFPJN-KRWDZBQOSA-N 1 3 359.436 2.184 20 0 FEADHO CC(C)CN(CC(C)C)C(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346081 677480551 /nfs/dbraw/zinc/48/05/51/677480551.db2.gz SWOBZEDQWDXXIU-IPMKNSEASA-N 1 3 353.551 2.345 20 0 FEADHO CC1CCC(N(C)C(=O)CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652346642 677480673 /nfs/dbraw/zinc/48/06/73/677480673.db2.gz CFPVXKOAQUVGGT-YMVWIMJXSA-N 1 3 351.535 2.242 20 0 FEADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@H]1CCN ZINC000652355133 677481249 /nfs/dbraw/zinc/48/12/49/677481249.db2.gz PXHWTQSPLATUIL-LRDDRELGSA-N 1 3 366.893 2.217 20 0 FEADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@H]1CCN ZINC000652355133 677481250 /nfs/dbraw/zinc/48/12/50/677481250.db2.gz PXHWTQSPLATUIL-LRDDRELGSA-N 1 3 366.893 2.217 20 0 FEADHO C[C@H]1CCCN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@H]1CC[NH3+] ZINC000652355133 677481252 /nfs/dbraw/zinc/48/12/52/677481252.db2.gz PXHWTQSPLATUIL-LRDDRELGSA-N 1 3 366.893 2.217 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)N2CCCC2)cc1 ZINC000655913819 677672318 /nfs/dbraw/zinc/67/23/18/677672318.db2.gz JUKOVRUDYQIPKU-CABCVRRESA-N 1 3 358.408 2.321 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(s2)CCNC3)[C@H](C)C1 ZINC000662461838 678624430 /nfs/dbraw/zinc/62/44/30/678624430.db2.gz FGTGOJWOBUXTCD-GDBMZVCRSA-N 1 3 365.543 2.261 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc3c(s2)CCNC3)[C@H](C)C1 ZINC000662461838 678624434 /nfs/dbraw/zinc/62/44/34/678624434.db2.gz FGTGOJWOBUXTCD-GDBMZVCRSA-N 1 3 365.543 2.261 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000664445091 678878864 /nfs/dbraw/zinc/87/88/64/678878864.db2.gz LTVKYMQENQQCEG-XJKSGUPXSA-N 1 3 368.909 2.345 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000664445091 678878865 /nfs/dbraw/zinc/87/88/65/678878865.db2.gz LTVKYMQENQQCEG-XJKSGUPXSA-N 1 3 368.909 2.345 20 0 FEADHO CC(C)OC1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000664512832 678889205 /nfs/dbraw/zinc/88/92/05/678889205.db2.gz PAUKQXBBPNBEEM-AOCRQIFASA-N 1 3 356.555 2.294 20 0 FEADHO CC(C)OC1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000664512832 678889206 /nfs/dbraw/zinc/88/92/06/678889206.db2.gz PAUKQXBBPNBEEM-AOCRQIFASA-N 1 3 356.555 2.294 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000664551176 678894126 /nfs/dbraw/zinc/89/41/26/678894126.db2.gz JCIZXWVXAJFSHO-YESZJQIVSA-N 1 3 356.555 2.151 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000664551176 678894128 /nfs/dbraw/zinc/89/41/28/678894128.db2.gz JCIZXWVXAJFSHO-YESZJQIVSA-N 1 3 356.555 2.151 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000666649266 679035932 /nfs/dbraw/zinc/03/59/32/679035932.db2.gz QOUDXARTQMASRT-LBPRGKRZSA-N 1 3 361.412 2.494 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000666649266 679035935 /nfs/dbraw/zinc/03/59/35/679035935.db2.gz QOUDXARTQMASRT-LBPRGKRZSA-N 1 3 361.412 2.494 20 0 FEADHO O=C(NC[C@H]1CCCC[NH2+]1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000669573920 679243486 /nfs/dbraw/zinc/24/34/86/679243486.db2.gz KRTNHWGKYOBRRL-WLYUNCDWSA-N 1 3 362.440 2.233 20 0 FEADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCN1CCCCC1 ZINC000671098234 679310603 /nfs/dbraw/zinc/31/06/03/679310603.db2.gz YGBPUTHBZVJLNY-CQSZACIVSA-N 1 3 356.308 2.465 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(CCc2ccns2)CC3)CC[N@@H+]1C ZINC000990791930 680074344 /nfs/dbraw/zinc/07/43/44/680074344.db2.gz PNDITJZRWCWOKE-VYCZESIESA-N 1 3 362.543 2.139 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(CCc2ccns2)CC3)CC[N@H+]1C ZINC000990791930 680074348 /nfs/dbraw/zinc/07/43/48/680074348.db2.gz PNDITJZRWCWOKE-VYCZESIESA-N 1 3 362.543 2.139 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc(Cl)n1 ZINC000841851351 680914731 /nfs/dbraw/zinc/91/47/31/680914731.db2.gz OWEWVDXZPKPRSM-IRXDYDNUSA-N 1 3 358.873 2.437 20 0 FEADHO [NH3+]CCCCCCCN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000842471510 680949130 /nfs/dbraw/zinc/94/91/30/680949130.db2.gz GODMKVYIQRXDIJ-UHFFFAOYSA-N 1 3 359.561 2.400 20 0 FEADHO CCN(CCCNC(=[NH2+])NC[C@H]1CCCN1CC)C(=O)OC(C)(C)C ZINC000849070118 681649297 /nfs/dbraw/zinc/64/92/97/681649297.db2.gz HBDPWDUKHIWPHH-OAHLLOKOSA-N 1 3 355.527 2.232 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1ccccc1Br ZINC000849117079 681658542 /nfs/dbraw/zinc/65/85/42/681658542.db2.gz SMCXIHTZJQJKNF-WFASDCNBSA-N 1 3 369.307 2.081 20 0 FEADHO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000913928643 685489149 /nfs/dbraw/zinc/48/91/49/685489149.db2.gz UQXNFIBMVQJQEY-FHWLQOOXSA-N 1 3 371.591 2.150 20 0 FEADHO Cc1nc(CNCC2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sc1C ZINC000961850508 682102485 /nfs/dbraw/zinc/10/24/85/682102485.db2.gz WQUNUGZFTRFOTM-TWRYWWQQSA-N 1 3 350.532 2.085 20 0 FEADHO Cc1nc(CNCC2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sc1C ZINC000961850508 682102492 /nfs/dbraw/zinc/10/24/92/682102492.db2.gz WQUNUGZFTRFOTM-TWRYWWQQSA-N 1 3 350.532 2.085 20 0 FEADHO COC[C@H](C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1)OC ZINC000856607271 682794693 /nfs/dbraw/zinc/79/46/93/682794693.db2.gz ZZXNMFYXJYNQDP-MOPGFXCFSA-N 1 3 351.491 2.036 20 0 FEADHO COC[C@H](C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1)OC ZINC000856607271 682794696 /nfs/dbraw/zinc/79/46/96/682794696.db2.gz ZZXNMFYXJYNQDP-MOPGFXCFSA-N 1 3 351.491 2.036 20 0 FEADHO C[C@H](C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2)CN(C)C ZINC000926469998 683128899 /nfs/dbraw/zinc/12/88/99/683128899.db2.gz IQVNUJSMRVVKME-NQNKBUKLSA-N 1 3 355.523 2.092 20 0 FEADHO CN1CC[C@@]2(CC[N@H+](C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)C1 ZINC000862374759 683579945 /nfs/dbraw/zinc/57/99/45/683579945.db2.gz QGQNPHPZQWRLOF-DNVCBOLYSA-N 1 3 353.507 2.386 20 0 FEADHO CN1CC[C@@]2(CC[N@@H+](C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)C1 ZINC000862374759 683579951 /nfs/dbraw/zinc/57/99/51/683579951.db2.gz QGQNPHPZQWRLOF-DNVCBOLYSA-N 1 3 353.507 2.386 20 0 FEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cncc(Br)c1)C2 ZINC000922387943 683712795 /nfs/dbraw/zinc/71/27/95/683712795.db2.gz NKURJHHCDCKPBI-NCOADZHNSA-N 1 3 368.319 2.413 20 0 FEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cncc(Br)c1)C2 ZINC000922387943 683712797 /nfs/dbraw/zinc/71/27/97/683712797.db2.gz NKURJHHCDCKPBI-NCOADZHNSA-N 1 3 368.319 2.413 20 0 FEADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CC2)C1 ZINC000922998796 683817143 /nfs/dbraw/zinc/81/71/43/683817143.db2.gz YLMWTFDFLWROOJ-HNNXBMFYSA-N 1 3 365.547 2.009 20 0 FEADHO FC(F)n1ccnc1CN1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923321387 684262528 /nfs/dbraw/zinc/26/25/28/684262528.db2.gz DMMXTLPFRCOSFN-MQVJKMGUSA-N 1 3 353.461 2.317 20 0 FEADHO C[NH+](C)CC1(O)CCN(CCOc2ccc(Br)cc2)CC1 ZINC000931488126 684291354 /nfs/dbraw/zinc/29/13/54/684291354.db2.gz OWIAZMWRISPMCE-UHFFFAOYSA-N 1 3 357.292 2.216 20 0 FEADHO COCCN(C)CCOc1cccc(C[NH2+]C2[C@@H](C)COC[C@@H]2C)c1 ZINC000924931182 684507501 /nfs/dbraw/zinc/50/75/01/684507501.db2.gz FWMOWQKZWMPTBW-IRXDYDNUSA-N 1 3 350.503 2.404 20 0 FEADHO C[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000925219738 684541765 /nfs/dbraw/zinc/54/17/65/684541765.db2.gz GTSKQOKWQJUKQN-OAHLLOKOSA-N 1 3 357.564 2.043 20 0 FEADHO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925612540 684574069 /nfs/dbraw/zinc/57/40/69/684574069.db2.gz SJWXRVGUEHASPL-RTBURBONSA-N 1 3 371.591 2.195 20 0 FEADHO Cn1c2ccccc2c(Br)c1CNCC1(O)CC[NH+](C)CC1 ZINC000873059512 685061199 /nfs/dbraw/zinc/06/11/99/685061199.db2.gz SNPCJKOTNBFHCG-UHFFFAOYSA-N 1 3 366.303 2.487 20 0 FEADHO C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000873251869 685102324 /nfs/dbraw/zinc/10/23/24/685102324.db2.gz XRPXTQVWAKMLAP-XHNCKOQMSA-N 1 3 352.287 2.029 20 0 FEADHO CCO[C@H]1C[C@](N)(C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1(C)C ZINC000877301676 686350258 /nfs/dbraw/zinc/35/02/58/686350258.db2.gz ZLFJURIGYBVNHD-JXFKEZNVSA-N 1 3 351.535 2.386 20 0 FEADHO CCOC(=O)N1CCC(C)(CN2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000877641984 686428658 /nfs/dbraw/zinc/42/86/58/686428658.db2.gz CWJBSXIQAFUNJY-KRWDZBQOSA-N 1 3 355.523 2.288 20 0 FEADHO Cc1ncc(CNC(=O)CCN2CCN(c3cc[nH+]cc3)[C@H](C)C2)s1 ZINC000880259518 687023766 /nfs/dbraw/zinc/02/37/66/687023766.db2.gz VHEZQCFYERGELT-CQSZACIVSA-N 1 3 359.499 2.064 20 0 FEADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cncs1 ZINC000892521795 689207751 /nfs/dbraw/zinc/20/77/51/689207751.db2.gz FXIWWLGANMRXFZ-ZDUSSCGKSA-N 1 3 351.520 2.062 20 0 FEADHO Cn1nc(C(F)(F)F)c(CNCCCN2CCC[N@H+](C)CC2)c1Cl ZINC000894378977 689521833 /nfs/dbraw/zinc/52/18/33/689521833.db2.gz ZXZOIDUHOOSASP-UHFFFAOYSA-N 1 3 367.847 2.210 20 0 FEADHO Cn1nc(C(F)(F)F)c(CNCCCN2CCC[N@@H+](C)CC2)c1Cl ZINC000894378977 689521836 /nfs/dbraw/zinc/52/18/36/689521836.db2.gz ZXZOIDUHOOSASP-UHFFFAOYSA-N 1 3 367.847 2.210 20 0 FEADHO CC(C)CCN1CCC([NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000894415265 689527526 /nfs/dbraw/zinc/52/75/26/689527526.db2.gz ZIUZLVXTCROBHJ-AEFFLSMTSA-N 1 3 359.580 2.195 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)C1 ZINC000904389086 691024009 /nfs/dbraw/zinc/02/40/09/691024009.db2.gz GUWJRSIKTXJERY-CQSZACIVSA-N 1 3 362.543 2.009 20 0 FEADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(CN(C)C)ccn1)C2 ZINC001164816388 720186013 /nfs/dbraw/zinc/18/60/13/720186013.db2.gz LFTFVZQVXZUVHF-PZJWPPBQSA-N 1 3 358.530 2.328 20 0 FEADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(CN(C)C)ccn1)C2 ZINC001164816388 720186016 /nfs/dbraw/zinc/18/60/16/720186016.db2.gz LFTFVZQVXZUVHF-PZJWPPBQSA-N 1 3 358.530 2.328 20 0 FEADHO CCCN1CCC([NH2+]Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)CC1 ZINC000028308955 539830149 /nfs/dbraw/zinc/83/01/49/539830149.db2.gz NYRDSQDKQAAZDO-UHFFFAOYSA-N 1 3 369.893 2.177 20 0 FEADHO CN(C)Cc1cccc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000051235916 540427954 /nfs/dbraw/zinc/42/79/54/540427954.db2.gz YFJYTFSUXGESRO-UHFFFAOYSA-N 1 3 373.545 2.428 20 0 FEADHO CO[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051758864 540443099 /nfs/dbraw/zinc/44/30/99/540443099.db2.gz OJIYAKVLBMADOE-HXUWFJFHSA-N 1 3 374.529 2.232 20 0 FEADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)C[C@H](C)O1 ZINC000062252944 541146808 /nfs/dbraw/zinc/14/68/08/541146808.db2.gz RJMXQERXGSNEDB-HOTGVXAUSA-N 1 3 361.465 2.385 20 0 FEADHO CCN1CCN(CCC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000073112888 541919651 /nfs/dbraw/zinc/91/96/51/541919651.db2.gz VLNBSDCXHDCZJR-PMACEKPBSA-N 1 3 364.578 2.127 20 0 FEADHO CCN1CCN(CCC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000073112888 541919655 /nfs/dbraw/zinc/91/96/55/541919655.db2.gz VLNBSDCXHDCZJR-PMACEKPBSA-N 1 3 364.578 2.127 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CCSCC1 ZINC000074212585 542054143 /nfs/dbraw/zinc/05/41/43/542054143.db2.gz IHPPDRKYRJLYKZ-KRWDZBQOSA-N 1 3 356.580 2.187 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CCSCC1 ZINC000074212585 542054145 /nfs/dbraw/zinc/05/41/45/542054145.db2.gz IHPPDRKYRJLYKZ-KRWDZBQOSA-N 1 3 356.580 2.187 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079300384 542511954 /nfs/dbraw/zinc/51/19/54/542511954.db2.gz HMFVWLQJBDCOPX-VQTJNVASSA-N 1 3 356.514 2.361 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000079300384 542511956 /nfs/dbraw/zinc/51/19/56/542511956.db2.gz HMFVWLQJBDCOPX-VQTJNVASSA-N 1 3 356.514 2.361 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079300377 542512099 /nfs/dbraw/zinc/51/20/99/542512099.db2.gz HMFVWLQJBDCOPX-WOJBJXKFSA-N 1 3 356.514 2.361 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000079300377 542512103 /nfs/dbraw/zinc/51/21/03/542512103.db2.gz HMFVWLQJBDCOPX-WOJBJXKFSA-N 1 3 356.514 2.361 20 0 FEADHO C[C@@H](CNC(=O)NCCCN1CCc2ccccc2C1)C[NH+]1CCCC1 ZINC000079987874 542555816 /nfs/dbraw/zinc/55/58/16/542555816.db2.gz GJGOBEKXDMRNSN-SFHVURJKSA-N 1 3 358.530 2.466 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(F)cc1F ZINC000087237301 542743967 /nfs/dbraw/zinc/74/39/67/542743967.db2.gz RUHQWEFLWZUYRC-KRWDZBQOSA-N 1 3 353.457 2.382 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(F)cc1F ZINC000087237301 542743970 /nfs/dbraw/zinc/74/39/70/542743970.db2.gz RUHQWEFLWZUYRC-KRWDZBQOSA-N 1 3 353.457 2.382 20 0 FEADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000091743693 542823075 /nfs/dbraw/zinc/82/30/75/542823075.db2.gz RDKYXXFWRKKVFJ-GOSISDBHSA-N 1 3 359.518 2.329 20 0 FEADHO CC[N@H+]1CCC[C@H](CNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000091743693 542823079 /nfs/dbraw/zinc/82/30/79/542823079.db2.gz RDKYXXFWRKKVFJ-GOSISDBHSA-N 1 3 359.518 2.329 20 0 FEADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCN(C)C1CC1 ZINC000092500660 542866520 /nfs/dbraw/zinc/86/65/20/542866520.db2.gz ULIBYTHQSGSFOK-UHFFFAOYSA-N 1 3 359.518 2.424 20 0 FEADHO C[C@@H](CN(C)CCC1CCN(c2cc[nH+]cc2)CC1)CS(C)(=O)=O ZINC000092821502 542888862 /nfs/dbraw/zinc/88/88/62/542888862.db2.gz NTTTVFAWJYIYDT-INIZCTEOSA-N 1 3 353.532 2.301 20 0 FEADHO CN(Cc1ccccc1OCC(=O)N1CCCC1)CC1CC[NH+](C)CC1 ZINC000093089206 542908966 /nfs/dbraw/zinc/90/89/66/542908966.db2.gz JRKPAYBNKFUFSZ-UHFFFAOYSA-N 1 3 359.514 2.461 20 0 FEADHO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000109910311 543343436 /nfs/dbraw/zinc/34/34/36/543343436.db2.gz JNGSPLMERSWJQK-FQEVSTJZSA-N 1 3 359.514 2.105 20 0 FEADHO CC[C@H](OC1CCCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000112886928 543466041 /nfs/dbraw/zinc/46/60/41/543466041.db2.gz CPHRVBHGEXDWPV-IBGZPJMESA-N 1 3 351.535 2.399 20 0 FEADHO CC[C@@H](OC1CCCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000112886929 543466213 /nfs/dbraw/zinc/46/62/13/543466213.db2.gz CPHRVBHGEXDWPV-LJQANCHMSA-N 1 3 351.535 2.399 20 0 FEADHO C[C@@H]([NH2+]C1(CNC(=O)NC2CCN(C)CC2)CCOCC1)c1ccccc1 ZINC000113579258 543491070 /nfs/dbraw/zinc/49/10/70/543491070.db2.gz UGBLOZXQCCJEDU-QGZVFWFLSA-N 1 3 374.529 2.280 20 0 FEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)[C@H]1CCCO1 ZINC000128286937 544043084 /nfs/dbraw/zinc/04/30/84/544043084.db2.gz VLJKFIIAXHLNRK-OKZBNKHCSA-N 1 3 354.539 2.002 20 0 FEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)[C@H]1CCCO1 ZINC000128286937 544043086 /nfs/dbraw/zinc/04/30/86/544043086.db2.gz VLJKFIIAXHLNRK-OKZBNKHCSA-N 1 3 354.539 2.002 20 0 FEADHO Cc1ccc(-c2nc(C(=O)N(CCN(C)C)CC[NH+](C)C)cs2)n1C ZINC000130277552 544145247 /nfs/dbraw/zinc/14/52/47/544145247.db2.gz QXUFSELRDGAEDU-UHFFFAOYSA-N 1 3 363.531 2.022 20 0 FEADHO CC[N@H+](CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C1CC1 ZINC000132776856 544243662 /nfs/dbraw/zinc/24/36/62/544243662.db2.gz NPLYVRCWLALCIR-INIZCTEOSA-N 1 3 359.518 2.391 20 0 FEADHO CC[N@@H+](CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C1CC1 ZINC000132776856 544243663 /nfs/dbraw/zinc/24/36/63/544243663.db2.gz NPLYVRCWLALCIR-INIZCTEOSA-N 1 3 359.518 2.391 20 0 FEADHO c1ccc(CC[NH+]2CCC(NC[C@@H]3COC4(CCOCC4)O3)CC2)cc1 ZINC000133226418 544260833 /nfs/dbraw/zinc/26/08/33/544260833.db2.gz NKTIMBUUHCAJRM-HXUWFJFHSA-N 1 3 360.498 2.205 20 0 FEADHO C[C@H](CCNCc1ccccc1N(C)C1CC[NH+](C)CC1)[S@](C)=O ZINC000133612073 544276760 /nfs/dbraw/zinc/27/67/60/544276760.db2.gz ZLTQFMFAFDRRJG-VOIUYBSRSA-N 1 3 351.560 2.464 20 0 FEADHO CN(c1ccccc1C[NH2+]CCCC(=O)NC1CC1)C1CCN(C)CC1 ZINC000133018587 544252543 /nfs/dbraw/zinc/25/25/43/544252543.db2.gz DQUNETFVEILGDJ-UHFFFAOYSA-N 1 3 358.530 2.365 20 0 FEADHO CN(c1ccccc1C[NH2+]C[C@@]1(CCO)CCOC1)C1CCN(C)CC1 ZINC000134433064 544307866 /nfs/dbraw/zinc/30/78/66/544307866.db2.gz QRCCFPAUNYDPBL-OAQYLSRUSA-N 1 3 361.530 2.096 20 0 FEADHO O[C@H](CNC1CC[NH+](C2CCCC2)CC1)CN1CCc2ccccc2C1 ZINC000151803999 544582556 /nfs/dbraw/zinc/58/25/56/544582556.db2.gz CSPIAGXPKYGITC-JOCHJYFZSA-N 1 3 357.542 2.402 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCOCC3CC3)CC2)CC1 ZINC000553187791 674243992 /nfs/dbraw/zinc/24/39/92/674243992.db2.gz OCFVJRYLXIHKNS-UHFFFAOYSA-N 1 3 351.535 2.068 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000187819366 328048199 /nfs/dbraw/zinc/04/81/99/328048199.db2.gz LGPPVKHIOPRKCD-AZUAARDMSA-N 1 3 358.530 2.490 20 0 FEADHO Cc1cc(NC(=O)c2n[nH]c3c2CNCC3)ccc1OCC[NH+]1CCCC1 ZINC000188776366 328110292 /nfs/dbraw/zinc/11/02/92/328110292.db2.gz YASJPQXUBZGBAR-UHFFFAOYSA-N 1 3 369.469 2.091 20 0 FEADHO CN1CC[C@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H]1c1ccccc1 ZINC000189699850 328162903 /nfs/dbraw/zinc/16/29/03/328162903.db2.gz WAVZOLWYBLNZRL-WMZOPIPTSA-N 1 3 356.474 2.012 20 0 FEADHO Cc1ccc2cc(C[NH+]3CCC(C(=O)NCCN(C)C)CC3)ccc2n1 ZINC000189818234 328169665 /nfs/dbraw/zinc/16/96/65/328169665.db2.gz FMKYOYCIMQHJDR-UHFFFAOYSA-N 1 3 354.498 2.433 20 0 FEADHO CC(C)N1CCN(CCC[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)CC1 ZINC000191536156 328270219 /nfs/dbraw/zinc/27/02/19/328270219.db2.gz CIJTUXFJUBYBFR-NRFANRHFSA-N 1 3 367.578 2.453 20 0 FEADHO CN(C)CCn1ccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000193844754 328398501 /nfs/dbraw/zinc/39/85/01/328398501.db2.gz NOEJVACFGCODBC-GOSISDBHSA-N 1 3 370.501 2.088 20 0 FEADHO CN(C)CCn1ccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000193844754 328398503 /nfs/dbraw/zinc/39/85/03/328398503.db2.gz NOEJVACFGCODBC-GOSISDBHSA-N 1 3 370.501 2.088 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000077787926 325016036 /nfs/dbraw/zinc/01/60/36/325016036.db2.gz DAEINPBAHOMIQL-INIZCTEOSA-N 1 3 368.909 2.298 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C[C@@H](C)O1 ZINC000237570060 328520491 /nfs/dbraw/zinc/52/04/91/328520491.db2.gz FOUPOETUFAXTMT-GYMWCJPTSA-N 1 3 363.546 2.255 20 0 FEADHO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000090395095 325357292 /nfs/dbraw/zinc/35/72/92/325357292.db2.gz XBVJHQBRIXWLDO-WBVHZDCISA-N 1 3 373.501 2.031 20 0 FEADHO O=C(CNC[C@@H]1CCCO1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000237902180 328533507 /nfs/dbraw/zinc/53/35/07/328533507.db2.gz UPFXKYHDQQAZGI-FQEVSTJZSA-N 1 3 359.514 2.447 20 0 FEADHO C[NH+](C)CCCOc1ccc(CNC(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000103301702 325513177 /nfs/dbraw/zinc/51/31/77/325513177.db2.gz UYEYZWJRQWWPNT-UHFFFAOYSA-N 1 3 374.529 2.443 20 0 FEADHO CN(C)CCNC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000118093594 326079602 /nfs/dbraw/zinc/07/96/02/326079602.db2.gz GYLHPJNUOIWKCC-UHFFFAOYSA-N 1 3 360.502 2.067 20 0 FEADHO CN(C)CCNC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000118093594 326079605 /nfs/dbraw/zinc/07/96/05/326079605.db2.gz GYLHPJNUOIWKCC-UHFFFAOYSA-N 1 3 360.502 2.067 20 0 FEADHO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000118123843 326083962 /nfs/dbraw/zinc/08/39/62/326083962.db2.gz PXZNWNPXEGBNKG-UHFFFAOYSA-N 1 3 360.502 2.067 20 0 FEADHO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000118123843 326083965 /nfs/dbraw/zinc/08/39/65/326083965.db2.gz PXZNWNPXEGBNKG-UHFFFAOYSA-N 1 3 360.502 2.067 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000119372876 326154836 /nfs/dbraw/zinc/15/48/36/326154836.db2.gz SZUNEJINJUWASC-HOCLYGCPSA-N 1 3 373.588 2.251 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000119372876 326154837 /nfs/dbraw/zinc/15/48/37/326154837.db2.gz SZUNEJINJUWASC-HOCLYGCPSA-N 1 3 373.588 2.251 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000121109693 326313912 /nfs/dbraw/zinc/31/39/12/326313912.db2.gz DXCYSPUSNAOGLJ-RBUKOAKNSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000121109693 326313913 /nfs/dbraw/zinc/31/39/13/326313913.db2.gz DXCYSPUSNAOGLJ-RBUKOAKNSA-N 1 3 356.514 2.435 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000121385339 326334522 /nfs/dbraw/zinc/33/45/22/326334522.db2.gz YRHHYAHOICULRW-DLBZAZTESA-N 1 3 367.559 2.014 20 0 FEADHO C[C@@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000122264249 326390241 /nfs/dbraw/zinc/39/02/41/326390241.db2.gz WOYPQNOBJSJCPJ-OTWHNJEPSA-N 1 3 372.557 2.312 20 0 FEADHO C[C@@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000122264249 326390243 /nfs/dbraw/zinc/39/02/43/326390243.db2.gz WOYPQNOBJSJCPJ-OTWHNJEPSA-N 1 3 372.557 2.312 20 0 FEADHO C[NH+](C)CC1CCC(NC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000129630716 326543962 /nfs/dbraw/zinc/54/39/62/326543962.db2.gz NBPNELYWVNMQHW-UHFFFAOYSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000150954523 326671818 /nfs/dbraw/zinc/67/18/18/326671818.db2.gz UPUZVXIYLKBOQG-INIZCTEOSA-N 1 3 360.502 2.320 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000155699394 326800741 /nfs/dbraw/zinc/80/07/41/326800741.db2.gz CPHBTZTXCBHMPG-JKSUJKDBSA-N 1 3 362.518 2.330 20 0 FEADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000162025963 327015252 /nfs/dbraw/zinc/01/52/52/327015252.db2.gz NNZZSEWWASOLLM-WSTZPKSXSA-N 1 3 361.530 2.216 20 0 FEADHO CCN1CCC[C@H]1CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000162598319 327029518 /nfs/dbraw/zinc/02/95/18/327029518.db2.gz WEIHJPVAXPYMMS-IBGZPJMESA-N 1 3 359.518 2.424 20 0 FEADHO C[C@H](CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)[N@H+](C)C1CC1 ZINC000163062441 327041572 /nfs/dbraw/zinc/04/15/72/327041572.db2.gz QIJZCAASMXOWEA-MRXNPFEDSA-N 1 3 359.514 2.103 20 0 FEADHO C[C@H](CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)[N@@H+](C)C1CC1 ZINC000163062441 327041573 /nfs/dbraw/zinc/04/15/73/327041573.db2.gz QIJZCAASMXOWEA-MRXNPFEDSA-N 1 3 359.514 2.103 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000164390435 327069529 /nfs/dbraw/zinc/06/95/29/327069529.db2.gz WUDYKPKMLAFUFI-UXHICEINSA-N 1 3 360.546 2.436 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000164390435 327069530 /nfs/dbraw/zinc/06/95/30/327069530.db2.gz WUDYKPKMLAFUFI-UXHICEINSA-N 1 3 360.546 2.436 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000165995743 327080197 /nfs/dbraw/zinc/08/01/97/327080197.db2.gz FBFYTMVNHJBJJF-HIFRSBDPSA-N 1 3 360.495 2.237 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2ccc(C)cn2)[C@H](C)C1 ZINC000167145843 327084038 /nfs/dbraw/zinc/08/40/38/327084038.db2.gz QZDCDUHQBMMGRE-MSOLQXFVSA-N 1 3 362.518 2.445 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2ccc(C)cn2)[C@H](C)C1 ZINC000167145843 327084039 /nfs/dbraw/zinc/08/40/39/327084039.db2.gz QZDCDUHQBMMGRE-MSOLQXFVSA-N 1 3 362.518 2.445 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171043317 327114228 /nfs/dbraw/zinc/11/42/28/327114228.db2.gz MQKIUCFAWHUXOP-QGZVFWFLSA-N 1 3 366.575 2.228 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000171190144 327123239 /nfs/dbraw/zinc/12/32/39/327123239.db2.gz HMVWNCJPZRIHIZ-LJQANCHMSA-N 1 3 362.518 2.089 20 0 FEADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000173227453 327242979 /nfs/dbraw/zinc/24/29/79/327242979.db2.gz XQQNMTHFLNPNBR-HXUWFJFHSA-N 1 3 354.498 2.307 20 0 FEADHO Cc1cccc(OC[C@@H](O)CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173958946 327297786 /nfs/dbraw/zinc/29/77/86/327297786.db2.gz HUAQXOYNXDFTBI-IBGZPJMESA-N 1 3 362.514 2.312 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176411469 327454175 /nfs/dbraw/zinc/45/41/75/327454175.db2.gz NFUSIUJAXJIXAE-ROUUACIJSA-N 1 3 354.539 2.048 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000178013215 327558834 /nfs/dbraw/zinc/55/88/34/327558834.db2.gz NFVGYIBYULOSBO-MOPGFXCFSA-N 1 3 374.529 2.456 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCCCCC1 ZINC000247531244 328692464 /nfs/dbraw/zinc/69/24/64/328692464.db2.gz PBAIUIAPTGKLBT-BHIYHBOVSA-N 1 3 351.535 2.135 20 0 FEADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)CC1 ZINC000261969112 328832549 /nfs/dbraw/zinc/83/25/49/328832549.db2.gz CMWXUMMXHJBLQL-HNNXBMFYSA-N 1 3 363.502 2.030 20 0 FEADHO C[C@H]1C[C@@H](C(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)CC[NH2+]1 ZINC000262423417 328865092 /nfs/dbraw/zinc/86/50/92/328865092.db2.gz QSTYVIPUUFCOBB-DZFGPLHGSA-N 1 3 373.541 2.279 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262846895 328894366 /nfs/dbraw/zinc/89/43/66/328894366.db2.gz UOFPUPHHFSLHJQ-OAHLLOKOSA-N 1 3 361.515 2.073 20 0 FEADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000263119895 328917250 /nfs/dbraw/zinc/91/72/50/328917250.db2.gz AWLCNEYARKGBDH-CTNGQTDRSA-N 1 3 359.514 2.167 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CC[N@H+](C)C3)c(C)c2)CC1 ZINC000264337615 329011732 /nfs/dbraw/zinc/01/17/32/329011732.db2.gz VNILNXXOBPXNNL-KRWDZBQOSA-N 1 3 359.518 2.210 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CC[N@@H+](C)C3)c(C)c2)CC1 ZINC000264337615 329011733 /nfs/dbraw/zinc/01/17/33/329011733.db2.gz VNILNXXOBPXNNL-KRWDZBQOSA-N 1 3 359.518 2.210 20 0 FEADHO C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000264552982 329035255 /nfs/dbraw/zinc/03/52/55/329035255.db2.gz DDCFNHQPRLATGS-LJQANCHMSA-N 1 3 374.529 2.397 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000264552982 329035256 /nfs/dbraw/zinc/03/52/56/329035256.db2.gz DDCFNHQPRLATGS-LJQANCHMSA-N 1 3 374.529 2.397 20 0 FEADHO CN(C)[C@]1(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCSC1 ZINC000267146600 329296296 /nfs/dbraw/zinc/29/62/96/329296296.db2.gz VPJDYXQGDSIURC-FQEVSTJZSA-N 1 3 361.555 2.452 20 0 FEADHO CCc1oc(C(=O)OC)cc1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000267368479 329319687 /nfs/dbraw/zinc/31/96/87/329319687.db2.gz JQPAVYMESIYIRX-UHFFFAOYSA-N 1 3 350.459 2.173 20 0 FEADHO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000271467711 329695993 /nfs/dbraw/zinc/69/59/93/329695993.db2.gz IMWHTKMHIOODFT-NRFANRHFSA-N 1 3 369.509 2.325 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000272936438 329824944 /nfs/dbraw/zinc/82/49/44/329824944.db2.gz BHPFOTNZMJSMNN-NRFANRHFSA-N 1 3 358.530 2.337 20 0 FEADHO CN(C)[C@]1(CNC(=O)Nc2ccccc2CC[NH+](C)C)CCSC1 ZINC000275661502 330075681 /nfs/dbraw/zinc/07/56/81/330075681.db2.gz NZNPNADRPYVOGT-SFHVURJKSA-N 1 3 350.532 2.350 20 0 FEADHO CN(C)Cc1ccc(NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)cc1 ZINC000275789184 330089446 /nfs/dbraw/zinc/08/94/46/330089446.db2.gz YDJMYSZAHSAUBJ-UHFFFAOYSA-N 1 3 368.481 2.430 20 0 FEADHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000294194528 330191832 /nfs/dbraw/zinc/19/18/32/330191832.db2.gz KLNBXVVPDAEOKV-SJORKVTESA-N 1 3 354.516 2.072 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)CC1 ZINC000367049693 330211237 /nfs/dbraw/zinc/21/12/37/330211237.db2.gz IGFNCQUDOYHQIM-QFIPXVFZSA-N 1 3 359.558 2.472 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)CC1 ZINC000367049693 330211238 /nfs/dbraw/zinc/21/12/38/330211238.db2.gz IGFNCQUDOYHQIM-QFIPXVFZSA-N 1 3 359.558 2.472 20 0 FEADHO O=C(CN1CC[C@]2(C1)CCCOC2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000367081104 330214723 /nfs/dbraw/zinc/21/47/23/330214723.db2.gz QTTZLBWCRQXRPJ-QFIPXVFZSA-N 1 3 371.525 2.401 20 0 FEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000426245147 330271687 /nfs/dbraw/zinc/27/16/87/330271687.db2.gz LITYDQHPRFYCJF-QZTJIDSGSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@@H](CCNS(=O)(=O)c1ccc(CN(C)C)cc1)[NH+]1CCCCC1 ZINC000477467843 561145792 /nfs/dbraw/zinc/14/57/92/561145792.db2.gz JZPVVAISJLKLNA-INIZCTEOSA-N 1 3 353.532 2.291 20 0 FEADHO COCCC1(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCC1 ZINC000158868430 545902172 /nfs/dbraw/zinc/90/21/72/545902172.db2.gz IOVNVZWGGGEWJP-UHFFFAOYSA-N 1 3 366.550 2.051 20 0 FEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000478603090 561170801 /nfs/dbraw/zinc/17/08/01/561170801.db2.gz PVJWRGJREFRSJF-KRWDZBQOSA-N 1 3 352.567 2.029 20 0 FEADHO COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCN(C3CC3)C2)c1 ZINC000478843294 561175942 /nfs/dbraw/zinc/17/59/42/561175942.db2.gz OVWDFBDNICKKCV-KRWDZBQOSA-N 1 3 360.502 2.005 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)c1 ZINC000177094388 546542479 /nfs/dbraw/zinc/54/24/79/546542479.db2.gz DEKAZZYHCSXDEQ-RBUKOAKNSA-N 1 3 370.541 2.249 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)CC2)c1 ZINC000177094388 546542482 /nfs/dbraw/zinc/54/24/82/546542482.db2.gz DEKAZZYHCSXDEQ-RBUKOAKNSA-N 1 3 370.541 2.249 20 0 FEADHO O[C@H](Cn1cccn1)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000178646511 546825849 /nfs/dbraw/zinc/82/58/49/546825849.db2.gz IXYGVSNDKLBFIL-HKBOAZHASA-N 1 3 354.498 2.231 20 0 FEADHO O[C@H](Cn1cccn1)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000178646511 546825854 /nfs/dbraw/zinc/82/58/54/546825854.db2.gz IXYGVSNDKLBFIL-HKBOAZHASA-N 1 3 354.498 2.231 20 0 FEADHO CN(C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000179102802 546899316 /nfs/dbraw/zinc/89/93/16/546899316.db2.gz PILBGSNMQHJJAL-WBVHZDCISA-N 1 3 355.404 2.261 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483174553 561269510 /nfs/dbraw/zinc/26/95/10/561269510.db2.gz RBMAHZFBDUJWMV-HKUYNNGSSA-N 1 3 351.535 2.210 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483174553 561269511 /nfs/dbraw/zinc/26/95/11/561269511.db2.gz RBMAHZFBDUJWMV-HKUYNNGSSA-N 1 3 351.535 2.210 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000182306049 547471236 /nfs/dbraw/zinc/47/12/36/547471236.db2.gz YHZQXLIECPTOSJ-QUCCMNQESA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000182306049 547471239 /nfs/dbraw/zinc/47/12/39/547471239.db2.gz YHZQXLIECPTOSJ-QUCCMNQESA-N 1 3 374.529 2.253 20 0 FEADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000484306871 561295951 /nfs/dbraw/zinc/29/59/51/561295951.db2.gz DDTBHTYPSJQMPG-YZGWKJHDSA-N 1 3 358.530 2.428 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1Cc2ccccc2C1 ZINC000184918550 547900311 /nfs/dbraw/zinc/90/03/11/547900311.db2.gz AOOYVRGVZGENJW-FQEVSTJZSA-N 1 3 358.530 2.211 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1Cc2ccccc2C1 ZINC000184918550 547900314 /nfs/dbraw/zinc/90/03/14/547900314.db2.gz AOOYVRGVZGENJW-FQEVSTJZSA-N 1 3 358.530 2.211 20 0 FEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000186121087 548087517 /nfs/dbraw/zinc/08/75/17/548087517.db2.gz KTFCBZVGOLLSLH-GOSISDBHSA-N 1 3 366.550 2.005 20 0 FEADHO C[C@H](NC(C)(C)CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000485823836 561329035 /nfs/dbraw/zinc/32/90/35/561329035.db2.gz ZYOODSIEHCKOSS-RDJZCZTQSA-N 1 3 370.501 2.062 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000486492076 561348749 /nfs/dbraw/zinc/34/87/49/561348749.db2.gz JRPNHNQNZWJTME-JENIJYKNSA-N 1 3 359.514 2.200 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000486492076 561348750 /nfs/dbraw/zinc/34/87/50/561348750.db2.gz JRPNHNQNZWJTME-JENIJYKNSA-N 1 3 359.514 2.200 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2[nH]c1=O ZINC000194872870 548543423 /nfs/dbraw/zinc/54/34/23/548543423.db2.gz QJVOCXJFAHZVOM-KRWDZBQOSA-N 1 3 370.497 2.016 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2[nH]c1=O ZINC000194872870 548543426 /nfs/dbraw/zinc/54/34/26/548543426.db2.gz QJVOCXJFAHZVOM-KRWDZBQOSA-N 1 3 370.497 2.016 20 0 FEADHO CN(CCN1CCN(C(=O)CCC2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000237136571 548802754 /nfs/dbraw/zinc/80/27/54/548802754.db2.gz FFJQJYUZHHHGIR-UHFFFAOYSA-N 1 3 372.557 2.042 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)C2([NH3+])CCCCC2)cc1)[C@H]1CCCN(C)C1 ZINC000237186760 548806243 /nfs/dbraw/zinc/80/62/43/548806243.db2.gz ROJUSMHRHNTDCV-SFHVURJKSA-N 1 3 372.513 2.453 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCCC[C@H]3[C@H](C)[NH3+])CC2)c1 ZINC000237417881 548825087 /nfs/dbraw/zinc/82/50/87/548825087.db2.gz YAMHPPQBMVCUDO-ICSRJNTNSA-N 1 3 358.530 2.235 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000245662365 548969663 /nfs/dbraw/zinc/96/96/63/548969663.db2.gz DIMPXSTWUADBDU-OALUTQOASA-N 1 3 374.529 2.048 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000245662365 548969665 /nfs/dbraw/zinc/96/96/65/548969665.db2.gz DIMPXSTWUADBDU-OALUTQOASA-N 1 3 374.529 2.048 20 0 FEADHO NC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000246181209 549070766 /nfs/dbraw/zinc/07/07/66/549070766.db2.gz CEIYRDJAOFGMJQ-TZIWHRDSSA-N 1 3 351.494 2.410 20 0 FEADHO NC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000246181209 549070769 /nfs/dbraw/zinc/07/07/69/549070769.db2.gz CEIYRDJAOFGMJQ-TZIWHRDSSA-N 1 3 351.494 2.410 20 0 FEADHO C[C@H](CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000488536029 561391447 /nfs/dbraw/zinc/39/14/47/561391447.db2.gz MYEDGDCDSWVTKM-FCGDIQPGSA-N 1 3 350.551 2.479 20 0 FEADHO CCC[NH+]1CCC(CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000488600047 561392613 /nfs/dbraw/zinc/39/26/13/561392613.db2.gz PSXAJBVGGIWHHD-ZHALLVOQSA-N 1 3 350.551 2.480 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)N2CCN(C3CCC3)C[C@H](C)C2)CC1 ZINC000488616165 561393099 /nfs/dbraw/zinc/39/30/99/561393099.db2.gz CRPKBUPVUWAEMF-KRWDZBQOSA-N 1 3 366.550 2.003 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000246561935 549162834 /nfs/dbraw/zinc/16/28/34/549162834.db2.gz WUDYKPKMLAFUFI-WOJBJXKFSA-N 1 3 360.546 2.436 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000246561935 549162837 /nfs/dbraw/zinc/16/28/37/549162837.db2.gz WUDYKPKMLAFUFI-WOJBJXKFSA-N 1 3 360.546 2.436 20 0 FEADHO CC[N@@H+]1CC[C@@H](NCCNC(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000246809790 549218147 /nfs/dbraw/zinc/21/81/47/549218147.db2.gz ANWPBTSJXJLKNX-XJKSGUPXSA-N 1 3 368.319 2.499 20 0 FEADHO CC[N@H+]1CC[C@@H](NCCNC(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000246809790 549218149 /nfs/dbraw/zinc/21/81/49/549218149.db2.gz ANWPBTSJXJLKNX-XJKSGUPXSA-N 1 3 368.319 2.499 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000246843030 549226410 /nfs/dbraw/zinc/22/64/10/549226410.db2.gz YSBIRBQNWLHRTO-QUCCMNQESA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000246843030 549226413 /nfs/dbraw/zinc/22/64/13/549226413.db2.gz YSBIRBQNWLHRTO-QUCCMNQESA-N 1 3 356.514 2.435 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246919486 549242582 /nfs/dbraw/zinc/24/25/82/549242582.db2.gz MXGIBHOZGSSRHS-HSALFYBXSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246919486 549242584 /nfs/dbraw/zinc/24/25/84/549242584.db2.gz MXGIBHOZGSSRHS-HSALFYBXSA-N 1 3 358.530 2.285 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCN2CCC(C)CC2)[C@@H](C)C1 ZINC000247101658 549284416 /nfs/dbraw/zinc/28/44/16/549284416.db2.gz FEVHCSVGFJTVIQ-OALUTQOASA-N 1 3 368.566 2.155 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCCN2CCC(C)CC2)[C@@H](C)C1 ZINC000247101658 549284420 /nfs/dbraw/zinc/28/44/20/549284420.db2.gz FEVHCSVGFJTVIQ-OALUTQOASA-N 1 3 368.566 2.155 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000489149350 561404475 /nfs/dbraw/zinc/40/44/75/561404475.db2.gz PFUYDZMGOORDLF-CVEARBPZSA-N 1 3 354.539 2.048 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(-n3cnnn3)cc2)[C@@H](C)C1 ZINC000247941254 549393108 /nfs/dbraw/zinc/39/31/08/549393108.db2.gz CZVIJRIZHJHUNL-ZWOKBUDYSA-N 1 3 372.517 2.450 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(-n3cnnn3)cc2)[C@@H](C)C1 ZINC000247941254 549393112 /nfs/dbraw/zinc/39/31/12/549393112.db2.gz CZVIJRIZHJHUNL-ZWOKBUDYSA-N 1 3 372.517 2.450 20 0 FEADHO CC[NH+]1CCC(CCNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000489342415 561408670 /nfs/dbraw/zinc/40/86/70/561408670.db2.gz XAUZJZCVDLPVGZ-ZHALLVOQSA-N 1 3 350.551 2.480 20 0 FEADHO CCN(Cc1ccc(C(=O)NCC2(COC)CC[NH2+]CC2)cc1)C1CC1 ZINC000261793061 549755967 /nfs/dbraw/zinc/75/59/67/549755967.db2.gz UQWZIDJTTQIZDM-UHFFFAOYSA-N 1 3 359.514 2.417 20 0 FEADHO c1ccc(COc2cccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)c2)nc1 ZINC000262075781 549786057 /nfs/dbraw/zinc/78/60/57/549786057.db2.gz DHAHAEUWXVCNMD-FQEVSTJZSA-N 1 3 352.482 2.140 20 0 FEADHO O=C(NC[C@@H]1CCCN(CCOc2cccc(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000262119690 549790318 /nfs/dbraw/zinc/79/03/18/549790318.db2.gz BWFOEPGCTONUTK-MAUKXSAKSA-N 1 3 365.905 2.299 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1)[C@H]1CCCN(C)C1 ZINC000262273899 549805018 /nfs/dbraw/zinc/80/50/18/549805018.db2.gz JCERUOKMDVZNIM-LMMKCTJWSA-N 1 3 372.513 2.309 20 0 FEADHO COCC1(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)CC[NH2+]CC1 ZINC000262331395 549811619 /nfs/dbraw/zinc/81/16/19/549811619.db2.gz FJSKHGFNRPEWBW-UHFFFAOYSA-N 1 3 369.893 2.235 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000263140729 549880559 /nfs/dbraw/zinc/88/05/59/549880559.db2.gz CISVDZLSCBLOFC-UHFFFAOYSA-N 1 3 372.557 2.220 20 0 FEADHO CN(CCN1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1)Cc1ccccc1 ZINC000263191499 549884471 /nfs/dbraw/zinc/88/44/71/549884471.db2.gz HXQYGAGERQUHED-RBBKRZOGSA-N 1 3 372.557 2.170 20 0 FEADHO CCOc1ccccc1OCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000490962205 561441068 /nfs/dbraw/zinc/44/10/68/561441068.db2.gz DQPMSFZAKBLAJS-MOPGFXCFSA-N 1 3 361.530 2.422 20 0 FEADHO CCOc1ccccc1OCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000490962205 561441069 /nfs/dbraw/zinc/44/10/69/561441069.db2.gz DQPMSFZAKBLAJS-MOPGFXCFSA-N 1 3 361.530 2.422 20 0 FEADHO CSC1(CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC[NH+](C)CC1 ZINC000491030338 561442008 /nfs/dbraw/zinc/44/20/08/561442008.db2.gz BPJRCRCWNZCQFX-YESZJQIVSA-N 1 3 368.591 2.186 20 0 FEADHO CC(C)[NH+]1CCC(N2CCN(CCCOCC(F)(F)F)CC2)CC1 ZINC000491357521 561445003 /nfs/dbraw/zinc/44/50/03/561445003.db2.gz AFTMUZACYDQYSR-UHFFFAOYSA-N 1 3 351.457 2.446 20 0 FEADHO CN(CCNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000491831161 561447775 /nfs/dbraw/zinc/44/77/75/561447775.db2.gz WFFZQCOUHPSHJN-UHFFFAOYSA-N 1 3 360.502 2.055 20 0 FEADHO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C2CCN(C3CCC3)CC2)c1 ZINC000269016544 550144279 /nfs/dbraw/zinc/14/42/79/550144279.db2.gz OUHISZFPVFCTIS-CQSZACIVSA-N 1 3 351.516 2.262 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C[C@H]3CNCCO3)cc2)C1 ZINC000269236173 550170616 /nfs/dbraw/zinc/17/06/16/550170616.db2.gz NCMJGEHHZCDRCE-QKLQHJQFSA-N 1 3 359.514 2.159 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C[C@H]3CNCCO3)cc2)C1 ZINC000269236173 550170618 /nfs/dbraw/zinc/17/06/18/550170618.db2.gz NCMJGEHHZCDRCE-QKLQHJQFSA-N 1 3 359.514 2.159 20 0 FEADHO C[N@H+](Cc1ccccc1CNC(=O)C[C@@H]1CNCCO1)C1CCCCC1 ZINC000269239335 550171164 /nfs/dbraw/zinc/17/11/64/550171164.db2.gz IPSNBJPUEZOAQX-HXUWFJFHSA-N 1 3 359.514 2.446 20 0 FEADHO C[N@@H+](Cc1ccccc1CNC(=O)C[C@@H]1CNCCO1)C1CCCCC1 ZINC000269239335 550171166 /nfs/dbraw/zinc/17/11/66/550171166.db2.gz IPSNBJPUEZOAQX-HXUWFJFHSA-N 1 3 359.514 2.446 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C)CC1 ZINC000494233265 561465305 /nfs/dbraw/zinc/46/53/05/561465305.db2.gz HHPIKYKJGSTYTQ-NQIIRXRSSA-N 1 3 359.514 2.186 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)NCC1=CCN(C)CC1 ZINC000272123926 550423915 /nfs/dbraw/zinc/42/39/15/550423915.db2.gz UKGWPWFOBVGGCL-UHFFFAOYSA-N 1 3 374.529 2.468 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000272593888 550459483 /nfs/dbraw/zinc/45/94/83/550459483.db2.gz OJCXMMXNPQSTHY-IEBWSBKVSA-N 1 3 357.502 2.034 20 0 FEADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000273076002 550484089 /nfs/dbraw/zinc/48/40/89/550484089.db2.gz GMRHFCHYZJFDAK-RTWAWAEBSA-N 1 3 371.525 2.276 20 0 FEADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000273076002 550484091 /nfs/dbraw/zinc/48/40/91/550484091.db2.gz GMRHFCHYZJFDAK-RTWAWAEBSA-N 1 3 371.525 2.276 20 0 FEADHO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000274926004 550565263 /nfs/dbraw/zinc/56/52/63/550565263.db2.gz YYQRKDAKCKLRCJ-QGZVFWFLSA-N 1 3 362.543 2.351 20 0 FEADHO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000274926004 550565265 /nfs/dbraw/zinc/56/52/65/550565265.db2.gz YYQRKDAKCKLRCJ-QGZVFWFLSA-N 1 3 362.543 2.351 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276799107 550597156 /nfs/dbraw/zinc/59/71/56/550597156.db2.gz QRRMVELWHPVDGW-UHFFFAOYSA-N 1 3 374.529 2.233 20 0 FEADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000277025644 550623545 /nfs/dbraw/zinc/62/35/45/550623545.db2.gz ATOXOIPHFHKNLW-LJQANCHMSA-N 1 3 374.529 2.268 20 0 FEADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000277025644 550623546 /nfs/dbraw/zinc/62/35/46/550623546.db2.gz ATOXOIPHFHKNLW-LJQANCHMSA-N 1 3 374.529 2.268 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277077435 550629382 /nfs/dbraw/zinc/62/93/82/550629382.db2.gz IYAVWCCZEWLOBN-IBGZPJMESA-N 1 3 374.529 2.410 20 0 FEADHO C[C@@H]1CCN(C)CCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000495042781 561481576 /nfs/dbraw/zinc/48/15/76/561481576.db2.gz ZNWBIYSGXIUNAZ-QGZVFWFLSA-N 1 3 359.514 2.057 20 0 FEADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279066031 550852444 /nfs/dbraw/zinc/85/24/44/550852444.db2.gz SXBOMJJADYUBHL-VQIMIIECSA-N 1 3 353.470 2.054 20 0 FEADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCS(=O)(=O)C1 ZINC000279768808 550927076 /nfs/dbraw/zinc/92/70/76/550927076.db2.gz SNDHRTZSACSZBT-QGZVFWFLSA-N 1 3 351.516 2.055 20 0 FEADHO CN1CC[NH+](CCCNCc2c(F)ccc(Br)c2F)CC1 ZINC000281851187 551148469 /nfs/dbraw/zinc/14/84/69/551148469.db2.gz BFPZKOHANSTSPM-UHFFFAOYSA-N 1 3 362.262 2.454 20 0 FEADHO C[C@@H]([NH2+]C1(CNC(=O)N[C@@H](C)CN(C)C)CCOCC1)c1ccccc1 ZINC000497348526 561498932 /nfs/dbraw/zinc/49/89/32/561498932.db2.gz YFXVVVAFGQMJFU-DLBZAZTESA-N 1 3 362.518 2.136 20 0 FEADHO CN(C)C(=O)N1CCC([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CC1 ZINC000284100808 551484076 /nfs/dbraw/zinc/48/40/76/551484076.db2.gz RZOIZVFXMAJGGB-UHFFFAOYSA-N 1 3 374.529 2.395 20 0 FEADHO C[NH+](C)CCOC1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000498326653 561522142 /nfs/dbraw/zinc/52/21/42/561522142.db2.gz WIZLXNBRIQIDEI-UHFFFAOYSA-N 1 3 373.541 2.468 20 0 FEADHO C[C@@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)C[NH+]1CCCC1 ZINC000286559555 551899839 /nfs/dbraw/zinc/89/98/39/551899839.db2.gz DSCFRHVWXIRHFG-KRWDZBQOSA-N 1 3 350.507 2.475 20 0 FEADHO COc1cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc(OC)c1O ZINC000290319284 552459544 /nfs/dbraw/zinc/45/95/44/552459544.db2.gz JLDQPZPASIEGCK-SFHVURJKSA-N 1 3 372.465 2.266 20 0 FEADHO COc1cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc(OC)c1O ZINC000290319284 552459546 /nfs/dbraw/zinc/45/95/46/552459546.db2.gz JLDQPZPASIEGCK-SFHVURJKSA-N 1 3 372.465 2.266 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cnn2ccc(C)cc12 ZINC000501045141 561588463 /nfs/dbraw/zinc/58/84/63/561588463.db2.gz NCHHHFFTDPLIFL-KRWDZBQOSA-N 1 3 357.502 2.131 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cnn2ccc(C)cc12 ZINC000501045141 561588464 /nfs/dbraw/zinc/58/84/64/561588464.db2.gz NCHHHFFTDPLIFL-KRWDZBQOSA-N 1 3 357.502 2.131 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000530273012 562404878 /nfs/dbraw/zinc/40/48/78/562404878.db2.gz JVQRVAQBVRXMQV-MOPGFXCFSA-N 1 3 351.535 2.303 20 0 FEADHO C[N@@H+]1CCC[C@]2(CCN(CCCCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000293060508 552784926 /nfs/dbraw/zinc/78/49/26/552784926.db2.gz URTNIFRWZRVPRC-NRFANRHFSA-N 1 3 355.482 2.481 20 0 FEADHO C[N@H+]1CCC[C@]2(CCN(CCCCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000293060508 552784928 /nfs/dbraw/zinc/78/49/28/552784928.db2.gz URTNIFRWZRVPRC-NRFANRHFSA-N 1 3 355.482 2.481 20 0 FEADHO C[C@H](OCCc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000294774378 552933428 /nfs/dbraw/zinc/93/34/28/552933428.db2.gz RILAHLDYCWOAFN-SFHVURJKSA-N 1 3 373.541 2.309 20 0 FEADHO CCCNC(=O)CCCN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000299401276 553558493 /nfs/dbraw/zinc/55/84/93/553558493.db2.gz UYEIHYJNRDAMQC-UHFFFAOYSA-N 1 3 360.546 2.042 20 0 FEADHO CCCNC(=O)CCCN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000299401276 553558496 /nfs/dbraw/zinc/55/84/96/553558496.db2.gz UYEIHYJNRDAMQC-UHFFFAOYSA-N 1 3 360.546 2.042 20 0 FEADHO COCC1(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000311809524 553755604 /nfs/dbraw/zinc/75/56/04/553755604.db2.gz OQOGBZMJQMMZTN-LJQANCHMSA-N 1 3 359.514 2.031 20 0 FEADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000506530976 561701253 /nfs/dbraw/zinc/70/12/53/561701253.db2.gz OWOHJLZWJMQQJM-PZJWPPBQSA-N 1 3 361.530 2.249 20 0 FEADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000506535795 561701372 /nfs/dbraw/zinc/70/13/72/561701372.db2.gz UYRRHHUDESSXPS-UNMCSNQZSA-N 1 3 373.541 2.346 20 0 FEADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000506535795 561701373 /nfs/dbraw/zinc/70/13/73/561701373.db2.gz UYRRHHUDESSXPS-UNMCSNQZSA-N 1 3 373.541 2.346 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000333096506 554571651 /nfs/dbraw/zinc/57/16/51/554571651.db2.gz DCPUVVBTESFSLW-VAMGGRTRSA-N 1 3 365.562 2.381 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)c(C)c2)CC1 ZINC000333126016 554576152 /nfs/dbraw/zinc/57/61/52/554576152.db2.gz IXSBXVNLMHIHPK-ZWKOTPCHSA-N 1 3 371.529 2.210 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)c(C)c2)CC1 ZINC000333132009 554577251 /nfs/dbraw/zinc/57/72/51/554577251.db2.gz JRUWBKGFBNHCQZ-XLIONFOSSA-N 1 3 371.529 2.353 20 0 FEADHO C[C@H]1CC2(CN1Cc1nc(-c3ccc4c(c3)OCO4)no1)CC[NH2+]CC2 ZINC000333237093 554592675 /nfs/dbraw/zinc/59/26/75/554592675.db2.gz AHBNQTDKUNHWTD-ZDUSSCGKSA-N 1 3 356.426 2.429 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)C[C@@H](C)O1 ZINC000333693705 554634194 /nfs/dbraw/zinc/63/41/94/554634194.db2.gz QASDOXUGLXRCNB-ZAWLATJESA-N 1 3 366.550 2.035 20 0 FEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333827503 554647324 /nfs/dbraw/zinc/64/73/24/554647324.db2.gz ITKBDNOXWFYUPJ-SUMDDJOVSA-N 1 3 351.535 2.384 20 0 FEADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000333942261 554658720 /nfs/dbraw/zinc/65/87/20/554658720.db2.gz PSZKICIQJGEYRO-CVEARBPZSA-N 1 3 354.564 2.259 20 0 FEADHO CC(C)(CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)N1CCc2ccccc2C1 ZINC000333946133 554659574 /nfs/dbraw/zinc/65/95/74/554659574.db2.gz UHWWGIHUWMUYSR-IPMKNSEASA-N 1 3 356.514 2.202 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C2=CCN(C)CC2)[C@@H](C)C1 ZINC000511271875 561863450 /nfs/dbraw/zinc/86/34/50/561863450.db2.gz GHYYTRJEOKJLTI-LNLFQRSKSA-N 1 3 366.550 2.073 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C2=CCN(C)CC2)[C@@H](C)C1 ZINC000511271875 561863453 /nfs/dbraw/zinc/86/34/53/561863453.db2.gz GHYYTRJEOKJLTI-LNLFQRSKSA-N 1 3 366.550 2.073 20 0 FEADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccncc1F ZINC000511475780 561870419 /nfs/dbraw/zinc/87/04/19/561870419.db2.gz PURFSUXTARPXPN-AWEZNQCLSA-N 1 3 363.481 2.140 20 0 FEADHO [NH3+]C1(C(=O)NC2CCN(Cc3ccsc3)CC2)Cc2ccccc2C1 ZINC000361722717 554931572 /nfs/dbraw/zinc/93/15/72/554931572.db2.gz BQKXFVSUOCLPHX-UHFFFAOYSA-N 1 3 355.507 2.325 20 0 FEADHO CN1CC[C@@H](CNC(=O)NCC2CC[NH+](C)CC2)[C@@H]1c1cccs1 ZINC000363251133 555063807 /nfs/dbraw/zinc/06/38/07/555063807.db2.gz ZOUJNNSERJDOEC-DOTOQJQBSA-N 1 3 350.532 2.382 20 0 FEADHO CC(C)[NH+](CCNC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C)C(C)C ZINC000363539758 555131895 /nfs/dbraw/zinc/13/18/95/555131895.db2.gz OPMPFHOPHMCADG-GUDVDZBRSA-N 1 3 368.566 2.294 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@]4(CCC[C@H]4[NH3+])C3)cc2)CC1 ZINC000364201478 555268588 /nfs/dbraw/zinc/26/85/88/555268588.db2.gz XGMYGNYZGWESJB-CTNGQTDRSA-N 1 3 356.514 2.172 20 0 FEADHO CN(CC[N@H+](C)C1CC1)C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000364273096 555282405 /nfs/dbraw/zinc/28/24/05/555282405.db2.gz NVBJYYLMESUEBQ-UHFFFAOYSA-N 1 3 350.532 2.448 20 0 FEADHO CN(CC[N@@H+](C)C1CC1)C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000364273096 555282406 /nfs/dbraw/zinc/28/24/06/555282406.db2.gz NVBJYYLMESUEBQ-UHFFFAOYSA-N 1 3 350.532 2.448 20 0 FEADHO CN1CC[C@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@@H]1c1cccs1 ZINC000364327619 555292128 /nfs/dbraw/zinc/29/21/28/555292128.db2.gz PGJMJKASXJMHTD-BFYDXBDKSA-N 1 3 350.532 2.477 20 0 FEADHO O=C(C[C@@H]1CCC[NH2+]CC1)NCc1ccccc1CN1CCC(O)CC1 ZINC000364466773 555319098 /nfs/dbraw/zinc/31/90/98/555319098.db2.gz MMPHOYZLVFEJTR-QGZVFWFLSA-N 1 3 359.514 2.039 20 0 FEADHO CC[NH+](CC)CC1CCN(C(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000512534840 561908562 /nfs/dbraw/zinc/90/85/62/561908562.db2.gz WHTAXQUKSMLLES-UHFFFAOYSA-N 1 3 362.518 2.216 20 0 FEADHO CC1CC[NH+](CCCCNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000364733171 555388506 /nfs/dbraw/zinc/38/85/06/555388506.db2.gz BNUYJLKWXZJGJW-SQGPQFPESA-N 1 3 351.535 2.147 20 0 FEADHO C[C@H]1C[C@H](CNC(=O)NCC2=CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000364848208 555414621 /nfs/dbraw/zinc/41/46/21/555414621.db2.gz BEVWIKOCJVZQIT-FXAWDEMLSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@H]1C[C@H](CNC(=O)NCC2=CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000364848208 555414625 /nfs/dbraw/zinc/41/46/25/555414625.db2.gz BEVWIKOCJVZQIT-FXAWDEMLSA-N 1 3 356.514 2.458 20 0 FEADHO Cc1ccc(OC(F)F)c(CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000531540331 562449038 /nfs/dbraw/zinc/44/90/38/562449038.db2.gz UAQPHSYTXQAPML-UHFFFAOYSA-N 1 3 372.460 2.231 20 0 FEADHO CC(C)C[NH+]1CCC(NC(=O)c2cnn(CCN3CCCCC3)c2)CC1 ZINC000365181151 555504211 /nfs/dbraw/zinc/50/42/11/555504211.db2.gz DTFBQLJFOBGVMX-UHFFFAOYSA-N 1 3 361.534 2.219 20 0 FEADHO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1O ZINC000365251582 555523322 /nfs/dbraw/zinc/52/33/22/555523322.db2.gz XZOSDGCDHCWHKM-FUHWJXTLSA-N 1 3 361.530 2.480 20 0 FEADHO CCCN1CCN(C2CCN(C(=O)C[C@@H](C)C3CC[NH2+]CC3)CC2)CC1 ZINC000366325246 555812420 /nfs/dbraw/zinc/81/24/20/555812420.db2.gz OYUBHZXJYUOCRL-GOSISDBHSA-N 1 3 364.578 2.031 20 0 FEADHO COc1cccc([C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)N2CCCC2)c1 ZINC000514194190 561963031 /nfs/dbraw/zinc/96/30/31/561963031.db2.gz WUMYLSAOYMTFCO-APWZRJJASA-N 1 3 362.518 2.472 20 0 FEADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1-n1ccnn1 ZINC000367615182 556097882 /nfs/dbraw/zinc/09/78/82/556097882.db2.gz KIANYOHMJAWUSS-SJORKVTESA-N 1 3 354.502 2.086 20 0 FEADHO C[NH+]1CCC([C@@H]2CCN(Cc3cnc(N4CCOCC4)s3)C2)CC1 ZINC000367689032 556115211 /nfs/dbraw/zinc/11/52/11/556115211.db2.gz QPJGPBRBLHHYFG-MRXNPFEDSA-N 1 3 350.532 2.143 20 0 FEADHO CNC(=O)C[C@@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000514955675 561988619 /nfs/dbraw/zinc/98/86/19/561988619.db2.gz BCDWODBQEUZJFW-IEBWSBKVSA-N 1 3 359.514 2.029 20 0 FEADHO CNC(=O)C[C@@H](C)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000514955675 561988620 /nfs/dbraw/zinc/98/86/20/561988620.db2.gz BCDWODBQEUZJFW-IEBWSBKVSA-N 1 3 359.514 2.029 20 0 FEADHO CNC(=O)C[C@@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000514955675 561988621 /nfs/dbraw/zinc/98/86/21/561988621.db2.gz BCDWODBQEUZJFW-IEBWSBKVSA-N 1 3 359.514 2.029 20 0 FEADHO CCOC(=O)CC(C)(C)CC[N@H+](C)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000367849724 556154099 /nfs/dbraw/zinc/15/40/99/556154099.db2.gz QABQLTVFORKKCE-GOSISDBHSA-N 1 3 353.551 2.456 20 0 FEADHO CCOC(=O)CC(C)(C)CC[N@@H+](C)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000367849724 556154100 /nfs/dbraw/zinc/15/41/00/556154100.db2.gz QABQLTVFORKKCE-GOSISDBHSA-N 1 3 353.551 2.456 20 0 FEADHO CCOC(=O)CC(C)(C)CCN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367849724 556154101 /nfs/dbraw/zinc/15/41/01/556154101.db2.gz QABQLTVFORKKCE-GOSISDBHSA-N 1 3 353.551 2.456 20 0 FEADHO CCOC(=O)CC(C)(C)CCN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367849724 556154102 /nfs/dbraw/zinc/15/41/02/556154102.db2.gz QABQLTVFORKKCE-GOSISDBHSA-N 1 3 353.551 2.456 20 0 FEADHO CN1CCN(CCC[NH2+][C@@H]2C[C@H](C3CC3)N(Cc3ccccc3)C2)CC1 ZINC000367894196 556166944 /nfs/dbraw/zinc/16/69/44/556166944.db2.gz BNQWIKVGYICGEU-FGZHOGPDSA-N 1 3 356.558 2.267 20 0 FEADHO C[C@H]1CN(CC2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000368313783 556275808 /nfs/dbraw/zinc/27/58/08/556275808.db2.gz APJYTTMOVIQALE-IRXDYDNUSA-N 1 3 351.535 2.066 20 0 FEADHO CN(C(=O)NC1CCN(C2CC2)CC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368697393 556389592 /nfs/dbraw/zinc/38/95/92/556389592.db2.gz VYPBSCZIZINXPC-UHFFFAOYSA-N 1 3 357.502 2.319 20 0 FEADHO CN1CCN(CC2(C)CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)CC1 ZINC000368832259 556425389 /nfs/dbraw/zinc/42/53/89/556425389.db2.gz DDDDULDVNFWQSM-NRFANRHFSA-N 1 3 359.558 2.330 20 0 FEADHO CN1CC[C@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)[C@H]1c1ccccc1 ZINC000515811127 562022473 /nfs/dbraw/zinc/02/24/73/562022473.db2.gz SXAQNEXAQAZPHA-UWHLTILDSA-N 1 3 364.493 2.487 20 0 FEADHO C[NH+](C)CC1CCN(C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000369196818 556532557 /nfs/dbraw/zinc/53/25/57/556532557.db2.gz OAQOQSVGMINIOX-HXUWFJFHSA-N 1 3 373.545 2.277 20 0 FEADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)C1 ZINC000369353977 556577485 /nfs/dbraw/zinc/57/74/85/556577485.db2.gz JSOWJKCJZUHAHQ-OAQYLSRUSA-N 1 3 370.541 2.134 20 0 FEADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)C1 ZINC000369353977 556577488 /nfs/dbraw/zinc/57/74/88/556577488.db2.gz JSOWJKCJZUHAHQ-OAQYLSRUSA-N 1 3 370.541 2.134 20 0 FEADHO CN(C[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000516175070 562034199 /nfs/dbraw/zinc/03/41/99/562034199.db2.gz CJUBLKNCESCCNP-SJLPKXTDSA-N 1 3 371.447 2.324 20 0 FEADHO C[N@H+](C[C@H](O)CN[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000516175070 562034200 /nfs/dbraw/zinc/03/42/00/562034200.db2.gz CJUBLKNCESCCNP-SJLPKXTDSA-N 1 3 371.447 2.324 20 0 FEADHO C[N@@H+](C[C@H](O)CN[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000516175070 562034202 /nfs/dbraw/zinc/03/42/02/562034202.db2.gz CJUBLKNCESCCNP-SJLPKXTDSA-N 1 3 371.447 2.324 20 0 FEADHO COCCCN1CCCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000369654511 556659633 /nfs/dbraw/zinc/65/96/33/556659633.db2.gz DJLPGDPGKKZFIJ-QGZVFWFLSA-N 1 3 356.555 2.107 20 0 FEADHO COCCCN1CCCN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000369658864 556660960 /nfs/dbraw/zinc/66/09/60/556660960.db2.gz RMQIDGNCBRZQTD-IBGZPJMESA-N 1 3 368.566 2.252 20 0 FEADHO COCCCN1CCCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000369658864 556660962 /nfs/dbraw/zinc/66/09/62/556660962.db2.gz RMQIDGNCBRZQTD-IBGZPJMESA-N 1 3 368.566 2.252 20 0 FEADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000369874190 556718671 /nfs/dbraw/zinc/71/86/71/556718671.db2.gz OTDXOOHAUCAVNK-QRVBRYPASA-N 1 3 366.550 2.003 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000370055317 556768901 /nfs/dbraw/zinc/76/89/01/556768901.db2.gz IKHFHQONVDWUHM-WOJBJXKFSA-N 1 3 373.545 2.419 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000370055317 556768904 /nfs/dbraw/zinc/76/89/04/556768904.db2.gz IKHFHQONVDWUHM-WOJBJXKFSA-N 1 3 373.545 2.419 20 0 FEADHO CC(C)CC(=O)N1CCC(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000370177308 556803760 /nfs/dbraw/zinc/80/37/60/556803760.db2.gz YBZXQYHRAINKOZ-VAMGGRTRSA-N 1 3 365.562 2.455 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000370303799 556835034 /nfs/dbraw/zinc/83/50/34/556835034.db2.gz VBBQDUQGISECEO-YZGWKJHDSA-N 1 3 373.545 2.275 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000370303799 556835036 /nfs/dbraw/zinc/83/50/36/556835036.db2.gz VBBQDUQGISECEO-YZGWKJHDSA-N 1 3 373.545 2.275 20 0 FEADHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000370369815 556853061 /nfs/dbraw/zinc/85/30/61/556853061.db2.gz LSRVBWDTCIBTAA-FXAWDEMLSA-N 1 3 373.545 2.116 20 0 FEADHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000370369815 556853064 /nfs/dbraw/zinc/85/30/64/556853064.db2.gz LSRVBWDTCIBTAA-FXAWDEMLSA-N 1 3 373.545 2.116 20 0 FEADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000516916074 562064641 /nfs/dbraw/zinc/06/46/41/562064641.db2.gz OGMZDNGJQGNZDV-OAQYLSRUSA-N 1 3 372.513 2.056 20 0 FEADHO C[C@@H]1C[C@@H](CNC(=O)N2CCN3CCC[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000371000654 557041319 /nfs/dbraw/zinc/04/13/19/557041319.db2.gz XFEMMHDPOYNHEJ-YZGWKJHDSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1C[C@@H](CNC(=O)N2CCN3CCC[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000371000654 557041325 /nfs/dbraw/zinc/04/13/25/557041325.db2.gz XFEMMHDPOYNHEJ-YZGWKJHDSA-N 1 3 356.514 2.387 20 0 FEADHO CCC[NH+]1CCC(NC(=O)NCC(C)(C)N2CCC(OC)CC2)CC1 ZINC000518083062 562104001 /nfs/dbraw/zinc/10/40/01/562104001.db2.gz JPDHZTORJWCJBG-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000371657303 557254202 /nfs/dbraw/zinc/25/42/02/557254202.db2.gz DNSXNIHKGYPSLE-CEXWTWQISA-N 1 3 366.550 2.051 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2CCCCCN2)c1 ZINC000372412814 557464731 /nfs/dbraw/zinc/46/47/31/557464731.db2.gz SZUROWZURWQHFE-GOSISDBHSA-N 1 3 360.502 2.229 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000519531347 562133722 /nfs/dbraw/zinc/13/37/22/562133722.db2.gz DWBKERZKUQIFQR-KXBFYZLASA-N 1 3 359.518 2.424 20 0 FEADHO COCC1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CC[NH2+]CC1 ZINC000519711317 562141032 /nfs/dbraw/zinc/14/10/32/562141032.db2.gz IZQPUQRLJYBCEC-UHFFFAOYSA-N 1 3 373.541 2.170 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CC4(CC4)C(=O)O3)CC2)C[C@H](C)O1 ZINC000373034283 557614343 /nfs/dbraw/zinc/61/43/43/557614343.db2.gz IBJXXIBQBVHDJA-SOLBZPMBSA-N 1 3 350.503 2.293 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)C1 ZINC000373184593 557646509 /nfs/dbraw/zinc/64/65/09/557646509.db2.gz FIBKSWDKZNLJLW-FCGDIQPGSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)C1 ZINC000373184593 557646511 /nfs/dbraw/zinc/64/65/11/557646511.db2.gz FIBKSWDKZNLJLW-FCGDIQPGSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000373357471 557678535 /nfs/dbraw/zinc/67/85/35/557678535.db2.gz CDPFEBFQQRLEPE-MSOLQXFVSA-N 1 3 363.546 2.353 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000373357471 557678538 /nfs/dbraw/zinc/67/85/38/557678538.db2.gz CDPFEBFQQRLEPE-MSOLQXFVSA-N 1 3 363.546 2.353 20 0 FEADHO Cn1cncc1CCCN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000520604203 562160060 /nfs/dbraw/zinc/16/00/60/562160060.db2.gz OHLAHXCMCFGWNW-UHFFFAOYSA-N 1 3 371.529 2.115 20 0 FEADHO Cc1ncc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C2CC2)n1 ZINC000374160875 557834545 /nfs/dbraw/zinc/83/45/45/557834545.db2.gz LNCPWJPBIKDQQP-UHFFFAOYSA-N 1 3 372.517 2.343 20 0 FEADHO COc1cccc(NC(=O)CCN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000374257060 557852621 /nfs/dbraw/zinc/85/26/21/557852621.db2.gz CBXDOYBIJZLADE-KRWDZBQOSA-N 1 3 374.529 2.124 20 0 FEADHO COc1cccc(NC(=O)CCN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000374257060 557852622 /nfs/dbraw/zinc/85/26/22/557852622.db2.gz CBXDOYBIJZLADE-KRWDZBQOSA-N 1 3 374.529 2.124 20 0 FEADHO COc1cccc(NC(=O)CCN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000374257060 557852623 /nfs/dbraw/zinc/85/26/23/557852623.db2.gz CBXDOYBIJZLADE-KRWDZBQOSA-N 1 3 374.529 2.124 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)CC1 ZINC000374330730 557866703 /nfs/dbraw/zinc/86/67/03/557866703.db2.gz XGAZOQDHUYJZGD-LJQANCHMSA-N 1 3 373.545 2.148 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)CC1 ZINC000374330730 557866705 /nfs/dbraw/zinc/86/67/05/557866705.db2.gz XGAZOQDHUYJZGD-LJQANCHMSA-N 1 3 373.545 2.148 20 0 FEADHO CCOCCCNC(=O)[C@@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374843884 557939706 /nfs/dbraw/zinc/93/97/06/557939706.db2.gz JXTACHYRSFENRB-QGZVFWFLSA-N 1 3 362.518 2.161 20 0 FEADHO CN1CC[C@@H](CNC(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H]1c1cccnc1 ZINC000375277683 558003040 /nfs/dbraw/zinc/00/30/40/558003040.db2.gz YABCQYVBEZMJTK-OALUTQOASA-N 1 3 373.545 2.496 20 0 FEADHO C(N1CC[C@@]2(C1)CCCOC2)C1(C[N@@H+]2CC[C@@]3(C2)CCCOC3)COC1 ZINC000375306032 558006858 /nfs/dbraw/zinc/00/68/58/558006858.db2.gz YQLLLVIOMSRAIN-WOJBJXKFSA-N 1 3 364.530 2.008 20 0 FEADHO C(N1CC[C@@]2(C1)CCCOC2)C1(C[N@H+]2CC[C@@]3(C2)CCCOC3)COC1 ZINC000375306032 558006860 /nfs/dbraw/zinc/00/68/60/558006860.db2.gz YQLLLVIOMSRAIN-WOJBJXKFSA-N 1 3 364.530 2.008 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000375345195 558012660 /nfs/dbraw/zinc/01/26/60/558012660.db2.gz PDSOHAGGZKGLAI-SQGPQFPESA-N 1 3 351.535 2.291 20 0 FEADHO CO[C@@H]1CCC[C@@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000376020901 558115008 /nfs/dbraw/zinc/11/50/08/558115008.db2.gz IIZFAQSEPBROHZ-VQIMIIECSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000521612663 562180428 /nfs/dbraw/zinc/18/04/28/562180428.db2.gz PDTLGGISWHWRBQ-DENIHFKCSA-N 1 3 368.525 2.348 20 0 FEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCN1CCCO[C@@H](C)C1)CC2 ZINC000376101959 558127352 /nfs/dbraw/zinc/12/73/52/558127352.db2.gz ZLVFIOMRKDIXPW-OTWHNJEPSA-N 1 3 366.550 2.144 20 0 FEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCN1CCCO[C@@H](C)C1)CC2 ZINC000376101959 558127354 /nfs/dbraw/zinc/12/73/54/558127354.db2.gz ZLVFIOMRKDIXPW-OTWHNJEPSA-N 1 3 366.550 2.144 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000376577137 558192911 /nfs/dbraw/zinc/19/29/11/558192911.db2.gz AGYNNQQVAPUJTH-LNLFQRSKSA-N 1 3 360.502 2.224 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000376577137 558192912 /nfs/dbraw/zinc/19/29/12/558192912.db2.gz AGYNNQQVAPUJTH-LNLFQRSKSA-N 1 3 360.502 2.224 20 0 FEADHO C[C@@H](C(=O)NC1CCC(C)CC1)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376800145 558223198 /nfs/dbraw/zinc/22/31/98/558223198.db2.gz XHBPNEPLQDXRJO-PAQOUXTFSA-N 1 3 364.578 2.170 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000522256670 562195174 /nfs/dbraw/zinc/19/51/74/562195174.db2.gz NEPZNVHNDAMGFC-XQBPLPMBSA-N 1 3 373.541 2.108 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000522256670 562195175 /nfs/dbraw/zinc/19/51/75/562195175.db2.gz NEPZNVHNDAMGFC-XQBPLPMBSA-N 1 3 373.541 2.108 20 0 FEADHO O=C(CCCN1CCN(c2ccccc2)CC1)NCCC[NH+]1CCCC1 ZINC000522593292 562200091 /nfs/dbraw/zinc/20/00/91/562200091.db2.gz MVRCKLQLDYLZCM-UHFFFAOYSA-N 1 3 358.530 2.191 20 0 FEADHO CCN(CC)[C@H](CNC(=O)[C@]1(CCOC)CC[NH2+]C1)c1ccsc1 ZINC000378208536 558502744 /nfs/dbraw/zinc/50/27/44/558502744.db2.gz HLGHCTPSSPPUHO-AEFFLSMTSA-N 1 3 353.532 2.263 20 0 FEADHO CN([C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000378295380 558522570 /nfs/dbraw/zinc/52/25/70/558522570.db2.gz PKJSWRIAUWJVAI-XLIONFOSSA-N 1 3 374.504 2.031 20 0 FEADHO CC(=O)N1CC[C@@H]([NH2+]CCCN2CCCN(C)CC2)c2ccccc2C1 ZINC000378502409 558571354 /nfs/dbraw/zinc/57/13/54/558571354.db2.gz YMPNJXOENRRCTG-OAQYLSRUSA-N 1 3 358.530 2.097 20 0 FEADHO C[NH+](C)CCC1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000523659857 562216820 /nfs/dbraw/zinc/21/68/20/562216820.db2.gz HCZBSBQQXSLSIZ-FQEVSTJZSA-N 1 3 358.530 2.484 20 0 FEADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390898235 558613409 /nfs/dbraw/zinc/61/34/09/558613409.db2.gz RDWQGGKHUCXWIB-MOPGFXCFSA-N 1 3 361.530 2.418 20 0 FEADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H]1C ZINC000409449251 558692454 /nfs/dbraw/zinc/69/24/54/558692454.db2.gz WKAFQPPUAXTCAZ-RDJZCZTQSA-N 1 3 353.532 2.242 20 0 FEADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@@H]1C ZINC000409449251 558692456 /nfs/dbraw/zinc/69/24/56/558692456.db2.gz WKAFQPPUAXTCAZ-RDJZCZTQSA-N 1 3 353.532 2.242 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000410411996 558756008 /nfs/dbraw/zinc/75/60/08/558756008.db2.gz XNXIDUWUZUSXLK-ZWKOTPCHSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000410411996 558756010 /nfs/dbraw/zinc/75/60/10/558756010.db2.gz XNXIDUWUZUSXLK-ZWKOTPCHSA-N 1 3 360.502 2.053 20 0 FEADHO Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)ccc1C[NH+](C)C ZINC000411218241 558854908 /nfs/dbraw/zinc/85/49/08/558854908.db2.gz XYEWHOGOADGYCO-GOSISDBHSA-N 1 3 372.513 2.128 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)[C@@H](C)C1 ZINC000411415864 558891226 /nfs/dbraw/zinc/89/12/26/558891226.db2.gz GWFDWBPKZYEVER-QFBILLFUSA-N 1 3 374.529 2.184 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)[C@@H](C)C1 ZINC000411415864 558891229 /nfs/dbraw/zinc/89/12/29/558891229.db2.gz GWFDWBPKZYEVER-QFBILLFUSA-N 1 3 374.529 2.184 20 0 FEADHO CO[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(Cl)c1 ZINC000525817344 562255977 /nfs/dbraw/zinc/25/59/77/562255977.db2.gz IZAOCYSLZKRABB-KRWDZBQOSA-N 1 3 370.925 2.162 20 0 FEADHO COC(=O)[C@H]1CN(C)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411912788 558986890 /nfs/dbraw/zinc/98/68/90/558986890.db2.gz IPMWWAQBDRARGX-FQEVSTJZSA-N 1 3 359.514 2.209 20 0 FEADHO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000412113127 559015054 /nfs/dbraw/zinc/01/50/54/559015054.db2.gz XERSQIYXKDRNDH-ZWKOTPCHSA-N 1 3 351.560 2.291 20 0 FEADHO Cc1ccc(-n2cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cn2)c(C)c1 ZINC000526962804 562270928 /nfs/dbraw/zinc/27/09/28/562270928.db2.gz MNPMBFYJJOXOOQ-UHFFFAOYSA-N 1 3 372.517 2.446 20 0 FEADHO CN1CCC(C[NH2+][C@@H]2CCCc3ccc(O)cc32)(N2CCOCC2)CC1 ZINC000414181670 559151727 /nfs/dbraw/zinc/15/17/27/559151727.db2.gz CGDWITWCMMMIRC-HXUWFJFHSA-N 1 3 359.514 2.156 20 0 FEADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414190507 559152238 /nfs/dbraw/zinc/15/22/38/559152238.db2.gz KNTSDVPZWHDLGS-NRFANRHFSA-N 1 3 373.541 2.459 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000414732476 559183031 /nfs/dbraw/zinc/18/30/31/559183031.db2.gz BTRLCSWASRNSNT-MRXNPFEDSA-N 1 3 374.529 2.361 20 0 FEADHO COc1ccc(CCC(=O)N2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000414754325 559185196 /nfs/dbraw/zinc/18/51/96/559185196.db2.gz XOBSBSLBESAZQU-PKOBYXMFSA-N 1 3 359.514 2.160 20 0 FEADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000414874544 559192114 /nfs/dbraw/zinc/19/21/14/559192114.db2.gz YMLATMBIRFWXHH-OAHLLOKOSA-N 1 3 368.481 2.329 20 0 FEADHO CCOc1cc(CNC[C@@H](C)C[NH3+])ccc1OCC(=O)N1CCCCC1 ZINC000414884099 559193045 /nfs/dbraw/zinc/19/30/45/559193045.db2.gz VMIQRLBTFMYKOS-INIZCTEOSA-N 1 3 363.502 2.161 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)cc1 ZINC000414896865 559193918 /nfs/dbraw/zinc/19/39/18/559193918.db2.gz AMGPMASPOHYMES-KSSFIOAISA-N 1 3 358.486 2.026 20 0 FEADHO FC(F)Oc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414972471 559198128 /nfs/dbraw/zinc/19/81/28/559198128.db2.gz JIMCTBHKGZHSPP-CYBMUJFWSA-N 1 3 353.335 2.214 20 0 FEADHO COCC1(CNCc2cc(Br)cc3c2OCC3)CC[NH2+]CC1 ZINC000414974178 559198171 /nfs/dbraw/zinc/19/81/71/559198171.db2.gz LYMMZCVVXPYTGL-UHFFFAOYSA-N 1 3 369.303 2.490 20 0 FEADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415063628 559203267 /nfs/dbraw/zinc/20/32/67/559203267.db2.gz AQUHLEHHFRXOTG-NVXWUHKLSA-N 1 3 362.543 2.479 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415073481 559203893 /nfs/dbraw/zinc/20/38/93/559203893.db2.gz YOGWUKKRRNAGHX-QZTJIDSGSA-N 1 3 374.554 2.351 20 0 FEADHO COc1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc2c1OCCO2 ZINC000415122424 559206533 /nfs/dbraw/zinc/20/65/33/559206533.db2.gz JZTPHLKYRNOYGV-DLBZAZTESA-N 1 3 362.470 2.185 20 0 FEADHO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)nn1 ZINC000415131380 559206924 /nfs/dbraw/zinc/20/69/24/559206924.db2.gz SDAGJIYIQCJWIU-AWEZNQCLSA-N 1 3 355.364 2.473 20 0 FEADHO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)nn1 ZINC000415139554 559208017 /nfs/dbraw/zinc/20/80/17/559208017.db2.gz ZWASNHNRWUOJSG-QUCCMNQESA-N 1 3 371.485 2.132 20 0 FEADHO [NH3+]CC1(O)CCN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000415143547 559208658 /nfs/dbraw/zinc/20/86/58/559208658.db2.gz SLBOEEUUGMRIJE-UHFFFAOYSA-N 1 3 363.465 2.220 20 0 FEADHO CCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415228168 559216585 /nfs/dbraw/zinc/21/65/85/559216585.db2.gz XXWBXKMHHRHSDX-INIZCTEOSA-N 1 3 360.502 2.369 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccsc2)cc1 ZINC000415279483 559220595 /nfs/dbraw/zinc/22/05/95/559220595.db2.gz HSIGIXVRWCLMHT-CQSZACIVSA-N 1 3 374.510 2.297 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H](N)c2ccccc2)c1 ZINC000415394383 559230746 /nfs/dbraw/zinc/23/07/46/559230746.db2.gz QHOFDWQMGFFOJJ-IBGZPJMESA-N 1 3 368.481 2.283 20 0 FEADHO CCCN(C(=O)C(=O)Nc1cccc(CN(CC)CC)c1)[C@@H]1CC[NH2+]C1 ZINC000415409610 559232675 /nfs/dbraw/zinc/23/26/75/559232675.db2.gz TZPIIRPVEKCIIR-GOSISDBHSA-N 1 3 360.502 2.067 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC(CC[NH2+]C)CC2)c1 ZINC000415559195 559249500 /nfs/dbraw/zinc/24/95/00/559249500.db2.gz ZHLPYYPGSLHDOR-UHFFFAOYSA-N 1 3 374.529 2.315 20 0 FEADHO C[NH2+]Cc1cccc(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000415921383 559282617 /nfs/dbraw/zinc/28/26/17/559282617.db2.gz RFGGUBPGFARRON-NRFANRHFSA-N 1 3 368.481 2.165 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(F)(F)F ZINC000415994274 559287791 /nfs/dbraw/zinc/28/77/91/559287791.db2.gz LBEPPCLLPJRMMB-HUUCEWRRSA-N 1 3 358.408 2.230 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)CN1Cc1ccccc1 ZINC000416010267 559289131 /nfs/dbraw/zinc/28/91/31/559289131.db2.gz QAIOKOWEGFAHSD-BPLDGKMQSA-N 1 3 358.408 2.228 20 0 FEADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1CC1 ZINC000416036140 559290140 /nfs/dbraw/zinc/29/01/40/559290140.db2.gz XNPNAWGWHPFDJE-HOTGVXAUSA-N 1 3 372.435 2.476 20 0 FEADHO COc1cnccc1N1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416228483 559299792 /nfs/dbraw/zinc/29/97/92/559299792.db2.gz RUSXDBVPNNFONK-IBGZPJMESA-N 1 3 368.481 2.432 20 0 FEADHO [NH3+]CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416840298 559334687 /nfs/dbraw/zinc/33/46/87/559334687.db2.gz LACYRDJOMWNHET-HXUWFJFHSA-N 1 3 352.482 2.431 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+])c1ccccc1 ZINC000416848872 559335156 /nfs/dbraw/zinc/33/51/56/559335156.db2.gz XGGSTSVZPKHHQH-IPMKNSEASA-N 1 3 362.518 2.217 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1cccc(OC)c1 ZINC000416928603 559338813 /nfs/dbraw/zinc/33/88/13/559338813.db2.gz VAAZLIUBUSVHFG-QWFCFKBJSA-N 1 3 374.529 2.329 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1cccc(OC)c1 ZINC000416928606 559338890 /nfs/dbraw/zinc/33/88/90/559338890.db2.gz VAAZLIUBUSVHFG-WSTZPKSXSA-N 1 3 374.529 2.329 20 0 FEADHO O=C(NCC[C@@H]1CCC[NH2+]C1)NC1CCN(CCc2ccccc2)CC1 ZINC000416972894 559341206 /nfs/dbraw/zinc/34/12/06/559341206.db2.gz IXZGDEMODRFZIU-IBGZPJMESA-N 1 3 358.530 2.382 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000416978407 559341680 /nfs/dbraw/zinc/34/16/80/559341680.db2.gz QYLSPIBWJWMGOW-OAQYLSRUSA-N 1 3 356.514 2.089 20 0 FEADHO C[C@@H]([NH3+])C1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000416980447 559341784 /nfs/dbraw/zinc/34/17/84/559341784.db2.gz UGJXHEHYLWKHIT-QGZVFWFLSA-N 1 3 358.530 2.462 20 0 FEADHO C[NH2+]C[C@H]1CCCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000417088152 559347301 /nfs/dbraw/zinc/34/73/01/559347301.db2.gz JJTZVLBQFKRAAB-QGZVFWFLSA-N 1 3 358.530 2.464 20 0 FEADHO CC(C)(CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCc2ccccc2C1 ZINC000417089076 559347328 /nfs/dbraw/zinc/34/73/28/559347328.db2.gz MYRPVQUCFFZWLA-RBUKOAKNSA-N 1 3 356.514 2.074 20 0 FEADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000417148583 559350025 /nfs/dbraw/zinc/35/00/25/559350025.db2.gz HCRJZTALLCLJAC-RBUKOAKNSA-N 1 3 373.545 2.015 20 0 FEADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417309814 559357010 /nfs/dbraw/zinc/35/70/10/559357010.db2.gz KHEAWDKBNLGCKQ-AABGKKOBSA-N 1 3 356.514 2.292 20 0 FEADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417314084 559357227 /nfs/dbraw/zinc/35/72/27/559357227.db2.gz YBXRCSKOMJUTEC-AABGKKOBSA-N 1 3 356.514 2.292 20 0 FEADHO COc1ccc(C[NH+]2CCC(CNC(=O)N3CCN[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000417330789 559357846 /nfs/dbraw/zinc/35/78/46/559357846.db2.gz LJUQUVXCSORBDA-IRXDYDNUSA-N 1 3 374.529 2.299 20 0 FEADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000417385361 559360306 /nfs/dbraw/zinc/36/03/06/559360306.db2.gz RJHOHTMHSMTYOQ-INIZCTEOSA-N 1 3 350.532 2.354 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CCC(C[NH3+])CC1)c1ccccc1 ZINC000417515278 559365517 /nfs/dbraw/zinc/36/55/17/559365517.db2.gz LGLOJLIKLIOHEI-IBGZPJMESA-N 1 3 362.518 2.076 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000417550443 559366674 /nfs/dbraw/zinc/36/66/74/559366674.db2.gz VNCWDFRYEQXDHR-UHFFFAOYSA-N 1 3 354.539 2.227 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417604575 559369175 /nfs/dbraw/zinc/36/91/75/559369175.db2.gz CCOTVWJHOSHYEE-QGZVFWFLSA-N 1 3 366.575 2.274 20 0 FEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417674243 559371849 /nfs/dbraw/zinc/37/18/49/559371849.db2.gz YBDRCLDMZUYVGT-ZCNNSNEGSA-N 1 3 356.514 2.292 20 0 FEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418031155 559387197 /nfs/dbraw/zinc/38/71/97/559387197.db2.gz KOIODMAODBZXSZ-AQNXPRMDSA-N 1 3 358.530 2.394 20 0 FEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418031154 559387200 /nfs/dbraw/zinc/38/72/00/559387200.db2.gz KOIODMAODBZXSZ-AABGKKOBSA-N 1 3 358.530 2.394 20 0 FEADHO C[NH+](C)CCc1ccc(CNC(=O)NC[C@H]2NCCc3ccccc32)cc1 ZINC000418061960 559388637 /nfs/dbraw/zinc/38/86/37/559388637.db2.gz YNXKAMNEIUIDNY-OAQYLSRUSA-N 1 3 366.509 2.477 20 0 FEADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418153540 559392064 /nfs/dbraw/zinc/39/20/64/559392064.db2.gz IYUSIORFUXYDCD-QYZOEREBSA-N 1 3 356.514 2.290 20 0 FEADHO CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418165808 559392611 /nfs/dbraw/zinc/39/26/11/559392611.db2.gz IXEXXZJSERJRQX-QGZVFWFLSA-N 1 3 362.518 2.332 20 0 FEADHO C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000418165891 559392677 /nfs/dbraw/zinc/39/26/77/559392677.db2.gz JFCRUNDBRDVFFQ-KRWDZBQOSA-N 1 3 360.502 2.053 20 0 FEADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)c1ccco1 ZINC000418167795 559392774 /nfs/dbraw/zinc/39/27/74/559392774.db2.gz NHZAFIXJSGKTRN-NVXWUHKLSA-N 1 3 366.506 2.248 20 0 FEADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418173897 559393000 /nfs/dbraw/zinc/39/30/00/559393000.db2.gz TXXIQUYHWYWWLM-KRWDZBQOSA-N 1 3 360.502 2.053 20 0 FEADHO CCc1ccccc1[C@H](N)CNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000418193595 559393612 /nfs/dbraw/zinc/39/36/12/559393612.db2.gz CBYJOIUJHAJRME-QGZVFWFLSA-N 1 3 364.559 2.375 20 0 FEADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418212382 559394154 /nfs/dbraw/zinc/39/41/54/559394154.db2.gz UYNQECAAAHMHSP-CRAIPNDOSA-N 1 3 350.507 2.231 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N(C)C2CC[NH2+]CC2)N(C)C)cc1 ZINC000418230247 559394698 /nfs/dbraw/zinc/39/46/98/559394698.db2.gz IYOYBSDXXHXOAD-KRWDZBQOSA-N 1 3 350.532 2.405 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2CCC(C[NH3+])CC2)N(C)C)cc1 ZINC000418231266 559394788 /nfs/dbraw/zinc/39/47/88/559394788.db2.gz KWDMTBNUWOOBIK-QGZVFWFLSA-N 1 3 350.532 2.392 20 0 FEADHO CC1CCC(N2CCN(C(=O)NCCC[NH2+]Cc3cccnc3)CC2)CC1 ZINC000418343238 559398353 /nfs/dbraw/zinc/39/83/53/559398353.db2.gz QZHRMGUIDYXPRC-UHFFFAOYSA-N 1 3 373.545 2.467 20 0 FEADHO N[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000418460177 559402671 /nfs/dbraw/zinc/40/26/71/559402671.db2.gz ZXCXYLYRYPIPIE-IPELMVKDSA-N 1 3 374.435 2.410 20 0 FEADHO [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418640202 559409080 /nfs/dbraw/zinc/40/90/80/559409080.db2.gz QIRVEARYDSETTP-FQEVSTJZSA-N 1 3 352.482 2.086 20 0 FEADHO O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CCN2CCC1CC2 ZINC000418724089 559412502 /nfs/dbraw/zinc/41/25/02/559412502.db2.gz JNROEPPAKUICEF-APWZRJJASA-N 1 3 360.477 2.008 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN(C)C(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000419364160 559439723 /nfs/dbraw/zinc/43/97/23/559439723.db2.gz DLSDVBLPGCKVHB-IBGZPJMESA-N 1 3 360.546 2.212 20 0 FEADHO COc1ccc([C@H](C[NH3+])CN(C)C2CCN(c3cccnn3)CC2)cc1 ZINC000420316196 559479864 /nfs/dbraw/zinc/47/98/64/559479864.db2.gz LOPHXQZMMVKFEB-QGZVFWFLSA-N 1 3 355.486 2.128 20 0 FEADHO CCCOc1ccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420329207 559481126 /nfs/dbraw/zinc/48/11/26/559481126.db2.gz NZJQAZASBKZUDJ-RTBURBONSA-N 1 3 359.514 2.413 20 0 FEADHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420332189 559481216 /nfs/dbraw/zinc/48/12/16/559481216.db2.gz RLTLIAINZUHQRQ-CQSZACIVSA-N 1 3 351.878 2.356 20 0 FEADHO NC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420332189 559481217 /nfs/dbraw/zinc/48/12/17/559481217.db2.gz RLTLIAINZUHQRQ-CQSZACIVSA-N 1 3 351.878 2.356 20 0 FEADHO NC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420332189 559481218 /nfs/dbraw/zinc/48/12/18/559481218.db2.gz RLTLIAINZUHQRQ-CQSZACIVSA-N 1 3 351.878 2.356 20 0 FEADHO CC(=O)c1ccc(NC(=O)CCN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000420377041 559483840 /nfs/dbraw/zinc/48/38/40/559483840.db2.gz KNGJFYDHBUCGMJ-TZIWHRDSSA-N 1 3 373.497 2.436 20 0 FEADHO CC(=O)c1ccc(NC(=O)CCN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000420396661 559485290 /nfs/dbraw/zinc/48/52/90/559485290.db2.gz VVTWUYRZDZLODV-AZUAARDMSA-N 1 3 373.497 2.436 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CC[NH2+]C[C@H]1c1ccccc1)c1ccccc1 ZINC000420416280 559486607 /nfs/dbraw/zinc/48/66/07/559486607.db2.gz VRJGCXJGNSMADL-SFTDATJTSA-N 1 3 366.509 2.052 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N[C@H](C)c3ccccc3)CC2)CC1 ZINC000420986754 559517751 /nfs/dbraw/zinc/51/77/51/559517751.db2.gz YUGCNCVWLRPHJA-LJQANCHMSA-N 1 3 372.557 2.356 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)N[C@H](C)c3ccccc3)CC2)CC1 ZINC000420986754 559517752 /nfs/dbraw/zinc/51/77/52/559517752.db2.gz YUGCNCVWLRPHJA-LJQANCHMSA-N 1 3 372.557 2.356 20 0 FEADHO C[C@@H]1CCCN(S(=O)(=O)c2ccc(CN[C@@H]3CCC[C@H]3C[NH3+])cc2)C1 ZINC000422697708 559603250 /nfs/dbraw/zinc/60/32/50/559603250.db2.gz VTYIDZDGYWZUGE-HHXXYDBFSA-N 1 3 365.543 2.324 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422758168 559605726 /nfs/dbraw/zinc/60/57/26/559605726.db2.gz JCVGQFIRSABBJN-XGUBFFRZSA-N 1 3 355.429 2.209 20 0 FEADHO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000422904740 559610531 /nfs/dbraw/zinc/61/05/31/559610531.db2.gz QNEDNJFEXIVRCP-QZTJIDSGSA-N 1 3 353.532 2.465 20 0 FEADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2)CCO1 ZINC000422904728 559610622 /nfs/dbraw/zinc/61/06/22/559610622.db2.gz QMULFSQXBHVNLH-XYEHWOGUSA-N 1 3 373.541 2.154 20 0 FEADHO CC(C)[NH+]1CCN(c2cccc(N[C@@H](C3CC3)[C@@H]3CNCCO3)c2)CC1 ZINC000423023854 559615438 /nfs/dbraw/zinc/61/54/38/559615438.db2.gz IGZIQJVNACGVOA-SFTDATJTSA-N 1 3 358.530 2.396 20 0 FEADHO OC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Cc1cc(F)c(F)c(F)c1 ZINC000423072108 559617288 /nfs/dbraw/zinc/61/72/88/559617288.db2.gz GTJKTJHPPBZXEC-DFEHZGFQSA-N 1 3 372.431 2.002 20 0 FEADHO c1ccc(CN2CCCO[C@H](CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423070998 559617343 /nfs/dbraw/zinc/61/73/43/559617343.db2.gz DTXSRVOXQREBGY-GXRSIYKFSA-N 1 3 373.541 2.024 20 0 FEADHO COC[C@@H](CCC[NH3+])NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000423080467 559617914 /nfs/dbraw/zinc/61/79/14/559617914.db2.gz BQAQECUGYGQZGW-OAHLLOKOSA-N 1 3 367.291 2.478 20 0 FEADHO COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CCC[C@H]2CN)cc1Br ZINC000423168504 559621632 /nfs/dbraw/zinc/62/16/32/559621632.db2.gz YDGCMTLIRLCJPE-OFQRWUPVSA-N 1 3 371.319 2.326 20 0 FEADHO COc1ccc(C[C@H](CO)CN[C@@H]2CCC[C@H]2C[NH3+])cc1Br ZINC000423168504 559621633 /nfs/dbraw/zinc/62/16/33/559621633.db2.gz YDGCMTLIRLCJPE-OFQRWUPVSA-N 1 3 371.319 2.326 20 0 FEADHO CC(C)(CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)S(C)(=O)=O ZINC000423190952 559622434 /nfs/dbraw/zinc/62/24/34/559622434.db2.gz SEXMCWUQKSPLCZ-YJBOKZPZSA-N 1 3 352.500 2.045 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000423348231 559626303 /nfs/dbraw/zinc/62/63/03/559626303.db2.gz SKFRAYUUZGXBRG-FUHWJXTLSA-N 1 3 355.486 2.218 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3[NH2+]CCCC3(C)C)CC2)C[C@H](C)O1 ZINC000423363721 559626698 /nfs/dbraw/zinc/62/66/98/559626698.db2.gz VBMYHVVXDWKIBM-SOLBZPMBSA-N 1 3 351.535 2.112 20 0 FEADHO CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000423383382 559627298 /nfs/dbraw/zinc/62/72/98/559627298.db2.gz POVXIQWFQBLIKS-LJQANCHMSA-N 1 3 359.514 2.038 20 0 FEADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)OCCCO2 ZINC000423388883 559627491 /nfs/dbraw/zinc/62/74/91/559627491.db2.gz NBEOCWMBVWBACC-SUMWQHHRSA-N 1 3 373.419 2.335 20 0 FEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000423743406 559637863 /nfs/dbraw/zinc/63/78/63/559637863.db2.gz MEYAWDUMIJAFRT-KRWDZBQOSA-N 1 3 355.486 2.211 20 0 FEADHO CO[C@H](CN)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000423769007 559638943 /nfs/dbraw/zinc/63/89/43/559638943.db2.gz XXDCZQXYPGZYKG-OAHLLOKOSA-N 1 3 362.301 2.247 20 0 FEADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3cccc(C(=O)NCCN(C)C)c3)C[C@H]2C1 ZINC000424262443 559659693 /nfs/dbraw/zinc/65/96/93/559659693.db2.gz DKRXBPDATLEJEX-FGYAAKKASA-N 1 3 359.514 2.271 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425747220 559717433 /nfs/dbraw/zinc/71/74/33/559717433.db2.gz VHOHOWHJUCENSC-FRYIKTPZSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425747220 559717434 /nfs/dbraw/zinc/71/74/34/559717434.db2.gz VHOHOWHJUCENSC-FRYIKTPZSA-N 1 3 356.514 2.243 20 0 FEADHO O=C(C[C@@H]1CCC[NH2+]CC1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000427268315 559751848 /nfs/dbraw/zinc/75/18/48/559751848.db2.gz ALLHPTBCXLLXSJ-HXUWFJFHSA-N 1 3 372.557 2.485 20 0 FEADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427305699 559752921 /nfs/dbraw/zinc/75/29/21/559752921.db2.gz WPHHPHWMDQSAOM-SJLPKXTDSA-N 1 3 372.513 2.102 20 0 FEADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430589573 559823771 /nfs/dbraw/zinc/82/37/71/559823771.db2.gz FAOJBVSSWGIYTL-LPHOPBHVSA-N 1 3 362.493 2.066 20 0 FEADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430589573 559823772 /nfs/dbraw/zinc/82/37/72/559823772.db2.gz FAOJBVSSWGIYTL-LPHOPBHVSA-N 1 3 362.493 2.066 20 0 FEADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccccc2Oc2cccnc2)C1 ZINC000430641757 559825602 /nfs/dbraw/zinc/82/56/02/559825602.db2.gz UDABBXAAWBUEJC-KRWDZBQOSA-N 1 3 354.454 2.161 20 0 FEADHO N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000430680184 559826237 /nfs/dbraw/zinc/82/62/37/559826237.db2.gz OBDWNCMMZXOPBT-FQEVSTJZSA-N 1 3 353.466 2.152 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC(F)(F)C1 ZINC000431082336 559833669 /nfs/dbraw/zinc/83/36/69/559833669.db2.gz ULYDAUMNKVOVIR-HOTGVXAUSA-N 1 3 360.493 2.479 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC(F)(F)C1 ZINC000431082336 559833670 /nfs/dbraw/zinc/83/36/70/559833670.db2.gz ULYDAUMNKVOVIR-HOTGVXAUSA-N 1 3 360.493 2.479 20 0 FEADHO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000431155016 559835020 /nfs/dbraw/zinc/83/50/20/559835020.db2.gz AYLSMWCLXKGOGG-HNNXBMFYSA-N 1 3 350.511 2.310 20 0 FEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000431155016 559835021 /nfs/dbraw/zinc/83/50/21/559835021.db2.gz AYLSMWCLXKGOGG-HNNXBMFYSA-N 1 3 350.511 2.310 20 0 FEADHO CN(C)[C@@H](CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000431785875 559845966 /nfs/dbraw/zinc/84/59/66/559845966.db2.gz QHSKKKQLUXKCII-PXNSSMCTSA-N 1 3 359.514 2.297 20 0 FEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000431806034 559846293 /nfs/dbraw/zinc/84/62/93/559846293.db2.gz YRZWVGSRKCHJEY-WOJBJXKFSA-N 1 3 359.514 2.134 20 0 FEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000431806034 559846294 /nfs/dbraw/zinc/84/62/94/559846294.db2.gz YRZWVGSRKCHJEY-WOJBJXKFSA-N 1 3 359.514 2.134 20 0 FEADHO COc1cc(CN2CCC[C@H]2CCO)cc(C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000432785475 559865049 /nfs/dbraw/zinc/86/50/49/559865049.db2.gz LNFSLUGAQWOEEM-PMACEKPBSA-N 1 3 362.514 2.389 20 0 FEADHO COc1cc(CN2CCC[C@H]2CCO)cc(C[N@H+]2CCC[C@H]2CCO)c1 ZINC000432785475 559865050 /nfs/dbraw/zinc/86/50/50/559865050.db2.gz LNFSLUGAQWOEEM-PMACEKPBSA-N 1 3 362.514 2.389 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NCCC[NH2+]C2CCCCC2)CCCO1 ZINC000433464408 559882303 /nfs/dbraw/zinc/88/23/03/559882303.db2.gz WODFTQWRIJDXJW-QGZVFWFLSA-N 1 3 354.539 2.099 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000433872088 559889317 /nfs/dbraw/zinc/88/93/17/559889317.db2.gz GNORFYJMBSRQQC-GOSISDBHSA-N 1 3 365.543 2.101 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cn(C)nc1C(C)C ZINC000435079781 559915813 /nfs/dbraw/zinc/91/58/13/559915813.db2.gz OEYWZKNZEGRBFU-INIZCTEOSA-N 1 3 364.538 2.423 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cn(C)nc1C(C)C ZINC000435079781 559915814 /nfs/dbraw/zinc/91/58/14/559915814.db2.gz OEYWZKNZEGRBFU-INIZCTEOSA-N 1 3 364.538 2.423 20 0 FEADHO CN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435619930 559926368 /nfs/dbraw/zinc/92/63/68/559926368.db2.gz XPYSBYUMSCODKB-KRWDZBQOSA-N 1 3 358.486 2.216 20 0 FEADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436298680 559939273 /nfs/dbraw/zinc/93/92/73/559939273.db2.gz ZTVQXBJBKKCLPY-DENIHFKCSA-N 1 3 370.541 2.095 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cn(C)nc1-c1ccccc1 ZINC000527381725 562287147 /nfs/dbraw/zinc/28/71/47/562287147.db2.gz QGSRZHQPIVEUSF-UHFFFAOYSA-N 1 3 358.490 2.044 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437718352 559968433 /nfs/dbraw/zinc/96/84/33/559968433.db2.gz CEYPBTGAYFCWEU-OALUTQOASA-N 1 3 366.550 2.194 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437718352 559968434 /nfs/dbraw/zinc/96/84/34/559968434.db2.gz CEYPBTGAYFCWEU-OALUTQOASA-N 1 3 366.550 2.194 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439845125 560000766 /nfs/dbraw/zinc/00/07/66/560000766.db2.gz XGKLDXBNNBBNIC-GOSISDBHSA-N 1 3 351.535 2.399 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439845125 560000767 /nfs/dbraw/zinc/00/07/67/560000767.db2.gz XGKLDXBNNBBNIC-GOSISDBHSA-N 1 3 351.535 2.399 20 0 FEADHO COCCN1CC[C@H](NC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000441042756 560022090 /nfs/dbraw/zinc/02/20/90/560022090.db2.gz RFZXBLPIVUONBL-SFHVURJKSA-N 1 3 366.550 2.053 20 0 FEADHO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443057850 560068338 /nfs/dbraw/zinc/06/83/38/560068338.db2.gz IJDDTCDXWNQUGW-XHSDSOJGSA-N 1 3 363.502 2.330 20 0 FEADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](CC)N2CCc3ccccc3C2)C1(C)C ZINC000444193204 560105094 /nfs/dbraw/zinc/10/50/94/560105094.db2.gz ZYMVOUHEKKRNAA-JQVVWYNYSA-N 1 3 373.541 2.472 20 0 FEADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](CC)N2CCc3ccccc3C2)C1(C)C ZINC000444193211 560105216 /nfs/dbraw/zinc/10/52/16/560105216.db2.gz ZYMVOUHEKKRNAA-NNMXDRDESA-N 1 3 373.541 2.472 20 0 FEADHO CCC[C@]1(CO)CCCN1CC1(C[N@@H+]2CCC[C@@]2(CO)CCC)COC1 ZINC000444768205 560120208 /nfs/dbraw/zinc/12/02/08/560120208.db2.gz SQIINKAVTQBTLD-NHCUHLMSSA-N 1 3 368.562 2.257 20 0 FEADHO CCC[C@]1(CO)CCCN1CC1(C[N@H+]2CCC[C@@]2(CO)CCC)COC1 ZINC000444768205 560120209 /nfs/dbraw/zinc/12/02/09/560120209.db2.gz SQIINKAVTQBTLD-NHCUHLMSSA-N 1 3 368.562 2.257 20 0 FEADHO C[C@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)N1CCCC[C@H]1C ZINC000445545948 560132767 /nfs/dbraw/zinc/13/27/67/560132767.db2.gz BMFUQYAOEWHHMG-IAGOWNOFSA-N 1 3 374.529 2.108 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCSc1ccccn1 ZINC000446132405 560140426 /nfs/dbraw/zinc/14/04/26/560140426.db2.gz VOOMHTKYWHHOEO-QGZVFWFLSA-N 1 3 364.559 2.438 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCSc1ccccn1 ZINC000446132405 560140427 /nfs/dbraw/zinc/14/04/27/560140427.db2.gz VOOMHTKYWHHOEO-QGZVFWFLSA-N 1 3 364.559 2.438 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000449733805 560238484 /nfs/dbraw/zinc/23/84/84/560238484.db2.gz KHIZVMFBGPNGMY-AZUAARDMSA-N 1 3 356.514 2.041 20 0 FEADHO C[C@H]1CN(CCCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCCO1 ZINC000451190686 560292302 /nfs/dbraw/zinc/29/23/02/560292302.db2.gz YHHSHALEBHSXHA-HKUYNNGSSA-N 1 3 351.535 2.401 20 0 FEADHO C[C@H]1CN(CCCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCCO1 ZINC000451190686 560292303 /nfs/dbraw/zinc/29/23/03/560292303.db2.gz YHHSHALEBHSXHA-HKUYNNGSSA-N 1 3 351.535 2.401 20 0 FEADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(C[C@@H](O)CC3CCCC3)C2)CC1 ZINC000451532424 560312593 /nfs/dbraw/zinc/31/25/93/560312593.db2.gz TUQADQKWWUDQPM-RTWAWAEBSA-N 1 3 365.562 2.194 20 0 FEADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(C[C@@H](O)CC3CCCC3)C2)CC1 ZINC000451532424 560312594 /nfs/dbraw/zinc/31/25/94/560312594.db2.gz TUQADQKWWUDQPM-RTWAWAEBSA-N 1 3 365.562 2.194 20 0 FEADHO CCO[C@@H]1CCN(CCOCC[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000451552206 560314448 /nfs/dbraw/zinc/31/44/48/560314448.db2.gz YJWVKWCNJNEHNP-LWYYNNOASA-N 1 3 356.551 2.497 20 0 FEADHO CCO[C@@H]1CCN(CCOCC[N@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000451552206 560314449 /nfs/dbraw/zinc/31/44/49/560314449.db2.gz YJWVKWCNJNEHNP-LWYYNNOASA-N 1 3 356.551 2.497 20 0 FEADHO CCO[C@@H]1CC[N@@H+](CCOCCN2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000451552206 560314450 /nfs/dbraw/zinc/31/44/50/560314450.db2.gz YJWVKWCNJNEHNP-LWYYNNOASA-N 1 3 356.551 2.497 20 0 FEADHO CCO[C@@H]1CC[N@H+](CCOCCN2CC[C@H](OCC)[C@@H](C)C2)C[C@@H]1C ZINC000451552206 560314451 /nfs/dbraw/zinc/31/44/51/560314451.db2.gz YJWVKWCNJNEHNP-LWYYNNOASA-N 1 3 356.551 2.497 20 0 FEADHO CO[C@@H]1CCN(CCOCC[N@@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000451571333 560315454 /nfs/dbraw/zinc/31/54/54/560315454.db2.gz VXFUNEWHINNGKI-QZTJIDSGSA-N 1 3 356.551 2.497 20 0 FEADHO CO[C@@H]1CCN(CCOCC[N@H+]2CC[C@@H](OC)C(C)(C)C2)CC1(C)C ZINC000451571333 560315455 /nfs/dbraw/zinc/31/54/55/560315455.db2.gz VXFUNEWHINNGKI-QZTJIDSGSA-N 1 3 356.551 2.497 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)Cc2cccc(F)c2)[C@@H](C)C1 ZINC000453233218 560384490 /nfs/dbraw/zinc/38/44/90/560384490.db2.gz HMZTZULZKJTCHR-DBVUQKKJSA-N 1 3 352.494 2.456 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)Cc2cccc(F)c2)[C@@H](C)C1 ZINC000453233218 560384491 /nfs/dbraw/zinc/38/44/91/560384491.db2.gz HMZTZULZKJTCHR-DBVUQKKJSA-N 1 3 352.494 2.456 20 0 FEADHO CC(C)N1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000453640737 560392743 /nfs/dbraw/zinc/39/27/43/560392743.db2.gz SYWAOHSVWWKZEO-IBGZPJMESA-N 1 3 372.513 2.117 20 0 FEADHO Cc1cc(NC(=O)NCCCC[N@H+](C)C2CC2)n(C2CCN(C)CC2)n1 ZINC000454925191 560463761 /nfs/dbraw/zinc/46/37/61/560463761.db2.gz MKZVNPKTBSDSKK-UHFFFAOYSA-N 1 3 362.522 2.454 20 0 FEADHO Cc1cc(NC(=O)NCCCC[N@@H+](C)C2CC2)n(C2CCN(C)CC2)n1 ZINC000454925191 560463762 /nfs/dbraw/zinc/46/37/62/560463762.db2.gz MKZVNPKTBSDSKK-UHFFFAOYSA-N 1 3 362.522 2.454 20 0 FEADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455670565 560491264 /nfs/dbraw/zinc/49/12/64/560491264.db2.gz QPAAOTKGVZHROZ-IRXDYDNUSA-N 1 3 364.538 2.324 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc2c(cn1)CCC2 ZINC000455668748 560491275 /nfs/dbraw/zinc/49/12/75/560491275.db2.gz GZXOUHJSOWJHIZ-GOSISDBHSA-N 1 3 359.518 2.450 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc2c(cn1)CCC2 ZINC000455668748 560491276 /nfs/dbraw/zinc/49/12/76/560491276.db2.gz GZXOUHJSOWJHIZ-GOSISDBHSA-N 1 3 359.518 2.450 20 0 FEADHO C[C@H](CO)N1CCCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455843259 560497227 /nfs/dbraw/zinc/49/72/27/560497227.db2.gz GCUASXAYBNYDLK-BEFAXECRSA-N 1 3 360.502 2.156 20 0 FEADHO CN(C)CCn1ccc(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)n1 ZINC000455873387 560498551 /nfs/dbraw/zinc/49/85/51/560498551.db2.gz ZPGZDKOWLMOEFD-QGZVFWFLSA-N 1 3 356.474 2.638 20 0 FEADHO COCCN1CCC(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455910808 560499970 /nfs/dbraw/zinc/49/99/70/560499970.db2.gz IRDFOTVLJGXIHT-LJQANCHMSA-N 1 3 360.502 2.468 20 0 FEADHO CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CCCCN1CCO)[NH+]1CCCC1 ZINC000457615836 560578002 /nfs/dbraw/zinc/57/80/02/560578002.db2.gz NFKJETACPRHZSV-RBUKOAKNSA-N 1 3 368.566 2.033 20 0 FEADHO CCOC[C@@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000458107449 560603506 /nfs/dbraw/zinc/60/35/06/560603506.db2.gz DGLAJXLASANJJT-IBGZPJMESA-N 1 3 366.550 2.146 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459288805 560677709 /nfs/dbraw/zinc/67/77/09/560677709.db2.gz GKEBZEWTYBLQKY-QFBILLFUSA-N 1 3 362.518 2.329 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459288805 560677710 /nfs/dbraw/zinc/67/77/10/560677710.db2.gz GKEBZEWTYBLQKY-QFBILLFUSA-N 1 3 362.518 2.329 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)C3CC[NH+](CC)CC3)cc2)CC1 ZINC000461997721 560791472 /nfs/dbraw/zinc/79/14/72/560791472.db2.gz VIEDYINGLURGGA-UHFFFAOYSA-N 1 3 358.530 2.385 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000465603386 560869511 /nfs/dbraw/zinc/86/95/11/560869511.db2.gz PUUWUIWKCMFMIK-MOPGFXCFSA-N 1 3 368.566 2.251 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000465603386 560869512 /nfs/dbraw/zinc/86/95/12/560869512.db2.gz PUUWUIWKCMFMIK-MOPGFXCFSA-N 1 3 368.566 2.251 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CCN1C ZINC000465889102 560875174 /nfs/dbraw/zinc/87/51/74/560875174.db2.gz MSWFZUNFFNKGTK-HKUYNNGSSA-N 1 3 374.529 2.443 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC([NH+]3CCCC3)CC2)Cc2ccccc2C1 ZINC000466007181 560877732 /nfs/dbraw/zinc/87/77/32/560877732.db2.gz REXFMCMFSOEDTC-UHFFFAOYSA-N 1 3 370.541 2.355 20 0 FEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000468176628 560924097 /nfs/dbraw/zinc/92/40/97/560924097.db2.gz FATOGBOSYKMIOJ-QKLQHJQFSA-N 1 3 359.514 2.132 20 0 FEADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000468176628 560924098 /nfs/dbraw/zinc/92/40/98/560924098.db2.gz FATOGBOSYKMIOJ-QKLQHJQFSA-N 1 3 359.514 2.132 20 0 FEADHO C[C@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000468434711 560929911 /nfs/dbraw/zinc/92/99/11/560929911.db2.gz IKCIWNADSSHEQF-WOJBJXKFSA-N 1 3 372.557 2.435 20 0 FEADHO C[C@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000468434711 560929912 /nfs/dbraw/zinc/92/99/12/560929912.db2.gz IKCIWNADSSHEQF-WOJBJXKFSA-N 1 3 372.557 2.435 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCN3c3ccccc3)CC2)CC1 ZINC000468865772 560940779 /nfs/dbraw/zinc/94/07/79/560940779.db2.gz GTVWJFCGZSJFCB-NRFANRHFSA-N 1 3 370.541 2.330 20 0 FEADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000470016271 560972177 /nfs/dbraw/zinc/97/21/77/560972177.db2.gz SNPGANCLMXJDCT-LJQANCHMSA-N 1 3 362.518 2.416 20 0 FEADHO CCC[N@H+](CC)CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000472211029 561021167 /nfs/dbraw/zinc/02/11/67/561021167.db2.gz DXGMZCXGXYPEKO-UHFFFAOYSA-N 1 3 360.546 2.355 20 0 FEADHO CCC[N@@H+](CC)CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000472211029 561021168 /nfs/dbraw/zinc/02/11/68/561021168.db2.gz DXGMZCXGXYPEKO-UHFFFAOYSA-N 1 3 360.546 2.355 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NCCC[NH+]3CCCC3)c2)CC1 ZINC000473819361 561058392 /nfs/dbraw/zinc/05/83/92/561058392.db2.gz GVRUPENGSZZZHM-UHFFFAOYSA-N 1 3 359.518 2.436 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000475039382 561088369 /nfs/dbraw/zinc/08/83/69/561088369.db2.gz QHQBOKXPDFLBLA-TZIWHRDSSA-N 1 3 372.557 2.069 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000475039382 561088370 /nfs/dbraw/zinc/08/83/70/561088370.db2.gz QHQBOKXPDFLBLA-TZIWHRDSSA-N 1 3 372.557 2.069 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCC[C@@H](OC)C1 ZINC000475449208 561097463 /nfs/dbraw/zinc/09/74/63/561097463.db2.gz BXQDCCIXVJEOAF-IPMKNSEASA-N 1 3 353.551 2.456 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCC[C@@H](OC)C1 ZINC000475449208 561097464 /nfs/dbraw/zinc/09/74/64/561097464.db2.gz BXQDCCIXVJEOAF-IPMKNSEASA-N 1 3 353.551 2.456 20 0 FEADHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)C1CC1 ZINC000477042837 561135037 /nfs/dbraw/zinc/13/50/37/561135037.db2.gz YPCMUZZLYATRSA-ICSRJNTNSA-N 1 3 356.514 2.433 20 0 FEADHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)C1CC1 ZINC000477042837 561135038 /nfs/dbraw/zinc/13/50/38/561135038.db2.gz YPCMUZZLYATRSA-ICSRJNTNSA-N 1 3 356.514 2.433 20 0 FEADHO CO[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000528315863 562322284 /nfs/dbraw/zinc/32/22/84/562322284.db2.gz NMQDUIFBNHKWAN-LJQANCHMSA-N 1 3 363.477 2.188 20 0 FEADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000528474018 562330939 /nfs/dbraw/zinc/33/09/39/562330939.db2.gz NRHYMBNZVYLEGT-NJDAHSKKSA-N 1 3 373.541 2.372 20 0 FEADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000528474018 562330940 /nfs/dbraw/zinc/33/09/40/562330940.db2.gz NRHYMBNZVYLEGT-NJDAHSKKSA-N 1 3 373.541 2.372 20 0 FEADHO CC(C)(CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)N1CCc2ccccc2C1 ZINC000529293768 562367661 /nfs/dbraw/zinc/36/76/61/562367661.db2.gz ZOPYGDLYSJIXHC-GOSISDBHSA-N 1 3 356.514 2.407 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529313260 562368744 /nfs/dbraw/zinc/36/87/44/562368744.db2.gz JLPYYBVQMWGYGO-QRQLOZEOSA-N 1 3 356.514 2.481 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@H]3CCCOC3)CC2)CC1 ZINC000529607632 562378589 /nfs/dbraw/zinc/37/85/89/562378589.db2.gz ZXIQLUJYNGEWGK-QGZVFWFLSA-N 1 3 351.535 2.116 20 0 FEADHO Cc1cc(NC(=O)NCCN2CCCC[C@@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000530711457 562421415 /nfs/dbraw/zinc/42/14/15/562421415.db2.gz IRDMCXRQBZQDLU-INIZCTEOSA-N 1 3 362.522 2.454 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000530992811 562431130 /nfs/dbraw/zinc/43/11/30/562431130.db2.gz SJGDAFZKCWHDKW-HUUCEWRRSA-N 1 3 366.472 2.490 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531289295 562440660 /nfs/dbraw/zinc/44/06/60/562440660.db2.gz GCDGFLKXUDCSFL-KNQAVFIVSA-N 1 3 373.541 2.394 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531289295 562440661 /nfs/dbraw/zinc/44/06/61/562440661.db2.gz GCDGFLKXUDCSFL-KNQAVFIVSA-N 1 3 373.541 2.394 20 0 FEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000531546671 562449421 /nfs/dbraw/zinc/44/94/21/562449421.db2.gz VHDSPUARFQHZER-VQTJNVASSA-N 1 3 358.530 2.388 20 0 FEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000531546671 562449422 /nfs/dbraw/zinc/44/94/22/562449422.db2.gz VHDSPUARFQHZER-VQTJNVASSA-N 1 3 358.530 2.388 20 0 FEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(COC)nc1C ZINC000535408616 562557875 /nfs/dbraw/zinc/55/78/75/562557875.db2.gz GXCYTLYJOXIMDC-HNNXBMFYSA-N 1 3 368.547 2.086 20 0 FEADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000541820949 562620493 /nfs/dbraw/zinc/62/04/93/562620493.db2.gz GXZGHXPRLOPHQW-KRWDZBQOSA-N 1 3 366.550 2.003 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=S)NCC[NH+](C)C)N(C)C)cc1 ZINC000806598797 674382971 /nfs/dbraw/zinc/38/29/71/674382971.db2.gz MBQBOFYOJKXIEQ-QGZVFWFLSA-N 1 3 352.548 2.102 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C)c(C(=O)OC)[nH]2)[C@H](C)C1 ZINC000602546932 567990194 /nfs/dbraw/zinc/99/01/94/567990194.db2.gz VBRPHVKARXKAFV-WBVHZDCISA-N 1 3 351.491 2.336 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000623072327 568245716 /nfs/dbraw/zinc/24/57/16/568245716.db2.gz YPDAOBYNRRZSLY-OALUTQOASA-N 1 3 360.502 2.498 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCC(C)([NH+]3CCCC3)CC2)CCCO1 ZINC000637087796 568349360 /nfs/dbraw/zinc/34/93/60/568349360.db2.gz SDCQYFJXVWENCP-GOSISDBHSA-N 1 3 366.550 2.147 20 0 FEADHO COc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1-c1nnn[n-]1 ZINC000826194746 607487016 /nfs/dbraw/zinc/48/70/16/607487016.db2.gz VILWTIBQSRKIPP-UHFFFAOYSA-N 1 3 356.474 2.183 20 0 FEADHO COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826157920 608378369 /nfs/dbraw/zinc/37/83/69/608378369.db2.gz RJZKXDRYRFOWBR-UHFFFAOYSA-N 1 3 372.517 2.437 20 0 FEADHO COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826157920 608378371 /nfs/dbraw/zinc/37/83/71/608378371.db2.gz RJZKXDRYRFOWBR-UHFFFAOYSA-N 1 3 372.517 2.437 20 0 FEADHO COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826157920 608378373 /nfs/dbraw/zinc/37/83/73/608378373.db2.gz RJZKXDRYRFOWBR-UHFFFAOYSA-N 1 3 372.517 2.437 20 0 FEADHO COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826157920 608378376 /nfs/dbraw/zinc/37/83/76/608378376.db2.gz RJZKXDRYRFOWBR-UHFFFAOYSA-N 1 3 372.517 2.437 20 0 FEADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)[C@H]2CCC[C@H]21 ZINC000560515453 674596951 /nfs/dbraw/zinc/59/69/51/674596951.db2.gz SNBBDYOBOULXMU-IXDOHACOSA-N 1 3 371.934 2.081 20 0 FEADHO O=S1(=O)CC[C@H](NCC[C@@H]2CC[NH2+]C2)c2cc(Br)ccc21 ZINC000562956050 674827255 /nfs/dbraw/zinc/82/72/55/674827255.db2.gz ZPZZJQAHGOVAKE-FZMZJTMJSA-N 1 3 373.316 2.257 20 0 FEADHO CC[C@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCCO1 ZINC000565204368 675102275 /nfs/dbraw/zinc/10/22/75/675102275.db2.gz MUFIAIMPORFSMB-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=S)NCCC[NH+](C)C ZINC000065704623 670432737 /nfs/dbraw/zinc/43/27/37/670432737.db2.gz JBTXWZBDSXQDGZ-UHFFFAOYSA-N 1 3 358.502 2.155 20 0 FEADHO COCCC[NH+]1CCC(NC[C@H](O)COc2ccc(C)cc2C)CC1 ZINC000569110956 670511749 /nfs/dbraw/zinc/51/17/49/670511749.db2.gz KLJHPRZBGRIVFQ-IBGZPJMESA-N 1 3 350.503 2.134 20 0 FEADHO [NH3+]CCC1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000569248911 670531760 /nfs/dbraw/zinc/53/17/60/670531760.db2.gz DGFYLZSNDMWZQM-UHFFFAOYSA-N 1 3 354.564 2.118 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000572944256 671062938 /nfs/dbraw/zinc/06/29/38/671062938.db2.gz JUWCFXJKRCUMIF-WPKBUWHJSA-N 1 3 364.515 2.081 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000573729117 671158090 /nfs/dbraw/zinc/15/80/90/671158090.db2.gz OYBXGSMQHFNFCR-PKOBYXMFSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000573729117 671158093 /nfs/dbraw/zinc/15/80/93/671158093.db2.gz OYBXGSMQHFNFCR-PKOBYXMFSA-N 1 3 351.535 2.258 20 0 FEADHO NC(C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C(F)(F)F ZINC000574199922 671213900 /nfs/dbraw/zinc/21/39/00/671213900.db2.gz FSTHFJORGAIJAI-DOTOQJQBSA-N 1 3 355.404 2.391 20 0 FEADHO NC(C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C(F)(F)F ZINC000574199922 671213905 /nfs/dbraw/zinc/21/39/05/671213905.db2.gz FSTHFJORGAIJAI-DOTOQJQBSA-N 1 3 355.404 2.391 20 0 FEADHO Cc1cccc(N2CCN(CCCC[NH2+]C[C@@H](O)C(F)(F)F)CC2)c1 ZINC000566107631 675181371 /nfs/dbraw/zinc/18/13/71/675181371.db2.gz OVKHSALWYGCGEN-QGZVFWFLSA-N 1 3 359.436 2.410 20 0 FEADHO Cc1cccc(N2CCN(CCCC[NH2+]C[C@H](O)C(F)(F)F)CC2)c1 ZINC000566107629 675181500 /nfs/dbraw/zinc/18/15/00/675181500.db2.gz OVKHSALWYGCGEN-KRWDZBQOSA-N 1 3 359.436 2.410 20 0 FEADHO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000576911171 671403744 /nfs/dbraw/zinc/40/37/44/671403744.db2.gz AADHDLITYANCPU-SFHVURJKSA-N 1 3 351.535 2.135 20 0 FEADHO C[C@H]([NH2+]CC1(N)CCC1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000579110253 671712879 /nfs/dbraw/zinc/71/28/79/671712879.db2.gz BQRJNEQPARRNCD-LBPRGKRZSA-N 1 3 354.292 2.267 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418595628 673192267 /nfs/dbraw/zinc/19/22/67/673192267.db2.gz XACJDWKCQCAITM-HZPDHXFCSA-N 1 3 354.445 2.308 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(S(C)(=O)=O)c2)C[C@H](C)O1 ZINC000449105000 673231127 /nfs/dbraw/zinc/23/11/27/673231127.db2.gz XRDATBUQPVBMDB-IYBDPMFKSA-N 1 3 354.516 2.069 20 0 FEADHO C[N@@H+]1CCC[C@@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000730955219 673296539 /nfs/dbraw/zinc/29/65/39/673296539.db2.gz VAKOLCBUHPKJFX-SFHVURJKSA-N 1 3 360.571 2.457 20 0 FEADHO C[N@H+]1CCC[C@@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000730955219 673296541 /nfs/dbraw/zinc/29/65/41/673296541.db2.gz VAKOLCBUHPKJFX-SFHVURJKSA-N 1 3 360.571 2.457 20 0 FEADHO C[C@H]1CN(CCOC2CC[NH+](CCN3CCCCC3)CC2)C[C@H](C)O1 ZINC000540248733 673531236 /nfs/dbraw/zinc/53/12/36/673531236.db2.gz UXMRBRKGOUCZMU-OALUTQOASA-N 1 3 353.551 2.063 20 0 FEADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)N3CCCCC3)CC2)C[C@H](C)O1 ZINC000543844540 673674093 /nfs/dbraw/zinc/67/40/93/673674093.db2.gz SBEALLONSKKKII-HDICACEKSA-N 1 3 351.535 2.210 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC(O)(CC)CC)CC2)CC1 ZINC000566449775 675215017 /nfs/dbraw/zinc/21/50/17/675215017.db2.gz RZUAHCACZJWEAS-UHFFFAOYSA-N 1 3 353.551 2.240 20 0 FEADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000819172926 675266156 /nfs/dbraw/zinc/26/61/56/675266156.db2.gz HODOBNDWWYXARX-GUDVDZBRSA-N 1 3 354.441 2.356 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](OC)[C@@H](C)C3)CC2)CC1 ZINC000568228711 675360200 /nfs/dbraw/zinc/36/02/00/675360200.db2.gz HSMYOZNQKJMIIW-QFBILLFUSA-N 1 3 351.535 2.066 20 0 FEADHO C[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCS(=O)(=O)CC1 ZINC000658165005 678063753 /nfs/dbraw/zinc/06/37/53/678063753.db2.gz HGAJXYRRRGWMIR-INIZCTEOSA-N 1 3 365.543 2.097 20 0 FEADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(F)cc1F ZINC000606467836 675834831 /nfs/dbraw/zinc/83/48/31/675834831.db2.gz JHSAOGICZMLEHG-IBGZPJMESA-N 1 3 355.473 2.396 20 0 FEADHO Cc1c(Br)cncc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617502490 676288364 /nfs/dbraw/zinc/28/83/64/676288364.db2.gz RGVWABNOCHFNLT-LBPRGKRZSA-N 1 3 371.323 2.154 20 0 FEADHO Cc1c(Br)cncc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617502490 676288365 /nfs/dbraw/zinc/28/83/65/676288365.db2.gz RGVWABNOCHFNLT-LBPRGKRZSA-N 1 3 371.323 2.154 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000617508008 676289392 /nfs/dbraw/zinc/28/93/92/676289392.db2.gz RMHDAZXREHQAIH-MPGHIAIKSA-N 1 3 367.559 2.386 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000617508008 676289393 /nfs/dbraw/zinc/28/93/93/676289393.db2.gz RMHDAZXREHQAIH-MPGHIAIKSA-N 1 3 367.559 2.386 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000617505817 676289412 /nfs/dbraw/zinc/28/94/12/676289412.db2.gz RAHVHGGZWBBANS-KKUMJFAQSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000617505817 676289413 /nfs/dbraw/zinc/28/94/13/676289413.db2.gz RAHVHGGZWBBANS-KKUMJFAQSA-N 1 3 353.457 2.457 20 0 FEADHO COC(=O)c1ccc(Cl)c(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000619509053 676382809 /nfs/dbraw/zinc/38/28/09/676382809.db2.gz QZSHGFJYPORGJQ-MRXNPFEDSA-N 1 3 365.905 2.385 20 0 FEADHO CN1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000621010825 676437669 /nfs/dbraw/zinc/43/76/69/676437669.db2.gz UNISWIXGEJFTIJ-OAHLLOKOSA-N 1 3 354.445 2.132 20 0 FEADHO CN(CCCN(C)C(=O)NC[C@H]1CCCC[N@H+](C)C1)Cc1ccco1 ZINC000624610891 676587254 /nfs/dbraw/zinc/58/72/54/676587254.db2.gz CZJUWSARLQUJGQ-QGZVFWFLSA-N 1 3 350.507 2.475 20 0 FEADHO CN(CCCN(C)C(=O)NC[C@H]1CCCC[N@@H+](C)C1)Cc1ccco1 ZINC000624610891 676587257 /nfs/dbraw/zinc/58/72/57/676587257.db2.gz CZJUWSARLQUJGQ-QGZVFWFLSA-N 1 3 350.507 2.475 20 0 FEADHO CN(CCOCC[NH3+])Cc1ccc(OC(F)F)c(Br)c1 ZINC000629661050 676864430 /nfs/dbraw/zinc/86/44/30/676864430.db2.gz BBKAXJURPJIOHX-UHFFFAOYSA-N 1 3 353.207 2.458 20 0 FEADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)CC2(O)CCOCC2)[C@@H]1c1cccs1 ZINC000634706441 677080181 /nfs/dbraw/zinc/08/01/81/677080181.db2.gz PLVJEGKODUEANU-JFIYKMOQSA-N 1 3 368.543 2.013 20 0 FEADHO C[N@H+]1CCC[C@H](CNC[C@H](O)CC2(O)CCOCC2)[C@@H]1c1cccs1 ZINC000634706441 677080182 /nfs/dbraw/zinc/08/01/82/677080182.db2.gz PLVJEGKODUEANU-JFIYKMOQSA-N 1 3 368.543 2.013 20 0 FEADHO CC1CCN([C@H](CNC(=O)[C@]2(C[NH3+])CCCOC2)c2cccs2)CC1 ZINC000638051004 677138875 /nfs/dbraw/zinc/13/88/75/677138875.db2.gz WZPVDKMWPFXDNI-APWZRJJASA-N 1 3 365.543 2.393 20 0 FEADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc(S(N)(=O)=O)cc1 ZINC000638854045 677151188 /nfs/dbraw/zinc/15/11/88/677151188.db2.gz MTSBGUZVDCXZQZ-UHFFFAOYSA-N 1 3 361.511 2.464 20 0 FEADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc(S(N)(=O)=O)cc1 ZINC000638854045 677151189 /nfs/dbraw/zinc/15/11/89/677151189.db2.gz MTSBGUZVDCXZQZ-UHFFFAOYSA-N 1 3 361.511 2.464 20 0 FEADHO Cc1ncc(CNC(=O)CC[N@@H+]2CCCN(c3ccncc3)CC2)s1 ZINC000639683794 677163664 /nfs/dbraw/zinc/16/36/64/677163664.db2.gz CAVJBMFDAWJDAC-UHFFFAOYSA-N 1 3 359.499 2.065 20 0 FEADHO Cc1ncc(CNC(=O)CC[N@H+]2CCCN(c3ccncc3)CC2)s1 ZINC000639683794 677163665 /nfs/dbraw/zinc/16/36/65/677163665.db2.gz CAVJBMFDAWJDAC-UHFFFAOYSA-N 1 3 359.499 2.065 20 0 FEADHO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Nc1ccnn1CCN(C)C ZINC000640170415 677174584 /nfs/dbraw/zinc/17/45/84/677174584.db2.gz BFUBMDGMNKXSQZ-CVEARBPZSA-N 1 3 350.511 2.029 20 0 FEADHO [NH3+]CCOCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000646254193 677281486 /nfs/dbraw/zinc/28/14/86/677281486.db2.gz YBQYWBBVWWJHPK-UHFFFAOYSA-N 1 3 374.312 2.393 20 0 FEADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NCc1cc(F)cc(F)c1 ZINC000647978010 677309860 /nfs/dbraw/zinc/30/98/60/677309860.db2.gz KZNJQDNRFFNCJS-CVEARBPZSA-N 1 3 351.441 2.293 20 0 FEADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NCc1cc(F)cc(F)c1 ZINC000647978011 677309890 /nfs/dbraw/zinc/30/98/90/677309890.db2.gz KZNJQDNRFFNCJS-HOTGVXAUSA-N 1 3 351.441 2.293 20 0 FEADHO O=S(=O)(NC1CCCC1)[C@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000647990229 677310090 /nfs/dbraw/zinc/31/00/90/677310090.db2.gz KBSLJJSGTVQWNY-SFHVURJKSA-N 1 3 357.564 2.093 20 0 FEADHO COc1cc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc(OC)c1O ZINC000650708736 677386999 /nfs/dbraw/zinc/38/69/99/677386999.db2.gz KNOUMZQDCFSDLI-ARFHVFGLSA-N 1 3 350.459 2.128 20 0 FEADHO CC[N@H+](C)C[C@H](O)CNC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000653706220 677545191 /nfs/dbraw/zinc/54/51/91/677545191.db2.gz XBTKENMAHBUSJS-MRXNPFEDSA-N 1 3 358.885 2.473 20 0 FEADHO CC[N@@H+](C)C[C@H](O)CNC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000653706220 677545194 /nfs/dbraw/zinc/54/51/94/677545194.db2.gz XBTKENMAHBUSJS-MRXNPFEDSA-N 1 3 358.885 2.473 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655462486 677642068 /nfs/dbraw/zinc/64/20/68/677642068.db2.gz PVBWDLOFFCGHAN-HNAYVOBHSA-N 1 3 351.441 2.245 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(F)cc1F ZINC000665637780 678974144 /nfs/dbraw/zinc/97/41/44/678974144.db2.gz OOMDCDMVQNIJFO-AWEZNQCLSA-N 1 3 356.461 2.378 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(F)cc1F ZINC000665637780 678974147 /nfs/dbraw/zinc/97/41/47/678974147.db2.gz OOMDCDMVQNIJFO-AWEZNQCLSA-N 1 3 356.461 2.378 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H](C)c1nccs1 ZINC000665760447 678982133 /nfs/dbraw/zinc/98/21/33/678982133.db2.gz IXJIQRPORHKZJO-GJZGRUSLSA-N 1 3 355.552 2.160 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H](C)c1nccs1 ZINC000665760447 678982134 /nfs/dbraw/zinc/98/21/34/678982134.db2.gz IXJIQRPORHKZJO-GJZGRUSLSA-N 1 3 355.552 2.160 20 0 FEADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000669389529 679231853 /nfs/dbraw/zinc/23/18/53/679231853.db2.gz MYRGYRBKNVJEKL-CVEARBPZSA-N 1 3 354.564 2.165 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNCc3nc(C)sc3C)C2)CC[N@@H+]1C ZINC001026855880 680351410 /nfs/dbraw/zinc/35/14/10/680351410.db2.gz OUTGCJYRPKWACA-XYJFISCASA-N 1 3 364.559 2.428 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNCc3nc(C)sc3C)C2)CC[N@H+]1C ZINC001026855880 680351415 /nfs/dbraw/zinc/35/14/15/680351415.db2.gz OUTGCJYRPKWACA-XYJFISCASA-N 1 3 364.559 2.428 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3ccc(F)c(F)c3)C2)CC[N@@H+]1C ZINC000999189940 680397921 /nfs/dbraw/zinc/39/79/21/680397921.db2.gz ORBMRGKMQMGQKX-FVQBIDKESA-N 1 3 351.441 2.386 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3ccc(F)c(F)c3)C2)CC[N@H+]1C ZINC000999189940 680397924 /nfs/dbraw/zinc/39/79/24/680397924.db2.gz ORBMRGKMQMGQKX-FVQBIDKESA-N 1 3 351.441 2.386 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3csc(C4CC4)n3)CC2)CC1 ZINC000874257260 685336191 /nfs/dbraw/zinc/33/61/91/685336191.db2.gz VOHOXKNQFZNBDX-UHFFFAOYSA-N 1 3 362.543 2.238 20 0 FEADHO Cc1cnc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC001034647581 680436636 /nfs/dbraw/zinc/43/66/36/680436636.db2.gz MNBDLZAKXTWVFG-KLHDSHLOSA-N 1 3 350.532 2.309 20 0 FEADHO Cc1cnc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC001034647581 680436637 /nfs/dbraw/zinc/43/66/37/680436637.db2.gz MNBDLZAKXTWVFG-KLHDSHLOSA-N 1 3 350.532 2.309 20 0 FEADHO Cc1ncsc1CN1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001041295782 680503367 /nfs/dbraw/zinc/50/33/67/680503367.db2.gz AHYNZCRYJKILLA-GPMSIDNRSA-N 1 3 362.543 2.216 20 0 FEADHO Cc1ncsc1CN1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001041295782 680503370 /nfs/dbraw/zinc/50/33/70/680503370.db2.gz AHYNZCRYJKILLA-GPMSIDNRSA-N 1 3 362.543 2.216 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2scnc2C)CC[N@@H+]1C ZINC001045044413 680620226 /nfs/dbraw/zinc/62/02/26/680620226.db2.gz HFUQSTQGVMSRGS-HRCADAONSA-N 1 3 350.532 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2scnc2C)CC[N@H+]1C ZINC001045044413 680620229 /nfs/dbraw/zinc/62/02/29/680620229.db2.gz HFUQSTQGVMSRGS-HRCADAONSA-N 1 3 350.532 2.262 20 0 FEADHO COCOc1ccc(OC)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000766469033 680878173 /nfs/dbraw/zinc/87/81/73/680878173.db2.gz NECRZIRVLCVRNQ-UHFFFAOYSA-N 1 3 352.475 2.003 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc(Cl)n1 ZINC000841849344 680914638 /nfs/dbraw/zinc/91/46/38/680914638.db2.gz MWMVCKVKJCMNDJ-HIFRSBDPSA-N 1 3 359.861 2.283 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CSCCS3)CC2)CC1 ZINC000847556476 681395675 /nfs/dbraw/zinc/39/56/75/681395675.db2.gz VWEKQLLBWRBPLE-KRWDZBQOSA-N 1 3 371.616 2.148 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000849072780 681649857 /nfs/dbraw/zinc/64/98/57/681649857.db2.gz GJBROEZJQXRALV-HOCLYGCPSA-N 1 3 358.408 2.035 20 0 FEADHO CC[C@@H](C)CC[C@@H](O)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000793299955 682879054 /nfs/dbraw/zinc/87/90/54/682879054.db2.gz SLBFPYOAKMWGBY-VQIMIIECSA-N 1 3 353.551 2.239 20 0 FEADHO CN1CCC(NC(=S)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000920310416 683333656 /nfs/dbraw/zinc/33/36/56/683333656.db2.gz FSZGJFDPVGNIHT-UHFFFAOYSA-N 1 3 361.559 2.209 20 0 FEADHO CN1CCC(NC(=S)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000920310416 683333665 /nfs/dbraw/zinc/33/36/65/683333665.db2.gz FSZGJFDPVGNIHT-UHFFFAOYSA-N 1 3 361.559 2.209 20 0 FEADHO CCO[C@@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)CN(C)C ZINC000922755227 683778058 /nfs/dbraw/zinc/77/80/58/683778058.db2.gz YWQJYNYGIKUBQX-FQEVSTJZSA-N 1 3 351.510 2.389 20 0 FEADHO COCCN(CCN(C)C)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000925041954 684519744 /nfs/dbraw/zinc/51/97/44/684519744.db2.gz ORETZOYGEVCOTE-UHFFFAOYSA-N 1 3 354.539 2.003 20 0 FEADHO Cc1ccc(S(=O)(=O)NCCN[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000925584031 684570957 /nfs/dbraw/zinc/57/09/57/684570957.db2.gz AIETUROLNCYPTL-LJQANCHMSA-N 1 3 361.511 2.343 20 0 FEADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891322428 689050204 /nfs/dbraw/zinc/05/02/04/689050204.db2.gz ORYHSIYFSBYXLH-KGLIPLIRSA-N 1 3 372.485 2.429 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccsc1 ZINC000891349488 689052657 /nfs/dbraw/zinc/05/26/57/689052657.db2.gz VRTAVSPJJQEXKW-LZLYRXPVSA-N 1 3 350.532 2.382 20 0 FEADHO C[N@@H+]1C[C@@H]2CN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)C[C@]2(C)C1 ZINC000891543216 689075954 /nfs/dbraw/zinc/07/59/54/689075954.db2.gz RDVNUJFWPJSMSU-GJYPPUQNSA-N 1 3 362.543 2.478 20 0 FEADHO C[N@H+]1C[C@@H]2CN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)C[C@]2(C)C1 ZINC000891543216 689075957 /nfs/dbraw/zinc/07/59/57/689075957.db2.gz RDVNUJFWPJSMSU-GJYPPUQNSA-N 1 3 362.543 2.478 20 0 FEADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000894415266 689527464 /nfs/dbraw/zinc/52/74/64/689527464.db2.gz ZIUZLVXTCROBHJ-FUHWJXTLSA-N 1 3 359.580 2.195 20 0 FEADHO CC(C)CCN1CCC([NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000894415267 689527547 /nfs/dbraw/zinc/52/75/47/689527547.db2.gz ZIUZLVXTCROBHJ-SJLPKXTDSA-N 1 3 359.580 2.195 20 0 FEADHO C[C@H](CC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2)N(C)C ZINC000895428132 689714632 /nfs/dbraw/zinc/71/46/32/689714632.db2.gz GDAXZISGBNBKKP-PMPSAXMXSA-N 1 3 355.523 2.379 20 0 FEADHO C[C@@H](NCCOCC[NH+](C)C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903157455 690857630 /nfs/dbraw/zinc/85/76/30/690857630.db2.gz GSORNYWMMVWOAQ-GFCCVEGCSA-N 1 3 368.421 2.209 20 0 FEADHO COc1cc(CN(C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)ccc1OC(F)F ZINC000903718149 690966492 /nfs/dbraw/zinc/96/64/92/690966492.db2.gz HLWKDPFWLSDNPU-KBXCAEBGSA-N 1 3 356.413 2.497 20 0 FEADHO FC(F)(F)[C@H]1CCC[C@@H](CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)O1 ZINC000903783783 690972074 /nfs/dbraw/zinc/97/20/74/690972074.db2.gz CXAVNNJAKZENJQ-VVLHAWIVSA-N 1 3 361.452 2.387 20 0 FEADHO Clc1ccc(OC2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)nc1 ZINC000903779769 690972117 /nfs/dbraw/zinc/97/21/17/690972117.db2.gz AELRHNDXTZRTIT-WMZOPIPTSA-N 1 3 351.878 2.347 20 0 FEADHO COC(=O)CCC1([NH2+]C[C@H](CN)Cc2cnn(C)c2C)CCCCC1 ZINC000904432665 691027199 /nfs/dbraw/zinc/02/71/99/691027199.db2.gz DTTABAZRHKUOOW-INIZCTEOSA-N 1 3 350.507 2.092 20 0 FEADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC3CCN(C)CC3)cc2)C1 ZINC000048773746 540373870 /nfs/dbraw/zinc/37/38/70/540373870.db2.gz MNHDIEBISWZUNL-INIZCTEOSA-N 1 3 372.513 2.067 20 0 FEADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC3CCN(C)CC3)cc2)C1 ZINC000048773746 540373873 /nfs/dbraw/zinc/37/38/73/540373873.db2.gz MNHDIEBISWZUNL-INIZCTEOSA-N 1 3 372.513 2.067 20 0 FEADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000062586972 541151488 /nfs/dbraw/zinc/15/14/88/541151488.db2.gz GMPLTLWRVQFXEV-MRXNPFEDSA-N 1 3 360.502 2.067 20 0 FEADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000072860383 541883525 /nfs/dbraw/zinc/88/35/25/541883525.db2.gz WGHPBDHTDFKXPM-SFHVURJKSA-N 1 3 374.529 2.125 20 0 FEADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000072860383 541883532 /nfs/dbraw/zinc/88/35/32/541883532.db2.gz WGHPBDHTDFKXPM-SFHVURJKSA-N 1 3 374.529 2.125 20 0 FEADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000072859552 541883739 /nfs/dbraw/zinc/88/37/39/541883739.db2.gz BZDOEPWGPRKMPS-CYBMUJFWSA-N 1 3 366.893 2.041 20 0 FEADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000072859552 541883741 /nfs/dbraw/zinc/88/37/41/541883741.db2.gz BZDOEPWGPRKMPS-CYBMUJFWSA-N 1 3 366.893 2.041 20 0 FEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073123948 541921342 /nfs/dbraw/zinc/92/13/42/541921342.db2.gz VEGPCJLQDDHOJD-FQEVSTJZSA-N 1 3 372.557 2.435 20 0 FEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073123948 541921344 /nfs/dbraw/zinc/92/13/44/541921344.db2.gz VEGPCJLQDDHOJD-FQEVSTJZSA-N 1 3 372.557 2.435 20 0 FEADHO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000073185289 541928004 /nfs/dbraw/zinc/92/80/04/541928004.db2.gz HOQNCCQURFQDBK-UHFFFAOYSA-N 1 3 356.474 2.003 20 0 FEADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000077457998 542385031 /nfs/dbraw/zinc/38/50/31/542385031.db2.gz KQIASQGZEQRGJE-WMZOPIPTSA-N 1 3 354.516 2.072 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000551584112 674152603 /nfs/dbraw/zinc/15/26/03/674152603.db2.gz GBFOWTSIQUNHEO-NMFUWQPSSA-N 1 3 361.452 2.494 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000551584112 674152606 /nfs/dbraw/zinc/15/26/06/674152606.db2.gz GBFOWTSIQUNHEO-NMFUWQPSSA-N 1 3 361.452 2.494 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000079221325 542507110 /nfs/dbraw/zinc/50/71/10/542507110.db2.gz CLEZSJANXMADGS-PMACEKPBSA-N 1 3 358.530 2.429 20 0 FEADHO CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090391816 542784324 /nfs/dbraw/zinc/78/43/24/542784324.db2.gz BUOCMSHFQCTZKV-QAPCUYQASA-N 1 3 357.564 2.091 20 0 FEADHO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000090391815 542784692 /nfs/dbraw/zinc/78/46/92/542784692.db2.gz BUOCMSHFQCTZKV-CRAIPNDOSA-N 1 3 357.564 2.091 20 0 FEADHO CC(C)N1CCCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000091233025 542800400 /nfs/dbraw/zinc/80/04/00/542800400.db2.gz SSPFKYQMJMZNCU-UHFFFAOYSA-N 1 3 359.518 2.424 20 0 FEADHO C[C@H](CN1CCCCC1)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093134928 542910525 /nfs/dbraw/zinc/91/05/25/542910525.db2.gz OMANPHSATNUXMD-QGZVFWFLSA-N 1 3 359.518 2.472 20 0 FEADHO CNC(=O)NC(=O)[C@H](C)N(C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726502 543139223 /nfs/dbraw/zinc/13/92/23/543139223.db2.gz PDRFPYPIJJQCSM-INIZCTEOSA-N 1 3 360.502 2.065 20 0 FEADHO CN(CCn1cccn1)Cc1ccccc1C[N@H+](C)CCn1cccn1 ZINC000111278947 543392411 /nfs/dbraw/zinc/39/24/11/543392411.db2.gz CTMLPQPFFHNODW-UHFFFAOYSA-N 1 3 352.486 2.344 20 0 FEADHO CN(CCn1cccn1)Cc1ccccc1C[N@@H+](C)CCn1cccn1 ZINC000111278947 543392412 /nfs/dbraw/zinc/39/24/12/543392412.db2.gz CTMLPQPFFHNODW-UHFFFAOYSA-N 1 3 352.486 2.344 20 0 FEADHO CC[C@H](C)[N@H+](C)CCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111596966 543407995 /nfs/dbraw/zinc/40/79/95/543407995.db2.gz RAWOIQZRPXJPBW-IBGZPJMESA-N 1 3 360.546 2.435 20 0 FEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111596966 543407997 /nfs/dbraw/zinc/40/79/97/543407997.db2.gz RAWOIQZRPXJPBW-IBGZPJMESA-N 1 3 360.546 2.435 20 0 FEADHO c1ccc(N2CCN(C[C@@H]3CCC[N@@H+](CCN4CCCCC4)C3)CC2)nc1 ZINC000112664568 543455981 /nfs/dbraw/zinc/45/59/81/543455981.db2.gz SLGDMAACHNNZLT-OAQYLSRUSA-N 1 3 371.573 2.402 20 0 FEADHO c1ccc(N2CCN(C[C@@H]3CCC[N@H+](CCN4CCCCC4)C3)CC2)nc1 ZINC000112664568 543455983 /nfs/dbraw/zinc/45/59/83/543455983.db2.gz SLGDMAACHNNZLT-OAQYLSRUSA-N 1 3 371.573 2.402 20 0 FEADHO C[C@H]1CCCC[C@H]1OCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000112886940 543466059 /nfs/dbraw/zinc/46/60/59/543466059.db2.gz MLYJLBAORYPQFL-QFBILLFUSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000552097506 674187390 /nfs/dbraw/zinc/18/73/90/674187390.db2.gz DOJSRSSFUFQHOJ-GJZGRUSLSA-N 1 3 354.516 2.243 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000124722705 543839299 /nfs/dbraw/zinc/83/92/99/543839299.db2.gz AJVUCRBMTQWFQJ-YSIASYRMSA-N 1 3 370.541 2.475 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000124722705 543839302 /nfs/dbraw/zinc/83/93/02/543839302.db2.gz AJVUCRBMTQWFQJ-YSIASYRMSA-N 1 3 370.541 2.475 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000124722303 543839498 /nfs/dbraw/zinc/83/94/98/543839498.db2.gz AJVUCRBMTQWFQJ-IHPCNDPISA-N 1 3 370.541 2.475 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000124722303 543839501 /nfs/dbraw/zinc/83/95/01/543839501.db2.gz AJVUCRBMTQWFQJ-IHPCNDPISA-N 1 3 370.541 2.475 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C[C@H](O)COCc2ccccc2OC)[C@H](C)C1 ZINC000125773680 543901062 /nfs/dbraw/zinc/90/10/62/543901062.db2.gz KUUGPULIQNRTLW-NZSAHSFTSA-N 1 3 350.503 2.235 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C[C@H](O)COCc2ccccc2OC)[C@H](C)C1 ZINC000125773680 543901063 /nfs/dbraw/zinc/90/10/63/543901063.db2.gz KUUGPULIQNRTLW-NZSAHSFTSA-N 1 3 350.503 2.235 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H](NCc2ccccc2)C1 ZINC000129541740 544117249 /nfs/dbraw/zinc/11/72/49/544117249.db2.gz QKOBDUFVWLJFOF-MOPGFXCFSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCC[C@H](NCc2ccccc2)C1 ZINC000129541740 544117250 /nfs/dbraw/zinc/11/72/50/544117250.db2.gz QKOBDUFVWLJFOF-MOPGFXCFSA-N 1 3 356.514 2.435 20 0 FEADHO CCCN1CCC([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000131599622 544197743 /nfs/dbraw/zinc/19/77/43/544197743.db2.gz XLTABMSUEIMAHK-UHFFFAOYSA-N 1 3 353.532 2.243 20 0 FEADHO CCCN1CCC([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000131599622 544197744 /nfs/dbraw/zinc/19/77/44/544197744.db2.gz XLTABMSUEIMAHK-UHFFFAOYSA-N 1 3 353.532 2.243 20 0 FEADHO CCOc1ccc(OC)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000131963851 544213575 /nfs/dbraw/zinc/21/35/75/544213575.db2.gz HLMZZBHYXVBAKV-UHFFFAOYSA-N 1 3 352.479 2.051 20 0 FEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000133131098 544257728 /nfs/dbraw/zinc/25/77/28/544257728.db2.gz JVRHJNMZEHRYLF-DXIQSLLYSA-N 1 3 372.557 2.383 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000133814354 544284127 /nfs/dbraw/zinc/28/41/27/544284127.db2.gz JAIMFAMOMDLXKU-IAGOWNOFSA-N 1 3 371.529 2.391 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000133814354 544284128 /nfs/dbraw/zinc/28/41/28/544284128.db2.gz JAIMFAMOMDLXKU-IAGOWNOFSA-N 1 3 371.529 2.391 20 0 FEADHO Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000135916907 544363526 /nfs/dbraw/zinc/36/35/26/544363526.db2.gz BPGLNEATFYBCBO-OAHLLOKOSA-N 1 3 366.554 2.142 20 0 FEADHO CC1CCN(CC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000136250011 544369902 /nfs/dbraw/zinc/36/99/02/544369902.db2.gz KTRYBBRLDONUOI-QZTJIDSGSA-N 1 3 351.535 2.066 20 0 FEADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000150978372 544492533 /nfs/dbraw/zinc/49/25/33/544492533.db2.gz ILWKYJFGWCTSLA-KRWDZBQOSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@@H](COc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000151480611 544546747 /nfs/dbraw/zinc/54/67/47/544546747.db2.gz VFLHIKGZYWIICX-KRWDZBQOSA-N 1 3 359.514 2.376 20 0 FEADHO CN(C)C(=O)COc1ccccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000152675853 544682837 /nfs/dbraw/zinc/68/28/37/544682837.db2.gz PNRCIIVLHKLAPM-UHFFFAOYSA-N 1 3 359.514 2.461 20 0 FEADHO CCN1CCN(CCC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000153094400 544732884 /nfs/dbraw/zinc/73/28/84/544732884.db2.gz UZUVBGLDCRSOEW-UHFFFAOYSA-N 1 3 360.546 2.041 20 0 FEADHO CCN1CCN(CCC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000153094400 544732887 /nfs/dbraw/zinc/73/28/87/544732887.db2.gz UZUVBGLDCRSOEW-UHFFFAOYSA-N 1 3 360.546 2.041 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000154404800 544901901 /nfs/dbraw/zinc/90/19/01/544901901.db2.gz LEYZCDMRAHROHZ-GOSISDBHSA-N 1 3 360.502 2.020 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000154404800 544901902 /nfs/dbraw/zinc/90/19/02/544901902.db2.gz LEYZCDMRAHROHZ-GOSISDBHSA-N 1 3 360.502 2.020 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccccc1Br ZINC000154267897 544883451 /nfs/dbraw/zinc/88/34/51/544883451.db2.gz CAVTVZZYEKFRII-UHFFFAOYSA-N 1 3 371.323 2.084 20 0 FEADHO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000553223242 674246025 /nfs/dbraw/zinc/24/60/25/674246025.db2.gz XWHRSZMSFSBECU-INIZCTEOSA-N 1 3 364.559 2.464 20 0 FEADHO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000553223242 674246026 /nfs/dbraw/zinc/24/60/26/674246026.db2.gz XWHRSZMSFSBECU-INIZCTEOSA-N 1 3 364.559 2.464 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000181669780 327741180 /nfs/dbraw/zinc/74/11/80/327741180.db2.gz QHUROSIKMXMCSZ-QYZOEREBSA-N 1 3 359.514 2.271 20 0 FEADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000182684000 327784709 /nfs/dbraw/zinc/78/47/09/327784709.db2.gz SXYRLCMTNRVVQM-LEWJYISDSA-N 1 3 373.541 2.205 20 0 FEADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000188149002 328069584 /nfs/dbraw/zinc/06/95/84/328069584.db2.gz FAIMWQZTYGTTHD-JOCHJYFZSA-N 1 3 373.541 2.202 20 0 FEADHO COCCN1CCC(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000188521123 328092329 /nfs/dbraw/zinc/09/23/29/328092329.db2.gz RYAJNCWCGKMKBH-UHFFFAOYSA-N 1 3 368.566 2.441 20 0 FEADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2[nH]nc3c2CNCC3)cc1 ZINC000188713006 328106247 /nfs/dbraw/zinc/10/62/47/328106247.db2.gz HBUDBDMDYZUJCG-HNNXBMFYSA-N 1 3 367.497 2.360 20 0 FEADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2[nH]nc3c2CNCC3)cc1 ZINC000188713006 328106249 /nfs/dbraw/zinc/10/62/49/328106249.db2.gz HBUDBDMDYZUJCG-HNNXBMFYSA-N 1 3 367.497 2.360 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)cc1 ZINC000189484645 328150943 /nfs/dbraw/zinc/15/09/43/328150943.db2.gz HRZWPSJJMOLAMR-UHFFFAOYSA-N 1 3 374.529 2.410 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000189498697 328151895 /nfs/dbraw/zinc/15/18/95/328151895.db2.gz UHYJVVSSTRWMGW-APWZRJJASA-N 1 3 374.529 2.408 20 0 FEADHO COc1ccccc1COC[C@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193080910 328356100 /nfs/dbraw/zinc/35/61/00/328356100.db2.gz ARJFSNZVAIYNRO-HXUWFJFHSA-N 1 3 362.514 2.381 20 0 FEADHO COCCN1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000195140060 328458002 /nfs/dbraw/zinc/45/80/02/328458002.db2.gz IDPXOUKMHGSMLN-IBGZPJMESA-N 1 3 368.566 2.297 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)[C@@H](CO)SC)CC1 ZINC000088727795 325299729 /nfs/dbraw/zinc/29/97/29/325299729.db2.gz UZYJQVFQATXKNS-QFBILLFUSA-N 1 3 351.560 2.421 20 0 FEADHO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000090395094 325357523 /nfs/dbraw/zinc/35/75/23/325357523.db2.gz XBVJHQBRIXWLDO-RDJZCZTQSA-N 1 3 373.501 2.031 20 0 FEADHO CCN1CCN(CCC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000116454654 326016209 /nfs/dbraw/zinc/01/62/09/326016209.db2.gz TVXFZMGBTSZGBL-IBGZPJMESA-N 1 3 372.557 2.356 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000118772635 326101441 /nfs/dbraw/zinc/10/14/41/326101441.db2.gz QJMBNMODCXYHHG-GOSISDBHSA-N 1 3 358.530 2.433 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000118772635 326101444 /nfs/dbraw/zinc/10/14/44/326101444.db2.gz QJMBNMODCXYHHG-GOSISDBHSA-N 1 3 358.530 2.433 20 0 FEADHO CN(C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)[C@@H]1CCCN(C)C1 ZINC000119130303 326129872 /nfs/dbraw/zinc/12/98/72/326129872.db2.gz CXOHFXMADFIQMH-HXUWFJFHSA-N 1 3 359.514 2.057 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000121367928 326333093 /nfs/dbraw/zinc/33/30/93/326333093.db2.gz ZHFVGFUMGKXDBJ-URVUXULASA-N 1 3 373.589 2.155 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000154262265 326755295 /nfs/dbraw/zinc/75/52/95/326755295.db2.gz HPPAVGWBXOSXFF-INIZCTEOSA-N 1 3 365.518 2.391 20 0 FEADHO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000162997711 327039971 /nfs/dbraw/zinc/03/99/71/327039971.db2.gz DESCNCNUOMULBG-FQEVSTJZSA-N 1 3 359.514 2.057 20 0 FEADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000163248776 327047000 /nfs/dbraw/zinc/04/70/00/327047000.db2.gz IHRIEFLBYNWBPG-JKSUJKDBSA-N 1 3 351.516 2.219 20 0 FEADHO COc1ccccc1CC(=O)N1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000166413650 327081897 /nfs/dbraw/zinc/08/18/97/327081897.db2.gz AHIZINUAIZPKBU-VQTJNVASSA-N 1 3 371.525 2.445 20 0 FEADHO COc1ccccc1CC(=O)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166413650 327081900 /nfs/dbraw/zinc/08/19/00/327081900.db2.gz AHIZINUAIZPKBU-VQTJNVASSA-N 1 3 371.525 2.445 20 0 FEADHO COc1ccccc1CC(=O)N1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166413650 327081901 /nfs/dbraw/zinc/08/19/01/327081901.db2.gz AHIZINUAIZPKBU-VQTJNVASSA-N 1 3 371.525 2.445 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000171036585 327113718 /nfs/dbraw/zinc/11/37/18/327113718.db2.gz YHUCBWLCIVCUIX-SFHVURJKSA-N 1 3 360.502 2.007 20 0 FEADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)NC3CCCC3)CC2)C[C@@H](C)O1 ZINC000171303699 327130964 /nfs/dbraw/zinc/13/09/64/327130964.db2.gz MTDOGOVWVCEFMG-IAGOWNOFSA-N 1 3 351.535 2.257 20 0 FEADHO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000173254209 327244299 /nfs/dbraw/zinc/24/42/99/327244299.db2.gz MZTYVCUPSKEUTF-UXHICEINSA-N 1 3 354.498 2.479 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(OCCN(C)C)cc2)CC[N@@H+]1C ZINC000173754098 327281719 /nfs/dbraw/zinc/28/17/19/327281719.db2.gz RVQNGHKHJBAENP-FUHWJXTLSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(OCCN(C)C)cc2)CC[N@H+]1C ZINC000173754098 327281720 /nfs/dbraw/zinc/28/17/20/327281720.db2.gz RVQNGHKHJBAENP-FUHWJXTLSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCN1C ZINC000173754098 327281722 /nfs/dbraw/zinc/28/17/22/327281722.db2.gz RVQNGHKHJBAENP-FUHWJXTLSA-N 1 3 362.518 2.251 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccsc1 ZINC000173897140 327292403 /nfs/dbraw/zinc/29/24/03/327292403.db2.gz IXLCJOVIUPBCDH-KRWDZBQOSA-N 1 3 352.548 2.348 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccsc1 ZINC000173897140 327292404 /nfs/dbraw/zinc/29/24/04/327292404.db2.gz IXLCJOVIUPBCDH-KRWDZBQOSA-N 1 3 352.548 2.348 20 0 FEADHO COCc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000174411199 327325380 /nfs/dbraw/zinc/32/53/80/327325380.db2.gz WJBABQFDLBBHEX-UHFFFAOYSA-N 1 3 355.482 2.414 20 0 FEADHO C[C@@H](C(=O)NCC1CCCCC1)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174883874 327357759 /nfs/dbraw/zinc/35/77/59/327357759.db2.gz JMGBRSSBVCPZPJ-ICSRJNTNSA-N 1 3 364.578 2.173 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261632378 328807182 /nfs/dbraw/zinc/80/71/82/328807182.db2.gz DAUROPBODNWIFN-KNKQGSTJSA-N 1 3 371.525 2.300 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1(C)C ZINC000262790025 328889667 /nfs/dbraw/zinc/88/96/67/328889667.db2.gz NQUBIQFSJOQKHS-OPYAIIAOSA-N 1 3 365.562 2.489 20 0 FEADHO C[NH+](C)C/C=C/C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000265706419 329152140 /nfs/dbraw/zinc/15/21/40/329152140.db2.gz SOWODJHCYYMLSR-ONEGZZNKSA-N 1 3 365.905 2.417 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000266729529 329253724 /nfs/dbraw/zinc/25/37/24/329253724.db2.gz BCSCJFXZSHXUEE-VQIMIIECSA-N 1 3 358.530 2.210 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[N@H+]1C ZINC000266729529 329253725 /nfs/dbraw/zinc/25/37/25/329253725.db2.gz BCSCJFXZSHXUEE-VQIMIIECSA-N 1 3 358.530 2.210 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000268097658 329384800 /nfs/dbraw/zinc/38/48/00/329384800.db2.gz DDUPRAVJKBLYPL-OXJNMPFZSA-N 1 3 374.529 2.299 20 0 FEADHO CN(C)Cc1ccsc1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000268197534 329396113 /nfs/dbraw/zinc/39/61/13/329396113.db2.gz YITNFBDKFZWURG-UHFFFAOYSA-N 1 3 364.559 2.098 20 0 FEADHO CN(C)Cc1ccsc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000268197534 329396114 /nfs/dbraw/zinc/39/61/14/329396114.db2.gz YITNFBDKFZWURG-UHFFFAOYSA-N 1 3 364.559 2.098 20 0 FEADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(N2CCOCC2)c1 ZINC000268770359 329454228 /nfs/dbraw/zinc/45/42/28/329454228.db2.gz POLMKGGZWODSHQ-SFHVURJKSA-N 1 3 360.546 2.200 20 0 FEADHO CC(C)N(CCN(C)C)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000269737132 329544596 /nfs/dbraw/zinc/54/45/96/329544596.db2.gz WFAUNBRZGQOTON-UHFFFAOYSA-N 1 3 364.534 2.151 20 0 FEADHO OCC[C@H](NCCOCC[NH2+][C@@H](CCO)c1ccccc1)c1ccccc1 ZINC000271632836 329709450 /nfs/dbraw/zinc/70/94/50/329709450.db2.gz FZEFTHBEIRPTAT-VXKWHMMOSA-N 1 3 372.509 2.430 20 0 FEADHO CC[C@@]1(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCC[NH2+]1 ZINC000274339943 329939695 /nfs/dbraw/zinc/93/96/95/329939695.db2.gz AQQVHULJPGJDSO-NRFANRHFSA-N 1 3 358.530 2.237 20 0 FEADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccccc2CCN(C)C)CC1 ZINC000275698303 330078988 /nfs/dbraw/zinc/07/89/88/330078988.db2.gz NSAXHKBXGMDHQN-UHFFFAOYSA-N 1 3 374.529 2.062 20 0 FEADHO CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000433146685 330273117 /nfs/dbraw/zinc/27/31/17/330273117.db2.gz AUIUZLVHYFPBFE-ZWKOTPCHSA-N 1 3 360.502 2.022 20 0 FEADHO CC(C)[N@H+](CCN1CCCCCC1)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000553938845 674295628 /nfs/dbraw/zinc/29/56/28/674295628.db2.gz VDDGOTKZRUZZFS-HSALFYBXSA-N 1 3 355.567 2.043 20 0 FEADHO CC(C)[N@@H+](CCN1CCCCCC1)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000553938845 674295630 /nfs/dbraw/zinc/29/56/30/674295630.db2.gz VDDGOTKZRUZZFS-HSALFYBXSA-N 1 3 355.567 2.043 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)cc2)CC1 ZINC000156568030 545636252 /nfs/dbraw/zinc/63/62/52/545636252.db2.gz IICCTOFRDMGGPY-IEBWSBKVSA-N 1 3 358.530 2.416 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])cc2)CC1 ZINC000156971088 545682981 /nfs/dbraw/zinc/68/29/81/545682981.db2.gz CPBNMZOPKVCVOM-XLIONFOSSA-N 1 3 358.530 2.416 20 0 FEADHO C[NH+](C)CCOc1ccc(CCNC(=O)[C@H](CN)c2ccc(F)cc2)cc1 ZINC000479201150 561184341 /nfs/dbraw/zinc/18/43/41/561184341.db2.gz AXTBVNOTYJUZBP-HXUWFJFHSA-N 1 3 373.472 2.167 20 0 FEADHO CC[NH+](CC)CCCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171326688 546203632 /nfs/dbraw/zinc/20/36/32/546203632.db2.gz QGLAMPCGTYFWGT-QZTJIDSGSA-N 1 3 368.566 2.249 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnn(CC2CC2)c1 ZINC000174483880 546297029 /nfs/dbraw/zinc/29/70/29/546297029.db2.gz GCWONKONSXHNMA-SFHVURJKSA-N 1 3 362.522 2.173 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnn(CC2CC2)c1 ZINC000174483880 546297031 /nfs/dbraw/zinc/29/70/31/546297031.db2.gz GCWONKONSXHNMA-SFHVURJKSA-N 1 3 362.522 2.173 20 0 FEADHO Cc1cccc(NC(=O)CN2CCN(CCC3CC[NH2+]CC3)CC2)c1C ZINC000479689794 561195019 /nfs/dbraw/zinc/19/50/19/561195019.db2.gz RQYDSAZLXMDQHA-UHFFFAOYSA-N 1 3 358.530 2.249 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+]CCCCCS(C)(=O)=O)CC1 ZINC000479859164 561198300 /nfs/dbraw/zinc/19/83/00/561198300.db2.gz AYGMZLIMKQWGDQ-UHFFFAOYSA-N 1 3 367.559 2.133 20 0 FEADHO C[NH+](C)[C@]1(CNC(=O)c2ccc(Nc3ccncc3)cc2)CCSC1 ZINC000480278820 561206292 /nfs/dbraw/zinc/20/62/92/561206292.db2.gz PGDBICOBQUXGKX-IBGZPJMESA-N 1 3 356.495 2.414 20 0 FEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000176464851 546450168 /nfs/dbraw/zinc/45/01/68/546450168.db2.gz BTDROIUEQGUVJA-MOPGFXCFSA-N 1 3 374.529 2.395 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000480501672 561210619 /nfs/dbraw/zinc/21/06/19/561210619.db2.gz WARUXEAORMXYEW-YLJYHZDGSA-N 1 3 356.514 2.389 20 0 FEADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000480501672 561210620 /nfs/dbraw/zinc/21/06/20/561210620.db2.gz WARUXEAORMXYEW-YLJYHZDGSA-N 1 3 356.514 2.389 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481050927 561223806 /nfs/dbraw/zinc/22/38/06/561223806.db2.gz BETRWNWJAYYTJA-AEFFLSMTSA-N 1 3 356.580 2.378 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481050927 561223807 /nfs/dbraw/zinc/22/38/07/561223807.db2.gz BETRWNWJAYYTJA-AEFFLSMTSA-N 1 3 356.580 2.378 20 0 FEADHO CC[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000182240732 547459135 /nfs/dbraw/zinc/45/91/35/547459135.db2.gz XTTKYCGFXYUBAB-VQTJNVASSA-N 1 3 359.514 2.446 20 0 FEADHO COCCN1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182562338 547514246 /nfs/dbraw/zinc/51/42/46/547514246.db2.gz RGUMWPMSMRAOPZ-DLBZAZTESA-N 1 3 366.550 2.049 20 0 FEADHO COCCN1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182562338 547514250 /nfs/dbraw/zinc/51/42/50/547514250.db2.gz RGUMWPMSMRAOPZ-DLBZAZTESA-N 1 3 366.550 2.049 20 0 FEADHO COC(=O)c1cc(CN2CCCC[C@H](N3CCN(C)CC3)C2)c(C)s1 ZINC000182891845 547566567 /nfs/dbraw/zinc/56/65/67/547566567.db2.gz UMOYSWIKHNIJAG-KRWDZBQOSA-N 1 3 365.543 2.445 20 0 FEADHO COC(=O)c1cc(C[N@@H+]2CCCC[C@H](N3CCN(C)CC3)C2)c(C)s1 ZINC000182891845 547566569 /nfs/dbraw/zinc/56/65/69/547566569.db2.gz UMOYSWIKHNIJAG-KRWDZBQOSA-N 1 3 365.543 2.445 20 0 FEADHO COC(=O)c1cc(C[N@H+]2CCCC[C@H](N3CCN(C)CC3)C2)c(C)s1 ZINC000182891845 547566572 /nfs/dbraw/zinc/56/65/72/547566572.db2.gz UMOYSWIKHNIJAG-KRWDZBQOSA-N 1 3 365.543 2.445 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000485606430 561323823 /nfs/dbraw/zinc/32/38/23/561323823.db2.gz BWBQWPDLGIBJHW-FUHWJXTLSA-N 1 3 366.550 2.002 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000485606430 561323824 /nfs/dbraw/zinc/32/38/24/561323824.db2.gz BWBQWPDLGIBJHW-FUHWJXTLSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000485692141 561325839 /nfs/dbraw/zinc/32/58/39/561325839.db2.gz KWKIYSBAMYHNNI-NJAFHUGGSA-N 1 3 357.498 2.289 20 0 FEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000485692141 561325840 /nfs/dbraw/zinc/32/58/40/561325840.db2.gz KWKIYSBAMYHNNI-NJAFHUGGSA-N 1 3 357.498 2.289 20 0 FEADHO COC(=O)c1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195269906 548607876 /nfs/dbraw/zinc/60/78/76/548607876.db2.gz KBZHRNUOZRSBOD-UHFFFAOYSA-N 1 3 374.485 2.153 20 0 FEADHO CC[NH+](CC)CCSCC(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000487114013 561364094 /nfs/dbraw/zinc/36/40/94/561364094.db2.gz PLHXMTKFCYQVRB-CVEARBPZSA-N 1 3 359.605 2.100 20 0 FEADHO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000236904933 548788105 /nfs/dbraw/zinc/78/81/05/548788105.db2.gz PZLNBZOEVHZZJI-BMGDILEWSA-N 1 3 360.502 2.165 20 0 FEADHO COc1cccc([C@@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)N2CCCC2)c1 ZINC000237282893 548814519 /nfs/dbraw/zinc/81/45/19/548814519.db2.gz CYIBAMIHYUCDGK-SJLPKXTDSA-N 1 3 363.527 2.043 20 0 FEADHO O=C(CCC1CC[NH2+]CC1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000237953894 548866780 /nfs/dbraw/zinc/86/67/80/548866780.db2.gz UIMUBFAIDSBUQW-UHFFFAOYSA-N 1 3 372.557 2.485 20 0 FEADHO CCC(CC)(CNC(=O)[C@H]1CN2CCN1CCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000488388782 561389030 /nfs/dbraw/zinc/38/90/30/561389030.db2.gz IIXPPRNWDUGZJD-AZUAARDMSA-N 1 3 372.557 2.402 20 0 FEADHO CC[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(=O)N1CCOCC1 ZINC000248418984 549432530 /nfs/dbraw/zinc/43/25/30/549432530.db2.gz UHDUCXBBFHILSI-JSXRDJHFSA-N 1 3 371.525 2.124 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000248766189 549499122 /nfs/dbraw/zinc/49/91/22/549499122.db2.gz GXPPIEXALBNBQQ-IPMKNSEASA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000248766189 549499126 /nfs/dbraw/zinc/49/91/26/549499126.db2.gz GXPPIEXALBNBQQ-IPMKNSEASA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248779308 549500525 /nfs/dbraw/zinc/50/05/25/549500525.db2.gz HVCJYBSROSLDIM-RNQOJCNYSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248779308 549500527 /nfs/dbraw/zinc/50/05/27/549500527.db2.gz HVCJYBSROSLDIM-RNQOJCNYSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261691993 549743128 /nfs/dbraw/zinc/74/31/28/549743128.db2.gz HOLGIXFSHDYSSK-UXPWSPDFSA-N 1 3 359.514 2.252 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261691993 549743130 /nfs/dbraw/zinc/74/31/30/549743130.db2.gz HOLGIXFSHDYSSK-UXPWSPDFSA-N 1 3 359.514 2.252 20 0 FEADHO COc1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)ccc1OCC(F)(F)F ZINC000262086775 549787625 /nfs/dbraw/zinc/78/76/25/549787625.db2.gz GDAPBTQKRIMJDQ-HNNXBMFYSA-N 1 3 373.419 2.116 20 0 FEADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262145389 549792645 /nfs/dbraw/zinc/79/26/45/549792645.db2.gz QJVYRCNQIDFGLS-LJQANCHMSA-N 1 3 357.477 2.108 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)C3([NH3+])CCCC3)CC2)c1 ZINC000262154523 549793073 /nfs/dbraw/zinc/79/30/73/549793073.db2.gz OCZILQVJPREICN-UHFFFAOYSA-N 1 3 358.530 2.285 20 0 FEADHO [NH3+]C1(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCCCC1 ZINC000262659931 549836469 /nfs/dbraw/zinc/83/64/69/549836469.db2.gz XJXICDLEXSBFEL-UHFFFAOYSA-N 1 3 358.530 2.367 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1(C)C ZINC000262780086 549849205 /nfs/dbraw/zinc/84/92/05/549849205.db2.gz KNBUEUHUXKPCTN-DENIHFKCSA-N 1 3 373.541 2.342 20 0 FEADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000263184980 549883753 /nfs/dbraw/zinc/88/37/53/549883753.db2.gz HFDIXQZHNPGAAU-CDXJDZJCSA-N 1 3 372.513 2.230 20 0 FEADHO CC[N@H+](CCNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1)C(C)C ZINC000490715312 561437669 /nfs/dbraw/zinc/43/76/69/561437669.db2.gz CWFOQGYFHLFREG-SFHVURJKSA-N 1 3 350.507 2.327 20 0 FEADHO CC[N@@H+](CCNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1)C(C)C ZINC000490715312 561437670 /nfs/dbraw/zinc/43/76/70/561437670.db2.gz CWFOQGYFHLFREG-SFHVURJKSA-N 1 3 350.507 2.327 20 0 FEADHO COc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1Cn1cccn1 ZINC000268849355 550123683 /nfs/dbraw/zinc/12/36/83/550123683.db2.gz PLVLEYQNKMHSLM-LPHOPBHVSA-N 1 3 358.486 2.047 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc1OC ZINC000269226828 550169465 /nfs/dbraw/zinc/16/94/65/550169465.db2.gz DYEBBDSLHCTVAC-GOSISDBHSA-N 1 3 365.518 2.405 20 0 FEADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000270899655 550318822 /nfs/dbraw/zinc/31/88/22/550318822.db2.gz RZEIVKKFUAAZGE-NHCUHLMSSA-N 1 3 371.525 2.248 20 0 FEADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000270899655 550318823 /nfs/dbraw/zinc/31/88/23/550318823.db2.gz RZEIVKKFUAAZGE-NHCUHLMSSA-N 1 3 371.525 2.248 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000272534371 550456760 /nfs/dbraw/zinc/45/67/60/550456760.db2.gz FZZDRMTWOQUIMG-KPFFTGBYSA-N 1 3 371.529 2.343 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000272534371 550456761 /nfs/dbraw/zinc/45/67/61/550456761.db2.gz FZZDRMTWOQUIMG-KPFFTGBYSA-N 1 3 371.529 2.343 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000494452335 561470028 /nfs/dbraw/zinc/47/00/28/561470028.db2.gz NUHMINVQGDZIPL-IRLDBZIGSA-N 1 3 371.525 2.233 20 0 FEADHO O=C(NC[C@@H]1CC[NH2+]C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000273065313 550483323 /nfs/dbraw/zinc/48/33/23/550483323.db2.gz UFRYIUBOIIWFGB-WBVHZDCISA-N 1 3 355.404 2.167 20 0 FEADHO CN(c1ccccc1CN1CC[C@H](N2CCCC2=O)C1)C1CC[NH+](C)CC1 ZINC000276762077 550593089 /nfs/dbraw/zinc/59/30/89/550593089.db2.gz HCDOANVWXBEWBC-FQEVSTJZSA-N 1 3 370.541 2.414 20 0 FEADHO C[NH+](C)[C@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000277400739 550665903 /nfs/dbraw/zinc/66/59/03/550665903.db2.gz YLXAZYHOPPZINH-IBGZPJMESA-N 1 3 358.530 2.141 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000494874075 561478270 /nfs/dbraw/zinc/47/82/70/561478270.db2.gz NEQMSLBXLODEDS-KZNAEPCWSA-N 1 3 366.550 2.144 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000277943432 550731449 /nfs/dbraw/zinc/73/14/49/550731449.db2.gz RXPFYVCFIHMTQK-LJQANCHMSA-N 1 3 358.530 2.333 20 0 FEADHO COC[C@H](C)OC[C@H](O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000278057605 550744181 /nfs/dbraw/zinc/74/41/81/550744181.db2.gz JZXZQXPTADHNSP-KOUHRCEDSA-N 1 3 364.530 2.384 20 0 FEADHO COC[C@H](C)OC[C@H](O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000278057605 550744182 /nfs/dbraw/zinc/74/41/82/550744182.db2.gz JZXZQXPTADHNSP-KOUHRCEDSA-N 1 3 364.530 2.384 20 0 FEADHO COC[C@H](C)OC[C@H](O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000278057609 550744307 /nfs/dbraw/zinc/74/43/07/550744307.db2.gz JZXZQXPTADHNSP-YXYSEUPNSA-N 1 3 364.530 2.384 20 0 FEADHO COC[C@H](C)OC[C@H](O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000278057609 550744309 /nfs/dbraw/zinc/74/43/09/550744309.db2.gz JZXZQXPTADHNSP-YXYSEUPNSA-N 1 3 364.530 2.384 20 0 FEADHO CN1CCC(Nc2ccccc2NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC1 ZINC000279114810 550855530 /nfs/dbraw/zinc/85/55/30/550855530.db2.gz YYZNLFBRDQJDEP-CQSZACIVSA-N 1 3 368.485 2.245 20 0 FEADHO CS[C@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@@H]1[NH+](C)C ZINC000495731330 561490731 /nfs/dbraw/zinc/49/07/31/561490731.db2.gz ZVKHSQUGBDRFQC-ROUUACIJSA-N 1 3 356.495 2.365 20 0 FEADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000284140325 551490826 /nfs/dbraw/zinc/49/08/26/551490826.db2.gz OUBSJUJHUBFHDX-HKUYNNGSSA-N 1 3 368.543 2.115 20 0 FEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000498164511 561517501 /nfs/dbraw/zinc/51/75/01/561517501.db2.gz ULRKNBJVVWOPHP-IBGZPJMESA-N 1 3 358.530 2.259 20 0 FEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000498164511 561517502 /nfs/dbraw/zinc/51/75/02/561517502.db2.gz ULRKNBJVVWOPHP-IBGZPJMESA-N 1 3 358.530 2.259 20 0 FEADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](N)CC(F)F ZINC000498216123 561518892 /nfs/dbraw/zinc/51/88/92/561518892.db2.gz LKXRXHARQFDDRG-GFCCVEGCSA-N 1 3 353.417 2.299 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[N@H+](C)CC[C@H]3C)c2)CC1 ZINC000499170494 561545198 /nfs/dbraw/zinc/54/51/98/561545198.db2.gz QKMOIKIEBZQJOH-QGZVFWFLSA-N 1 3 359.518 2.386 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[N@@H+](C)CC[C@H]3C)c2)CC1 ZINC000499170494 561545199 /nfs/dbraw/zinc/54/51/99/561545199.db2.gz QKMOIKIEBZQJOH-QGZVFWFLSA-N 1 3 359.518 2.386 20 0 FEADHO Cc1ccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)n1 ZINC000287213767 551976977 /nfs/dbraw/zinc/97/69/77/551976977.db2.gz CZCXQQPAAKKJKS-UHFFFAOYSA-N 1 3 364.921 2.261 20 0 FEADHO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)[C@H](c1ccccc1)N(C)C ZINC000287237244 551979749 /nfs/dbraw/zinc/97/97/49/551979749.db2.gz AVBJIIUSOSMTNH-SJLPKXTDSA-N 1 3 362.518 2.088 20 0 FEADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000287439310 552004405 /nfs/dbraw/zinc/00/44/05/552004405.db2.gz FXTYMTRYVAJTNN-IMFGXOCKSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1Cc1ccccc1 ZINC000287439310 552004406 /nfs/dbraw/zinc/00/44/06/552004406.db2.gz FXTYMTRYVAJTNN-IMFGXOCKSA-N 1 3 356.514 2.433 20 0 FEADHO FC(F)(F)[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CCO1 ZINC000287621056 552026344 /nfs/dbraw/zinc/02/63/44/552026344.db2.gz JVQLZZPWIPAEGT-WBVHZDCISA-N 1 3 372.435 2.293 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000288074969 552086210 /nfs/dbraw/zinc/08/62/10/552086210.db2.gz FNYPJGPCSMCVJS-LJQANCHMSA-N 1 3 365.518 2.353 20 0 FEADHO CCCN1CCC[C@@H]1C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000500220129 561568059 /nfs/dbraw/zinc/56/80/59/561568059.db2.gz GDONGSBSFMRKCA-LJQANCHMSA-N 1 3 353.551 2.458 20 0 FEADHO CCCN1CCC[C@@H]1C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000500220129 561568060 /nfs/dbraw/zinc/56/80/60/561568060.db2.gz GDONGSBSFMRKCA-LJQANCHMSA-N 1 3 353.551 2.458 20 0 FEADHO COCCOc1ccccc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000289394924 552314123 /nfs/dbraw/zinc/31/41/23/552314123.db2.gz FPCUDFAVODXQFD-UHFFFAOYSA-N 1 3 361.530 2.171 20 0 FEADHO CCC(CC)(CNC(=O)[C@@H](N)CCC(=O)OC)[NH2+][C@@H](C)c1ccccc1 ZINC000290097485 552426985 /nfs/dbraw/zinc/42/69/85/552426985.db2.gz XLWQXDZFPDUDTC-RDJZCZTQSA-N 1 3 363.502 2.293 20 0 FEADHO CC(C)N1CCN(CCC[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)CC1 ZINC000500979619 561586979 /nfs/dbraw/zinc/58/69/79/561586979.db2.gz CBRIBEJLRGOVRP-RTBURBONSA-N 1 3 355.592 2.389 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)CC1 ZINC000500979619 561586980 /nfs/dbraw/zinc/58/69/80/561586980.db2.gz CBRIBEJLRGOVRP-RTBURBONSA-N 1 3 355.592 2.389 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296893074 553226050 /nfs/dbraw/zinc/22/60/50/553226050.db2.gz CZILNEHGFNFKQP-PANBIXPWSA-N 1 3 356.514 2.431 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296893074 553226053 /nfs/dbraw/zinc/22/60/53/553226053.db2.gz CZILNEHGFNFKQP-PANBIXPWSA-N 1 3 356.514 2.431 20 0 FEADHO O=C1[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CCCN1CC(F)(F)F ZINC000297357035 553282704 /nfs/dbraw/zinc/28/27/04/553282704.db2.gz FOQALEVCFOSSQD-HNNXBMFYSA-N 1 3 356.392 2.193 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000297568292 553310083 /nfs/dbraw/zinc/31/00/83/553310083.db2.gz OGHXWBRVPNNWLO-NRFANRHFSA-N 1 3 374.529 2.254 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000297568292 553310085 /nfs/dbraw/zinc/31/00/85/553310085.db2.gz OGHXWBRVPNNWLO-NRFANRHFSA-N 1 3 374.529 2.254 20 0 FEADHO CCO[C@@H]1C[C@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@H]1SC ZINC000297734512 553331973 /nfs/dbraw/zinc/33/19/73/553331973.db2.gz SPLPSCQRIUSZNN-INDMIFKZSA-N 1 3 350.528 2.252 20 0 FEADHO CCO[C@@H]1C[C@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@H]1SC ZINC000297734512 553331975 /nfs/dbraw/zinc/33/19/75/553331975.db2.gz SPLPSCQRIUSZNN-INDMIFKZSA-N 1 3 350.528 2.252 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)[C@H]1SC ZINC000297734512 553331976 /nfs/dbraw/zinc/33/19/76/553331976.db2.gz SPLPSCQRIUSZNN-INDMIFKZSA-N 1 3 350.528 2.252 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)N2CCc3ccccc32)C1 ZINC000503116156 561634691 /nfs/dbraw/zinc/63/46/91/561634691.db2.gz VJJPOEJXYWHRQV-IBGZPJMESA-N 1 3 359.514 2.399 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000298236060 553401778 /nfs/dbraw/zinc/40/17/78/553401778.db2.gz BVERRGIJKSBEQP-UXHICEINSA-N 1 3 374.573 2.275 20 0 FEADHO C[C@@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[NH+](C)C ZINC000299422925 553561155 /nfs/dbraw/zinc/56/11/55/553561155.db2.gz FEWSOUICNRYXSX-HNNXBMFYSA-N 1 3 350.532 2.350 20 0 FEADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](N(C2CCC2)S(C)(=O)=O)CC1 ZINC000328626299 553798280 /nfs/dbraw/zinc/79/82/80/553798280.db2.gz DZTHVHZFAHNOKL-WMZOPIPTSA-N 1 3 357.564 2.139 20 0 FEADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](N(C2CCC2)S(C)(=O)=O)CC1 ZINC000328626299 553798283 /nfs/dbraw/zinc/79/82/83/553798283.db2.gz DZTHVHZFAHNOKL-WMZOPIPTSA-N 1 3 357.564 2.139 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1=Cc2ccccc2OC1 ZINC000505801746 561681245 /nfs/dbraw/zinc/68/12/45/561681245.db2.gz LEPNRVBXRINFPC-LJQANCHMSA-N 1 3 357.498 2.337 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C1=Cc2ccccc2OC1 ZINC000505801746 561681246 /nfs/dbraw/zinc/68/12/46/561681246.db2.gz LEPNRVBXRINFPC-LJQANCHMSA-N 1 3 357.498 2.337 20 0 FEADHO C[NH+](C)CC1CCN(Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000506864093 561710548 /nfs/dbraw/zinc/71/05/48/561710548.db2.gz ZFPHMPSOZCHLPM-UHFFFAOYSA-N 1 3 359.514 2.461 20 0 FEADHO CCN1CCN(CCC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000508197688 561754713 /nfs/dbraw/zinc/75/47/13/561754713.db2.gz HGFHKPYVJHKGBJ-UHFFFAOYSA-N 1 3 372.557 2.316 20 0 FEADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000333091062 554570933 /nfs/dbraw/zinc/57/09/33/554570933.db2.gz CIZBISFELQZCQK-TZIWHRDSSA-N 1 3 359.514 2.242 20 0 FEADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000333090561 554570943 /nfs/dbraw/zinc/57/09/43/554570943.db2.gz CIZBISFELQZCQK-PZJWPPBQSA-N 1 3 359.514 2.242 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)c(C)c2)CC1 ZINC000333132010 554577439 /nfs/dbraw/zinc/57/74/39/554577439.db2.gz JRUWBKGFBNHCQZ-YLJYHZDGSA-N 1 3 371.529 2.353 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)c2)CC1 ZINC000333258050 554595245 /nfs/dbraw/zinc/59/52/45/554595245.db2.gz DMVZQVLANPVWCC-QFBILLFUSA-N 1 3 357.502 2.044 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CCC4(CC[NH2+]4)CC3)c2)CC1 ZINC000333278619 554598005 /nfs/dbraw/zinc/59/80/05/554598005.db2.gz LZATYJDTSPOBLK-UHFFFAOYSA-N 1 3 357.502 2.188 20 0 FEADHO O=C(NC[C@H]1CCC[NH2+]C1)NCC1(N2CCSCC2)CCCCC1 ZINC000333371731 554607159 /nfs/dbraw/zinc/60/71/59/554607159.db2.gz MNRIZXRBYHDVSV-INIZCTEOSA-N 1 3 354.564 2.037 20 0 FEADHO C[C@H]1CN(C(=O)NCC2(N3CCSCC3)CCCCC2)CC[C@H]1[NH3+] ZINC000333401753 554609761 /nfs/dbraw/zinc/60/97/61/554609761.db2.gz QASRZLZEIHHXTG-JKSUJKDBSA-N 1 3 354.564 2.117 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000333851606 554649225 /nfs/dbraw/zinc/64/92/25/554649225.db2.gz QCDKYQGXAVZCFP-ZHALLVOQSA-N 1 3 366.550 2.049 20 0 FEADHO CC(C)C[NH+]1CCC(NC(=O)N2CCCN(C3CCOCC3)CC2)CC1 ZINC000360956454 554896797 /nfs/dbraw/zinc/89/67/97/554896797.db2.gz DBNHRWLPIIZWFI-UHFFFAOYSA-N 1 3 366.550 2.003 20 0 FEADHO CC[N@H+](CCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)C1CC1 ZINC000362998758 555006752 /nfs/dbraw/zinc/00/67/52/555006752.db2.gz WVVAFFSSIUKTJL-GOSISDBHSA-N 1 3 359.518 2.077 20 0 FEADHO CC[N@@H+](CCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)C1CC1 ZINC000362998758 555006754 /nfs/dbraw/zinc/00/67/54/555006754.db2.gz WVVAFFSSIUKTJL-GOSISDBHSA-N 1 3 359.518 2.077 20 0 FEADHO CC1(C)CC(NC(=O)N2CCCN(C3CCOCC3)CC2)CC(C)(C)[NH2+]1 ZINC000363248595 555063008 /nfs/dbraw/zinc/06/30/08/555063008.db2.gz JEQQQZFUYKXWAN-UHFFFAOYSA-N 1 3 366.550 2.192 20 0 FEADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000363570381 555139477 /nfs/dbraw/zinc/13/94/77/555139477.db2.gz YGBLWGGLWYAOFG-UXHICEINSA-N 1 3 374.529 2.191 20 0 FEADHO C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363715321 555170243 /nfs/dbraw/zinc/17/02/43/555170243.db2.gz VDMMEHLWNLWVLY-YSIASYRMSA-N 1 3 353.514 2.499 20 0 FEADHO C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363715321 555170245 /nfs/dbraw/zinc/17/02/45/555170245.db2.gz VDMMEHLWNLWVLY-YSIASYRMSA-N 1 3 353.514 2.499 20 0 FEADHO C[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000363782384 555184893 /nfs/dbraw/zinc/18/48/93/555184893.db2.gz HEQTXQISQZZOSJ-XAMWDVODSA-N 1 3 370.501 2.202 20 0 FEADHO C[C@H](N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000363782384 555184895 /nfs/dbraw/zinc/18/48/95/555184895.db2.gz HEQTXQISQZZOSJ-XAMWDVODSA-N 1 3 370.501 2.202 20 0 FEADHO CN1CC[NH+](CC2(C)CCN(Cc3cccc4c3OCCO4)CC2)CC1 ZINC000363807020 555190039 /nfs/dbraw/zinc/19/00/39/555190039.db2.gz SUCYOPICEYTNOO-UHFFFAOYSA-N 1 3 359.514 2.307 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCO[C@H](C(C)(C)C)C3)CC2)CC1 ZINC000363955378 555221125 /nfs/dbraw/zinc/22/11/25/555221125.db2.gz SQLAWUPHBBEYKR-SFHVURJKSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)cc1)C(C)C ZINC000512384050 561902786 /nfs/dbraw/zinc/90/27/86/561902786.db2.gz JQRBWXKGBBOWKT-HXUWFJFHSA-N 1 3 361.530 2.494 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)cc1)C(C)C ZINC000512384050 561902787 /nfs/dbraw/zinc/90/27/87/561902787.db2.gz JQRBWXKGBBOWKT-HXUWFJFHSA-N 1 3 361.530 2.494 20 0 FEADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CCCN(Cc4cccnc4)C3)[C@@H]2C1 ZINC000365021581 555466773 /nfs/dbraw/zinc/46/67/73/555466773.db2.gz ZFGIXEZTUGHZRM-VAMGGRTRSA-N 1 3 371.529 2.029 20 0 FEADHO C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CCCN(Cc4cccnc4)C3)[C@@H]2C1 ZINC000365021581 555466774 /nfs/dbraw/zinc/46/67/74/555466774.db2.gz ZFGIXEZTUGHZRM-VAMGGRTRSA-N 1 3 371.529 2.029 20 0 FEADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000365443853 555577189 /nfs/dbraw/zinc/57/71/89/555577189.db2.gz PQWKCJQSTTYSQA-QUCCMNQESA-N 1 3 364.578 2.173 20 0 FEADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000365443853 555577191 /nfs/dbraw/zinc/57/71/91/555577191.db2.gz PQWKCJQSTTYSQA-QUCCMNQESA-N 1 3 364.578 2.173 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CCCCCC1 ZINC000365484794 555587797 /nfs/dbraw/zinc/58/77/97/555587797.db2.gz NGXBDSFMAQOWKF-XWSJACJDSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CCCCCC1 ZINC000365484794 555587799 /nfs/dbraw/zinc/58/77/99/555587799.db2.gz NGXBDSFMAQOWKF-XWSJACJDSA-N 1 3 351.535 2.257 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000514056867 561958992 /nfs/dbraw/zinc/95/89/92/561958992.db2.gz NGDUFSDGCCFHJP-QZTJIDSGSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000514056867 561958993 /nfs/dbraw/zinc/95/89/93/561958993.db2.gz NGDUFSDGCCFHJP-QZTJIDSGSA-N 1 3 360.502 2.053 20 0 FEADHO CCCN1CCN(C2CC[NH+](CCCO[C@H]3CCCCO3)CC2)CC1 ZINC000367270373 556004004 /nfs/dbraw/zinc/00/40/04/556004004.db2.gz ZLJOMXPIKCQHER-FQEVSTJZSA-N 1 3 353.551 2.412 20 0 FEADHO Cc1ccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(OCCN(C)C)c1 ZINC000514660836 561972206 /nfs/dbraw/zinc/97/22/06/561972206.db2.gz BCZQJHWZQRRICK-GVDBMIGSSA-N 1 3 360.502 2.445 20 0 FEADHO CN1CCC[C@@H](CNC(=O)C2C[NH2+]C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000367823564 556148303 /nfs/dbraw/zinc/14/83/03/556148303.db2.gz VGLGFLDKCPEBTR-XJKSGUPXSA-N 1 3 355.404 2.424 20 0 FEADHO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)c(C)s1 ZINC000514926840 561987231 /nfs/dbraw/zinc/98/72/31/561987231.db2.gz KRIRNGBBAXCELS-ARFHVFGLSA-N 1 3 371.572 2.106 20 0 FEADHO CCOC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H](N(C)C)C2)c1 ZINC000514931918 561987491 /nfs/dbraw/zinc/98/74/91/561987491.db2.gz CGPUCOIYVKFZAW-OKZBNKHCSA-N 1 3 364.486 2.065 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368001312 556192106 /nfs/dbraw/zinc/19/21/06/556192106.db2.gz YLTUYBAEDLQNEA-ZWKOTPCHSA-N 1 3 365.468 2.491 20 0 FEADHO C[C@@H](NC(C)(C)CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1ccccc1 ZINC000368392535 556295617 /nfs/dbraw/zinc/29/56/17/556295617.db2.gz GQLIGEHFPRNRNX-CCNLRDMRSA-N 1 3 357.498 2.047 20 0 FEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000369016936 556477303 /nfs/dbraw/zinc/47/73/03/556477303.db2.gz PZSOWIUTNHATAJ-JENIJYKNSA-N 1 3 351.535 2.209 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000515755890 562021197 /nfs/dbraw/zinc/02/11/97/562021197.db2.gz UTEFGYBRBBERCK-JXFKEZNVSA-N 1 3 371.529 2.485 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000515755890 562021199 /nfs/dbraw/zinc/02/11/99/562021199.db2.gz UTEFGYBRBBERCK-JXFKEZNVSA-N 1 3 371.529 2.485 20 0 FEADHO O=C(N[C@@H]1CCCN(C2CCCCC2)C1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000369562824 556632081 /nfs/dbraw/zinc/63/20/81/556632081.db2.gz VRGCLFQDAKOHCM-SJLPKXTDSA-N 1 3 359.518 2.335 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)C1CC[NH+](C2CC2)CC1 ZINC000369566805 556633147 /nfs/dbraw/zinc/63/31/47/556633147.db2.gz QXNCWLGNSPEECD-SFHVURJKSA-N 1 3 356.514 2.284 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000369639283 556654873 /nfs/dbraw/zinc/65/48/73/556654873.db2.gz GOTGAIGWMHTBCH-ROUUACIJSA-N 1 3 351.535 2.210 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000369639283 556654875 /nfs/dbraw/zinc/65/48/75/556654875.db2.gz GOTGAIGWMHTBCH-ROUUACIJSA-N 1 3 351.535 2.210 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C[C@H](C)O1 ZINC000370526655 556900127 /nfs/dbraw/zinc/90/01/27/556900127.db2.gz FOGAOUWWDSTILL-HDICACEKSA-N 1 3 363.546 2.353 20 0 FEADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000370624963 556923961 /nfs/dbraw/zinc/92/39/61/556923961.db2.gz SFTGFLQYQTWUBH-SJLPKXTDSA-N 1 3 372.513 2.462 20 0 FEADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)CN1CCN(C)CC1 ZINC000370643864 556928884 /nfs/dbraw/zinc/92/88/84/556928884.db2.gz MAIROPZDHXCQNT-KCZVDYSFSA-N 1 3 358.574 2.370 20 0 FEADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)CN1CCN(C)CC1 ZINC000370643867 556928975 /nfs/dbraw/zinc/92/89/75/556928975.db2.gz MAIROPZDHXCQNT-SJBKTWHCSA-N 1 3 358.574 2.370 20 0 FEADHO COCCOc1ccccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000370697727 556943305 /nfs/dbraw/zinc/94/33/05/556943305.db2.gz LZXXWSJJWDJUPB-QUCCMNQESA-N 1 3 361.530 2.170 20 0 FEADHO COCCOc1ccccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000370697727 556943307 /nfs/dbraw/zinc/94/33/07/556943307.db2.gz LZXXWSJJWDJUPB-QUCCMNQESA-N 1 3 361.530 2.170 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000370736161 556953684 /nfs/dbraw/zinc/95/36/84/556953684.db2.gz BFXZEDQWLYBAEO-OALUTQOASA-N 1 3 372.513 2.210 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000370736161 556953685 /nfs/dbraw/zinc/95/36/85/556953685.db2.gz BFXZEDQWLYBAEO-OALUTQOASA-N 1 3 372.513 2.210 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccnc(N(C)C)c3)CC2)CC1 ZINC000516936061 562065824 /nfs/dbraw/zinc/06/58/24/562065824.db2.gz RBQVCTSKBGWFIT-UHFFFAOYSA-N 1 3 359.518 2.282 20 0 FEADHO C[C@H](C(=O)NC(C)(C)C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371155025 557091532 /nfs/dbraw/zinc/09/15/32/557091532.db2.gz GIAMPJYWMPZIPO-QGZVFWFLSA-N 1 3 366.594 2.418 20 0 FEADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371306786 557139500 /nfs/dbraw/zinc/13/95/00/557139500.db2.gz XWMORQPYHXTCLI-RXVVDRJESA-N 1 3 372.557 2.134 20 0 FEADHO CC(C)N1CCN(C2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC000371341108 557153533 /nfs/dbraw/zinc/15/35/33/557153533.db2.gz LKHQTGCEPTVAJI-UHFFFAOYSA-N 1 3 351.457 2.446 20 0 FEADHO C[C@@H]1CN(CCc2nc3ccccc3n2C)CC[N@@H+]1C1CCN(C)CC1 ZINC000371691520 557264248 /nfs/dbraw/zinc/26/42/48/557264248.db2.gz AUTGIGVHIWAYPC-QGZVFWFLSA-N 1 3 355.530 2.216 20 0 FEADHO C[C@@H]1CN(CCc2nc3ccccc3n2C)CC[N@H+]1C1CCN(C)CC1 ZINC000371691520 557264252 /nfs/dbraw/zinc/26/42/52/557264252.db2.gz AUTGIGVHIWAYPC-QGZVFWFLSA-N 1 3 355.530 2.216 20 0 FEADHO C[C@@H]1CN(CCc2nc3ccccc3n2C)CCN1C1CC[NH+](C)CC1 ZINC000371691520 557264253 /nfs/dbraw/zinc/26/42/53/557264253.db2.gz AUTGIGVHIWAYPC-QGZVFWFLSA-N 1 3 355.530 2.216 20 0 FEADHO CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000371732151 557277477 /nfs/dbraw/zinc/27/74/77/557277477.db2.gz KEUFFUYADWNZPI-CDHQVMDDSA-N 1 3 356.514 2.388 20 0 FEADHO CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000371732151 557277481 /nfs/dbraw/zinc/27/74/81/557277481.db2.gz KEUFFUYADWNZPI-CDHQVMDDSA-N 1 3 356.514 2.388 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000519181748 562126726 /nfs/dbraw/zinc/12/67/26/562126726.db2.gz PJDCTNIAIJFDIR-APHBMKBZSA-N 1 3 371.319 2.468 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000519407391 562131310 /nfs/dbraw/zinc/13/13/10/562131310.db2.gz IWCGWATZMOJHCL-FPOVZHCZSA-N 1 3 370.541 2.433 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000519531336 562133685 /nfs/dbraw/zinc/13/36/85/562133685.db2.gz DWBKERZKUQIFQR-BEFAXECRSA-N 1 3 359.518 2.424 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000519531343 562133718 /nfs/dbraw/zinc/13/37/18/562133718.db2.gz DWBKERZKUQIFQR-HNAYVOBHSA-N 1 3 359.518 2.424 20 0 FEADHO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H](NCc2ccccc2)C1 ZINC000372812349 557567147 /nfs/dbraw/zinc/56/71/47/557567147.db2.gz BJWGXRARZNKCDQ-RBUKOAKNSA-N 1 3 367.497 2.202 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1 ZINC000519691493 562140160 /nfs/dbraw/zinc/14/01/60/562140160.db2.gz CVUMUZFOVSDHEU-QGZVFWFLSA-N 1 3 353.470 2.281 20 0 FEADHO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000373172325 557643072 /nfs/dbraw/zinc/64/30/72/557643072.db2.gz INZSJPCMJXSIBX-SESVDKBCSA-N 1 3 364.530 2.385 20 0 FEADHO COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@H](N(C)Cc2ccccc2)CC1 ZINC000373172325 557643073 /nfs/dbraw/zinc/64/30/73/557643073.db2.gz INZSJPCMJXSIBX-SESVDKBCSA-N 1 3 364.530 2.385 20 0 FEADHO CC(C)CS(=O)(=O)N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000373198813 557648545 /nfs/dbraw/zinc/64/85/45/557648545.db2.gz SZLCQRJNIQVGIQ-UHFFFAOYSA-N 1 3 371.591 2.433 20 0 FEADHO CCN(CCC[NH+](CC)CC)C(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000373350916 557677873 /nfs/dbraw/zinc/67/78/73/557677873.db2.gz QVEGPJJNKRHFAS-UHFFFAOYSA-N 1 3 364.538 2.736 20 0 FEADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCc1ccc(OC(F)F)cc1 ZINC000520408471 562155864 /nfs/dbraw/zinc/15/58/64/562155864.db2.gz TVGCGIOYBOHGRF-CVEARBPZSA-N 1 3 367.440 2.226 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H](C)n4ccnc43)CC2)CC1 ZINC000520608128 562160278 /nfs/dbraw/zinc/16/02/78/562160278.db2.gz RQNFEZRKUFWLMN-MAUKXSAKSA-N 1 3 359.518 2.201 20 0 FEADHO CC(=O)N1CC[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)c2ccccc2C1 ZINC000374226999 557846943 /nfs/dbraw/zinc/84/69/43/557846943.db2.gz CURDVIYBYNWGDW-FQEVSTJZSA-N 1 3 358.530 2.096 20 0 FEADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000521216471 562171871 /nfs/dbraw/zinc/17/18/71/562171871.db2.gz PSRFXAZBKGDQKL-DLBZAZTESA-N 1 3 366.550 2.097 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](C[C@@H]3CCOC3)C2)CC1 ZINC000375012092 557964197 /nfs/dbraw/zinc/96/41/97/557964197.db2.gz JTBFSFKNGNIPDU-ROUUACIJSA-N 1 3 351.535 2.114 20 0 FEADHO COc1cccc(OCC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000375243978 557997299 /nfs/dbraw/zinc/99/72/99/557997299.db2.gz CJXPFUWIORHWJH-UHFFFAOYSA-N 1 3 361.530 2.424 20 0 FEADHO COc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c(C)c1OC ZINC000521512666 562177828 /nfs/dbraw/zinc/17/78/28/562177828.db2.gz ZKTQNAMGPFKEAN-LPHOPBHVSA-N 1 3 361.530 2.470 20 0 FEADHO COc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c(C)c1OC ZINC000521512666 562177829 /nfs/dbraw/zinc/17/78/29/562177829.db2.gz ZKTQNAMGPFKEAN-LPHOPBHVSA-N 1 3 361.530 2.470 20 0 FEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000375979261 558108943 /nfs/dbraw/zinc/10/89/43/558108943.db2.gz CWXGWGBBFCVHOP-FHWLQOOXSA-N 1 3 359.518 2.248 20 0 FEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000375979261 558108945 /nfs/dbraw/zinc/10/89/45/558108945.db2.gz CWXGWGBBFCVHOP-FHWLQOOXSA-N 1 3 359.518 2.248 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc2)CC1 ZINC000376196840 558139640 /nfs/dbraw/zinc/13/96/40/558139640.db2.gz NSCVBRZJXIOIRC-FPOVZHCZSA-N 1 3 370.541 2.433 20 0 FEADHO C[C@@H]1CN(C[C@@H](O)Cc2cccc(Cl)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000376519650 558184652 /nfs/dbraw/zinc/18/46/52/558184652.db2.gz REFRTBSHWBDXHE-UXPWSPDFSA-N 1 3 365.949 2.201 20 0 FEADHO C[C@@H]1CN(C[C@H](O)Cc2cccc(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000376519648 558184832 /nfs/dbraw/zinc/18/48/32/558184832.db2.gz REFRTBSHWBDXHE-NSISKUIASA-N 1 3 365.949 2.201 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000522290430 562196299 /nfs/dbraw/zinc/19/62/99/562196299.db2.gz XSXLKWHKLYELSA-UYAOXDASSA-N 1 3 371.529 2.314 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000522290430 562196300 /nfs/dbraw/zinc/19/63/00/562196300.db2.gz XSXLKWHKLYELSA-UYAOXDASSA-N 1 3 371.529 2.314 20 0 FEADHO CC(C)(C)OC(=O)NCCOCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000377820725 558426324 /nfs/dbraw/zinc/42/63/24/558426324.db2.gz HKHFNKFXBKWJQB-SJLPKXTDSA-N 1 3 367.534 2.476 20 0 FEADHO CC(C)(C)OC(=O)NCCOCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000377820725 558426327 /nfs/dbraw/zinc/42/63/27/558426327.db2.gz HKHFNKFXBKWJQB-SJLPKXTDSA-N 1 3 367.534 2.476 20 0 FEADHO O=C(CC1(N2CCOCC2)CCCC1)NCCC[NH+]1CCCCCC1 ZINC000522847569 562204698 /nfs/dbraw/zinc/20/46/98/562204698.db2.gz AOQDVNOMZZJNGH-UHFFFAOYSA-N 1 3 351.535 2.404 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ccc(Cn2cncn2)cc1 ZINC000378151182 558491506 /nfs/dbraw/zinc/49/15/06/558491506.db2.gz OKOPGJJSFUVNCQ-JRGCBEDISA-N 1 3 369.513 2.305 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ccc(Cn2cncn2)cc1 ZINC000378151182 558491509 /nfs/dbraw/zinc/49/15/09/558491509.db2.gz OKOPGJJSFUVNCQ-JRGCBEDISA-N 1 3 369.513 2.305 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378233515 558508107 /nfs/dbraw/zinc/50/81/07/558508107.db2.gz UXGIFCDZGUVZAH-PZJWPPBQSA-N 1 3 370.541 2.189 20 0 FEADHO C[NH+]1CCC2(CC1)C[C@H](NC[C@@H]1CN(C3CC3)CCO1)c1ccccc1O2 ZINC000378439550 558557554 /nfs/dbraw/zinc/55/75/54/558557554.db2.gz REYDQBCRIKSFGD-QUCCMNQESA-N 1 3 371.525 2.427 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCCN(C(C)C)CC2)[C@@H](C)C1 ZINC000523769172 562219459 /nfs/dbraw/zinc/21/94/59/562219459.db2.gz KAHGERCTYJPSMY-OALUTQOASA-N 1 3 368.566 2.249 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCCN(C(C)C)CC2)[C@@H](C)C1 ZINC000523769172 562219460 /nfs/dbraw/zinc/21/94/60/562219460.db2.gz KAHGERCTYJPSMY-OALUTQOASA-N 1 3 368.566 2.249 20 0 FEADHO COC(=O)C1CCN(CCC(C)CC[NH+]2CCC(C(=O)OC)CC2)CC1 ZINC000411160139 558846521 /nfs/dbraw/zinc/84/65/21/558846521.db2.gz WSHNQNUKIACBTJ-UHFFFAOYSA-N 1 3 368.518 2.173 20 0 FEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411416006 558891015 /nfs/dbraw/zinc/89/10/15/558891015.db2.gz CGCMFJAVUIUYBI-MOPGFXCFSA-N 1 3 372.513 2.080 20 0 FEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412298888 559026095 /nfs/dbraw/zinc/02/60/95/559026095.db2.gz GSNJRZLWXYNVOF-DLBZAZTESA-N 1 3 353.576 2.441 20 0 FEADHO Cc1cc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c2ccccc2n1 ZINC000413475301 559110679 /nfs/dbraw/zinc/11/06/79/559110679.db2.gz COOPNSNPFZLXLA-UHFFFAOYSA-N 1 3 354.498 2.174 20 0 FEADHO COc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1F ZINC000414189339 559152146 /nfs/dbraw/zinc/15/21/46/559152146.db2.gz JOHPBAVIEWUANS-MRXNPFEDSA-N 1 3 365.493 2.282 20 0 FEADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1N(C)C ZINC000414201680 559152614 /nfs/dbraw/zinc/15/26/14/559152614.db2.gz SYCNRVVMRKGLML-GOSISDBHSA-N 1 3 360.546 2.200 20 0 FEADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414202199 559152800 /nfs/dbraw/zinc/15/28/00/559152800.db2.gz UGTAVCMPBWEAFR-OXQOHEQNSA-N 1 3 361.505 2.445 20 0 FEADHO C[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1nc2ccccc2n1C ZINC000414204315 559153033 /nfs/dbraw/zinc/15/30/33/559153033.db2.gz WDVWKSMXIFUFDS-KRWDZBQOSA-N 1 3 371.529 2.021 20 0 FEADHO CN1CCC(C[NH2+]CCc2ccc(F)cc2Cl)(N2CCOCC2)CC1 ZINC000414490547 559168198 /nfs/dbraw/zinc/16/81/98/559168198.db2.gz XWEUHEGCBJCXEK-UHFFFAOYSA-N 1 3 369.912 2.408 20 0 FEADHO Cc1cccc(C)c1NC(=O)CN1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414727640 559182510 /nfs/dbraw/zinc/18/25/10/559182510.db2.gz BISJFOGFURBELO-MOPGFXCFSA-N 1 3 358.530 2.248 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)cc1 ZINC000414737547 559183456 /nfs/dbraw/zinc/18/34/56/559183456.db2.gz HHWPKTVKVUWEGW-CABCVRRESA-N 1 3 360.502 2.272 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)C1 ZINC000414752451 559184860 /nfs/dbraw/zinc/18/48/60/559184860.db2.gz KROMMCYOYCYGJW-QAPCUYQASA-N 1 3 361.461 2.060 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)C1 ZINC000414752451 559184862 /nfs/dbraw/zinc/18/48/62/559184862.db2.gz KROMMCYOYCYGJW-QAPCUYQASA-N 1 3 361.461 2.060 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000414754616 559185166 /nfs/dbraw/zinc/18/51/66/559185166.db2.gz NYASQCALFFQIOP-IXDOHACOSA-N 1 3 374.529 2.217 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000414821770 559189537 /nfs/dbraw/zinc/18/95/37/559189537.db2.gz LTNLWCMALQWELP-UHFFFAOYSA-N 1 3 360.502 2.117 20 0 FEADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000414824032 559189719 /nfs/dbraw/zinc/18/97/19/559189719.db2.gz PXGYCQWMYRASCC-INIZCTEOSA-N 1 3 374.529 2.361 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1 ZINC000414823887 559189724 /nfs/dbraw/zinc/18/97/24/559189724.db2.gz PPHRULOLABUDBT-HOTGVXAUSA-N 1 3 368.481 2.282 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2CCCC[C@@H]2CC)c1 ZINC000414834317 559190052 /nfs/dbraw/zinc/19/00/52/559190052.db2.gz QPORLNLXEOOJKP-SFHVURJKSA-N 1 3 360.502 2.115 20 0 FEADHO CC(C)c1ccc([C@H](N)C[NH2+]Cc2cnc(N3CCN(C)CC3)nc2)cc1 ZINC000414852598 559190943 /nfs/dbraw/zinc/19/09/43/559190943.db2.gz WCWXUNIJZNVODY-HXUWFJFHSA-N 1 3 368.529 2.141 20 0 FEADHO Cc1ccc2cc(CNC[C@H](N3CC[NH2+]CC3)C(F)(F)F)ccc2n1 ZINC000414972083 559198096 /nfs/dbraw/zinc/19/80/96/559198096.db2.gz LWXXZSNUBBENGE-KRWDZBQOSA-N 1 3 352.404 2.469 20 0 FEADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CNCCCO1 ZINC000415028910 559201320 /nfs/dbraw/zinc/20/13/20/559201320.db2.gz AMMIFLBFPIBEED-JSGCOSHPSA-N 1 3 355.866 2.034 20 0 FEADHO Cc1cc(C)c(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(C)c1 ZINC000415137390 559207820 /nfs/dbraw/zinc/20/78/20/559207820.db2.gz IXDBCCTVSFSBGJ-UXHICEINSA-N 1 3 356.514 2.332 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC000415137073 559207910 /nfs/dbraw/zinc/20/79/10/559207910.db2.gz DPMREIPGUCJZJP-IBGZPJMESA-N 1 3 359.514 2.441 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)C12CCCN1CCC2)c1ccccc1 ZINC000415137073 559207911 /nfs/dbraw/zinc/20/79/11/559207911.db2.gz DPMREIPGUCJZJP-IBGZPJMESA-N 1 3 359.514 2.441 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)C12CCCN1CCC2)c1ccccc1 ZINC000415137073 559207912 /nfs/dbraw/zinc/20/79/12/559207912.db2.gz DPMREIPGUCJZJP-IBGZPJMESA-N 1 3 359.514 2.441 20 0 FEADHO COc1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cc1O ZINC000415139491 559208195 /nfs/dbraw/zinc/20/81/95/559208195.db2.gz XCXLFYYWNVBWFM-UHFFFAOYSA-N 1 3 355.482 2.484 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000415388914 559230223 /nfs/dbraw/zinc/23/02/23/559230223.db2.gz SFRRECOIMXGAPQ-OAHLLOKOSA-N 1 3 360.502 2.053 20 0 FEADHO CC(C)C[C@H](CN)NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415424311 559234489 /nfs/dbraw/zinc/23/44/89/559234489.db2.gz HYTCUUVDVCYADN-LJQANCHMSA-N 1 3 374.529 2.347 20 0 FEADHO CC(C)C[C@H](CN)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415422920 559234589 /nfs/dbraw/zinc/23/45/89/559234589.db2.gz DYNSJQAFKQDUTI-VQIMIIECSA-N 1 3 374.529 2.347 20 0 FEADHO CC(C)C[C@H](CN)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415422920 559234591 /nfs/dbraw/zinc/23/45/91/559234591.db2.gz DYNSJQAFKQDUTI-VQIMIIECSA-N 1 3 374.529 2.347 20 0 FEADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000415444224 559237598 /nfs/dbraw/zinc/23/75/98/559237598.db2.gz OGROILXKQGZVRB-WMZOPIPTSA-N 1 3 372.513 2.197 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)ccc1CN(C)C ZINC000415457245 559239148 /nfs/dbraw/zinc/23/91/48/559239148.db2.gz XDLOVLNSYFVSDO-UHFFFAOYSA-N 1 3 374.529 2.424 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NCC3(C)CC[NH2+]CC3)c2)CC1 ZINC000415504986 559244707 /nfs/dbraw/zinc/24/47/07/559244707.db2.gz WYCLCUHFQYBNCB-UHFFFAOYSA-N 1 3 359.518 2.340 20 0 FEADHO COCCCN(C)CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415968379 559285691 /nfs/dbraw/zinc/28/56/91/559285691.db2.gz IYJNTHHJFMNYEN-UHFFFAOYSA-N 1 3 362.396 2.254 20 0 FEADHO [NH3+]CC[C@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)C(F)(F)F ZINC000416004598 559288688 /nfs/dbraw/zinc/28/86/88/559288688.db2.gz ISJPHSYYGBYJCF-CABCVRRESA-N 1 3 358.408 2.230 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416227219 559299789 /nfs/dbraw/zinc/29/97/89/559299789.db2.gz WJZLBBYQCSOKNA-YLJYHZDGSA-N 1 3 359.514 2.391 20 0 FEADHO CN(C)[C@H](CNC(=O)NCCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000416797774 559333113 /nfs/dbraw/zinc/33/31/13/559333113.db2.gz BEERVMUJAFJXCS-LJQANCHMSA-N 1 3 355.486 2.163 20 0 FEADHO CN(C)Cc1ccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000416893062 559336841 /nfs/dbraw/zinc/33/68/41/559336841.db2.gz RCTCOEUBBXAOKY-VQTJNVASSA-N 1 3 352.482 2.385 20 0 FEADHO CCN(CC)[C@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416917629 559338214 /nfs/dbraw/zinc/33/82/14/559338214.db2.gz IBKZQAXHKQQTLK-QFBILLFUSA-N 1 3 362.518 2.377 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1ccsc1 ZINC000416997983 559342841 /nfs/dbraw/zinc/34/28/41/559342841.db2.gz AKWVZKQBDWRDKA-DJIMGWMZSA-N 1 3 350.532 2.382 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N[C@H](C)CCC[NH3+])CC2)cc1 ZINC000417329815 559357925 /nfs/dbraw/zinc/35/79/25/559357925.db2.gz JYFYIKGWDSZBTL-MRXNPFEDSA-N 1 3 362.518 2.334 20 0 FEADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000417356527 559359050 /nfs/dbraw/zinc/35/90/50/559359050.db2.gz CILOXWIJOMTUEK-HZPDHXFCSA-N 1 3 350.532 2.354 20 0 FEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000417363417 559359231 /nfs/dbraw/zinc/35/92/31/559359231.db2.gz KLGPBOFNHWQOQX-ARFHVFGLSA-N 1 3 350.532 2.352 20 0 FEADHO CCc1ccccc1[C@H](N)CNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000417438071 559362235 /nfs/dbraw/zinc/36/22/35/559362235.db2.gz IOUTVFZTBLQBQJ-LJQANCHMSA-N 1 3 362.518 2.049 20 0 FEADHO C[NH2+][C@H]1CCCN(C(=O)N[C@@H](CCN(C)CCOC)c2ccccc2)C1 ZINC000417499058 559364817 /nfs/dbraw/zinc/36/48/17/559364817.db2.gz DRVUHTURAXZMSA-OALUTQOASA-N 1 3 362.518 2.089 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)NC[C@@H](N)c3ccccc3)CCCC2)CC1 ZINC000417546349 559366471 /nfs/dbraw/zinc/36/64/71/559366471.db2.gz MIZMTXBOHHGLKA-LJQANCHMSA-N 1 3 374.529 2.409 20 0 FEADHO COc1cc(NC(=O)NCC2=CCN(C)CC2)ccc1OCC[NH+](C)C ZINC000417677293 559372097 /nfs/dbraw/zinc/37/20/97/559372097.db2.gz FNLZFKUJZXYQEI-UHFFFAOYSA-N 1 3 362.474 2.019 20 0 FEADHO CCc1ccccc1[C@H](N)CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000417688589 559372419 /nfs/dbraw/zinc/37/24/19/559372419.db2.gz XGNQHYJPEYDTFK-OXQOHEQNSA-N 1 3 374.529 2.049 20 0 FEADHO CN1CCC[C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[C@@H]1c1cccs1 ZINC000417734290 559374468 /nfs/dbraw/zinc/37/44/68/559374468.db2.gz JSBWIRBKWFGYKI-MUQADHOPSA-N 1 3 362.543 2.382 20 0 FEADHO C[C@H](CCNC(=O)N[C@H]1CNCCC1(F)F)[N@H+](C)Cc1ccccc1 ZINC000417817996 559377506 /nfs/dbraw/zinc/37/75/06/559377506.db2.gz RXWFSSGQSUVOSZ-ZBFHGGJFSA-N 1 3 354.445 2.193 20 0 FEADHO C[C@H](CCNC(=O)N[C@H]1CNCCC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000417817996 559377507 /nfs/dbraw/zinc/37/75/07/559377507.db2.gz RXWFSSGQSUVOSZ-ZBFHGGJFSA-N 1 3 354.445 2.193 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000417831617 559378240 /nfs/dbraw/zinc/37/82/40/559378240.db2.gz HYUJUACJACNFLF-GSEOLPGOSA-N 1 3 356.514 2.290 20 0 FEADHO CC(C)C[C@H](CNC(=O)N1CCOC2(CNC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417868936 559380101 /nfs/dbraw/zinc/38/01/01/559380101.db2.gz GYKKKAKKGMZVNF-IEBWSBKVSA-N 1 3 374.529 2.136 20 0 FEADHO CN1CC[C@@H](NC(=O)NCCC[NH2+]Cc2cccnc2)[C@@H]1c1ccccc1 ZINC000417944716 559383021 /nfs/dbraw/zinc/38/30/21/559383021.db2.gz PWLOXUHDTKRQBR-UXHICEINSA-N 1 3 367.497 2.306 20 0 FEADHO O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418111043 559390391 /nfs/dbraw/zinc/39/03/91/559390391.db2.gz XCPOHMGDGRZXAI-TZIWHRDSSA-N 1 3 356.514 2.294 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000418229264 559394667 /nfs/dbraw/zinc/39/46/67/559394667.db2.gz GOOUERSRTRAJQK-BQFCYCMXSA-N 1 3 362.543 2.262 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCC[NH2+]C3CC3)CC2)C[C@@H](C)O1 ZINC000418286315 559396439 /nfs/dbraw/zinc/39/64/39/559396439.db2.gz RELWGYIOLSNLDN-IAGOWNOFSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@@H](C[NH3+])NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000418288971 559396564 /nfs/dbraw/zinc/39/65/64/559396564.db2.gz IXNNYWDOSYDYGN-RYGJVYDSSA-N 1 3 370.472 2.440 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418344289 559398322 /nfs/dbraw/zinc/39/83/22/559398322.db2.gz KKEBTZOUQMAKCB-AZUAARDMSA-N 1 3 373.545 2.467 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418551699 559405878 /nfs/dbraw/zinc/40/58/78/559405878.db2.gz BMMPUXHWIJXAJP-UYAOXDASSA-N 1 3 358.530 2.335 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418567170 559406608 /nfs/dbraw/zinc/40/66/08/559406608.db2.gz GHRDSFLAPNXLDP-DYVFJYSZSA-N 1 3 354.445 2.036 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418642885 559409090 /nfs/dbraw/zinc/40/90/90/559409090.db2.gz OUGLPIJJKAHUPX-HXUWFJFHSA-N 1 3 371.529 2.387 20 0 FEADHO CCc1ccccc1[C@@H](N)CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000418651513 559409608 /nfs/dbraw/zinc/40/96/08/559409608.db2.gz LPDHQJZGJOBUMF-SLFFLAALSA-N 1 3 352.482 2.385 20 0 FEADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000418655667 559409842 /nfs/dbraw/zinc/40/98/42/559409842.db2.gz CUNNGIZGYISWDP-VQTJNVASSA-N 1 3 358.530 2.456 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418784916 559415964 /nfs/dbraw/zinc/41/59/64/559415964.db2.gz HKCJLBJRQRIWOB-GBESFXJTSA-N 1 3 359.518 2.205 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418806609 559416861 /nfs/dbraw/zinc/41/68/61/559416861.db2.gz YRUQFEOFCJCPNU-HRCADAONSA-N 1 3 350.532 2.209 20 0 FEADHO C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320597 559480081 /nfs/dbraw/zinc/48/00/81/559480081.db2.gz BNBVPXAILJCPIJ-QLFBSQMISA-N 1 3 362.449 2.184 20 0 FEADHO NCc1cn([C@H]2CCC[N@H+](CCOc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000420371862 559483784 /nfs/dbraw/zinc/48/37/84/559483784.db2.gz DPZYNXUBTBQZLC-HNNXBMFYSA-N 1 3 369.391 2.472 20 0 FEADHO NCc1cn([C@H]2CCC[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000420371862 559483785 /nfs/dbraw/zinc/48/37/85/559483785.db2.gz DPZYNXUBTBQZLC-HNNXBMFYSA-N 1 3 369.391 2.472 20 0 FEADHO CC[C@@H]1C[C@H](NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)CCO1 ZINC000422242234 559573021 /nfs/dbraw/zinc/57/30/21/559573021.db2.gz UAVZCCFUTZXPHU-KZNAEPCWSA-N 1 3 354.539 2.002 20 0 FEADHO CC[C@@H]1C[C@H](NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)CCO1 ZINC000422242234 559573022 /nfs/dbraw/zinc/57/30/22/559573022.db2.gz UAVZCCFUTZXPHU-KZNAEPCWSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@H](NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)C1C[NH2+]C1 ZINC000422786579 559606597 /nfs/dbraw/zinc/60/65/97/559606597.db2.gz SQZPKWHZWBHUFG-ZDUSSCGKSA-N 1 3 356.436 2.155 20 0 FEADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422786304 559606652 /nfs/dbraw/zinc/60/66/52/559606652.db2.gz KTRZQDSAFSDBJD-GDBMZVCRSA-N 1 3 371.572 2.182 20 0 FEADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422786304 559606653 /nfs/dbraw/zinc/60/66/53/559606653.db2.gz KTRZQDSAFSDBJD-GDBMZVCRSA-N 1 3 371.572 2.182 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2ccnc(N3CCCC3)c2)CC[NH2+]CC1 ZINC000422820800 559607347 /nfs/dbraw/zinc/60/73/47/559607347.db2.gz SHBFEBNIJNCYDJ-INIZCTEOSA-N 1 3 360.502 2.093 20 0 FEADHO CN1CCN(c2cc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)ccn2)CC1 ZINC000422879346 559609607 /nfs/dbraw/zinc/60/96/07/559609607.db2.gz KGQNWFVHXBGKPT-XUVXKRRUSA-N 1 3 357.546 2.234 20 0 FEADHO CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422896572 559610188 /nfs/dbraw/zinc/61/01/88/559610188.db2.gz AMLCLPOMLITPLM-WMZOPIPTSA-N 1 3 353.532 2.323 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000422900836 559610427 /nfs/dbraw/zinc/61/04/27/559610427.db2.gz JZNRNZJKNSFXSE-MSOLQXFVSA-N 1 3 353.532 2.264 20 0 FEADHO CCOC(=O)C1([C@H](C)Nc2cccc(OCCN(C)C)c2)CC[NH2+]CC1 ZINC000422914671 559611071 /nfs/dbraw/zinc/61/10/71/559611071.db2.gz VKBIQCYCGALAOT-INIZCTEOSA-N 1 3 363.502 2.360 20 0 FEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000422940296 559612047 /nfs/dbraw/zinc/61/20/47/559612047.db2.gz GVKLYNWVWKXKOC-PKOBYXMFSA-N 1 3 365.543 2.194 20 0 FEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423150358 559620879 /nfs/dbraw/zinc/62/08/79/559620879.db2.gz BSEBNJFSDRBHLT-XEZPLFJOSA-N 1 3 359.283 2.456 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423150358 559620880 /nfs/dbraw/zinc/62/08/80/559620880.db2.gz BSEBNJFSDRBHLT-XEZPLFJOSA-N 1 3 359.283 2.456 20 0 FEADHO C[C@H]([NH3+])C[C@H](C)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 ZINC000423154947 559621299 /nfs/dbraw/zinc/62/12/99/559621299.db2.gz PQRLVCOJMZTTKM-OALUTQOASA-N 1 3 360.546 2.073 20 0 FEADHO COc1ccc(C[C@H](CO)CN[C@H](C)C[C@H](C)[NH3+])cc1Br ZINC000423162779 559621475 /nfs/dbraw/zinc/62/14/75/559621475.db2.gz QBSACRDHHOIYTB-SCRDCRAPSA-N 1 3 359.308 2.324 20 0 FEADHO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)C[C@H](C)N)cc1Br ZINC000423162779 559621476 /nfs/dbraw/zinc/62/14/76/559621476.db2.gz QBSACRDHHOIYTB-SCRDCRAPSA-N 1 3 359.308 2.324 20 0 FEADHO COC[C@@]1(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CC[NH2+]C1 ZINC000423353316 559626378 /nfs/dbraw/zinc/62/63/78/559626378.db2.gz LRRIOVUHWFXEAR-TZIWHRDSSA-N 1 3 359.514 2.202 20 0 FEADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423437186 559629172 /nfs/dbraw/zinc/62/91/72/559629172.db2.gz TZDSLIZXKYQMNS-DFEOGRTESA-N 1 3 351.535 2.112 20 0 FEADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000423760372 559638712 /nfs/dbraw/zinc/63/87/12/559638712.db2.gz NCTDNCBXDUTPBL-ABSDTBQOSA-N 1 3 351.535 2.242 20 0 FEADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000423760372 559638713 /nfs/dbraw/zinc/63/87/13/559638713.db2.gz NCTDNCBXDUTPBL-ABSDTBQOSA-N 1 3 351.535 2.242 20 0 FEADHO CN(C)C[C@H](NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccc(Cl)cc1 ZINC000423782282 559639087 /nfs/dbraw/zinc/63/90/87/559639087.db2.gz YUDSXCIVZMKPKG-DYVFJYSZSA-N 1 3 361.877 2.173 20 0 FEADHO C[C@@H]1C[C@H](CCNC(=O)CNC[C@@H]2CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000423894653 559644453 /nfs/dbraw/zinc/64/44/53/559644453.db2.gz FASQFSHQEQLZJL-HOJAQTOUSA-N 1 3 359.514 2.172 20 0 FEADHO C[C@@H]1C[C@H](CCNC(=O)CNC[C@@H]2CCCO2)C[N@H+]1Cc1ccccc1 ZINC000423894653 559644454 /nfs/dbraw/zinc/64/44/54/559644454.db2.gz FASQFSHQEQLZJL-HOJAQTOUSA-N 1 3 359.514 2.172 20 0 FEADHO N[C@H](CC(F)F)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423909702 559645025 /nfs/dbraw/zinc/64/50/25/559645025.db2.gz UIINMYONHMOUOC-GVDBMIGSSA-N 1 3 351.441 2.482 20 0 FEADHO N[C@H](CC(F)F)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423909702 559645026 /nfs/dbraw/zinc/64/50/26/559645026.db2.gz UIINMYONHMOUOC-GVDBMIGSSA-N 1 3 351.441 2.482 20 0 FEADHO CCN(C)[C@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000423948777 559647713 /nfs/dbraw/zinc/64/77/13/559647713.db2.gz LOVFLNSKXNYDIY-MHJFOBGBSA-N 1 3 358.530 2.012 20 0 FEADHO CCN(C)[C@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000423948777 559647714 /nfs/dbraw/zinc/64/77/14/559647714.db2.gz LOVFLNSKXNYDIY-MHJFOBGBSA-N 1 3 358.530 2.012 20 0 FEADHO CC[NH+](CC)CCSCC(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000424042060 559652473 /nfs/dbraw/zinc/65/24/73/559652473.db2.gz VUSYEXXZNAVSOV-DOTOQJQBSA-N 1 3 353.507 2.154 20 0 FEADHO C[C@H]1CC2(CN1CC(=O)N(C)CCOc1ccccc1F)CC[NH2+]CC2 ZINC000424295312 559660815 /nfs/dbraw/zinc/66/08/15/559660815.db2.gz RGCUBAZNLJVEQV-INIZCTEOSA-N 1 3 363.477 2.127 20 0 FEADHO O=C(NCCC[C@H]1CCC[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424470281 559666388 /nfs/dbraw/zinc/66/63/88/559666388.db2.gz QICXZKPZBDYMLY-XUVXKRRUSA-N 1 3 356.514 2.435 20 0 FEADHO C[C@H]1[C@@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CCN1Cc1ccccc1 ZINC000425771565 559718851 /nfs/dbraw/zinc/71/88/51/559718851.db2.gz UADOAUFZVOYXOT-FRYIKTPZSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@H]1[C@@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CCN1Cc1ccccc1 ZINC000425771565 559718852 /nfs/dbraw/zinc/71/88/52/559718852.db2.gz UADOAUFZVOYXOT-FRYIKTPZSA-N 1 3 356.514 2.385 20 0 FEADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427305700 559752856 /nfs/dbraw/zinc/75/28/56/559752856.db2.gz WPHHPHWMDQSAOM-WMZOPIPTSA-N 1 3 372.513 2.102 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000428971268 559787089 /nfs/dbraw/zinc/78/70/89/559787089.db2.gz VVOITVYSYYUETK-DYESRHJHSA-N 1 3 361.530 2.249 20 0 FEADHO C[C@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000429012420 559788252 /nfs/dbraw/zinc/78/82/52/559788252.db2.gz UZGFKSKLJQAKTG-OALUTQOASA-N 1 3 358.530 2.093 20 0 FEADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000430556793 559822389 /nfs/dbraw/zinc/82/23/89/559822389.db2.gz VJYUCVMVNBKGMD-HNNXBMFYSA-N 1 3 354.882 2.073 20 0 FEADHO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCC(C[NH3+])CC1 ZINC000430609726 559824655 /nfs/dbraw/zinc/82/46/55/559824655.db2.gz IPJFVNITSSSLIQ-CQSZACIVSA-N 1 3 353.894 2.236 20 0 FEADHO COCC[C@]1(C(=O)NCc2ccccc2CN2CCCCC2)CC[NH2+]C1 ZINC000430847206 559829127 /nfs/dbraw/zinc/82/91/27/559829127.db2.gz KXVXDOLWUXWWLP-OAQYLSRUSA-N 1 3 359.514 2.305 20 0 FEADHO COCC[C@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]C1 ZINC000430910553 559830039 /nfs/dbraw/zinc/83/00/39/559830039.db2.gz VOUXEKJAQRMDFA-YFVAEKQCSA-N 1 3 359.514 2.172 20 0 FEADHO C[NH2+]CC1CCN([C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000430954917 559831448 /nfs/dbraw/zinc/83/14/48/559831448.db2.gz YFCITDRITDOATI-SFHVURJKSA-N 1 3 372.557 2.087 20 0 FEADHO CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCN(C)CC1 ZINC000431859620 559847589 /nfs/dbraw/zinc/84/75/89/559847589.db2.gz NYWSHTQDPUGONF-PMACEKPBSA-N 1 3 364.578 2.172 20 0 FEADHO CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)N1CCN(C)CC1 ZINC000431859620 559847590 /nfs/dbraw/zinc/84/75/90/559847590.db2.gz NYWSHTQDPUGONF-PMACEKPBSA-N 1 3 364.578 2.172 20 0 FEADHO C[C@@H](CNC(=O)NCCCN1CCCO[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000433283468 559875719 /nfs/dbraw/zinc/87/57/19/559875719.db2.gz CEMGTOGXPZGAQF-OKZBNKHCSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H](CNC(=O)NCCCN1CCCO[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000433283468 559875720 /nfs/dbraw/zinc/87/57/20/559875720.db2.gz CEMGTOGXPZGAQF-OKZBNKHCSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433325592 559877008 /nfs/dbraw/zinc/87/70/08/559877008.db2.gz HHZSSEWZPITSIE-RDGPPVDQSA-N 1 3 368.566 2.153 20 0 FEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433325592 559877009 /nfs/dbraw/zinc/87/70/09/559877009.db2.gz HHZSSEWZPITSIE-RDGPPVDQSA-N 1 3 368.566 2.153 20 0 FEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433338894 559877491 /nfs/dbraw/zinc/87/74/91/559877491.db2.gz IVLJSPQJUABHID-MOPGFXCFSA-N 1 3 368.566 2.441 20 0 FEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433338894 559877492 /nfs/dbraw/zinc/87/74/92/559877492.db2.gz IVLJSPQJUABHID-MOPGFXCFSA-N 1 3 368.566 2.441 20 0 FEADHO C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433607649 559885018 /nfs/dbraw/zinc/88/50/18/559885018.db2.gz IHSNLSPDNPPZQW-IBGZPJMESA-N 1 3 374.529 2.443 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000433872089 559889266 /nfs/dbraw/zinc/88/92/66/559889266.db2.gz GNORFYJMBSRQQC-SFHVURJKSA-N 1 3 365.543 2.101 20 0 FEADHO Cc1cc(NC(=O)N(C)CCC[NH+]2CCCC2)n(C2CCN(C)CC2)n1 ZINC000439461931 559994545 /nfs/dbraw/zinc/99/45/45/559994545.db2.gz KIUBWVBNEOKRSE-UHFFFAOYSA-N 1 3 362.522 2.408 20 0 FEADHO C[C@@H](NCCCC[NH+]1CCN(CCO)CC1)c1ncc(-c2ccccc2)o1 ZINC000439588402 559997511 /nfs/dbraw/zinc/99/75/11/559997511.db2.gz NXSYXLYLNSTHMP-GOSISDBHSA-N 1 3 372.513 2.382 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000440181493 560006201 /nfs/dbraw/zinc/00/62/01/560006201.db2.gz VFWLWUBATZCHFK-MOPGFXCFSA-N 1 3 368.566 2.249 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000440181493 560006202 /nfs/dbraw/zinc/00/62/02/560006202.db2.gz VFWLWUBATZCHFK-MOPGFXCFSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@@H](C)O1 ZINC000440959423 560020259 /nfs/dbraw/zinc/02/02/59/560020259.db2.gz LOMMZCMNLOUYRV-LMMKCTJWSA-N 1 3 351.535 2.399 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@@H](C)O1 ZINC000440959423 560020260 /nfs/dbraw/zinc/02/02/60/560020260.db2.gz LOMMZCMNLOUYRV-LMMKCTJWSA-N 1 3 351.535 2.399 20 0 FEADHO COCCC[N@H+](C)CCNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000441024584 560021842 /nfs/dbraw/zinc/02/18/42/560021842.db2.gz QTXPNSDFOOFXRG-UHFFFAOYSA-N 1 3 368.566 2.300 20 0 FEADHO COCCC[N@@H+](C)CCNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000441024584 560021843 /nfs/dbraw/zinc/02/18/43/560021843.db2.gz QTXPNSDFOOFXRG-UHFFFAOYSA-N 1 3 368.566 2.300 20 0 FEADHO CN1CCN(CC[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1(C)C ZINC000441354620 560029190 /nfs/dbraw/zinc/02/91/90/560029190.db2.gz FJZSLLWCIBSWKK-FQEVSTJZSA-N 1 3 361.530 2.360 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000443060687 560068455 /nfs/dbraw/zinc/06/84/55/560068455.db2.gz PPMNNSXHLSLIQH-JKSUJKDBSA-N 1 3 363.502 2.112 20 0 FEADHO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443057641 560068507 /nfs/dbraw/zinc/06/85/07/560068507.db2.gz HMSVCCSSRQGZBD-HZPDHXFCSA-N 1 3 358.486 2.201 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)cc1 ZINC000444189595 560104908 /nfs/dbraw/zinc/10/49/08/560104908.db2.gz VUKMDTLDXGTRBS-CTNGQTDRSA-N 1 3 357.498 2.023 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000446051160 560138782 /nfs/dbraw/zinc/13/87/82/560138782.db2.gz IQYISDSTIPBBMA-UHFFFAOYSA-N 1 3 374.529 2.110 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000446051160 560138783 /nfs/dbraw/zinc/13/87/83/560138783.db2.gz IQYISDSTIPBBMA-UHFFFAOYSA-N 1 3 374.529 2.110 20 0 FEADHO CN(C)CCOc1cccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)c1 ZINC000446228817 560142330 /nfs/dbraw/zinc/14/23/30/560142330.db2.gz UJCUGRSFSQRTTQ-UHFFFAOYSA-N 1 3 358.486 2.495 20 0 FEADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCN2CCN(C)CC2)CC1 ZINC000449219573 560220627 /nfs/dbraw/zinc/22/06/27/560220627.db2.gz NSVPPOGQYPSAJQ-FQEVSTJZSA-N 1 3 358.574 2.309 20 0 FEADHO CN(C)CCOc1cccc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000449320847 560225034 /nfs/dbraw/zinc/22/50/34/560225034.db2.gz KFAGAWJVEYSVCI-OAQYLSRUSA-N 1 3 353.466 2.497 20 0 FEADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000450029960 560248514 /nfs/dbraw/zinc/24/85/14/560248514.db2.gz VDJBNNBZJQCAFG-YLJYHZDGSA-N 1 3 365.562 2.335 20 0 FEADHO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(CN4C[C@@H]5CC[C@H](O)[C@H]5C4)c3)C[C@@H]12 ZINC000450707866 560270900 /nfs/dbraw/zinc/27/09/00/560270900.db2.gz BTQCYMLZSYJUFP-HFBUMDGLSA-N 1 3 374.500 2.231 20 0 FEADHO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(CN4C[C@@H]5CC[C@H](O)[C@H]5C4)c3)C[C@@H]12 ZINC000450707866 560270901 /nfs/dbraw/zinc/27/09/01/560270901.db2.gz BTQCYMLZSYJUFP-HFBUMDGLSA-N 1 3 374.500 2.231 20 0 FEADHO C[C@H]1CN(CCCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCCO1 ZINC000451190689 560292244 /nfs/dbraw/zinc/29/22/44/560292244.db2.gz YHHSHALEBHSXHA-PKOBYXMFSA-N 1 3 351.535 2.401 20 0 FEADHO C[C@H]1CN(CCCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCCO1 ZINC000451190689 560292245 /nfs/dbraw/zinc/29/22/45/560292245.db2.gz YHHSHALEBHSXHA-PKOBYXMFSA-N 1 3 351.535 2.401 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[N@@H+](C4CC4)C[C@H](C)C3)cc2)CC1 ZINC000452176764 560354718 /nfs/dbraw/zinc/35/47/18/560354718.db2.gz VVQFIAJNHYIRIL-SFHVURJKSA-N 1 3 370.541 2.385 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[N@H+](C4CC4)C[C@H](C)C3)cc2)CC1 ZINC000452176764 560354719 /nfs/dbraw/zinc/35/47/19/560354719.db2.gz VVQFIAJNHYIRIL-SFHVURJKSA-N 1 3 370.541 2.385 20 0 FEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000452346999 560359129 /nfs/dbraw/zinc/35/91/29/560359129.db2.gz YIFMOLTXMDKNKZ-HKUYNNGSSA-N 1 3 351.535 2.257 20 0 FEADHO COC1([C@H](C)[NH2+]CCc2ccc(OCCN(C)C)cc2)CCOCC1 ZINC000453088495 560382966 /nfs/dbraw/zinc/38/29/66/560382966.db2.gz APDRZPMJHSNBHX-KRWDZBQOSA-N 1 3 350.503 2.343 20 0 FEADHO COC1([C@@H](C)[NH2+]CC2(N3CCCCC3)CCN(C)CC2)CCOCC1 ZINC000453115290 560383374 /nfs/dbraw/zinc/38/33/74/560383374.db2.gz HMAPEFXTSHIXDJ-GOSISDBHSA-N 1 3 353.551 2.110 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)Cc2cccc(F)c2)[C@@H](C)C1 ZINC000453233225 560384484 /nfs/dbraw/zinc/38/44/84/560384484.db2.gz HMZTZULZKJTCHR-VDGAXYAQSA-N 1 3 352.494 2.456 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)Cc2cccc(F)c2)[C@@H](C)C1 ZINC000453233225 560384485 /nfs/dbraw/zinc/38/44/85/560384485.db2.gz HMZTZULZKJTCHR-VDGAXYAQSA-N 1 3 352.494 2.456 20 0 FEADHO CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453627898 560391923 /nfs/dbraw/zinc/39/19/23/560391923.db2.gz VYZATHLMSXKKRF-HKUYNNGSSA-N 1 3 374.529 2.267 20 0 FEADHO CC[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)N1CCc2ccccc2C1 ZINC000454251413 560436489 /nfs/dbraw/zinc/43/64/89/560436489.db2.gz PZBKDZYDWKKXHK-XUVXKRRUSA-N 1 3 356.514 2.169 20 0 FEADHO CC[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)N1CCc2ccccc2C1 ZINC000454251413 560436490 /nfs/dbraw/zinc/43/64/90/560436490.db2.gz PZBKDZYDWKKXHK-XUVXKRRUSA-N 1 3 356.514 2.169 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N2C[C@H]3CCN(C)[C@H]3C2)CC1 ZINC000454336336 560440614 /nfs/dbraw/zinc/44/06/14/560440614.db2.gz ZTTTZQBTKUHFQN-QUCCMNQESA-N 1 3 356.514 2.305 20 0 FEADHO C[C@@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454770075 560457538 /nfs/dbraw/zinc/45/75/38/560457538.db2.gz NIFNYKFADBJVAM-RSPOEFSDSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454770075 560457539 /nfs/dbraw/zinc/45/75/39/560457539.db2.gz NIFNYKFADBJVAM-RSPOEFSDSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455673571 560491430 /nfs/dbraw/zinc/49/14/30/560491430.db2.gz YCGLVIGCYNNJKY-IYBDPMFKSA-N 1 3 364.538 2.323 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455673571 560491431 /nfs/dbraw/zinc/49/14/31/560491431.db2.gz YCGLVIGCYNNJKY-IYBDPMFKSA-N 1 3 364.538 2.323 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)Cc1ccccc1 ZINC000457469321 560568711 /nfs/dbraw/zinc/56/87/11/560568711.db2.gz CNFCWVDMHIUGLL-PZJWPPBQSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)Cc1ccccc1 ZINC000457469321 560568712 /nfs/dbraw/zinc/56/87/12/560568712.db2.gz CNFCWVDMHIUGLL-PZJWPPBQSA-N 1 3 358.530 2.287 20 0 FEADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+](C2CC2)C1 ZINC000457487792 560570088 /nfs/dbraw/zinc/57/00/88/560570088.db2.gz JEEJHTQKZAXMEH-HKUYNNGSSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+](C2CC2)C1 ZINC000457487792 560570089 /nfs/dbraw/zinc/57/00/89/560570089.db2.gz JEEJHTQKZAXMEH-HKUYNNGSSA-N 1 3 356.514 2.387 20 0 FEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000458386708 560619371 /nfs/dbraw/zinc/61/93/71/560619371.db2.gz WOOMFQMFCVGFTJ-ROUUACIJSA-N 1 3 368.566 2.033 20 0 FEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000458386708 560619372 /nfs/dbraw/zinc/61/93/72/560619372.db2.gz WOOMFQMFCVGFTJ-ROUUACIJSA-N 1 3 368.566 2.033 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C(C)C)C2)[C@H](C)C1 ZINC000458407532 560620658 /nfs/dbraw/zinc/62/06/58/560620658.db2.gz LFXDHDCDRKTPRB-QRVBRYPASA-N 1 3 368.566 2.248 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C(C)C)C2)[C@H](C)C1 ZINC000458407532 560620659 /nfs/dbraw/zinc/62/06/59/560620659.db2.gz LFXDHDCDRKTPRB-QRVBRYPASA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCC1(F)F ZINC000459026806 560662420 /nfs/dbraw/zinc/66/24/20/560662420.db2.gz MLOPJIXWOCIDTN-JKSUJKDBSA-N 1 3 360.493 2.479 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCC1(F)F ZINC000459026806 560662422 /nfs/dbraw/zinc/66/24/22/560662422.db2.gz MLOPJIXWOCIDTN-JKSUJKDBSA-N 1 3 360.493 2.479 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cncc(F)c1 ZINC000459175936 560672492 /nfs/dbraw/zinc/67/24/92/560672492.db2.gz RNMBKSYTWWKCFK-YJBOKZPZSA-N 1 3 365.497 2.339 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cncc(F)c1 ZINC000459175936 560672494 /nfs/dbraw/zinc/67/24/94/560672494.db2.gz RNMBKSYTWWKCFK-YJBOKZPZSA-N 1 3 365.497 2.339 20 0 FEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000461877136 560785943 /nfs/dbraw/zinc/78/59/43/560785943.db2.gz QGHXRTASZZUHTE-HZPDHXFCSA-N 1 3 372.513 2.195 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000461979634 560790579 /nfs/dbraw/zinc/79/05/79/560790579.db2.gz AHIDIZAQCLCZFY-PMACEKPBSA-N 1 3 372.557 2.435 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000461979634 560790581 /nfs/dbraw/zinc/79/05/81/560790581.db2.gz AHIDIZAQCLCZFY-PMACEKPBSA-N 1 3 372.557 2.435 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN(C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000464881948 560854416 /nfs/dbraw/zinc/85/44/16/560854416.db2.gz WSHFYMQBLBQKKI-NRFANRHFSA-N 1 3 372.557 2.183 20 0 FEADHO CN(C)C1(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)Cc2ccccc2C1 ZINC000466013025 560877983 /nfs/dbraw/zinc/87/79/83/560877983.db2.gz UXZHKGGDCQCTEM-QGZVFWFLSA-N 1 3 358.530 2.069 20 0 FEADHO CN(C)C1(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)Cc2ccccc2C1 ZINC000466013025 560877984 /nfs/dbraw/zinc/87/79/84/560877984.db2.gz UXZHKGGDCQCTEM-QGZVFWFLSA-N 1 3 358.530 2.069 20 0 FEADHO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000467387652 560909268 /nfs/dbraw/zinc/90/92/68/560909268.db2.gz HMAJILWGEAFYNH-SFTDATJTSA-N 1 3 374.573 2.396 20 0 FEADHO CC[C@H](C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)N(CC)CC ZINC000468814463 560939587 /nfs/dbraw/zinc/93/95/87/560939587.db2.gz DAEDKZVQIMGWTA-GUDVDZBRSA-N 1 3 352.567 2.124 20 0 FEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000469326262 560952537 /nfs/dbraw/zinc/95/25/37/560952537.db2.gz GSKOBENZKAHOOF-HDICACEKSA-N 1 3 351.535 2.401 20 0 FEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000469326262 560952538 /nfs/dbraw/zinc/95/25/38/560952538.db2.gz GSKOBENZKAHOOF-HDICACEKSA-N 1 3 351.535 2.401 20 0 FEADHO C[C@@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)N1CCCCCC1 ZINC000469923900 560969052 /nfs/dbraw/zinc/96/90/52/560969052.db2.gz NZYOSTFZGCFTQQ-RBUKOAKNSA-N 1 3 351.535 2.354 20 0 FEADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000471903828 561014165 /nfs/dbraw/zinc/01/41/65/561014165.db2.gz XLHGZCWHYHDBRA-VQCLRJIVSA-N 1 3 374.451 2.328 20 0 FEADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000471903828 561014166 /nfs/dbraw/zinc/01/41/66/561014166.db2.gz XLHGZCWHYHDBRA-VQCLRJIVSA-N 1 3 374.451 2.328 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000472910636 561037613 /nfs/dbraw/zinc/03/76/13/561037613.db2.gz VJZBVQWIVSCSBG-GOSISDBHSA-N 1 3 368.566 2.393 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000472910637 561037651 /nfs/dbraw/zinc/03/76/51/561037651.db2.gz VJZBVQWIVSCSBG-SFHVURJKSA-N 1 3 368.566 2.393 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@H]1C ZINC000475040637 561088629 /nfs/dbraw/zinc/08/86/29/561088629.db2.gz ULOVYXDZWQXPLN-YZGWKJHDSA-N 1 3 360.546 2.210 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@H]1C ZINC000475040637 561088630 /nfs/dbraw/zinc/08/86/30/561088630.db2.gz ULOVYXDZWQXPLN-YZGWKJHDSA-N 1 3 360.546 2.210 20 0 FEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2CCOC)C1 ZINC000477159092 561138076 /nfs/dbraw/zinc/13/80/76/561138076.db2.gz IZROXCJFFHUIBY-MSOLQXFVSA-N 1 3 368.566 2.297 20 0 FEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2CCOC)C1 ZINC000477159092 561138077 /nfs/dbraw/zinc/13/80/77/561138077.db2.gz IZROXCJFFHUIBY-MSOLQXFVSA-N 1 3 368.566 2.297 20 0 FEADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)N2CCCC2)c1 ZINC000529286138 562367425 /nfs/dbraw/zinc/36/74/25/562367425.db2.gz XVNBRKABTMGULO-RBUKOAKNSA-N 1 3 372.513 2.416 20 0 FEADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247697 562404082 /nfs/dbraw/zinc/40/40/82/562404082.db2.gz CEWLOKORYKAYSX-IBGZPJMESA-N 1 3 369.513 2.475 20 0 FEADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000530827251 562425407 /nfs/dbraw/zinc/42/54/07/562425407.db2.gz HNLVQLIXAOWAKW-NHCUHLMSSA-N 1 3 370.541 2.484 20 0 FEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000530827251 562425408 /nfs/dbraw/zinc/42/54/08/562425408.db2.gz HNLVQLIXAOWAKW-NHCUHLMSSA-N 1 3 370.541 2.484 20 0 FEADHO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530880550 562427166 /nfs/dbraw/zinc/42/71/66/562427166.db2.gz YFZWEMHXJJKEGE-OAHLLOKOSA-N 1 3 355.910 2.368 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000531119125 562435228 /nfs/dbraw/zinc/43/52/28/562435228.db2.gz HYJHVSFCUVAGCL-UHFFFAOYSA-N 1 3 362.301 2.324 20 0 FEADHO C[N@H+](CCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000531287503 562440844 /nfs/dbraw/zinc/44/08/44/562440844.db2.gz CHIQDMFRNZJXFW-OAQYLSRUSA-N 1 3 359.514 2.004 20 0 FEADHO C[N@@H+](CCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000531287503 562440845 /nfs/dbraw/zinc/44/08/45/562440845.db2.gz CHIQDMFRNZJXFW-OAQYLSRUSA-N 1 3 359.514 2.004 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(C)nn2C2CCN(C)CC2)C1 ZINC000531427871 562445602 /nfs/dbraw/zinc/44/56/02/562445602.db2.gz JZBSWFPGHZELRF-QGZVFWFLSA-N 1 3 362.522 2.406 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCN2CCOCC2(C)C)CC1 ZINC000532042191 562464949 /nfs/dbraw/zinc/46/49/49/562464949.db2.gz BNKICJIMUXMCRH-UHFFFAOYSA-N 1 3 374.573 2.419 20 0 FEADHO O=C(NCCNc1cc[nH+]cc1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000533813570 562518818 /nfs/dbraw/zinc/51/88/18/562518818.db2.gz QYAQBYDHNVXMGM-KRWDZBQOSA-N 1 3 356.445 2.083 20 0 FEADHO O=C(NCCNc1cc[nH+]cc1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000534523949 562535911 /nfs/dbraw/zinc/53/59/11/562535911.db2.gz AZDKNRKVKBZXKV-LJQANCHMSA-N 1 3 353.470 2.052 20 0 FEADHO CC[NH+](CC)Cc1cccc(CNC(=O)NCCNc2ccncc2)c1 ZINC000535260528 562554298 /nfs/dbraw/zinc/55/42/98/562554298.db2.gz GKZIUPOZLUFFKV-UHFFFAOYSA-N 1 3 355.486 2.257 20 0 FEADHO CCN(CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)C1CC1 ZINC000535849122 562569734 /nfs/dbraw/zinc/56/97/34/562569734.db2.gz OGHYCOUJKOXPKV-WOJBJXKFSA-N 1 3 364.578 2.266 20 0 FEADHO CCN(CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)C1CC1 ZINC000535849122 562569735 /nfs/dbraw/zinc/56/97/35/562569735.db2.gz OGHYCOUJKOXPKV-WOJBJXKFSA-N 1 3 364.578 2.266 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)CCN(C)c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000540926401 562597167 /nfs/dbraw/zinc/59/71/67/562597167.db2.gz QXWUERAMCPYRRX-HDICACEKSA-N 1 3 374.529 2.256 20 0 FEADHO C(N1CCC[C@H]2COCC[C@H]21)C1(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)COC1 ZINC000541070482 562602002 /nfs/dbraw/zinc/60/20/02/562602002.db2.gz IVOJUPXTTREOJF-JVSBHGNQSA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CCC[C@H]2COCC[C@H]21)C1(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)COC1 ZINC000541070482 562602003 /nfs/dbraw/zinc/60/20/03/562602003.db2.gz IVOJUPXTTREOJF-JVSBHGNQSA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CCC[C@@H]2COCC[C@@H]21)C1(C[N@@H+]2CCC[C@H]3COCC[C@H]32)COC1 ZINC000541070482 562602004 /nfs/dbraw/zinc/60/20/04/562602004.db2.gz IVOJUPXTTREOJF-JVSBHGNQSA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CCC[C@@H]2COCC[C@@H]21)C1(C[N@H+]2CCC[C@H]3COCC[C@H]32)COC1 ZINC000541070482 562602005 /nfs/dbraw/zinc/60/20/05/562602005.db2.gz IVOJUPXTTREOJF-JVSBHGNQSA-N 1 3 364.530 2.005 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](OCC)[C@@]23CCCO3)[C@H](C)C1 ZINC000546163062 562634503 /nfs/dbraw/zinc/63/45/03/562634503.db2.gz DEHXBOYTDFTQEU-UJMXGEILSA-N 1 3 354.535 2.440 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@H](OCC)[C@@]23CCCO3)[C@H](C)C1 ZINC000546163062 562634504 /nfs/dbraw/zinc/63/45/04/562634504.db2.gz DEHXBOYTDFTQEU-UJMXGEILSA-N 1 3 354.535 2.440 20 0 FEADHO C[C@@H](C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)CN1CCCCC1 ZINC000556058785 674386535 /nfs/dbraw/zinc/38/65/35/674386535.db2.gz DBZFBQDEDUMCLL-KXBFYZLASA-N 1 3 365.543 2.423 20 0 FEADHO C[C@H]1CN(CCCC[NH2+]C2CCC(CS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000556064384 674386746 /nfs/dbraw/zinc/38/67/46/674386746.db2.gz YOJMIDXHYRNMSE-VYMRPNJYSA-N 1 3 360.564 2.069 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(=O)OC)n2C)[C@H](C)C1 ZINC000602007420 567906549 /nfs/dbraw/zinc/90/65/49/567906549.db2.gz PCEINMFJDAHANK-WBVHZDCISA-N 1 3 351.491 2.038 20 0 FEADHO O=C(NC[C@H]1CCCN(CCSc2ccc(F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000327117276 568099872 /nfs/dbraw/zinc/09/98/72/568099872.db2.gz IAJJRJPSRYCVJT-CRAIPNDOSA-N 1 3 365.518 2.498 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000636874365 568142012 /nfs/dbraw/zinc/14/20/12/568142012.db2.gz SDPLVAJWBMLJFT-INIZCTEOSA-N 1 3 354.445 2.180 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000636875253 568146604 /nfs/dbraw/zinc/14/66/04/568146604.db2.gz YBPBMQNAKYJRCQ-OAHLLOKOSA-N 1 3 354.445 2.180 20 0 FEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000604172913 568221393 /nfs/dbraw/zinc/22/13/93/568221393.db2.gz ZAGDQSJDIMJAPJ-SFHVURJKSA-N 1 3 368.566 2.251 20 0 FEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000604172913 568221394 /nfs/dbraw/zinc/22/13/94/568221394.db2.gz ZAGDQSJDIMJAPJ-SFHVURJKSA-N 1 3 368.566 2.251 20 0 FEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000604195333 568224431 /nfs/dbraw/zinc/22/44/31/568224431.db2.gz YSHIHRMMXFGACD-GOSISDBHSA-N 1 3 368.566 2.393 20 0 FEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000604195333 568224432 /nfs/dbraw/zinc/22/44/32/568224432.db2.gz YSHIHRMMXFGACD-GOSISDBHSA-N 1 3 368.566 2.393 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000623071854 568241546 /nfs/dbraw/zinc/24/15/46/568241546.db2.gz ORSLLCUSVBEIHX-HKUYNNGSSA-N 1 3 360.502 2.498 20 0 FEADHO CSC1(CNC(=O)NC[C@@H]2NCCc3ccccc32)CC[NH+](C)CC1 ZINC000557200072 568445189 /nfs/dbraw/zinc/44/51/89/568445189.db2.gz SKQULPJUJQQJPP-KRWDZBQOSA-N 1 3 362.543 2.000 20 0 FEADHO CCN1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000556925653 674428225 /nfs/dbraw/zinc/42/82/25/674428225.db2.gz XYMIMEIIZABIIG-HOCLYGCPSA-N 1 3 373.950 2.247 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CO)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000557276730 674443908 /nfs/dbraw/zinc/44/39/08/674443908.db2.gz MQYUXPVGXAAVCP-UXPWSPDFSA-N 1 3 352.494 2.456 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CO)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000557276730 674443909 /nfs/dbraw/zinc/44/39/09/674443909.db2.gz MQYUXPVGXAAVCP-UXPWSPDFSA-N 1 3 352.494 2.456 20 0 FEADHO CN(CC[N@H+](C)C1CCN(C)CC1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000809735135 674507862 /nfs/dbraw/zinc/50/78/62/674507862.db2.gz YELVJEHJJCFJTH-UHFFFAOYSA-N 1 3 356.555 2.248 20 0 FEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000809735135 674507865 /nfs/dbraw/zinc/50/78/65/674507865.db2.gz YELVJEHJJCFJTH-UHFFFAOYSA-N 1 3 356.555 2.248 20 0 FEADHO C[NH+](C)CCCC1CC[NH+](CCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825860288 608378068 /nfs/dbraw/zinc/37/80/68/608378068.db2.gz OPSVSPDLOOIPPD-UHFFFAOYSA-N 1 3 358.490 2.299 20 0 FEADHO C[NH+](C)CCCC1CC[NH+](CCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825860288 608378070 /nfs/dbraw/zinc/37/80/70/608378070.db2.gz OPSVSPDLOOIPPD-UHFFFAOYSA-N 1 3 358.490 2.299 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000561281095 674653468 /nfs/dbraw/zinc/65/34/68/674653468.db2.gz WYBKODYREFGVHO-WZGPROSRSA-N 1 3 351.535 2.384 20 0 FEADHO C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)CN(C)C ZINC000813878196 674787264 /nfs/dbraw/zinc/78/72/64/674787264.db2.gz LFLQZABACNLSEG-PVAVHDDUSA-N 1 3 355.523 2.188 20 0 FEADHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)CC1 ZINC000104174721 670790514 /nfs/dbraw/zinc/79/05/14/670790514.db2.gz MWIZGUBMJFPKKA-AWEZNQCLSA-N 1 3 367.925 2.349 20 0 FEADHO C[C@H]([NH3+])C[C@H](C)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817916940 675186288 /nfs/dbraw/zinc/18/62/88/675186288.db2.gz MOAGTJJFVDZYGI-QWRGUYRKSA-N 1 3 354.394 2.074 20 0 FEADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000817947119 675187738 /nfs/dbraw/zinc/18/77/38/675187738.db2.gz KSWKOSQOVOXQLQ-HNNXBMFYSA-N 1 3 361.511 2.289 20 0 FEADHO [NH3+][C@H]1CCC[C@H](NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000575430194 671313083 /nfs/dbraw/zinc/31/30/83/671313083.db2.gz SNBBQELAKVDXOV-QWRGUYRKSA-N 1 3 366.314 2.131 20 0 FEADHO Cn1c2ccc(CN3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)cc2sc1=O ZINC000578119964 671641833 /nfs/dbraw/zinc/64/18/33/671641833.db2.gz CHNMZBRCVPQWEE-YJBOKZPZSA-N 1 3 361.511 2.318 20 0 FEADHO COCCC[NH+]1CCC(NCCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000582900206 672044841 /nfs/dbraw/zinc/04/48/41/672044841.db2.gz HHXALJSQGVHZRE-UHFFFAOYSA-N 1 3 355.429 2.384 20 0 FEADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000583921351 672139338 /nfs/dbraw/zinc/13/93/38/672139338.db2.gz QYVSZBWGUZQXJW-UJHNXHIOSA-N 1 3 362.440 2.218 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)N(C)C)cc1 ZINC000612982160 676105091 /nfs/dbraw/zinc/10/50/91/676105091.db2.gz IDIYDZSKWKEFSH-IRXDYDNUSA-N 1 3 362.543 2.453 20 0 FEADHO C[NH2+]CCN(C)C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000415811341 673186150 /nfs/dbraw/zinc/18/61/50/673186150.db2.gz XFKRQRUTAIJKGO-UHFFFAOYSA-N 1 3 354.882 2.496 20 0 FEADHO C[C@@H](NC[C@@H]1CCCCS1(=O)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000543430271 673646724 /nfs/dbraw/zinc/64/67/24/673646724.db2.gz XKMJZGFTRMHRPX-QAPCUYQASA-N 1 3 354.516 2.245 20 0 FEADHO CCCCN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1CCCCC1 ZINC000746044635 673861944 /nfs/dbraw/zinc/86/19/44/673861944.db2.gz PZLWHIARQGBGMM-UHFFFAOYSA-N 1 3 350.507 2.395 20 0 FEADHO CC(C)[NH+]1CCN(CCCN2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000548844555 674000607 /nfs/dbraw/zinc/00/06/07/674000607.db2.gz FCWBLXNASHWLNE-MRXNPFEDSA-N 1 3 351.457 2.446 20 0 FEADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1F ZINC000819175088 675266344 /nfs/dbraw/zinc/26/63/44/675266344.db2.gz UDAYEUNMJAOFHI-GUDVDZBRSA-N 1 3 354.441 2.356 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000617504232 676288658 /nfs/dbraw/zinc/28/86/58/676288658.db2.gz LSPKQTLZBOIISX-HOCLYGCPSA-N 1 3 367.921 2.279 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000617504232 676288659 /nfs/dbraw/zinc/28/86/59/676288659.db2.gz LSPKQTLZBOIISX-HOCLYGCPSA-N 1 3 367.921 2.279 20 0 FEADHO COCC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000621805120 676475104 /nfs/dbraw/zinc/47/51/04/676475104.db2.gz SGRFNQIKTCJQRR-UHFFFAOYSA-N 1 3 351.535 2.258 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623376202 676531739 /nfs/dbraw/zinc/53/17/39/676531739.db2.gz KNQOVPNNOLGABM-GOSISDBHSA-N 1 3 367.559 2.477 20 0 FEADHO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCN(C)C(C)(C)C2)c(C)s1 ZINC000623467707 676536737 /nfs/dbraw/zinc/53/67/37/676536737.db2.gz UNLFGJTUYUEKQI-CQSZACIVSA-N 1 3 359.561 2.106 20 0 FEADHO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623524291 676539124 /nfs/dbraw/zinc/53/91/24/676539124.db2.gz MYWYPMZMWFDDNY-HNNXBMFYSA-N 1 3 373.950 2.389 20 0 FEADHO C[NH2+]CCOCCN[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000629528788 676858305 /nfs/dbraw/zinc/85/83/05/676858305.db2.gz JEGGHIJZXVODAS-HNNXBMFYSA-N 1 3 354.516 2.290 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000630027096 676880027 /nfs/dbraw/zinc/88/00/27/676880027.db2.gz LUVNEFSCOWIAIZ-GOSISDBHSA-N 1 3 351.535 2.354 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000630027096 676880028 /nfs/dbraw/zinc/88/00/28/676880028.db2.gz LUVNEFSCOWIAIZ-GOSISDBHSA-N 1 3 351.535 2.354 20 0 FEADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H](N)CC(F)F)cc2)CC1 ZINC000830126056 677026751 /nfs/dbraw/zinc/02/67/51/677026751.db2.gz WKRAGDVTNQLYKM-MRXNPFEDSA-N 1 3 354.445 2.386 20 0 FEADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNC[C@@H](CO)c1ccc(Cl)cc1 ZINC000634731013 677080911 /nfs/dbraw/zinc/08/09/11/677080911.db2.gz BNRNZVVBWFQBLY-AZUAARDMSA-N 1 3 362.901 2.498 20 0 FEADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNC[C@@H](CO)c1ccc(Cl)cc1 ZINC000634731013 677080912 /nfs/dbraw/zinc/08/09/12/677080912.db2.gz BNRNZVVBWFQBLY-AZUAARDMSA-N 1 3 362.901 2.498 20 0 FEADHO COC[C@@]1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCCN1 ZINC000638102916 677139866 /nfs/dbraw/zinc/13/98/66/677139866.db2.gz XPKVGGOENDAFIE-AZUAARDMSA-N 1 3 351.535 2.260 20 0 FEADHO CC[NH+](CC)Cc1ccc(CNCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000638309969 677143297 /nfs/dbraw/zinc/14/32/97/677143297.db2.gz UDAGZDVDKOOVTG-UHFFFAOYSA-N 1 3 361.511 2.466 20 0 FEADHO CN(C)C[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1cccc(C(F)(F)F)c1 ZINC000638828304 677150684 /nfs/dbraw/zinc/15/06/84/677150684.db2.gz BPVMROVHOYAOJY-NWDGAFQWSA-N 1 3 353.335 2.407 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=S)NCC1CC[NH+](C)CC1 ZINC000760467808 680688685 /nfs/dbraw/zinc/68/86/85/680688685.db2.gz JKHFCYQFUBCCMK-UHFFFAOYSA-N 1 3 366.550 2.406 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)N2CCCC2)cc1 ZINC000649309972 677329225 /nfs/dbraw/zinc/32/92/25/677329225.db2.gz MFTSEXYBBJINOQ-DLBZAZTESA-N 1 3 351.441 2.493 20 0 FEADHO C[C@@H](NCCC1(C[NH3+])CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000650747076 677388317 /nfs/dbraw/zinc/38/83/17/677388317.db2.gz RBKQSNYJAHBJPB-SECBINFHSA-N 1 3 366.314 2.420 20 0 FEADHO FC1(F)Oc2ccc(CCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2O1 ZINC000650760405 677388440 /nfs/dbraw/zinc/38/84/40/677388440.db2.gz CIZKISHCAHWMPD-SOUVJXGZSA-N 1 3 354.397 2.297 20 0 FEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349280 677481109 /nfs/dbraw/zinc/48/11/09/677481109.db2.gz JBMNSBBCUNQAFX-VUHPKUFZSA-N 1 3 351.535 2.384 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C[C@H]3CCOC3)CC2)CC1 ZINC000654894653 677611038 /nfs/dbraw/zinc/61/10/38/677611038.db2.gz UBRGJSBSZOUOKB-DLBZAZTESA-N 1 3 351.535 2.114 20 0 FEADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCOC1 ZINC000655164758 677626702 /nfs/dbraw/zinc/62/67/02/677626702.db2.gz FUUBQBMUEMYFEI-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO CN(C)S(=O)(=O)c1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662292475 678601213 /nfs/dbraw/zinc/60/12/13/678601213.db2.gz NDHXDYSELFGIMS-SFHVURJKSA-N 1 3 365.543 2.149 20 0 FEADHO CC[C@@H]([NH2+]C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000662467396 678625718 /nfs/dbraw/zinc/62/57/18/678625718.db2.gz VENHSUYXUQSEKA-QGZVFWFLSA-N 1 3 353.894 2.297 20 0 FEADHO [NH3+][C@H](CCC(=O)NC1CCN([C@@H]2CCOC2)CC1)CC1CCCCC1 ZINC000662707434 678653196 /nfs/dbraw/zinc/65/31/96/678653196.db2.gz DYWQBUTXTIPHLS-IEBWSBKVSA-N 1 3 351.535 2.434 20 0 FEADHO CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664330125 678864168 /nfs/dbraw/zinc/86/41/68/678864168.db2.gz ZGRDRTLAENLFAT-RCCFBDPRSA-N 1 3 356.555 2.009 20 0 FEADHO CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664330125 678864171 /nfs/dbraw/zinc/86/41/71/678864171.db2.gz ZGRDRTLAENLFAT-RCCFBDPRSA-N 1 3 356.555 2.009 20 0 FEADHO CC(C)C[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000664593870 678901780 /nfs/dbraw/zinc/90/17/80/678901780.db2.gz BUBJUIXURUDVCO-BZSNNMDCSA-N 1 3 356.555 2.151 20 0 FEADHO CC(C)C[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000664593870 678901782 /nfs/dbraw/zinc/90/17/82/678901782.db2.gz BUBJUIXURUDVCO-BZSNNMDCSA-N 1 3 356.555 2.151 20 0 FEADHO COc1c(C)cccc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665256989 678948793 /nfs/dbraw/zinc/94/87/93/678948793.db2.gz VARNACSTXTWKBO-INIZCTEOSA-N 1 3 350.507 2.075 20 0 FEADHO COc1c(C)cccc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665256989 678948794 /nfs/dbraw/zinc/94/87/94/678948794.db2.gz VARNACSTXTWKBO-INIZCTEOSA-N 1 3 350.507 2.075 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC000665272256 678949459 /nfs/dbraw/zinc/94/94/59/678949459.db2.gz ATDNYSZWMWWQMP-DLBZAZTESA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC000665272256 678949461 /nfs/dbraw/zinc/94/94/61/678949461.db2.gz ATDNYSZWMWWQMP-DLBZAZTESA-N 1 3 354.539 2.049 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)C1 ZINC000666638346 679035277 /nfs/dbraw/zinc/03/52/77/679035277.db2.gz BDKMZZWVUWDKCW-AWEZNQCLSA-N 1 3 351.441 2.342 20 0 FEADHO COc1cc(F)c(F)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000667115482 679068382 /nfs/dbraw/zinc/06/83/82/679068382.db2.gz FESOWHQAYWOVJM-LBPRGKRZSA-N 1 3 358.433 2.367 20 0 FEADHO COc1cc(F)c(F)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000667115482 679068384 /nfs/dbraw/zinc/06/83/84/679068384.db2.gz FESOWHQAYWOVJM-LBPRGKRZSA-N 1 3 358.433 2.367 20 0 FEADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000669573948 679243524 /nfs/dbraw/zinc/24/35/24/679243524.db2.gz RTNIUMGJYMUNOY-VYESFELBSA-N 1 3 362.440 2.089 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cccc(Cl)n3)C2)CC[N@@H+]1C ZINC001020174125 680102655 /nfs/dbraw/zinc/10/26/55/680102655.db2.gz WTVIBCVOBMDBGG-YHUYYLMFSA-N 1 3 350.894 2.202 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cccc(Cl)n3)C2)CC[N@H+]1C ZINC001020174125 680102658 /nfs/dbraw/zinc/10/26/58/680102658.db2.gz WTVIBCVOBMDBGG-YHUYYLMFSA-N 1 3 350.894 2.202 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNCc3nccs3)C2)CC[N@@H+]1C ZINC001023993716 680277523 /nfs/dbraw/zinc/27/75/23/680277523.db2.gz NAQHOUXUIVTVEW-HRCADAONSA-N 1 3 350.532 2.202 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CNCc3nccs3)C2)CC[N@H+]1C ZINC001023993716 680277526 /nfs/dbraw/zinc/27/75/26/680277526.db2.gz NAQHOUXUIVTVEW-HRCADAONSA-N 1 3 350.532 2.202 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cc(C)ns2)CC[N@@H+]1C ZINC001034941299 680441000 /nfs/dbraw/zinc/44/10/00/680441000.db2.gz PUVDCWKTIQITBI-HYVNUMGLSA-N 1 3 350.532 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cc(C)ns2)CC[N@H+]1C ZINC001034941299 680441001 /nfs/dbraw/zinc/44/10/01/680441001.db2.gz PUVDCWKTIQITBI-HYVNUMGLSA-N 1 3 350.532 2.262 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)NCCC[NH2+]Cc2cccnc2)cc(Cl)n1 ZINC000841845918 680914530 /nfs/dbraw/zinc/91/45/30/680914530.db2.gz HWYIELWFGMNHFU-INIZCTEOSA-N 1 3 361.877 2.124 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc(Cl)n1 ZINC000841849346 680914682 /nfs/dbraw/zinc/91/46/82/680914682.db2.gz MWMVCKVKJCMNDJ-ZFWWWQNUSA-N 1 3 359.861 2.283 20 0 FEADHO CC(C)(C)OC(=O)NC[C@H](NC[C@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000769919935 681000474 /nfs/dbraw/zinc/00/04/74/681000474.db2.gz FALZZYKVVSKSTP-IRXDYDNUSA-N 1 3 355.523 2.116 20 0 FEADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000847007006 681319415 /nfs/dbraw/zinc/31/94/15/681319415.db2.gz ALSBBNKUOAKITD-IKGGRYGDSA-N 1 3 357.539 2.314 20 0 FEADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000847007006 681319420 /nfs/dbraw/zinc/31/94/20/681319420.db2.gz ALSBBNKUOAKITD-IKGGRYGDSA-N 1 3 357.539 2.314 20 0 FEADHO CN1C[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3C(F)(F)F)C[C@]2(C)C1 ZINC000933737937 681460147 /nfs/dbraw/zinc/46/01/47/681460147.db2.gz VXJNVOXSKRIZJR-KEYYUXOJSA-N 1 3 358.404 2.329 20 0 FEADHO CN1C[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3C(F)(F)F)C[C@]2(C)C1 ZINC000933737937 681460149 /nfs/dbraw/zinc/46/01/49/681460149.db2.gz VXJNVOXSKRIZJR-KEYYUXOJSA-N 1 3 358.404 2.329 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000849067649 681649189 /nfs/dbraw/zinc/64/91/89/681649189.db2.gz SNXFTMDVQZZHLX-SWLSCSKDSA-N 1 3 358.408 2.337 20 0 FEADHO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000849091305 681651802 /nfs/dbraw/zinc/65/18/02/681651802.db2.gz UERPDYOECGIBOP-GJZGRUSLSA-N 1 3 356.392 2.183 20 0 FEADHO COC(CCN1CCCC2(CCC[N@H+](CCC(OC)OC)C2)C1)OC ZINC000852058472 682211701 /nfs/dbraw/zinc/21/17/01/682211701.db2.gz YALOCOKKFHNQBS-UHFFFAOYSA-N 1 3 358.523 2.182 20 0 FEADHO COC(CCN1CCCC2(CCC[N@@H+](CCC(OC)OC)C2)C1)OC ZINC000852058472 682211710 /nfs/dbraw/zinc/21/17/10/682211710.db2.gz YALOCOKKFHNQBS-UHFFFAOYSA-N 1 3 358.523 2.182 20 0 FEADHO Cc1noc(C(F)(F)F)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855345463 682659616 /nfs/dbraw/zinc/65/96/16/682659616.db2.gz AWFFOMBBGKTYLM-JTQLQIEISA-N 1 3 350.385 2.004 20 0 FEADHO Cc1noc(C(F)(F)F)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855345463 682659614 /nfs/dbraw/zinc/65/96/14/682659614.db2.gz AWFFOMBBGKTYLM-JTQLQIEISA-N 1 3 350.385 2.004 20 0 FEADHO COC(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000855347065 682660179 /nfs/dbraw/zinc/66/01/79/682660179.db2.gz RUXLVQJDOJEKHY-ZDUSSCGKSA-N 1 3 369.893 2.128 20 0 FEADHO COC(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000855347065 682660182 /nfs/dbraw/zinc/66/01/82/682660182.db2.gz RUXLVQJDOJEKHY-ZDUSSCGKSA-N 1 3 369.893 2.128 20 0 FEADHO CCO[C@@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C[NH+](C)C ZINC000926841895 683179411 /nfs/dbraw/zinc/17/94/11/683179411.db2.gz AIECMHDYSUXOJW-IRXDYDNUSA-N 1 3 370.925 2.209 20 0 FEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnn(CC(F)F)c3)C2)[C@@H]1C(C)C ZINC000922395367 683714454 /nfs/dbraw/zinc/71/44/54/683714454.db2.gz WNKKVZXOCINNLG-LMSBXDPUSA-N 1 3 356.461 2.108 20 0 FEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnn(CC(F)F)c3)C2)[C@@H]1C(C)C ZINC000922395367 683714456 /nfs/dbraw/zinc/71/44/56/683714456.db2.gz WNKKVZXOCINNLG-LMSBXDPUSA-N 1 3 356.461 2.108 20 0 FEADHO CCO[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000865064553 683930419 /nfs/dbraw/zinc/93/04/19/683930419.db2.gz WEJBCOCJIAIJEA-LJQANCHMSA-N 1 3 351.535 2.257 20 0 FEADHO CN(C)C[C@H](NC(=S)NCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000865242947 683955337 /nfs/dbraw/zinc/95/53/37/683955337.db2.gz IOZNOPGYWKFUQE-AWEZNQCLSA-N 1 3 362.465 2.334 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cnn(C2CCCC2)c1 ZINC000923199549 684239554 /nfs/dbraw/zinc/23/95/54/684239554.db2.gz SOZASUZJVGSOCN-HNNXBMFYSA-N 1 3 350.511 2.392 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cnn(C2CCCC2)c1 ZINC000923199549 684239558 /nfs/dbraw/zinc/23/95/58/684239558.db2.gz SOZASUZJVGSOCN-HNNXBMFYSA-N 1 3 350.511 2.392 20 0 FEADHO CC(C)[C@@H]1C[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000931217103 684242612 /nfs/dbraw/zinc/24/26/12/684242612.db2.gz LYDJSDZAIUDLSH-LPHOPBHVSA-N 1 3 351.535 2.112 20 0 FEADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)COc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC000931434190 684282248 /nfs/dbraw/zinc/28/22/48/684282248.db2.gz OWJLFQJPNPNNCJ-IJEWVQPXSA-N 1 3 358.404 2.329 20 0 FEADHO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)COc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC000931434190 684282252 /nfs/dbraw/zinc/28/22/52/684282252.db2.gz OWJLFQJPNPNNCJ-IJEWVQPXSA-N 1 3 358.404 2.329 20 0 FEADHO C[NH+](C)CC1(O)CCN(CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000931485432 684290807 /nfs/dbraw/zinc/29/08/07/684290807.db2.gz IBROKAHTGTXLJP-UHFFFAOYSA-N 1 3 364.877 2.321 20 0 FEADHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1ccc(Br)cc1F ZINC000923520296 684296789 /nfs/dbraw/zinc/29/67/89/684296789.db2.gz REIGJTBDAWXNTA-NWDGAFQWSA-N 1 3 370.266 2.458 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCN1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924476006 684453900 /nfs/dbraw/zinc/45/39/00/684453900.db2.gz AGIMFTGJEXJQFB-SJORKVTESA-N 1 3 350.507 2.047 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCN1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924476006 684453903 /nfs/dbraw/zinc/45/39/03/684453903.db2.gz AGIMFTGJEXJQFB-SJORKVTESA-N 1 3 350.507 2.047 20 0 FEADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925332794 684550390 /nfs/dbraw/zinc/55/03/90/684550390.db2.gz XMNSZMRSHOGVRW-UONOGXRCSA-N 1 3 352.445 2.385 20 0 FEADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000925639895 684575909 /nfs/dbraw/zinc/57/59/09/684575909.db2.gz OEDKPRSLBBAXNY-JKSUJKDBSA-N 1 3 351.516 2.222 20 0 FEADHO C[C@H](NC[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000925787233 684585388 /nfs/dbraw/zinc/58/53/88/684585388.db2.gz ZHPYDVPRDPRTGF-JQHSSLGASA-N 1 3 353.457 2.110 20 0 FEADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000925787233 684585391 /nfs/dbraw/zinc/58/53/91/684585391.db2.gz ZHPYDVPRDPRTGF-JQHSSLGASA-N 1 3 353.457 2.110 20 0 FEADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)[C@H](c1ccccc1)N1CCOCC1 ZINC000925785554 684585477 /nfs/dbraw/zinc/58/54/77/684585477.db2.gz UZLPGDCTORQTGJ-RYQLBKOJSA-N 1 3 353.457 2.283 20 0 FEADHO COc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1OC ZINC000889480948 688779616 /nfs/dbraw/zinc/77/96/16/688779616.db2.gz BSWJMZFAXCETOB-AWEZNQCLSA-N 1 3 352.479 2.097 20 0 FEADHO COc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1OC ZINC000889480948 688779620 /nfs/dbraw/zinc/77/96/20/688779620.db2.gz BSWJMZFAXCETOB-AWEZNQCLSA-N 1 3 352.479 2.097 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N(CC[NH3+])Cc2cccc(Cl)c2)CN1C1CC1 ZINC000891660067 689088936 /nfs/dbraw/zinc/08/89/36/689088936.db2.gz IKOYETJCSZUSHC-CZUORRHYSA-N 1 3 350.894 2.436 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC000891674160 689090888 /nfs/dbraw/zinc/09/08/88/689090888.db2.gz WDZGCCWCIQYRFZ-DYVFJYSZSA-N 1 3 350.894 2.293 20 0 FEADHO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCC1(F)F)[C@@H](c1ccccc1)N(C)C ZINC000891894174 689123714 /nfs/dbraw/zinc/12/37/14/689123714.db2.gz DJBYSXZALRQEAH-IMJJTQAJSA-N 1 3 354.445 2.222 20 0 FEADHO CCN(C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000891922121 689126968 /nfs/dbraw/zinc/12/69/68/689126968.db2.gz FVZLCOCQHVIDMZ-WBVHZDCISA-N 1 3 350.532 2.405 20 0 FEADHO CC[NH+]1CCC(CNCc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894241635 689492464 /nfs/dbraw/zinc/49/24/64/689492464.db2.gz KVINDHGAVRKQAM-UHFFFAOYSA-N 1 3 358.939 2.455 20 0 FEADHO C[NH+]1CCC2(CC1)CN(C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)CCO2 ZINC000895122776 689664347 /nfs/dbraw/zinc/66/43/47/689664347.db2.gz SGQRHQMQIRXUOT-IYBDPMFKSA-N 1 3 353.507 2.086 20 0 FEADHO CC[C@@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)N(C)C ZINC000901201261 690624487 /nfs/dbraw/zinc/62/44/87/690624487.db2.gz NMCYBXUEGULJAQ-GBESFXJTSA-N 1 3 352.567 2.122 20 0 FEADHO CC[C@@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)N(C)C ZINC000901201261 690624489 /nfs/dbraw/zinc/62/44/89/690624489.db2.gz NMCYBXUEGULJAQ-GBESFXJTSA-N 1 3 352.567 2.122 20 0 FEADHO CC[C@@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)N(C)C ZINC000901201260 690624496 /nfs/dbraw/zinc/62/44/96/690624496.db2.gz NMCYBXUEGULJAQ-FHWLQOOXSA-N 1 3 352.567 2.122 20 0 FEADHO CC[C@@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)N(C)C ZINC000901201260 690624498 /nfs/dbraw/zinc/62/44/98/690624498.db2.gz NMCYBXUEGULJAQ-FHWLQOOXSA-N 1 3 352.567 2.122 20 0 FEADHO COc1ccc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(OC)c1OC ZINC000904389508 691024061 /nfs/dbraw/zinc/02/40/61/691024061.db2.gz LPAPFXTWNAKFJG-OAHLLOKOSA-N 1 3 350.459 2.042 20 0 FEADHO COc1cc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc(OC)c1OC ZINC000904388945 691024167 /nfs/dbraw/zinc/02/41/67/691024167.db2.gz FMFIFQAGWAKRDL-OAHLLOKOSA-N 1 3 350.459 2.042 20 0 FEADHO Cc1[nH+]c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)cc2[nH]ccc21 ZINC001164743975 720744995 /nfs/dbraw/zinc/74/49/95/720744995.db2.gz QSNHVXBXQMUABL-LSDHHAIUSA-N 1 3 350.426 2.003 20 0 FEADHO Cc1c[nH+]c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cc1N ZINC001164962216 722059292 /nfs/dbraw/zinc/05/92/92/722059292.db2.gz QESHARQEQLURTB-UHFFFAOYSA-N 1 3 367.497 2.486 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000051280870 540429776 /nfs/dbraw/zinc/42/97/76/540429776.db2.gz GVNIMIWWYWJLFE-VQTJNVASSA-N 1 3 356.514 2.400 20 0 FEADHO C[C@@H](CCc1ccco1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759478 540443013 /nfs/dbraw/zinc/44/30/13/540443013.db2.gz VVVXRIRINGCZBT-INIZCTEOSA-N 1 3 362.518 2.459 20 0 FEADHO COc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc2c1OCCO2 ZINC000067453184 541466255 /nfs/dbraw/zinc/46/62/55/541466255.db2.gz YTKDIHYPMMPYME-IYBDPMFKSA-N 1 3 364.486 2.445 20 0 FEADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000072860327 541882941 /nfs/dbraw/zinc/88/29/41/541882941.db2.gz HPJIPHVESWULRJ-KRWDZBQOSA-N 1 3 372.513 2.416 20 0 FEADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000072860327 541882944 /nfs/dbraw/zinc/88/29/44/541882944.db2.gz HPJIPHVESWULRJ-KRWDZBQOSA-N 1 3 372.513 2.416 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000072956228 541897014 /nfs/dbraw/zinc/89/70/14/541897014.db2.gz KYNQXLXCSXUMKF-LJQANCHMSA-N 1 3 358.530 2.189 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000072956228 541897018 /nfs/dbraw/zinc/89/70/18/541897018.db2.gz KYNQXLXCSXUMKF-LJQANCHMSA-N 1 3 358.530 2.189 20 0 FEADHO CCN1CCC(NC(=O)CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000072974781 541900911 /nfs/dbraw/zinc/90/09/11/541900911.db2.gz GVGMDZQYGUQQLV-RBUKOAKNSA-N 1 3 364.578 2.173 20 0 FEADHO CCN1CCC(NC(=O)CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000072974781 541900914 /nfs/dbraw/zinc/90/09/14/541900914.db2.gz GVGMDZQYGUQQLV-RBUKOAKNSA-N 1 3 364.578 2.173 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C[C@@H]1CCCO1 ZINC000074056439 542031692 /nfs/dbraw/zinc/03/16/92/542031692.db2.gz WWYZUZWWUBJGSU-KSZLIROESA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C[C@@H]1CCCO1 ZINC000074056439 542031696 /nfs/dbraw/zinc/03/16/96/542031696.db2.gz WWYZUZWWUBJGSU-KSZLIROESA-N 1 3 354.539 2.002 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC)C2)c1 ZINC000076672185 542310947 /nfs/dbraw/zinc/31/09/47/542310947.db2.gz CJPXMPKDAMETRM-GOSISDBHSA-N 1 3 374.529 2.267 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)c1 ZINC000076672185 542310950 /nfs/dbraw/zinc/31/09/50/542310950.db2.gz CJPXMPKDAMETRM-GOSISDBHSA-N 1 3 374.529 2.267 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000077771657 542418417 /nfs/dbraw/zinc/41/84/17/542418417.db2.gz ROZHLLIFBWMIIW-GOSISDBHSA-N 1 3 360.502 2.007 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000077771657 542418420 /nfs/dbraw/zinc/41/84/20/542418420.db2.gz ROZHLLIFBWMIIW-GOSISDBHSA-N 1 3 360.502 2.007 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)cc1F ZINC000080557226 542594245 /nfs/dbraw/zinc/59/42/45/542594245.db2.gz QDTAVLHFCAPXQR-CQSZACIVSA-N 1 3 356.461 2.203 20 0 FEADHO CC1CC[NH+](CCCNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000081231045 542639586 /nfs/dbraw/zinc/63/95/86/542639586.db2.gz YHCWSBVWOOWXDS-UHFFFAOYSA-N 1 3 372.557 2.437 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)NCCC[NH+]1CCCCC1 ZINC000081230992 542639903 /nfs/dbraw/zinc/63/99/03/542639903.db2.gz ZAASVMPRBJGBBN-UHFFFAOYSA-N 1 3 358.530 2.191 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000091231995 542800242 /nfs/dbraw/zinc/80/02/42/542800242.db2.gz OPNGVYRIAHOZLB-GOSISDBHSA-N 1 3 350.482 2.338 20 0 FEADHO COCCc1nc(C)c([C@H](C)[NH2+]CCCCN2CCN(C)CC2)s1 ZINC000092739000 542884331 /nfs/dbraw/zinc/88/43/31/542884331.db2.gz SBFRNSPMJOLACX-HNNXBMFYSA-N 1 3 354.564 2.319 20 0 FEADHO CCC[NH+]1CCC(NC(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000093118460 542908954 /nfs/dbraw/zinc/90/89/54/542908954.db2.gz AXVWLBFQOLOVBJ-UHFFFAOYSA-N 1 3 359.518 2.472 20 0 FEADHO CCN1CCC(NC(=O)CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000103229793 543098231 /nfs/dbraw/zinc/09/82/31/543098231.db2.gz MEZUDPFJRPJNEP-IBGZPJMESA-N 1 3 364.578 2.175 20 0 FEADHO COc1ccc([C@H](CNC(=O)NCC2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000103295234 543101164 /nfs/dbraw/zinc/10/11/64/543101164.db2.gz FFUOMHPWQWNHGU-FQEVSTJZSA-N 1 3 374.529 2.473 20 0 FEADHO CN(CC1CC[NH+](C)CC1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000103509068 543113094 /nfs/dbraw/zinc/11/30/94/543113094.db2.gz LSRIKEJUOQLUEY-UHFFFAOYSA-N 1 3 358.530 2.418 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccccc1F)[N@H+](C)C1CC1 ZINC000105266869 543167261 /nfs/dbraw/zinc/16/72/61/543167261.db2.gz QPHYSWCUVAETPG-OAHLLOKOSA-N 1 3 350.482 2.382 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccccc1F)[N@@H+](C)C1CC1 ZINC000105266869 543167264 /nfs/dbraw/zinc/16/72/64/543167264.db2.gz QPHYSWCUVAETPG-OAHLLOKOSA-N 1 3 350.482 2.382 20 0 FEADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1nccs1 ZINC000106271027 543221757 /nfs/dbraw/zinc/22/17/57/543221757.db2.gz UGDRYPWOHXNCSK-CYBMUJFWSA-N 1 3 351.520 2.062 20 0 FEADHO CC(C)[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)N1CCN(C)CC1 ZINC000112914789 543467921 /nfs/dbraw/zinc/46/79/21/543467921.db2.gz GSKNGNRGDUBRGW-OAQYLSRUSA-N 1 3 372.557 2.284 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H]3OCCc4ccccc43)CC2)CC1 ZINC000115351954 543561270 /nfs/dbraw/zinc/56/12/70/543561270.db2.gz NCWUTNHUTAALIP-OAQYLSRUSA-N 1 3 371.525 2.365 20 0 FEADHO C[NH+](C)CCCC1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000123211570 543748626 /nfs/dbraw/zinc/74/86/26/543748626.db2.gz XENKWSKBBDCDDC-QGZVFWFLSA-N 1 3 364.486 2.209 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000124988877 543855176 /nfs/dbraw/zinc/85/51/76/543855176.db2.gz UZMANMNLKFKYPP-YTQUADARSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000124988877 543855178 /nfs/dbraw/zinc/85/51/78/543855178.db2.gz UZMANMNLKFKYPP-YTQUADARSA-N 1 3 356.514 2.433 20 0 FEADHO C[NH+](C)CCOc1ccccc1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000125308415 543874401 /nfs/dbraw/zinc/87/44/01/543874401.db2.gz PQCGPEYKBPMFIP-UHFFFAOYSA-N 1 3 374.529 2.397 20 0 FEADHO C[C@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[N@H+](C)C1CC1 ZINC000133934027 544288420 /nfs/dbraw/zinc/28/84/20/544288420.db2.gz IOTHHALCOLVFJJ-CVEARBPZSA-N 1 3 359.518 2.389 20 0 FEADHO C[C@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[N@@H+](C)C1CC1 ZINC000133934027 544288422 /nfs/dbraw/zinc/28/84/22/544288422.db2.gz IOTHHALCOLVFJJ-CVEARBPZSA-N 1 3 359.518 2.389 20 0 FEADHO C[C@@H](Cn1cccn1)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000138121652 544393981 /nfs/dbraw/zinc/39/39/81/544393981.db2.gz CXYMJDQJEMOHIO-FQEVSTJZSA-N 1 3 355.530 2.459 20 0 FEADHO COCC[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000140277385 544407722 /nfs/dbraw/zinc/40/77/22/544407722.db2.gz VXLWHFBXWOOZDR-UHFFFAOYSA-N 1 3 374.529 2.015 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000153898493 544837466 /nfs/dbraw/zinc/83/74/66/544837466.db2.gz PLYDABXQAQXGJH-UHFFFAOYSA-N 1 3 367.559 2.477 20 0 FEADHO CCN1CCN(CCC[NH2+]C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000154219296 544877005 /nfs/dbraw/zinc/87/70/05/544877005.db2.gz GTJKCIVUUXEIRM-UHFFFAOYSA-N 1 3 362.537 2.407 20 0 FEADHO CC(C)(C)[C@H](CCO)NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000183686001 327830614 /nfs/dbraw/zinc/83/06/14/327830614.db2.gz FQZAPCWPDQLYQC-IBGZPJMESA-N 1 3 361.530 2.285 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000185586257 327923707 /nfs/dbraw/zinc/92/37/07/327923707.db2.gz OHQVMFHRNDNVLT-GOSISDBHSA-N 1 3 368.566 2.440 20 0 FEADHO Cc1c([C@H](C)N[C@H](C)CC[NH+]2CCN(C)CC2)nnn1-c1ccc(F)cc1 ZINC000186599547 327970061 /nfs/dbraw/zinc/97/00/61/327970061.db2.gz UNYGOZUBQIBYED-CVEARBPZSA-N 1 3 374.508 2.391 20 0 FEADHO CC1CC[NH+]([C@@H](CNC(=O)c2[nH]nc3c2CNCC3)c2ccccc2)CC1 ZINC000188735843 328107507 /nfs/dbraw/zinc/10/75/07/328107507.db2.gz ZHSQSMMMKZYSFP-IBGZPJMESA-N 1 3 367.497 2.258 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000189498462 328151675 /nfs/dbraw/zinc/15/16/75/328151675.db2.gz ATECOOWPVYQANW-QFBILLFUSA-N 1 3 374.529 2.266 20 0 FEADHO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000189652541 328160084 /nfs/dbraw/zinc/16/00/84/328160084.db2.gz KJWLAANKFYIPPY-QFIPXVFZSA-N 1 3 373.541 2.266 20 0 FEADHO CC[C@@]1(CO)CCC[N@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000189652541 328160085 /nfs/dbraw/zinc/16/00/85/328160085.db2.gz KJWLAANKFYIPPY-QFIPXVFZSA-N 1 3 373.541 2.266 20 0 FEADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(CC2CCC3(CC2)OCCO3)CC1 ZINC000190224571 328195265 /nfs/dbraw/zinc/19/52/65/328195265.db2.gz CAZXREXCAHZDCW-LJQANCHMSA-N 1 3 351.535 2.022 20 0 FEADHO C[N@H+]1CCCC[C@@H]1CN1CCN(CC2CCC3(CC2)OCCO3)CC1 ZINC000190224571 328195267 /nfs/dbraw/zinc/19/52/67/328195267.db2.gz CAZXREXCAHZDCW-LJQANCHMSA-N 1 3 351.535 2.022 20 0 FEADHO CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000191664396 328276340 /nfs/dbraw/zinc/27/63/40/328276340.db2.gz VCMBDTCGXDETAS-PZJWPPBQSA-N 1 3 361.530 2.279 20 0 FEADHO CC(C)C[C@@]1(CO)CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000191664396 328276341 /nfs/dbraw/zinc/27/63/41/328276341.db2.gz VCMBDTCGXDETAS-PZJWPPBQSA-N 1 3 361.530 2.279 20 0 FEADHO COC(=O)C1CCC([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000192439759 328319060 /nfs/dbraw/zinc/31/90/60/328319060.db2.gz MDHNGZYKMBSTKM-UHFFFAOYSA-N 1 3 359.514 2.255 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000194103589 328411191 /nfs/dbraw/zinc/41/11/91/328411191.db2.gz ZOIPVVDIXPWPJA-CEXWTWQISA-N 1 3 357.498 2.025 20 0 FEADHO CN(C)[C@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000077671084 325003866 /nfs/dbraw/zinc/00/38/66/325003866.db2.gz RZJQPEACVMTKMP-YLJYHZDGSA-N 1 3 374.529 2.089 20 0 FEADHO C[C@H]1CN(CCC2CCN(C(=O)C3([NH3+])CCCCC3)CC2)C[C@H](C)O1 ZINC000237605103 328521894 /nfs/dbraw/zinc/52/18/94/328521894.db2.gz OKPUNAAFDWCWTC-IRXDYDNUSA-N 1 3 351.535 2.386 20 0 FEADHO COC(=O)c1oc([C@@H](C)N(C)CCN(C)C2CC[NH+](C)CC2)cc1C ZINC000089269369 325308995 /nfs/dbraw/zinc/30/89/95/325308995.db2.gz ZDEVFCKZXXLEON-OAHLLOKOSA-N 1 3 351.491 2.393 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Br)ccc1F ZINC000103210945 325510272 /nfs/dbraw/zinc/51/02/72/325510272.db2.gz OYHDAXWZPDZXAR-UHFFFAOYSA-N 1 3 360.271 2.154 20 0 FEADHO Cc1ccc(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000116429266 326014409 /nfs/dbraw/zinc/01/44/09/326014409.db2.gz KEMKOEVVVHMHJN-UHFFFAOYSA-N 1 3 358.530 2.395 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000118126606 326084157 /nfs/dbraw/zinc/08/41/57/326084157.db2.gz MDKYNIYKMLJKQV-LJQANCHMSA-N 1 3 374.529 2.458 20 0 FEADHO COCCN(C)CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000119440205 326162789 /nfs/dbraw/zinc/16/27/89/326162789.db2.gz KAUSGBRMHZHUOU-SFHVURJKSA-N 1 3 368.566 2.251 20 0 FEADHO COCCN(C)CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000119440205 326162791 /nfs/dbraw/zinc/16/27/91/326162791.db2.gz KAUSGBRMHZHUOU-SFHVURJKSA-N 1 3 368.566 2.251 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cnc(C(C)(C)C)nc3)CC2)CC1 ZINC000119989611 326218902 /nfs/dbraw/zinc/21/89/02/326218902.db2.gz HFYHCQJWNHIWSC-UHFFFAOYSA-N 1 3 374.533 2.454 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cc(F)ccc1Br ZINC000129361554 326539041 /nfs/dbraw/zinc/53/90/41/326539041.db2.gz SFPVYNXLYPBVQQ-UHFFFAOYSA-N 1 3 374.298 2.083 20 0 FEADHO Cc1cccc(C(C)C)c1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130607191 326560026 /nfs/dbraw/zinc/56/00/26/326560026.db2.gz NMVYQWKEVRMMLG-UHFFFAOYSA-N 1 3 362.518 2.009 20 0 FEADHO CN(C)S(=O)(=O)c1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000130734002 326562294 /nfs/dbraw/zinc/56/22/94/326562294.db2.gz VVSPUVJLQJYTSI-UHFFFAOYSA-N 1 3 353.532 2.101 20 0 FEADHO CC(=O)Nc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(Cl)c1 ZINC000131847394 326582784 /nfs/dbraw/zinc/58/27/84/326582784.db2.gz YPWGLNQTWRIYFA-UHFFFAOYSA-N 1 3 369.897 2.256 20 0 FEADHO CN(c1ccccc1CNCCNC(=O)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000133967645 326617638 /nfs/dbraw/zinc/61/76/38/326617638.db2.gz VJZNGZCXSVSRCO-UHFFFAOYSA-N 1 3 360.546 2.469 20 0 FEADHO CN(C)[C@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000136080665 326649724 /nfs/dbraw/zinc/64/97/24/326649724.db2.gz GHFFWDXFCWPUSF-GOSISDBHSA-N 1 3 356.470 2.055 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000155699519 326800910 /nfs/dbraw/zinc/80/09/10/326800910.db2.gz CPHBTZTXCBHMPG-HZPDHXFCSA-N 1 3 362.518 2.330 20 0 FEADHO COC1(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CC[NH2+]CC1 ZINC000165730215 327078896 /nfs/dbraw/zinc/07/88/96/327078896.db2.gz CEIVJCHSQLRTCD-LJQANCHMSA-N 1 3 359.514 2.344 20 0 FEADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000165995635 327080336 /nfs/dbraw/zinc/08/03/36/327080336.db2.gz FBFYTMVNHJBJJF-DZGCQCFKSA-N 1 3 360.495 2.237 20 0 FEADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168948732 327087740 /nfs/dbraw/zinc/08/77/40/327087740.db2.gz IXUTVPNDGOQJTK-NRFANRHFSA-N 1 3 361.530 2.052 20 0 FEADHO O=C(C[C@@H]1CCC[NH2+]1)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000169225230 327088195 /nfs/dbraw/zinc/08/81/95/327088195.db2.gz VSHMCARWAORDHX-KRWDZBQOSA-N 1 3 365.905 2.442 20 0 FEADHO Cc1csc([C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000170805022 327099792 /nfs/dbraw/zinc/09/97/92/327099792.db2.gz YUXVTSLWHWILDY-AWEZNQCLSA-N 1 3 365.547 2.370 20 0 FEADHO C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)N1CCCCCC1 ZINC000173338958 327250724 /nfs/dbraw/zinc/25/07/24/327250724.db2.gz WIQNOSJPEOXJDT-GOSISDBHSA-N 1 3 351.535 2.402 20 0 FEADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000173539853 327264866 /nfs/dbraw/zinc/26/48/66/327264866.db2.gz INQDEEXPGBANRH-HXUWFJFHSA-N 1 3 354.498 2.438 20 0 FEADHO C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000174503877 327330987 /nfs/dbraw/zinc/33/09/87/327330987.db2.gz WARZQYDFKMYGCX-OTWHNJEPSA-N 1 3 364.578 2.314 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)C3CC[NH+](C)CC3)CC2)c1 ZINC000174606897 327338283 /nfs/dbraw/zinc/33/82/83/327338283.db2.gz SINKXNZZXHELKF-UHFFFAOYSA-N 1 3 372.557 2.355 20 0 FEADHO CCN1CCN(c2ccccc2NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000174635063 327340353 /nfs/dbraw/zinc/34/03/53/327340353.db2.gz MLRHLEVYSOCOTP-GOSISDBHSA-N 1 3 369.513 2.307 20 0 FEADHO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174883921 327357877 /nfs/dbraw/zinc/35/78/77/327357877.db2.gz KTLNJVFVJDTISC-ZVDOUQERSA-N 1 3 372.557 2.354 20 0 FEADHO CCC[NH+]1CCC(CNC(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000176296143 327446901 /nfs/dbraw/zinc/44/69/01/327446901.db2.gz HKKVFFUEPOBJBX-UHFFFAOYSA-N 1 3 368.566 2.297 20 0 FEADHO CN(c1ccccc1C[NH2+]CCCN1CCOC1=O)C1CCN(C)CC1 ZINC000177575321 327531156 /nfs/dbraw/zinc/53/11/56/327531156.db2.gz MMRMKESSNJADFL-UHFFFAOYSA-N 1 3 360.502 2.149 20 0 FEADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C[C@H]1CSCCN1 ZINC000262748319 328886317 /nfs/dbraw/zinc/88/63/17/328886317.db2.gz GFPAVDAXZHIGFG-ZDUSSCGKSA-N 1 3 355.470 2.204 20 0 FEADHO Cc1c(C(=O)N(CCCN(C)C)CCC[NH+](C)C)oc2c1C(=O)CCC2 ZINC000264869199 329069165 /nfs/dbraw/zinc/06/91/65/329069165.db2.gz GKEFCPPKWOEUOO-UHFFFAOYSA-N 1 3 363.502 2.453 20 0 FEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000265485892 329132009 /nfs/dbraw/zinc/13/20/09/329132009.db2.gz ACAMUAUCVUDKMF-IBGZPJMESA-N 1 3 362.518 2.048 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000266770671 329258253 /nfs/dbraw/zinc/25/82/53/329258253.db2.gz PXIUTDBBMKQFLR-RXVVDRJESA-N 1 3 370.541 2.475 20 0 FEADHO CN(C)C1(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)Cc2ccccc2C1 ZINC000266860460 329266714 /nfs/dbraw/zinc/26/67/14/329266714.db2.gz OLLXLZUVPCFIHV-SFHVURJKSA-N 1 3 370.541 2.213 20 0 FEADHO CCN1CCN(CCC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000266893778 329269805 /nfs/dbraw/zinc/26/98/05/329269805.db2.gz GALBRWOJOLSLQM-IBGZPJMESA-N 1 3 360.546 2.041 20 0 FEADHO CCN1CCN(CCC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000266893778 329269807 /nfs/dbraw/zinc/26/98/07/329269807.db2.gz GALBRWOJOLSLQM-IBGZPJMESA-N 1 3 360.546 2.041 20 0 FEADHO C[NH+](C)C1CCN(CCNC(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000267223236 329304158 /nfs/dbraw/zinc/30/41/58/329304158.db2.gz HQCWNIXDHMNFKE-UHFFFAOYSA-N 1 3 372.557 2.428 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2CCN(C)C)CC1 ZINC000275440857 330049186 /nfs/dbraw/zinc/04/91/86/330049186.db2.gz KIYKATQGFYZYET-UHFFFAOYSA-N 1 3 374.529 2.110 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NC2CCN(CCc3ccncc3)CC2)CC[N@@H+]1C ZINC000361441762 330203985 /nfs/dbraw/zinc/20/39/85/330203985.db2.gz VJWQHLARDGMCLW-YLJYHZDGSA-N 1 3 373.545 2.213 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NC2CCN(CCc3ccncc3)CC2)CC[N@H+]1C ZINC000361441762 330203986 /nfs/dbraw/zinc/20/39/86/330203986.db2.gz VJWQHLARDGMCLW-YLJYHZDGSA-N 1 3 373.545 2.213 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C(=O)OC)n(C)c2)[C@H](C)C1 ZINC000554860430 674339045 /nfs/dbraw/zinc/33/90/45/674339045.db2.gz DRWZXVRFYYYAQI-WBVHZDCISA-N 1 3 351.491 2.038 20 0 FEADHO CC[C@H](C)[C@H](N)C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000182513418 517805679 /nfs/dbraw/zinc/80/56/79/517805679.db2.gz QZDFVILYCLKPBT-VDGAXYAQSA-N 1 3 361.530 2.264 20 0 FEADHO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccn(CCN(C)C)n2)c1 ZINC000156230444 545610089 /nfs/dbraw/zinc/61/00/89/545610089.db2.gz OKEOUYIMWRQCPF-UHFFFAOYSA-N 1 3 358.490 2.218 20 0 FEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccn(CCN(C)C)n2)c1 ZINC000156230444 545610093 /nfs/dbraw/zinc/61/00/93/545610093.db2.gz OKEOUYIMWRQCPF-UHFFFAOYSA-N 1 3 358.490 2.218 20 0 FEADHO CN(C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000477431502 561144922 /nfs/dbraw/zinc/14/49/22/561144922.db2.gz USVWKCWBGFXCIF-TZIWHRDSSA-N 1 3 370.541 2.429 20 0 FEADHO CN(C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000477431502 561144923 /nfs/dbraw/zinc/14/49/23/561144923.db2.gz USVWKCWBGFXCIF-TZIWHRDSSA-N 1 3 370.541 2.429 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])cc2)CC1 ZINC000156970940 545683120 /nfs/dbraw/zinc/68/31/20/545683120.db2.gz CPBNMZOPKVCVOM-FXAWDEMLSA-N 1 3 358.530 2.416 20 0 FEADHO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000477573081 561148215 /nfs/dbraw/zinc/14/82/15/561148215.db2.gz HQCRVLAZTBXYTM-UHFFFAOYSA-N 1 3 353.532 2.149 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000158301135 545846714 /nfs/dbraw/zinc/84/67/14/545846714.db2.gz IIBNMTPVXAZVIB-OAQYLSRUSA-N 1 3 356.514 2.043 20 0 FEADHO COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCN(C3CC3)C2)c1 ZINC000478843296 561176017 /nfs/dbraw/zinc/17/60/17/561176017.db2.gz OVWDFBDNICKKCV-QGZVFWFLSA-N 1 3 360.502 2.005 20 0 FEADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000176040359 546394888 /nfs/dbraw/zinc/39/48/88/546394888.db2.gz IFNNHARHUAAVPL-SFHVURJKSA-N 1 3 362.518 2.253 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000176062770 546400549 /nfs/dbraw/zinc/40/05/49/546400549.db2.gz VDLGKWGQEYPYGK-IBGZPJMESA-N 1 3 374.529 2.232 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)c1 ZINC000177094432 546544358 /nfs/dbraw/zinc/54/43/58/546544358.db2.gz DEKAZZYHCSXDEQ-MOPGFXCFSA-N 1 3 370.541 2.249 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)CC2)c1 ZINC000177094432 546544362 /nfs/dbraw/zinc/54/43/62/546544362.db2.gz DEKAZZYHCSXDEQ-MOPGFXCFSA-N 1 3 370.541 2.249 20 0 FEADHO C[C@H](CNC(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000177383955 546605817 /nfs/dbraw/zinc/60/58/17/546605817.db2.gz BDABBFYPANBNFT-MOPGFXCFSA-N 1 3 374.573 2.253 20 0 FEADHO C[C@@H](CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000481036936 561223405 /nfs/dbraw/zinc/22/34/05/561223405.db2.gz OPRROFTWSRVNMC-MAUKXSAKSA-N 1 3 350.482 2.460 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481064881 561224385 /nfs/dbraw/zinc/22/43/85/561224385.db2.gz WJNVBGYTEWTLSN-AEFFLSMTSA-N 1 3 356.580 2.235 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481064881 561224386 /nfs/dbraw/zinc/22/43/86/561224386.db2.gz WJNVBGYTEWTLSN-AEFFLSMTSA-N 1 3 356.580 2.235 20 0 FEADHO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(OCCN(C)C)cc1 ZINC000179986447 547036600 /nfs/dbraw/zinc/03/66/00/547036600.db2.gz MOCBBUKFLOTBDA-QFBILLFUSA-N 1 3 364.486 2.200 20 0 FEADHO C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000179986447 547036604 /nfs/dbraw/zinc/03/66/04/547036604.db2.gz MOCBBUKFLOTBDA-QFBILLFUSA-N 1 3 364.486 2.200 20 0 FEADHO C[C@H](C(=O)N(C)C1CCCCC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180957809 547219434 /nfs/dbraw/zinc/21/94/34/547219434.db2.gz BULKLYVQZXWFRJ-QGZVFWFLSA-N 1 3 352.567 2.124 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@H]2CCCN2C2CCCC2)C[C@@H]1[NH+]1CCCC1 ZINC000483416248 561276601 /nfs/dbraw/zinc/27/66/01/561276601.db2.gz XEEGOUWKVYNNFL-FGTMMUONSA-N 1 3 351.560 2.432 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182150480 547444258 /nfs/dbraw/zinc/44/42/58/547444258.db2.gz SEWYIORLSJITIP-KRWDZBQOSA-N 1 3 374.529 2.376 20 0 FEADHO C(N1CC[C@H]2OCCC[C@@H]2C1)C1(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)COC1 ZINC000182244652 547460174 /nfs/dbraw/zinc/46/01/74/547460174.db2.gz NEQZIEAUCPQTQV-FGYAAKKASA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CC[C@H]2OCCC[C@@H]2C1)C1(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)COC1 ZINC000182244652 547460181 /nfs/dbraw/zinc/46/01/81/547460181.db2.gz NEQZIEAUCPQTQV-FGYAAKKASA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CC[C@@H]2OCCC[C@H]2C1)C1(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)COC1 ZINC000182244652 547460184 /nfs/dbraw/zinc/46/01/84/547460184.db2.gz NEQZIEAUCPQTQV-FGYAAKKASA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CC[C@@H]2OCCC[C@H]2C1)C1(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)COC1 ZINC000182244652 547460188 /nfs/dbraw/zinc/46/01/88/547460188.db2.gz NEQZIEAUCPQTQV-FGYAAKKASA-N 1 3 364.530 2.005 20 0 FEADHO CCOC(=O)CCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182569948 547515696 /nfs/dbraw/zinc/51/56/96/547515696.db2.gz DDDYTKDJISAFKZ-DFNIBXOVSA-N 1 3 351.535 2.353 20 0 FEADHO CCOC(=O)CCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182569948 547515699 /nfs/dbraw/zinc/51/56/99/547515699.db2.gz DDDYTKDJISAFKZ-DFNIBXOVSA-N 1 3 351.535 2.353 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ncc(OC)s1 ZINC000484623665 561301384 /nfs/dbraw/zinc/30/13/84/561301384.db2.gz VUZOPGGZIAFQCK-ZDUSSCGKSA-N 1 3 355.508 2.032 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ncc(OC)s1 ZINC000484623665 561301385 /nfs/dbraw/zinc/30/13/85/561301385.db2.gz VUZOPGGZIAFQCK-ZDUSSCGKSA-N 1 3 355.508 2.032 20 0 FEADHO CCN(CC)[C@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000485773679 561327522 /nfs/dbraw/zinc/32/75/22/561327522.db2.gz HUCITDLYYMEPCD-QZTJIDSGSA-N 1 3 370.501 2.016 20 0 FEADHO CN(CC[N@H+](C)C1CC1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000186744392 548183845 /nfs/dbraw/zinc/18/38/45/548183845.db2.gz YRCCSYDEGRYPNH-UHFFFAOYSA-N 1 3 358.530 2.141 20 0 FEADHO CN(CC[N@@H+](C)C1CC1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000186744392 548183847 /nfs/dbraw/zinc/18/38/47/548183847.db2.gz YRCCSYDEGRYPNH-UHFFFAOYSA-N 1 3 358.530 2.141 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)NC1CCN(C2CC2)CC1 ZINC000193985431 548418177 /nfs/dbraw/zinc/41/81/77/548418177.db2.gz SSVKLBDLRZRDHK-GOSISDBHSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CCN(C2CC2)CC1 ZINC000193985431 548418184 /nfs/dbraw/zinc/41/81/84/548418184.db2.gz SSVKLBDLRZRDHK-GOSISDBHSA-N 1 3 356.514 2.435 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccccc1F ZINC000195118734 548579528 /nfs/dbraw/zinc/57/95/28/548579528.db2.gz CIXCZFULVDCJOP-KRWDZBQOSA-N 1 3 350.482 2.383 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccccc1F ZINC000195118734 548579530 /nfs/dbraw/zinc/57/95/30/548579530.db2.gz CIXCZFULVDCJOP-KRWDZBQOSA-N 1 3 350.482 2.383 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)NC[C@H]2CCCN2C)cc1 ZINC000195127276 548581589 /nfs/dbraw/zinc/58/15/89/548581589.db2.gz ZHOPREYSLLLZQN-GOSISDBHSA-N 1 3 362.518 2.301 20 0 FEADHO COCCN1CCC(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000195142520 548583733 /nfs/dbraw/zinc/58/37/33/548583733.db2.gz PEZJVPDTDTVSEZ-HDICACEKSA-N 1 3 368.566 2.155 20 0 FEADHO COCCN1CCC(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000195142520 548583736 /nfs/dbraw/zinc/58/37/36/548583736.db2.gz PEZJVPDTDTVSEZ-HDICACEKSA-N 1 3 368.566 2.155 20 0 FEADHO COCC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000195143854 548583984 /nfs/dbraw/zinc/58/39/84/548583984.db2.gz JJGMUWLRAUTFLS-HXUWFJFHSA-N 1 3 374.529 2.061 20 0 FEADHO CCC(CC)(C[NH3+])C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000236639621 548769736 /nfs/dbraw/zinc/76/97/36/548769736.db2.gz UAPRQSSANBHEAF-IAGOWNOFSA-N 1 3 353.551 2.489 20 0 FEADHO CC1CC[NH+]([C@H](CNC(=O)CNC[C@H]2CCCO2)c2ccccc2)CC1 ZINC000236659768 548771029 /nfs/dbraw/zinc/77/10/29/548771029.db2.gz HIXGQMCPXXJKED-WOJBJXKFSA-N 1 3 359.514 2.344 20 0 FEADHO CCN(CC)[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000236888151 548787157 /nfs/dbraw/zinc/78/71/57/548787157.db2.gz ZRYGOIYCDNEQBJ-LJQANCHMSA-N 1 3 370.501 2.016 20 0 FEADHO O=C(NCC[NH2+]C1CC1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237793426 548853052 /nfs/dbraw/zinc/85/30/52/548853052.db2.gz DOZCNMIAPCLJQD-QGZVFWFLSA-N 1 3 355.404 2.309 20 0 FEADHO C[C@H](CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000487792105 561376001 /nfs/dbraw/zinc/37/60/01/561376001.db2.gz BIFJIPSHZNQJCK-ICBNADEASA-N 1 3 350.551 2.479 20 0 FEADHO C[C@H](CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000487792105 561376002 /nfs/dbraw/zinc/37/60/02/561376002.db2.gz BIFJIPSHZNQJCK-ICBNADEASA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000245929515 549022924 /nfs/dbraw/zinc/02/29/24/549022924.db2.gz PKUVMVVRZHJRPI-MSOLQXFVSA-N 1 3 361.534 2.275 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000245929515 549022929 /nfs/dbraw/zinc/02/29/29/549022929.db2.gz PKUVMVVRZHJRPI-MSOLQXFVSA-N 1 3 361.534 2.275 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)C[C@H](C)O1 ZINC000246715859 549194064 /nfs/dbraw/zinc/19/40/64/549194064.db2.gz XEBIKROXMRPCPR-ZRSLWSEBSA-N 1 3 363.546 2.255 20 0 FEADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000246955261 549250244 /nfs/dbraw/zinc/25/02/44/549250244.db2.gz IHRIEFLBYNWBPG-CVEARBPZSA-N 1 3 351.516 2.219 20 0 FEADHO CC(C)[C@@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CCN1C ZINC000489318565 561408107 /nfs/dbraw/zinc/40/81/07/561408107.db2.gz IFWVUIMHMLFTGZ-NRFANRHFSA-N 1 3 372.557 2.387 20 0 FEADHO C[C@H](C(=O)NCc1ccccc1CN1CC[C@@H](O)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000248434689 549436303 /nfs/dbraw/zinc/43/63/03/549436303.db2.gz REYDBUDATIROJF-AXVVYFOYSA-N 1 3 359.514 2.131 20 0 FEADHO C[C@H](C(=O)NCc1ccccc1CN1CC[C@@H](O)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000248434689 549436306 /nfs/dbraw/zinc/43/63/06/549436306.db2.gz REYDBUDATIROJF-AXVVYFOYSA-N 1 3 359.514 2.131 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000248773962 549500634 /nfs/dbraw/zinc/50/06/34/549500634.db2.gz HLVKFCVNODDHKK-FXAWDEMLSA-N 1 3 358.530 2.490 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000249347980 549582137 /nfs/dbraw/zinc/58/21/37/549582137.db2.gz OVKQNHNHYULIBL-PZJWPPBQSA-N 1 3 372.557 2.213 20 0 FEADHO CCc1cc(OC)ccc1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261642481 549738036 /nfs/dbraw/zinc/73/80/36/549738036.db2.gz AKTYSOJCUSWCAN-OXQOHEQNSA-N 1 3 359.514 2.338 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC4(CC[NH2+]C4)CC3)cc2)CC1 ZINC000261828934 549759707 /nfs/dbraw/zinc/75/97/07/549759707.db2.gz OQUJAMYASZYMBN-UHFFFAOYSA-N 1 3 370.541 2.433 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261926920 549770106 /nfs/dbraw/zinc/77/01/06/549770106.db2.gz VTEWSRSIIIPRLK-HNAYVOBHSA-N 1 3 368.481 2.021 20 0 FEADHO c1ccc(COc2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc2)nc1 ZINC000262178162 549795463 /nfs/dbraw/zinc/79/54/63/549795463.db2.gz WINUELBAKZAINI-FQEVSTJZSA-N 1 3 352.482 2.140 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000262623461 549833069 /nfs/dbraw/zinc/83/30/69/549833069.db2.gz AFPQNNPBLKHPKD-RBUKOAKNSA-N 1 3 358.530 2.141 20 0 FEADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262704112 549841003 /nfs/dbraw/zinc/84/10/03/549841003.db2.gz CUSVQPNKRBAJHC-AZUAARDMSA-N 1 3 367.497 2.375 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000262767402 549848045 /nfs/dbraw/zinc/84/80/45/549848045.db2.gz GMZYHGNHSYEUQK-WOIUINJBSA-N 1 3 373.541 2.499 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000262767402 549848047 /nfs/dbraw/zinc/84/80/47/549848047.db2.gz GMZYHGNHSYEUQK-WOIUINJBSA-N 1 3 373.541 2.499 20 0 FEADHO CN(CCN1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1)Cc1ccccc1 ZINC000263191495 549884428 /nfs/dbraw/zinc/88/44/28/549884428.db2.gz HXQYGAGERQUHED-IRLDBZIGSA-N 1 3 372.557 2.170 20 0 FEADHO CCCN(CCN1CCCC1)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000490562246 561435241 /nfs/dbraw/zinc/43/52/41/561435241.db2.gz DUPBQBIGJVTONU-UHFFFAOYSA-N 1 3 354.539 2.005 20 0 FEADHO C[C@H]1CN(CCOCCOc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490994957 561441507 /nfs/dbraw/zinc/44/15/07/561441507.db2.gz MSZQHEVSCBLQRC-PZJWPPBQSA-N 1 3 361.530 2.040 20 0 FEADHO C[C@H]1C[N@H+](CCOCCOc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000490994957 561441508 /nfs/dbraw/zinc/44/15/08/561441508.db2.gz MSZQHEVSCBLQRC-PZJWPPBQSA-N 1 3 361.530 2.040 20 0 FEADHO C[C@H]1C[N@@H+](CCOCCOc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000490994957 561441509 /nfs/dbraw/zinc/44/15/09/561441509.db2.gz MSZQHEVSCBLQRC-PZJWPPBQSA-N 1 3 361.530 2.040 20 0 FEADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(O)CCN(C(C)C)CC2)cc1 ZINC000269012907 550144625 /nfs/dbraw/zinc/14/46/25/550144625.db2.gz NNEBKMJBGRLKOR-MRXNPFEDSA-N 1 3 363.502 2.237 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000269277881 550175831 /nfs/dbraw/zinc/17/58/31/550175831.db2.gz YKIWPWURZZJJGK-NVXWUHKLSA-N 1 3 363.477 2.303 20 0 FEADHO C[N@@H+]1CC[C@H]2CCN(C(=O)CCCN3CCN(c4ccccc4)CC3)[C@@H]2C1 ZINC000493469391 561456269 /nfs/dbraw/zinc/45/62/69/561456269.db2.gz ZKFWRHWDEILFJI-PZJWPPBQSA-N 1 3 370.541 2.141 20 0 FEADHO C[N@H+]1CC[C@H]2CCN(C(=O)CCCN3CCN(c4ccccc4)CC3)[C@@H]2C1 ZINC000493469391 561456270 /nfs/dbraw/zinc/45/62/70/561456270.db2.gz ZKFWRHWDEILFJI-PZJWPPBQSA-N 1 3 370.541 2.141 20 0 FEADHO CCN(CC)C(=O)C[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000272738101 550467746 /nfs/dbraw/zinc/46/77/46/550467746.db2.gz KISKBVYCASTKGZ-FXAWDEMLSA-N 1 3 361.530 2.380 20 0 FEADHO CCN(CC)C(=O)C[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272738101 550467747 /nfs/dbraw/zinc/46/77/47/550467747.db2.gz KISKBVYCASTKGZ-FXAWDEMLSA-N 1 3 361.530 2.380 20 0 FEADHO CC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)N(CC)CC ZINC000273221393 550490217 /nfs/dbraw/zinc/49/02/17/550490217.db2.gz VJZMAMRHKRARAN-UXHICEINSA-N 1 3 361.530 2.380 20 0 FEADHO CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N(CC)CC ZINC000273221393 550490218 /nfs/dbraw/zinc/49/02/18/550490218.db2.gz VJZMAMRHKRARAN-UXHICEINSA-N 1 3 361.530 2.380 20 0 FEADHO COCCOCCOCCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000274697045 550549796 /nfs/dbraw/zinc/54/97/96/550549796.db2.gz WVPZFKNBRCSNLR-SFHVURJKSA-N 1 3 368.518 2.347 20 0 FEADHO COC1(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)CCOCC1 ZINC000276997312 550620060 /nfs/dbraw/zinc/62/00/60/550620060.db2.gz JKTZZKJXFNHNDP-UHFFFAOYSA-N 1 3 361.530 2.374 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCCO1 ZINC000277383016 550663821 /nfs/dbraw/zinc/66/38/21/550663821.db2.gz JVGSLNUUVIUPJX-QUCCMNQESA-N 1 3 374.529 2.061 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCCO1 ZINC000277383016 550663823 /nfs/dbraw/zinc/66/38/23/550663823.db2.gz JVGSLNUUVIUPJX-QUCCMNQESA-N 1 3 374.529 2.061 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000278057204 550743822 /nfs/dbraw/zinc/74/38/22/550743822.db2.gz YMLBLCGFFXQZKY-ABSDTBQOSA-N 1 3 359.514 2.170 20 0 FEADHO Cc1ccc([C@H](CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)N2CCCC2)cc1 ZINC000278933461 550837654 /nfs/dbraw/zinc/83/76/54/550837654.db2.gz FJWZOICNDUAAIQ-XLIONFOSSA-N 1 3 367.497 2.362 20 0 FEADHO C[C@@H]1CC[C@](CO)(N(C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000495238502 561485299 /nfs/dbraw/zinc/48/52/99/561485299.db2.gz HNUYURCXSYIHKF-GCJKJVERSA-N 1 3 373.541 2.382 20 0 FEADHO C[C@@H](CN(C)C)NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000497348527 561498945 /nfs/dbraw/zinc/49/89/45/561498945.db2.gz YFXVVVAFGQMJFU-IRXDYDNUSA-N 1 3 362.518 2.136 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)C1 ZINC000497371733 561499612 /nfs/dbraw/zinc/49/96/12/561499612.db2.gz RDZCNQGQOFVWOT-MHORFTMASA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)C1 ZINC000497371733 561499613 /nfs/dbraw/zinc/49/96/13/561499613.db2.gz RDZCNQGQOFVWOT-MHORFTMASA-N 1 3 350.551 2.479 20 0 FEADHO CN(C)CCOc1cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)ccn1 ZINC000282301047 551208900 /nfs/dbraw/zinc/20/89/00/551208900.db2.gz RMOYJTOHFCIZJQ-UHFFFAOYSA-N 1 3 360.424 2.138 20 0 FEADHO CN(CCN1CCCC1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000497724577 561507348 /nfs/dbraw/zinc/50/73/48/561507348.db2.gz CCPQDHLPFJZXIF-UHFFFAOYSA-N 1 3 374.529 2.398 20 0 FEADHO CC[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1(C(=O)OC)CCC1 ZINC000497835058 561509610 /nfs/dbraw/zinc/50/96/10/561509610.db2.gz CJLAMPXVAVGAJC-IBGZPJMESA-N 1 3 374.529 2.305 20 0 FEADHO CC(C)[C@@H](CNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)[NH+]1CCC(C)CC1 ZINC000498150665 561517117 /nfs/dbraw/zinc/51/71/17/561517117.db2.gz HWGDVUMSQXGBEM-OTWHNJEPSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000498206806 561518595 /nfs/dbraw/zinc/51/85/95/561518595.db2.gz OANALLQCHVOAGU-IRLDBZIGSA-N 1 3 372.557 2.218 20 0 FEADHO CCN1C[C@H](C)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000498915333 561537650 /nfs/dbraw/zinc/53/76/50/561537650.db2.gz MQFGMVDAGIQTJK-OALUTQOASA-N 1 3 372.557 2.313 20 0 FEADHO COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000286256159 551866361 /nfs/dbraw/zinc/86/63/61/551866361.db2.gz UOLSMKGZMJYUBZ-HXUWFJFHSA-N 1 3 355.482 2.420 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000287316712 551988684 /nfs/dbraw/zinc/98/86/84/551988684.db2.gz DFJDCPAXCMYUAP-HZPDHXFCSA-N 1 3 373.419 2.178 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000287458018 552006599 /nfs/dbraw/zinc/00/65/99/552006599.db2.gz XKYBWQJDITUOTD-QYZOEREBSA-N 1 3 360.502 2.224 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000287458018 552006600 /nfs/dbraw/zinc/00/66/00/552006600.db2.gz XKYBWQJDITUOTD-QYZOEREBSA-N 1 3 360.502 2.224 20 0 FEADHO COC(=O)CC[C@H](N)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000289999373 552411992 /nfs/dbraw/zinc/41/19/92/552411992.db2.gz RPGCJUOWQQWAMO-SFHVURJKSA-N 1 3 361.486 2.180 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccn2ccnc2c1 ZINC000290851700 552549566 /nfs/dbraw/zinc/54/95/66/552549566.db2.gz ZNBRWJCPUKGSSF-KRWDZBQOSA-N 1 3 358.490 2.214 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccn2ccnc2c1 ZINC000290851700 552549568 /nfs/dbraw/zinc/54/95/68/552549568.db2.gz ZNBRWJCPUKGSSF-KRWDZBQOSA-N 1 3 358.490 2.214 20 0 FEADHO CC(C)[C@@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)N1CCCCC1 ZINC000501145963 561591290 /nfs/dbraw/zinc/59/12/90/561591290.db2.gz ZOWFBYGYCVTKGZ-UXHICEINSA-N 1 3 364.578 2.125 20 0 FEADHO CC(C)[C@@H](C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)N1CCCCC1 ZINC000501145963 561591291 /nfs/dbraw/zinc/59/12/91/561591291.db2.gz ZOWFBYGYCVTKGZ-UXHICEINSA-N 1 3 364.578 2.125 20 0 FEADHO O[C@@H](Cc1ccc(F)cc1)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000292908294 552770048 /nfs/dbraw/zinc/77/00/48/552770048.db2.gz WPSKBFFIVKDIDK-IBGZPJMESA-N 1 3 350.478 2.306 20 0 FEADHO C[C@@H]1CCC[N@H+](CCNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000501549110 561600352 /nfs/dbraw/zinc/60/03/52/561600352.db2.gz IASCMMYYUMZWAO-QGZVFWFLSA-N 1 3 368.591 2.379 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000501549110 561600353 /nfs/dbraw/zinc/60/03/53/561600353.db2.gz IASCMMYYUMZWAO-QGZVFWFLSA-N 1 3 368.591 2.379 20 0 FEADHO OCCCN1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000295045194 552953780 /nfs/dbraw/zinc/95/37/80/552953780.db2.gz FFJIZPAUTZSCNG-CIAFKFPVSA-N 1 3 357.542 2.333 20 0 FEADHO OCCCN1CCC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000295045194 552953783 /nfs/dbraw/zinc/95/37/83/552953783.db2.gz FFJIZPAUTZSCNG-CIAFKFPVSA-N 1 3 357.542 2.333 20 0 FEADHO OCCCN1CCC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000295045194 552953784 /nfs/dbraw/zinc/95/37/84/552953784.db2.gz FFJIZPAUTZSCNG-CIAFKFPVSA-N 1 3 357.542 2.333 20 0 FEADHO CCN1CCN(CCC[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000297585787 553312076 /nfs/dbraw/zinc/31/20/76/553312076.db2.gz IUQKILFQZACUBY-IBGZPJMESA-N 1 3 360.546 2.029 20 0 FEADHO CC(C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)S(C)(=O)=O ZINC000298576459 553443174 /nfs/dbraw/zinc/44/31/74/553443174.db2.gz DAVNZEJYNXWQKL-CABCVRRESA-N 1 3 352.500 2.110 20 0 FEADHO CC(C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)S(C)(=O)=O ZINC000298576459 553443176 /nfs/dbraw/zinc/44/31/76/553443176.db2.gz DAVNZEJYNXWQKL-CABCVRRESA-N 1 3 352.500 2.110 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCc4ccccc4C3)CC2)CC1 ZINC000299558384 553581249 /nfs/dbraw/zinc/58/12/49/553581249.db2.gz MDQIWLIXHRLJGB-FQEVSTJZSA-N 1 3 370.541 2.402 20 0 FEADHO CC1CCN(C(=[NH2+])NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000303262462 553744058 /nfs/dbraw/zinc/74/40/58/553744058.db2.gz PWFUSUPTBAADPT-UHFFFAOYSA-N 1 3 357.546 2.451 20 0 FEADHO C[C@@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)N1CCC[C@@H](C)C1 ZINC000330985869 554197368 /nfs/dbraw/zinc/19/73/68/554197368.db2.gz GAXRLPUDVAOPTH-CVEARBPZSA-N 1 3 353.532 2.147 20 0 FEADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000509006952 561781076 /nfs/dbraw/zinc/78/10/76/561781076.db2.gz MLCRFZARVLDOMM-UHFFFAOYSA-N 1 3 355.429 2.466 20 0 FEADHO Cn1c2ccc(CNCc3ccc(OCC[NH+](C)C)cc3)cc2oc1=O ZINC000509981913 561820821 /nfs/dbraw/zinc/82/08/21/561820821.db2.gz JOZBCHUPIXXAFL-UHFFFAOYSA-N 1 3 355.438 2.362 20 0 FEADHO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000333279852 554597940 /nfs/dbraw/zinc/59/79/40/554597940.db2.gz MFTMPSYXMPXTSX-KZNAEPCWSA-N 1 3 371.591 2.480 20 0 FEADHO C[C@H](CNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)N1CCC(C)CC1 ZINC000333793993 554643902 /nfs/dbraw/zinc/64/39/02/554643902.db2.gz MWYBGFQNOCDCEM-NEWSRXKRSA-N 1 3 366.550 2.035 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCC3(N4CCSCC4)CCCC3)C[C@@H]21 ZINC000333937192 554658377 /nfs/dbraw/zinc/65/83/77/554658377.db2.gz LICZSSIHAYJROK-YESZJQIVSA-N 1 3 366.575 2.117 20 0 FEADHO CC1(CNC(=O)NCC2(N3CCSCC3)CCCC2)CC[NH2+]CC1 ZINC000333941822 554658893 /nfs/dbraw/zinc/65/88/93/554658893.db2.gz PJXOUKFTDGPWMB-UHFFFAOYSA-N 1 3 354.564 2.037 20 0 FEADHO CC1CC[NH+](CC2CCN(CCCN3C(=O)NC(C)(C)C3=O)CC2)CC1 ZINC000360220968 554867457 /nfs/dbraw/zinc/86/74/57/554867457.db2.gz BVXFGCXOKHVDAO-UHFFFAOYSA-N 1 3 364.534 2.151 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000361035520 554901646 /nfs/dbraw/zinc/90/16/46/554901646.db2.gz NTGRJVWYGRZDDQ-ZCNNSNEGSA-N 1 3 356.514 2.374 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000361035520 554901648 /nfs/dbraw/zinc/90/16/48/554901648.db2.gz NTGRJVWYGRZDDQ-ZCNNSNEGSA-N 1 3 356.514 2.374 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)C1 ZINC000361703044 554930442 /nfs/dbraw/zinc/93/04/42/554930442.db2.gz YZBHQFPYSKXOJW-HCXYKTFWSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)C1 ZINC000361703044 554930443 /nfs/dbraw/zinc/93/04/43/554930443.db2.gz YZBHQFPYSKXOJW-HCXYKTFWSA-N 1 3 350.551 2.480 20 0 FEADHO CCN1CCN(CCC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000362671240 554979695 /nfs/dbraw/zinc/97/96/95/554979695.db2.gz VLNBSDCXHDCZJR-UXHICEINSA-N 1 3 364.578 2.127 20 0 FEADHO CCN1CCN(CCC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000362671240 554979696 /nfs/dbraw/zinc/97/96/96/554979696.db2.gz VLNBSDCXHDCZJR-UXHICEINSA-N 1 3 364.578 2.127 20 0 FEADHO CN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1CCN(c2ccncc2)CC1 ZINC000363192727 555049983 /nfs/dbraw/zinc/04/99/83/555049983.db2.gz MXDZZDGZPPHFRC-MRXNPFEDSA-N 1 3 357.502 2.176 20 0 FEADHO CN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C1CCN(c2ccncc2)CC1 ZINC000363192727 555049988 /nfs/dbraw/zinc/04/99/88/555049988.db2.gz MXDZZDGZPPHFRC-MRXNPFEDSA-N 1 3 357.502 2.176 20 0 FEADHO CCCN1CCN(C2CCN(C(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000363397170 555094684 /nfs/dbraw/zinc/09/46/84/555094684.db2.gz HEJQFJYHDBICHB-CEXWTWQISA-N 1 3 364.578 2.266 20 0 FEADHO CCCN1CCN(C2CCN(C(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000363397170 555094686 /nfs/dbraw/zinc/09/46/86/555094686.db2.gz HEJQFJYHDBICHB-CEXWTWQISA-N 1 3 364.578 2.266 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cccnc2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000363402082 555096176 /nfs/dbraw/zinc/09/61/76/555096176.db2.gz DRAGKLHVRBZWSJ-WOJBJXKFSA-N 1 3 371.529 2.173 20 0 FEADHO C[N@H+](C[C@H](O)COc1ccc(F)cc1)C1CCN(C2CCOCC2)CC1 ZINC000363452557 555109023 /nfs/dbraw/zinc/10/90/23/555109023.db2.gz JDPDAVGVWKPIBY-IBGZPJMESA-N 1 3 366.477 2.141 20 0 FEADHO C[N@@H+](C[C@H](O)COc1ccc(F)cc1)C1CCN(C2CCOCC2)CC1 ZINC000363452557 555109027 /nfs/dbraw/zinc/10/90/27/555109027.db2.gz JDPDAVGVWKPIBY-IBGZPJMESA-N 1 3 366.477 2.141 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000363523140 555127605 /nfs/dbraw/zinc/12/76/05/555127605.db2.gz SOLODSJKRGEOTL-RTBURBONSA-N 1 3 371.529 2.077 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000363523140 555127606 /nfs/dbraw/zinc/12/76/06/555127606.db2.gz SOLODSJKRGEOTL-RTBURBONSA-N 1 3 371.529 2.077 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000363593904 555143769 /nfs/dbraw/zinc/14/37/69/555143769.db2.gz SGIJOTIDLAYRRW-JLYLLQBASA-N 1 3 366.550 2.048 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000363593904 555143771 /nfs/dbraw/zinc/14/37/71/555143771.db2.gz SGIJOTIDLAYRRW-JLYLLQBASA-N 1 3 366.550 2.048 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000363593892 555144014 /nfs/dbraw/zinc/14/40/14/555144014.db2.gz SDAXWULTEGMFCN-ZSYWTGECSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000363593892 555144017 /nfs/dbraw/zinc/14/40/17/555144017.db2.gz SDAXWULTEGMFCN-ZSYWTGECSA-N 1 3 366.550 2.002 20 0 FEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000363822323 555193236 /nfs/dbraw/zinc/19/32/36/555193236.db2.gz KZSIOHJSQKGPDR-UYWIDEMCSA-N 1 3 362.514 2.214 20 0 FEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000363822323 555193239 /nfs/dbraw/zinc/19/32/39/555193239.db2.gz KZSIOHJSQKGPDR-UYWIDEMCSA-N 1 3 362.514 2.214 20 0 FEADHO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000364036187 555237678 /nfs/dbraw/zinc/23/76/78/555237678.db2.gz JASCSQIPIYFKCH-GDBMZVCRSA-N 1 3 362.474 2.283 20 0 FEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000364206588 555269755 /nfs/dbraw/zinc/26/97/55/555269755.db2.gz KRHYGTCVLASHAT-VQTJNVASSA-N 1 3 373.545 2.467 20 0 FEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000364206588 555269756 /nfs/dbraw/zinc/26/97/56/555269756.db2.gz KRHYGTCVLASHAT-VQTJNVASSA-N 1 3 373.545 2.467 20 0 FEADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCCN(CC(C)(C)O)CC2)cc1 ZINC000364616413 555353684 /nfs/dbraw/zinc/35/36/84/555353684.db2.gz SVGGWYSAIZYNOU-UHFFFAOYSA-N 1 3 361.530 2.447 20 0 FEADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000364732968 555388500 /nfs/dbraw/zinc/38/85/00/555388500.db2.gz YYNNFJVVBQNNPS-TWFHAPMSSA-N 1 3 359.514 2.459 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000364782861 555401610 /nfs/dbraw/zinc/40/16/10/555401610.db2.gz JARJVZBOZRHEAC-IFMALSPDSA-N 1 3 371.525 2.186 20 0 FEADHO COCC[NH2+]CC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000364849422 555414919 /nfs/dbraw/zinc/41/49/19/555414919.db2.gz HDPDGGVIIJHGAA-MAUKXSAKSA-N 1 3 353.894 2.075 20 0 FEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000365163389 555498810 /nfs/dbraw/zinc/49/88/10/555498810.db2.gz TXELLCNFWFTXMC-RBUKOAKNSA-N 1 3 367.497 2.154 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513523783 561941544 /nfs/dbraw/zinc/94/15/44/561941544.db2.gz CCXCYPSCLNFQRW-NRFANRHFSA-N 1 3 353.514 2.378 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513525327 561941801 /nfs/dbraw/zinc/94/18/01/561941801.db2.gz KSWAYIOLHLAOOR-RXVVDRJESA-N 1 3 353.514 2.376 20 0 FEADHO CN(c1ccccc1C[NH2+]C[C@H](CO)c1cccnc1)C1CCN(C)CC1 ZINC000367471124 556059060 /nfs/dbraw/zinc/05/90/60/556059060.db2.gz YSWWSMICKACKPS-HXUWFJFHSA-N 1 3 368.525 2.478 20 0 FEADHO O=C(N1CCC[C@H](c2n[nH]cc2CN2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC000367844669 556152938 /nfs/dbraw/zinc/15/29/38/556152938.db2.gz XZZHFBKCHMWCAG-KRWDZBQOSA-N 1 3 371.529 2.340 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CC(c3ccccn3)C2)cc1 ZINC000368014918 556194916 /nfs/dbraw/zinc/19/49/16/556194916.db2.gz HSAWBIYINSRIBN-UHFFFAOYSA-N 1 3 352.482 2.409 20 0 FEADHO CN1CCC(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000368191598 556244095 /nfs/dbraw/zinc/24/40/95/556244095.db2.gz SXXASZJEZZFVMC-RBUKOAKNSA-N 1 3 356.514 2.244 20 0 FEADHO CN1CCC(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000368191598 556244096 /nfs/dbraw/zinc/24/40/96/556244096.db2.gz SXXASZJEZZFVMC-RBUKOAKNSA-N 1 3 356.514 2.244 20 0 FEADHO CN1CCC([NH+]2CCC(CCNCc3cnn(CC(F)F)c3)CC2)CC1 ZINC000368343094 556282763 /nfs/dbraw/zinc/28/27/63/556282763.db2.gz TWNXVNOYWYKOFV-UHFFFAOYSA-N 1 3 369.504 2.434 20 0 FEADHO C[C@@H](O)c1ncc(CNCCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000368580323 556352269 /nfs/dbraw/zinc/35/22/69/556352269.db2.gz VBCOOERJMYJXST-OAHLLOKOSA-N 1 3 366.575 2.482 20 0 FEADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)N3CCOCC3)C2)s1 ZINC000515851290 562023923 /nfs/dbraw/zinc/02/39/23/562023923.db2.gz BOWAGIAVJAZLII-KRWDZBQOSA-N 1 3 365.543 2.059 20 0 FEADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)N3CCOCC3)C2)s1 ZINC000515851290 562023924 /nfs/dbraw/zinc/02/39/24/562023924.db2.gz BOWAGIAVJAZLII-KRWDZBQOSA-N 1 3 365.543 2.059 20 0 FEADHO CN(C)C[C@@H](NC(=O)c1cnn(CC[NH+]2CCCCC2)c1)c1ccccc1 ZINC000369316958 556572994 /nfs/dbraw/zinc/57/29/94/556572994.db2.gz HFFJNZKLGBWQJE-HXUWFJFHSA-N 1 3 369.513 2.402 20 0 FEADHO CC(C)[C@H](C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1)[NH+]1CCCCC1 ZINC000370420919 556867925 /nfs/dbraw/zinc/86/79/25/556867925.db2.gz BPARPOBNSDZMPG-VQTJNVASSA-N 1 3 364.578 2.124 20 0 FEADHO CC(C)[C@H](C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1)[NH+]1CCCCC1 ZINC000370420920 556868180 /nfs/dbraw/zinc/86/81/80/556868180.db2.gz BPARPOBNSDZMPG-WOJBJXKFSA-N 1 3 364.578 2.124 20 0 FEADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000370635069 556926617 /nfs/dbraw/zinc/92/66/17/556926617.db2.gz NWZSKSOQWSIRQB-WMZOPIPTSA-N 1 3 354.502 2.086 20 0 FEADHO C[C@H](C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)[C@H](N)c1ccccc1 ZINC000370772604 556963368 /nfs/dbraw/zinc/96/33/68/556963368.db2.gz LKYKFMKMPBIESE-JVJLKXRTSA-N 1 3 359.514 2.328 20 0 FEADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)[C@H](N)c1ccccc1 ZINC000370772604 556963372 /nfs/dbraw/zinc/96/33/72/556963372.db2.gz LKYKFMKMPBIESE-JVJLKXRTSA-N 1 3 359.514 2.328 20 0 FEADHO C[C@@H]1C[C@@H](CNC(=O)N2CCN3CCC[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000371000651 557041550 /nfs/dbraw/zinc/04/15/50/557041550.db2.gz XFEMMHDPOYNHEJ-HOJAQTOUSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1C[C@@H](CNC(=O)N2CCN3CCC[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000371000651 557041551 /nfs/dbraw/zinc/04/15/51/557041551.db2.gz XFEMMHDPOYNHEJ-HOJAQTOUSA-N 1 3 356.514 2.387 20 0 FEADHO COc1cccc(CC(=O)N2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)c1 ZINC000371108991 557078304 /nfs/dbraw/zinc/07/83/04/557078304.db2.gz TUWGNCOIPMBJCX-PMACEKPBSA-N 1 3 371.525 2.445 20 0 FEADHO COc1cccc(CC(=O)N2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000371108991 557078308 /nfs/dbraw/zinc/07/83/08/557078308.db2.gz TUWGNCOIPMBJCX-PMACEKPBSA-N 1 3 371.525 2.445 20 0 FEADHO COc1cccc(CC(=O)N2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000371108991 557078311 /nfs/dbraw/zinc/07/83/11/557078311.db2.gz TUWGNCOIPMBJCX-PMACEKPBSA-N 1 3 371.525 2.445 20 0 FEADHO CC1CCN([C@@H](CNC(=O)COC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000518175975 562105814 /nfs/dbraw/zinc/10/58/14/562105814.db2.gz OZLWTDDDRMYCID-KRWDZBQOSA-N 1 3 365.543 2.406 20 0 FEADHO CCN(C[C@H]1CCCO1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000518560014 562114273 /nfs/dbraw/zinc/11/42/73/562114273.db2.gz OHSWNJPPPHMUPQ-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCCC[NH2+]C2CCCCC2)CC1 ZINC000518633096 562115879 /nfs/dbraw/zinc/11/58/79/562115879.db2.gz IEWWVHCSSBCNCL-UHFFFAOYSA-N 1 3 368.566 2.487 20 0 FEADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000372055663 557368460 /nfs/dbraw/zinc/36/84/60/557368460.db2.gz FTMAXRPFASNVJU-JKSUJKDBSA-N 1 3 371.572 2.364 20 0 FEADHO CC[N@H+](CCNC(=O)CCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000518987981 562122839 /nfs/dbraw/zinc/12/28/39/562122839.db2.gz MWUJCVYQTNXNIG-UHFFFAOYSA-N 1 3 358.530 2.189 20 0 FEADHO CC[N@@H+](CCNC(=O)CCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000518987981 562122840 /nfs/dbraw/zinc/12/28/40/562122840.db2.gz MWUJCVYQTNXNIG-UHFFFAOYSA-N 1 3 358.530 2.189 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@H]3CCCCO3)CC2)CC1 ZINC000518996728 562122881 /nfs/dbraw/zinc/12/28/81/562122881.db2.gz BUKUWRLBCDXRHM-LJQANCHMSA-N 1 3 351.535 2.258 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000372543561 557498854 /nfs/dbraw/zinc/49/88/54/557498854.db2.gz IEZAONWSTKZIMS-HOJAQTOUSA-N 1 3 373.545 2.352 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000372543561 557498858 /nfs/dbraw/zinc/49/88/58/557498858.db2.gz IEZAONWSTKZIMS-HOJAQTOUSA-N 1 3 373.545 2.352 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)CCCO1 ZINC000372976541 557601306 /nfs/dbraw/zinc/60/13/06/557601306.db2.gz DBIYJAHWJPELGY-MOPGFXCFSA-N 1 3 366.550 2.147 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000373317590 557671090 /nfs/dbraw/zinc/67/10/90/557671090.db2.gz JDNMNQPVCHHKSC-AEFFLSMTSA-N 1 3 368.566 2.248 20 0 FEADHO C[C@H](CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)[N@H+](C)Cc1ccccc1 ZINC000373435073 557692631 /nfs/dbraw/zinc/69/26/31/557692631.db2.gz JVVDQGGOERBMFB-QTQZEZTPSA-N 1 3 359.514 2.156 20 0 FEADHO C[C@H](CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000373435073 557692633 /nfs/dbraw/zinc/69/26/33/557692633.db2.gz JVVDQGGOERBMFB-QTQZEZTPSA-N 1 3 359.514 2.156 20 0 FEADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCc1ccc(OC(F)F)cc1 ZINC000520408474 562155787 /nfs/dbraw/zinc/15/57/87/562155787.db2.gz TVGCGIOYBOHGRF-JKSUJKDBSA-N 1 3 367.440 2.226 20 0 FEADHO CN(C)CC1(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000373988378 557802021 /nfs/dbraw/zinc/80/20/21/557802021.db2.gz AHMLUCRZKRJTQZ-IBGZPJMESA-N 1 3 358.530 2.335 20 0 FEADHO CN(C)CC1(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000373988378 557802024 /nfs/dbraw/zinc/80/20/24/557802024.db2.gz AHMLUCRZKRJTQZ-IBGZPJMESA-N 1 3 358.530 2.335 20 0 FEADHO O=C(CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCOCC1 ZINC000374051937 557814245 /nfs/dbraw/zinc/81/42/45/557814245.db2.gz ASARTOZIHOOFOF-JOCHJYFZSA-N 1 3 371.525 2.223 20 0 FEADHO O=C(CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCOCC1 ZINC000374051937 557814247 /nfs/dbraw/zinc/81/42/47/557814247.db2.gz ASARTOZIHOOFOF-JOCHJYFZSA-N 1 3 371.525 2.223 20 0 FEADHO CC(C)(C)N1CCC([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000374563815 557900278 /nfs/dbraw/zinc/90/02/78/557900278.db2.gz QIAADSDCIBQLQS-UHFFFAOYSA-N 1 3 364.534 2.484 20 0 FEADHO CC(C)(C)[NH+]1CCC(NCCCN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000374563815 557900280 /nfs/dbraw/zinc/90/02/80/557900280.db2.gz QIAADSDCIBQLQS-UHFFFAOYSA-N 1 3 364.534 2.484 20 0 FEADHO Cc1nc2ccc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc2n1C ZINC000375693883 558068854 /nfs/dbraw/zinc/06/88/54/558068854.db2.gz SCFOSUDGPDJTHY-UHFFFAOYSA-N 1 3 369.513 2.170 20 0 FEADHO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+](CCCN3CCCC3)C2)CC1 ZINC000375894367 558095235 /nfs/dbraw/zinc/09/52/35/558095235.db2.gz DRGWHJKNYJHVLM-GOSISDBHSA-N 1 3 366.550 2.099 20 0 FEADHO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@@H+](CCCN3CCCC3)C2)CC1 ZINC000375894367 558095237 /nfs/dbraw/zinc/09/52/37/558095237.db2.gz DRGWHJKNYJHVLM-GOSISDBHSA-N 1 3 366.550 2.099 20 0 FEADHO CC1CC[NH+](CCCNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 ZINC000375973729 558107892 /nfs/dbraw/zinc/10/78/92/558107892.db2.gz KIBHPIDVTPQUFV-PMACEKPBSA-N 1 3 373.545 2.496 20 0 FEADHO C[C@H]1[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)CCN1Cc1ccccc1 ZINC000376761674 558218348 /nfs/dbraw/zinc/21/83/48/558218348.db2.gz VZDJEGNVJHMSDE-HKUYNNGSSA-N 1 3 374.529 2.059 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000377202188 558287119 /nfs/dbraw/zinc/28/71/19/558287119.db2.gz SRMYAOWQCVBLKO-PSHVLCQKSA-N 1 3 367.493 2.488 20 0 FEADHO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522059903 562190565 /nfs/dbraw/zinc/19/05/65/562190565.db2.gz CBCUPFWDOZMATI-PCCBWWKXSA-N 1 3 364.493 2.165 20 0 FEADHO CC[N@H+](CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1)C1CC1 ZINC000522446385 562198691 /nfs/dbraw/zinc/19/86/91/562198691.db2.gz VWGPKESXOARAJW-UHFFFAOYSA-N 1 3 350.482 2.383 20 0 FEADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1)C1CC1 ZINC000522446385 562198692 /nfs/dbraw/zinc/19/86/92/562198692.db2.gz VWGPKESXOARAJW-UHFFFAOYSA-N 1 3 350.482 2.383 20 0 FEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000523356407 562211857 /nfs/dbraw/zinc/21/18/57/562211857.db2.gz KUTBIEMRIJDTOS-NRFANRHFSA-N 1 3 372.557 2.185 20 0 FEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000523356407 562211858 /nfs/dbraw/zinc/21/18/58/562211858.db2.gz KUTBIEMRIJDTOS-NRFANRHFSA-N 1 3 372.557 2.185 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)CC1 ZINC000378529200 558576255 /nfs/dbraw/zinc/57/62/55/558576255.db2.gz MRNQZWSCWACVHL-RTBURBONSA-N 1 3 350.551 2.480 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCN2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000523766650 562219450 /nfs/dbraw/zinc/21/94/50/562219450.db2.gz QSDGAJRTPBQNRP-FHWLQOOXSA-N 1 3 368.566 2.297 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCCN2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000523766650 562219451 /nfs/dbraw/zinc/21/94/51/562219451.db2.gz QSDGAJRTPBQNRP-FHWLQOOXSA-N 1 3 368.566 2.297 20 0 FEADHO c1ccc(CN2CCN(CCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000390912398 558613221 /nfs/dbraw/zinc/61/32/21/558613221.db2.gz QAHZEIROUQXBOJ-VSKRKVRLSA-N 1 3 356.558 2.315 20 0 FEADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(I)cc1 ZINC000397678553 558624683 /nfs/dbraw/zinc/62/46/83/558624683.db2.gz KMBMBASDHGXENZ-LBPRGKRZSA-N 1 3 374.266 2.399 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@]2(CO)Cc2ccccc2)CC1 ZINC000411625383 558931383 /nfs/dbraw/zinc/93/13/83/558931383.db2.gz WAZFVWURNGGELL-QFIPXVFZSA-N 1 3 373.541 2.045 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000411695936 558946224 /nfs/dbraw/zinc/94/62/24/558946224.db2.gz PQPRXNIEXVVPPW-CTNGQTDRSA-N 1 3 358.530 2.010 20 0 FEADHO Cc1ccncc1CN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000525976743 562261882 /nfs/dbraw/zinc/26/18/82/562261882.db2.gz WSBPCMMFKCGORY-UHFFFAOYSA-N 1 3 359.518 2.090 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)N[C@H](CO)CN2CCCCC2)cc1)C1CC1 ZINC000413795998 559130831 /nfs/dbraw/zinc/13/08/31/559130831.db2.gz CIOSCKFMOIVOGH-IBGZPJMESA-N 1 3 359.514 2.248 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H](CO)CN2CCCCC2)cc1)C1CC1 ZINC000413795998 559130832 /nfs/dbraw/zinc/13/08/32/559130832.db2.gz CIOSCKFMOIVOGH-IBGZPJMESA-N 1 3 359.514 2.248 20 0 FEADHO CC(C)CO[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1(C)C ZINC000414188670 559152264 /nfs/dbraw/zinc/15/22/64/559152264.db2.gz JARIWAUQRQFGLN-OALUTQOASA-N 1 3 367.578 2.212 20 0 FEADHO COc1cccc2c1CC[C@H]2[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414193437 559152395 /nfs/dbraw/zinc/15/23/95/559152395.db2.gz MXHWWLUYVQVDCX-LJQANCHMSA-N 1 3 359.514 2.069 20 0 FEADHO C[C@@H](NCCC(C)(C)S(C)(=O)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000414265457 559154583 /nfs/dbraw/zinc/15/45/83/559154583.db2.gz QOSDHLSVTIXASW-OAHLLOKOSA-N 1 3 356.532 2.491 20 0 FEADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414302324 559155677 /nfs/dbraw/zinc/15/56/77/559155677.db2.gz KNXHMIAJTXANQG-GOSISDBHSA-N 1 3 361.530 2.250 20 0 FEADHO CN1CCC(C[NH2+]Cc2cnc(C3CCC3)s2)(N2CCOCC2)CC1 ZINC000414484104 559168099 /nfs/dbraw/zinc/16/80/99/559168099.db2.gz NPXACNZCMBGSFH-UHFFFAOYSA-N 1 3 364.559 2.297 20 0 FEADHO CN1CCC(C[NH2+]Cc2ccc(OC(F)F)cc2)(N2CCOCC2)CC1 ZINC000414487567 559168209 /nfs/dbraw/zinc/16/82/09/559168209.db2.gz SMXMCLYPINWYPW-UHFFFAOYSA-N 1 3 369.456 2.174 20 0 FEADHO C[N@H+](CCCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2)C1CCCCC1 ZINC000414699541 559180825 /nfs/dbraw/zinc/18/08/25/559180825.db2.gz IRAACCUFGJEWEE-UHFFFAOYSA-N 1 3 372.513 2.042 20 0 FEADHO C[N@@H+](CCCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2)C1CCCCC1 ZINC000414699541 559180826 /nfs/dbraw/zinc/18/08/26/559180826.db2.gz IRAACCUFGJEWEE-UHFFFAOYSA-N 1 3 372.513 2.042 20 0 FEADHO CCc1ccccc1NC(=O)CN1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414728852 559182688 /nfs/dbraw/zinc/18/26/88/559182688.db2.gz DDECUPZBDBQYKJ-QZTJIDSGSA-N 1 3 358.530 2.193 20 0 FEADHO CCc1ccccc1NC(=O)CN1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414728851 559182840 /nfs/dbraw/zinc/18/28/40/559182840.db2.gz DDECUPZBDBQYKJ-MSOLQXFVSA-N 1 3 358.530 2.193 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)c1 ZINC000414741877 559184139 /nfs/dbraw/zinc/18/41/39/559184139.db2.gz LEXRJHJUORJDBA-MRXNPFEDSA-N 1 3 374.529 2.361 20 0 FEADHO Clc1ccc(OCc2cccnc2)c(CNCCN2CC[NH2+]CC2)c1 ZINC000414866939 559191843 /nfs/dbraw/zinc/19/18/43/559191843.db2.gz NLNDRFLJSDHWHI-UHFFFAOYSA-N 1 3 360.889 2.309 20 0 FEADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000414878466 559192573 /nfs/dbraw/zinc/19/25/73/559192573.db2.gz NQWXTJRRBJUMHR-KRWDZBQOSA-N 1 3 360.502 2.115 20 0 FEADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CNCCCO1 ZINC000415044000 559202010 /nfs/dbraw/zinc/20/20/10/559202010.db2.gz RVRJNKNHRUFGDY-RHSMWYFYSA-N 1 3 353.894 2.045 20 0 FEADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CNCCCO1 ZINC000415044001 559202153 /nfs/dbraw/zinc/20/21/53/559202153.db2.gz RVRJNKNHRUFGDY-WMLDXEAASA-N 1 3 353.894 2.045 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415064401 559203176 /nfs/dbraw/zinc/20/31/76/559203176.db2.gz CMMROOJWHPHHBA-MJGOQNOKSA-N 1 3 374.554 2.494 20 0 FEADHO COc1ccccc1SC[C@@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415074658 559203898 /nfs/dbraw/zinc/20/38/98/559203898.db2.gz DBMBLVKWCAAGEY-HOTGVXAUSA-N 1 3 365.543 2.210 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)C1 ZINC000415116083 559206082 /nfs/dbraw/zinc/20/60/82/559206082.db2.gz YYDMTUMOYMLPNR-XLIONFOSSA-N 1 3 359.514 2.067 20 0 FEADHO C[C@H](Cc1ccccc1Br)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415125695 559206798 /nfs/dbraw/zinc/20/67/98/559206798.db2.gz SQBQTDMAESYMKY-KGLIPLIRSA-N 1 3 368.319 2.167 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NCCC[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000415503817 559244453 /nfs/dbraw/zinc/24/44/53/559244453.db2.gz SHPODORDMCUAJT-KRWDZBQOSA-N 1 3 359.518 2.482 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000415580360 559252178 /nfs/dbraw/zinc/25/21/78/559252178.db2.gz LWCSMJSJLUERDV-UHOSZYNNSA-N 1 3 372.513 2.053 20 0 FEADHO CN(C)C1(CNC(=O)Nc2ccc(OCC[NH3+])cc2)Cc2ccccc2C1 ZINC000415934816 559283424 /nfs/dbraw/zinc/28/34/24/559283424.db2.gz ILGJAOYXQMNZDW-UHFFFAOYSA-N 1 3 368.481 2.245 20 0 FEADHO [NH3+]CC[C@H](NC(=O)NC1CCN(CCc2ccccc2)CC1)C(F)(F)F ZINC000415993177 559287696 /nfs/dbraw/zinc/28/76/96/559287696.db2.gz IBQDXGBDHXLNDG-INIZCTEOSA-N 1 3 372.435 2.272 20 0 FEADHO C[NH+](C)CCCOc1cnccc1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000416019232 559289431 /nfs/dbraw/zinc/28/94/31/559289431.db2.gz XFBYLNJODNIYRZ-UHFFFAOYSA-N 1 3 369.469 2.337 20 0 FEADHO CN(CCCN(C)C(=O)N[C@H](CC[NH3+])C(F)(F)F)Cc1ccco1 ZINC000416050011 559290783 /nfs/dbraw/zinc/29/07/83/559290783.db2.gz RMJLEHVJAHHCQW-CYBMUJFWSA-N 1 3 350.385 2.023 20 0 FEADHO CN(C)[C@@H](CC(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000416151726 559294678 /nfs/dbraw/zinc/29/46/78/559294678.db2.gz RXNKKCRZEPBFMU-IBGZPJMESA-N 1 3 359.514 2.441 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+])c1ccccc1 ZINC000416848869 559335083 /nfs/dbraw/zinc/33/50/83/559335083.db2.gz XGGSTSVZPKHHQH-CEXWTWQISA-N 1 3 362.518 2.217 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416917627 559338211 /nfs/dbraw/zinc/33/82/11/559338211.db2.gz IBKZQAXHKQQTLK-LPHOPBHVSA-N 1 3 362.518 2.377 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CNCCC1(F)F)Cc1ccccc1 ZINC000417013190 559343783 /nfs/dbraw/zinc/34/37/83/559343783.db2.gz YIUHUWDUFCHBES-IRXDYDNUSA-N 1 3 368.472 2.236 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)C[C@@H]21 ZINC000417017705 559344061 /nfs/dbraw/zinc/34/40/61/559344061.db2.gz HIOHRBJXFQPQCD-HSALFYBXSA-N 1 3 356.514 2.204 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000417019848 559344214 /nfs/dbraw/zinc/34/42/14/559344214.db2.gz RISVTOSMIIIVNB-VAMGGRTRSA-N 1 3 356.514 2.217 20 0 FEADHO CCCN(C(=O)NCC1(N2CCSCC2)CCCC1)[C@H]1CC[NH2+]C1 ZINC000417115966 559348553 /nfs/dbraw/zinc/34/85/53/559348553.db2.gz PMIFWQVONYJXGH-INIZCTEOSA-N 1 3 354.564 2.132 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)NC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000417333475 559358075 /nfs/dbraw/zinc/35/80/75/559358075.db2.gz QBMCERITNFXIFB-LJQANCHMSA-N 1 3 374.529 2.206 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417356954 559359027 /nfs/dbraw/zinc/35/90/27/559359027.db2.gz COCBERHCDIWBEE-BBWFWOEESA-N 1 3 362.543 2.211 20 0 FEADHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417356999 559359034 /nfs/dbraw/zinc/35/90/34/559359034.db2.gz CTPWGTTVCMDHQK-JKSUJKDBSA-N 1 3 350.532 2.354 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417354983 559359067 /nfs/dbraw/zinc/35/90/67/559359067.db2.gz AIXZYTVJPYWMIU-ULQDDVLXSA-N 1 3 362.543 2.211 20 0 FEADHO C[C@@H]1NCCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@H]1C ZINC000417363418 559359285 /nfs/dbraw/zinc/35/92/85/559359285.db2.gz KLGPBOFNHWQOQX-HRCADAONSA-N 1 3 350.532 2.352 20 0 FEADHO [NH3+]CC[C@H](NC(=O)NCC1CCN(Cc2cccs2)CC1)C(F)F ZINC000417390681 559360489 /nfs/dbraw/zinc/36/04/89/559360489.db2.gz ZEOVMVOPZXBDAA-AWEZNQCLSA-N 1 3 360.474 2.242 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000417488508 559364167 /nfs/dbraw/zinc/36/41/67/559364167.db2.gz CXIHBZLJBISZCK-WDSOQIARSA-N 1 3 362.518 2.123 20 0 FEADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417502935 559364980 /nfs/dbraw/zinc/36/49/80/559364980.db2.gz CFLONQLTTKAAPB-LPHOPBHVSA-N 1 3 362.518 2.081 20 0 FEADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417594831 559368618 /nfs/dbraw/zinc/36/86/18/559368618.db2.gz NBPSMDQFBCHZPK-ROUUACIJSA-N 1 3 360.502 2.088 20 0 FEADHO O=C(NCCC[C@H]1CCC[NH2+]1)NCc1ccc(OCCN2CCCC2)cc1 ZINC000417596058 559368711 /nfs/dbraw/zinc/36/87/11/559368711.db2.gz PEDBYJFTDLWLRE-LJQANCHMSA-N 1 3 374.529 2.493 20 0 FEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000417645147 559369973 /nfs/dbraw/zinc/36/99/73/559369973.db2.gz AZPPSKARCUSATP-IBGZPJMESA-N 1 3 356.514 2.436 20 0 FEADHO COc1cc(NC(=O)NCCN2CCCCC2)ccc1OCC[NH+](C)C ZINC000417653603 559370642 /nfs/dbraw/zinc/37/06/42/559370642.db2.gz RCHXBDZDSQSPNK-UHFFFAOYSA-N 1 3 364.490 2.243 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000417831616 559378132 /nfs/dbraw/zinc/37/81/32/559378132.db2.gz HYUJUACJACNFLF-BTHPGYMESA-N 1 3 356.514 2.290 20 0 FEADHO CC1(C)CN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CCN1 ZINC000417974747 559384553 /nfs/dbraw/zinc/38/45/53/559384553.db2.gz DHBDQXDDVYPEAY-UHFFFAOYSA-N 1 3 374.529 2.097 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418012799 559386542 /nfs/dbraw/zinc/38/65/42/559386542.db2.gz MEXIBIMGMQMFJS-LMCOJAPRSA-N 1 3 356.514 2.148 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CCCO1 ZINC000418116141 559390727 /nfs/dbraw/zinc/39/07/27/559390727.db2.gz PXSJEQQPQXAVFK-CEXWTWQISA-N 1 3 366.550 2.051 20 0 FEADHO C[C@@H]1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C[C@@H]1C[NH3+] ZINC000418162669 559392402 /nfs/dbraw/zinc/39/24/02/559392402.db2.gz GMFXTBYJJQCGJX-AEFFLSMTSA-N 1 3 374.529 2.286 20 0 FEADHO C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418173898 559393008 /nfs/dbraw/zinc/39/30/08/559393008.db2.gz TXXIQUYHWYWWLM-QGZVFWFLSA-N 1 3 360.502 2.053 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)N(C)C)cc1 ZINC000418216167 559394162 /nfs/dbraw/zinc/39/41/62/559394162.db2.gz ZFDYSJHKVPWJKB-JKSUJKDBSA-N 1 3 372.460 2.358 20 0 FEADHO CCCN(CCN1CCN(CC)CC1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418284157 559396382 /nfs/dbraw/zinc/39/63/82/559396382.db2.gz MCKILQCZJFZKMX-UHFFFAOYSA-N 1 3 367.582 2.097 20 0 FEADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418380001 559399667 /nfs/dbraw/zinc/39/96/67/559399667.db2.gz KXAIVXYJKUKMHP-HNNXBMFYSA-N 1 3 358.408 2.141 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418415227 559400793 /nfs/dbraw/zinc/40/07/93/559400793.db2.gz SKWSHODYWPUNOS-QAPCUYQASA-N 1 3 350.482 2.416 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000418433281 559401539 /nfs/dbraw/zinc/40/15/39/559401539.db2.gz CVUQULTWRCQPKC-RBUKOAKNSA-N 1 3 361.534 2.451 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418532506 559405093 /nfs/dbraw/zinc/40/50/93/559405093.db2.gz CFFNNCMFIFAWIS-LJQANCHMSA-N 1 3 350.482 2.289 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418538964 559405437 /nfs/dbraw/zinc/40/54/37/559405437.db2.gz LLFFIRIWIQBQOY-LJQANCHMSA-N 1 3 350.482 2.289 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC000418597378 559407413 /nfs/dbraw/zinc/40/74/13/559407413.db2.gz HOXOHBGHWMIZAI-RSPOEFSDSA-N 1 3 356.514 2.290 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000418631380 559408690 /nfs/dbraw/zinc/40/86/90/559408690.db2.gz AXLDWQGDHIWLPE-QZTJIDSGSA-N 1 3 362.518 2.375 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)NCCC[C@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000418750614 559413879 /nfs/dbraw/zinc/41/38/79/559413879.db2.gz OQPJFPZLFXXWTI-ZHALLVOQSA-N 1 3 366.550 2.049 20 0 FEADHO C[N@H+](CCCCN[C@H](C(N)=O)c1cccc(Br)c1)C1CC1 ZINC000419297138 559435787 /nfs/dbraw/zinc/43/57/87/559435787.db2.gz FUYNKOFXCNPCJE-HNNXBMFYSA-N 1 3 354.292 2.440 20 0 FEADHO C[N@@H+](CCCCN[C@H](C(N)=O)c1cccc(Br)c1)C1CC1 ZINC000419297138 559435788 /nfs/dbraw/zinc/43/57/88/559435788.db2.gz FUYNKOFXCNPCJE-HNNXBMFYSA-N 1 3 354.292 2.440 20 0 FEADHO NCc1cn([C@H]2CCC[N@H+](CCCc3nc(-c4cccs4)no3)C2)nn1 ZINC000420381298 559484174 /nfs/dbraw/zinc/48/41/74/559484174.db2.gz OQEJWYXIDAYNSW-AWEZNQCLSA-N 1 3 373.486 2.118 20 0 FEADHO NCc1cn([C@H]2CCC[N@@H+](CCCc3nc(-c4cccs4)no3)C2)nn1 ZINC000420381298 559484175 /nfs/dbraw/zinc/48/41/75/559484175.db2.gz OQEJWYXIDAYNSW-AWEZNQCLSA-N 1 3 373.486 2.118 20 0 FEADHO CN(C[C@H]1CCCN1C)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000420795999 559504979 /nfs/dbraw/zinc/50/49/79/559504979.db2.gz MUROMKCTZTXHFQ-GOSISDBHSA-N 1 3 362.518 2.253 20 0 FEADHO CCCCCNC(=O)[C@@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420978151 559516419 /nfs/dbraw/zinc/51/64/19/559516419.db2.gz IZXKOIPVRSMCJT-GOSISDBHSA-N 1 3 352.567 2.173 20 0 FEADHO CCCCCNC(=O)[C@@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420978151 559516420 /nfs/dbraw/zinc/51/64/20/559516420.db2.gz IZXKOIPVRSMCJT-GOSISDBHSA-N 1 3 352.567 2.173 20 0 FEADHO Cc1ccc(CN2CCCN(C(=O)CN(C)C[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000421001327 559518649 /nfs/dbraw/zinc/51/86/49/559518649.db2.gz LDVSIGBOKWXOFD-NRFANRHFSA-N 1 3 372.557 2.055 20 0 FEADHO Cc1ccc(CN2CCCN(C(=O)CN(C)C[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000421001327 559518650 /nfs/dbraw/zinc/51/86/50/559518650.db2.gz LDVSIGBOKWXOFD-NRFANRHFSA-N 1 3 372.557 2.055 20 0 FEADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000422163356 559568916 /nfs/dbraw/zinc/56/89/16/559568916.db2.gz FONCHUCFRFGKTK-MRXNPFEDSA-N 1 3 354.564 2.084 20 0 FEADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000422163356 559568917 /nfs/dbraw/zinc/56/89/17/559568917.db2.gz FONCHUCFRFGKTK-MRXNPFEDSA-N 1 3 354.564 2.084 20 0 FEADHO CN(C[C@@H]1CCCN1C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000422606518 559597389 /nfs/dbraw/zinc/59/73/89/559597389.db2.gz JCDAMAYLGKDYRF-DAYGRLMNSA-N 1 3 366.456 2.146 20 0 FEADHO COc1ccc(Br)c(C(=O)NCCCN[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422907519 559610713 /nfs/dbraw/zinc/61/07/13/559610713.db2.gz LLSUPHRKUPDAOG-GJZGRUSLSA-N 1 3 370.291 2.047 20 0 FEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000422707574 559603746 /nfs/dbraw/zinc/60/37/46/559603746.db2.gz HQEANGNBNXUFLT-XXBNENTESA-N 1 3 366.553 2.482 20 0 FEADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000422707574 559603747 /nfs/dbraw/zinc/60/37/47/559603747.db2.gz HQEANGNBNXUFLT-XXBNENTESA-N 1 3 366.553 2.482 20 0 FEADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)CC2)cc1 ZINC000422786538 559606571 /nfs/dbraw/zinc/60/65/71/559606571.db2.gz SLEDDEFFCIBSIH-YADHBBJMSA-N 1 3 373.541 2.264 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422786309 559606691 /nfs/dbraw/zinc/60/66/91/559606691.db2.gz KTRZQDSAFSDBJD-HOCLYGCPSA-N 1 3 371.572 2.182 20 0 FEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422786309 559606692 /nfs/dbraw/zinc/60/66/92/559606692.db2.gz KTRZQDSAFSDBJD-HOCLYGCPSA-N 1 3 371.572 2.182 20 0 FEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCN1CCN(c2ccc(F)cc2)CC1 ZINC000422809314 559607282 /nfs/dbraw/zinc/60/72/82/559607282.db2.gz LYSKRAKNBIOFEL-INIZCTEOSA-N 1 3 371.504 2.461 20 0 FEADHO COc1cc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000422835341 559607934 /nfs/dbraw/zinc/60/79/34/559607934.db2.gz YNIIWBQMTGGUSH-MRVWCRGKSA-N 1 3 362.392 2.478 20 0 FEADHO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000422889649 559609999 /nfs/dbraw/zinc/60/99/99/559609999.db2.gz QAUZKFWRNNOIOJ-LWASTNQWSA-N 1 3 359.514 2.026 20 0 FEADHO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000422904739 559610512 /nfs/dbraw/zinc/61/05/12/559610512.db2.gz QNEDNJFEXIVRCP-MSOLQXFVSA-N 1 3 353.532 2.465 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422909888 559610944 /nfs/dbraw/zinc/61/09/44/559610944.db2.gz PFQIRRRAFYRVFK-QMYADUOMSA-N 1 3 353.457 2.271 20 0 FEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422909888 559610945 /nfs/dbraw/zinc/61/09/45/559610945.db2.gz PFQIRRRAFYRVFK-QMYADUOMSA-N 1 3 353.457 2.271 20 0 FEADHO CN(C)CCNC(=O)c1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422913073 559611227 /nfs/dbraw/zinc/61/12/27/559611227.db2.gz XQOVADNZQWIHLJ-PCCBWWKXSA-N 1 3 372.557 2.378 20 0 FEADHO COC[C@@H](CCC[NH3+])NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000422929298 559611703 /nfs/dbraw/zinc/61/17/03/559611703.db2.gz PDMZJVCUOLNATA-CYBMUJFWSA-N 1 3 368.279 2.078 20 0 FEADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423023783 559615510 /nfs/dbraw/zinc/61/55/10/559615510.db2.gz IARUQTFSHNRAGN-ACRUOGEOSA-N 1 3 366.509 2.010 20 0 FEADHO Cc1cc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1I ZINC000423092362 559618545 /nfs/dbraw/zinc/61/85/45/559618545.db2.gz BNOPTSQDJZIEHZ-CORIIIEPSA-N 1 3 374.266 2.442 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@H](C)C[C@@H](C)[NH3+] ZINC000423165661 559621690 /nfs/dbraw/zinc/62/16/90/559621690.db2.gz UQHHDGZDVQNSRA-UPJWGTAASA-N 1 3 359.308 2.324 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)C[C@@H](C)N ZINC000423165661 559621691 /nfs/dbraw/zinc/62/16/91/559621691.db2.gz UQHHDGZDVQNSRA-UPJWGTAASA-N 1 3 359.308 2.324 20 0 FEADHO Brc1ccc2c(c1)[C@H](NCCN1CC[NH2+]CC1)CCS2 ZINC000423209072 559622785 /nfs/dbraw/zinc/62/27/85/559622785.db2.gz UOCCDZWJZSLYME-CQSZACIVSA-N 1 3 356.333 2.481 20 0 FEADHO C[C@H]([NH2+][C@H](CN)C1CCCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423262025 559624129 /nfs/dbraw/zinc/62/41/29/559624129.db2.gz LLRIMCXRDSSBME-KBXCAEBGSA-N 1 3 353.532 2.495 20 0 FEADHO CC1CCN([C@@H](CNC(=O)COC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000423365664 559626889 /nfs/dbraw/zinc/62/68/89/559626889.db2.gz ZYPNDZFYZYVSHI-FQEVSTJZSA-N 1 3 359.514 2.344 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)[C@@H]3NCCCC3(C)C)CCCC2)CC1 ZINC000423391633 559627642 /nfs/dbraw/zinc/62/76/42/559627642.db2.gz NUUYWYPEFDBTNQ-KRWDZBQOSA-N 1 3 351.535 2.304 20 0 FEADHO Cn1ccnc1[C@@H](NC1CCC([NH+]2CCNCC2)CC1)c1cccc(F)c1 ZINC000423518874 559630814 /nfs/dbraw/zinc/63/08/14/559630814.db2.gz PJKAFJOGAAYIQK-MHJFOBGBSA-N 1 3 371.504 2.455 20 0 FEADHO Cn1ccnc1[C@@H](NC1CCC(N2CC[NH2+]CC2)CC1)c1cccc(F)c1 ZINC000423518874 559630815 /nfs/dbraw/zinc/63/08/15/559630815.db2.gz PJKAFJOGAAYIQK-MHJFOBGBSA-N 1 3 371.504 2.455 20 0 FEADHO CN(C)C[C@@H](NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccc(Cl)cc1 ZINC000423782281 559639223 /nfs/dbraw/zinc/63/92/23/559639223.db2.gz YUDSXCIVZMKPKG-CXAGYDPISA-N 1 3 361.877 2.173 20 0 FEADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000423904968 559644710 /nfs/dbraw/zinc/64/47/10/559644710.db2.gz YJNWSYXYVVDHJJ-RBUKOAKNSA-N 1 3 357.498 2.338 20 0 FEADHO C[C@@H]1CN(C(=O)CCCN2CCN(c3ccccc3)CC2)C[C@@]1(C)C[NH3+] ZINC000423976695 559648684 /nfs/dbraw/zinc/64/86/84/559648684.db2.gz RLCQRCCQDKUAIB-WIYYLYMNSA-N 1 3 358.530 2.032 20 0 FEADHO CCN1CCN(Cc2ccc(C[NH2+]C3CC(CC(=O)OC)C3)cc2)CC1 ZINC000424260883 559659706 /nfs/dbraw/zinc/65/97/06/559659706.db2.gz DSUGNMBHCXKMAR-UHFFFAOYSA-N 1 3 359.514 2.255 20 0 FEADHO Cc1cc(CN)cc(NC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000424441224 559665009 /nfs/dbraw/zinc/66/50/09/559665009.db2.gz WKUVGRYTYVTLTI-HDICACEKSA-N 1 3 373.545 2.476 20 0 FEADHO Cc1cc(CN)cc(NC(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000424441224 559665010 /nfs/dbraw/zinc/66/50/10/559665010.db2.gz WKUVGRYTYVTLTI-HDICACEKSA-N 1 3 373.545 2.476 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000424444628 559665360 /nfs/dbraw/zinc/66/53/60/559665360.db2.gz DBBXWXIIKIZRQB-NVXWUHKLSA-N 1 3 372.513 2.161 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000424444628 559665361 /nfs/dbraw/zinc/66/53/61/559665361.db2.gz DBBXWXIIKIZRQB-NVXWUHKLSA-N 1 3 372.513 2.161 20 0 FEADHO C[C@@]1(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCC[NH2+]C1 ZINC000424482836 559667057 /nfs/dbraw/zinc/66/70/57/559667057.db2.gz VJHCTMUJCSAYFI-QKNQBKEWSA-N 1 3 356.514 2.292 20 0 FEADHO CN1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3C(F)(F)F)[C@@H]2C1 ZINC000425062002 559685880 /nfs/dbraw/zinc/68/58/80/559685880.db2.gz CGQFJWSDBRGVBV-GBJTYRQASA-N 1 3 361.452 2.448 20 0 FEADHO CN1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3C(F)(F)F)[C@@H]2C1 ZINC000425062002 559685881 /nfs/dbraw/zinc/68/58/81/559685881.db2.gz CGQFJWSDBRGVBV-GBJTYRQASA-N 1 3 361.452 2.448 20 0 FEADHO COCC[N@H+](C)CCCC1CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425422463 559701411 /nfs/dbraw/zinc/70/14/11/559701411.db2.gz PBXRTIYIQFFLSI-SFHVURJKSA-N 1 3 353.551 2.456 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425422463 559701412 /nfs/dbraw/zinc/70/14/12/559701412.db2.gz PBXRTIYIQFFLSI-SFHVURJKSA-N 1 3 353.551 2.456 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000425817080 559721008 /nfs/dbraw/zinc/72/10/08/559721008.db2.gz VTVBDBWKWHUFEZ-PKOBYXMFSA-N 1 3 372.513 2.020 20 0 FEADHO COc1ccc(CC[C@@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1O ZINC000426159887 559730867 /nfs/dbraw/zinc/73/08/67/559730867.db2.gz IWUUKTOIYSUPST-AEFFLSMTSA-N 1 3 350.503 2.404 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)C[C@@H]3CCC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000427299302 559752650 /nfs/dbraw/zinc/75/26/50/559752650.db2.gz LNWCVCCSENWSRZ-KZNAEPCWSA-N 1 3 351.535 2.114 20 0 FEADHO C[NH+](C)CC1(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CCCCC1 ZINC000427456374 559755889 /nfs/dbraw/zinc/75/58/89/559755889.db2.gz GUSQOKXYCJNHEJ-HXUWFJFHSA-N 1 3 373.541 2.382 20 0 FEADHO CCO[C@H]1C[C@@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)C1(CC)CC ZINC000429332616 559796323 /nfs/dbraw/zinc/79/63/23/559796323.db2.gz HRACXKYUUSJHOF-MSOLQXFVSA-N 1 3 351.535 2.303 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000430595131 559824168 /nfs/dbraw/zinc/82/41/68/559824168.db2.gz HDKCQNBMOKMUGQ-TZIWHRDSSA-N 1 3 372.557 2.089 20 0 FEADHO COc1cc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H](C)N)cc(OC)c1OC ZINC000430633053 559825297 /nfs/dbraw/zinc/82/52/97/559825297.db2.gz OXWCMINREKHRIQ-DZGCQCFKSA-N 1 3 365.474 2.243 20 0 FEADHO COc1cc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H](C)N)cc(OC)c1OC ZINC000430633053 559825298 /nfs/dbraw/zinc/82/52/98/559825298.db2.gz OXWCMINREKHRIQ-DZGCQCFKSA-N 1 3 365.474 2.243 20 0 FEADHO COCC[C@]1(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CC[NH2+]C1 ZINC000430731614 559827321 /nfs/dbraw/zinc/82/73/21/559827321.db2.gz XEBVOECRFLPBOC-LAUBAEHRSA-N 1 3 359.514 2.344 20 0 FEADHO COCC[C@@]1(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC[NH2+]C1 ZINC000431057417 559833175 /nfs/dbraw/zinc/83/31/75/559833175.db2.gz NZGPADHJDZZWGA-APWZRJJASA-N 1 3 365.543 2.093 20 0 FEADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431853643 559847296 /nfs/dbraw/zinc/84/72/96/559847296.db2.gz JRTIHOBGCJZXEZ-UYAOXDASSA-N 1 3 360.546 2.069 20 0 FEADHO CC(C)[NH+](CCN(C)C(=O)NCCCN1CCCO[C@@H](C)C1)C(C)C ZINC000433455706 559881923 /nfs/dbraw/zinc/88/19/23/559881923.db2.gz SPDRQGFXGDWURI-SFHVURJKSA-N 1 3 356.555 2.248 20 0 FEADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@@H]3CSCCN3)cc2)C1 ZINC000434888518 559911702 /nfs/dbraw/zinc/91/17/02/559911702.db2.gz TWIHUGFJCAIBNG-DOTOQJQBSA-N 1 3 363.527 2.441 20 0 FEADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H]3CSCCN3)cc2)C1 ZINC000434888518 559911703 /nfs/dbraw/zinc/91/17/03/559911703.db2.gz TWIHUGFJCAIBNG-DOTOQJQBSA-N 1 3 363.527 2.441 20 0 FEADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436290614 559939357 /nfs/dbraw/zinc/93/93/57/559939357.db2.gz ZOSGLSYPXLSPEA-WIYYLYMNSA-N 1 3 357.498 2.167 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC3([NH+](C)C)CCC3)CC2)c1 ZINC000438524391 559980137 /nfs/dbraw/zinc/98/01/37/559980137.db2.gz QRNBNOQLLJGVFY-UHFFFAOYSA-N 1 3 358.530 2.108 20 0 FEADHO C[NH+](C)[C@H](CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)Cc1ccccc1 ZINC000438883771 559985093 /nfs/dbraw/zinc/98/50/93/559985093.db2.gz ODSFKTARWFDZBN-ICSRJNTNSA-N 1 3 364.493 2.327 20 0 FEADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000442766642 560056654 /nfs/dbraw/zinc/05/66/54/560056654.db2.gz LDNSYLMAYXGVOF-YOEHRIQHSA-N 1 3 355.486 2.487 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCc3ccc4c(c3)C[NH2+]C4)cc2)CC1 ZINC000444258223 560107055 /nfs/dbraw/zinc/10/70/55/560107055.db2.gz SAGCHKBOEDXZGY-UHFFFAOYSA-N 1 3 364.493 2.362 20 0 FEADHO CC[C@](C)(O)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000444594216 560116270 /nfs/dbraw/zinc/11/62/70/560116270.db2.gz HHFHVNACWAPROK-NRFANRHFSA-N 1 3 361.530 2.108 20 0 FEADHO CN1CCN(C(=O)CCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449126901 560217168 /nfs/dbraw/zinc/21/71/68/560217168.db2.gz NPUQUPHLRAPKDA-UHFFFAOYSA-N 1 3 366.594 2.419 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000451475425 560309326 /nfs/dbraw/zinc/30/93/26/560309326.db2.gz CJLRUJGLLKECPV-CUDHKJQZSA-N 1 3 359.514 2.199 20 0 FEADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(C[C@H](O)CCC(C)C)C2)CC1 ZINC000451524624 560311756 /nfs/dbraw/zinc/31/17/56/560311756.db2.gz CYSJXXULWWGGCO-VQTJNVASSA-N 1 3 353.551 2.050 20 0 FEADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(C[C@H](O)CCC(C)C)C2)CC1 ZINC000451524624 560311757 /nfs/dbraw/zinc/31/17/57/560311757.db2.gz CYSJXXULWWGGCO-VQTJNVASSA-N 1 3 353.551 2.050 20 0 FEADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(C[C@H](O)CC3CCCC3)C2)CC1 ZINC000451532422 560312566 /nfs/dbraw/zinc/31/25/66/560312566.db2.gz TUQADQKWWUDQPM-NHCUHLMSSA-N 1 3 365.562 2.194 20 0 FEADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(C[C@H](O)CC3CCCC3)C2)CC1 ZINC000451532422 560312567 /nfs/dbraw/zinc/31/25/67/560312567.db2.gz TUQADQKWWUDQPM-NHCUHLMSSA-N 1 3 365.562 2.194 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCCCN2CCO)cc1)C(C)C ZINC000452385137 560362423 /nfs/dbraw/zinc/36/24/23/560362423.db2.gz CSPVJMHUGRNJPR-HXUWFJFHSA-N 1 3 361.530 2.494 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCCCN2CCO)cc1)C(C)C ZINC000452385137 560362424 /nfs/dbraw/zinc/36/24/24/560362424.db2.gz CSPVJMHUGRNJPR-HXUWFJFHSA-N 1 3 361.530 2.494 20 0 FEADHO CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453739244 560400620 /nfs/dbraw/zinc/40/06/20/560400620.db2.gz HUXFMPTWSUGZTA-HKUYNNGSSA-N 1 3 372.513 2.165 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000454484506 560446380 /nfs/dbraw/zinc/44/63/80/560446380.db2.gz HAVQCPVWKMIOTE-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000454484506 560446381 /nfs/dbraw/zinc/44/63/81/560446381.db2.gz HAVQCPVWKMIOTE-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO CN1CC[C@H]2CN(C(=O)NC[C@H](C3CC3)[N@H+](C)Cc3ccccc3)C[C@H]21 ZINC000454825672 560459758 /nfs/dbraw/zinc/45/97/58/560459758.db2.gz TYWUEIKCTSYEQO-XUVXKRRUSA-N 1 3 356.514 2.243 20 0 FEADHO CN1CC[C@H]2CN(C(=O)NC[C@H](C3CC3)[N@@H+](C)Cc3ccccc3)C[C@H]21 ZINC000454825672 560459759 /nfs/dbraw/zinc/45/97/59/560459759.db2.gz TYWUEIKCTSYEQO-XUVXKRRUSA-N 1 3 356.514 2.243 20 0 FEADHO CO[C@H]1C[C@@H](CN(C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)N(C)C1 ZINC000455835315 560496881 /nfs/dbraw/zinc/49/68/81/560496881.db2.gz AEXMQQQYTSDADH-JENIJYKNSA-N 1 3 360.502 2.418 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)N2CCCC2)c1 ZINC000457475697 560569245 /nfs/dbraw/zinc/56/92/45/560569245.db2.gz FCXBVRIJWUUIFM-GOSISDBHSA-N 1 3 362.518 2.472 20 0 FEADHO O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)C1C[NH+](C2CCCCC2)C1 ZINC000457826702 560589437 /nfs/dbraw/zinc/58/94/37/560589437.db2.gz MLKJISBXMMZJNK-HXUWFJFHSA-N 1 3 357.498 2.456 20 0 FEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000457956134 560596292 /nfs/dbraw/zinc/59/62/92/560596292.db2.gz OWRJBXUWAPLRDF-AJYBTWMASA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000457956134 560596293 /nfs/dbraw/zinc/59/62/93/560596293.db2.gz OWRJBXUWAPLRDF-AJYBTWMASA-N 1 3 350.551 2.480 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000458386107 560619299 /nfs/dbraw/zinc/61/92/99/560619299.db2.gz VVWIXCQREROZTA-MHYDHLEJSA-N 1 3 366.550 2.144 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000458386107 560619301 /nfs/dbraw/zinc/61/93/01/560619301.db2.gz VVWIXCQREROZTA-MHYDHLEJSA-N 1 3 366.550 2.144 20 0 FEADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000458425773 560622282 /nfs/dbraw/zinc/62/22/82/560622282.db2.gz VVGJUNLVJQGYHV-KRWDZBQOSA-N 1 3 369.598 2.068 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NCCCCC[NH+]2CCCC2)CCCO1 ZINC000458713787 560643100 /nfs/dbraw/zinc/64/31/00/560643100.db2.gz IEKDJADHPJDMDG-SFHVURJKSA-N 1 3 354.539 2.053 20 0 FEADHO c1ccc2c(c1)[nH+]ccc2N1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000459479017 560688789 /nfs/dbraw/zinc/68/87/89/560688789.db2.gz IYTURCKKQACOEK-HDICACEKSA-N 1 3 352.482 2.220 20 0 FEADHO C[C@H]([NH2+]C1(CNC(=O)NC[C@@]2(O)CCN(C)C2)CCCC1)c1ccccc1 ZINC000460272037 560740073 /nfs/dbraw/zinc/74/00/73/560740073.db2.gz UDCTXQKPGWZIKT-UWJYYQICSA-N 1 3 374.529 2.016 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000461979635 560790656 /nfs/dbraw/zinc/79/06/56/560790656.db2.gz AHIDIZAQCLCZFY-UXHICEINSA-N 1 3 372.557 2.435 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000461979635 560790657 /nfs/dbraw/zinc/79/06/57/560790657.db2.gz AHIDIZAQCLCZFY-UXHICEINSA-N 1 3 372.557 2.435 20 0 FEADHO CC(C)[C@@H](C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000464783616 560850802 /nfs/dbraw/zinc/85/08/02/560850802.db2.gz NAJCDNUSBUJJLD-PMACEKPBSA-N 1 3 360.546 2.068 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000465216199 560860517 /nfs/dbraw/zinc/86/05/17/560860517.db2.gz ITBSPDKWVZOJJG-UXHICEINSA-N 1 3 360.546 2.436 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000465216199 560860518 /nfs/dbraw/zinc/86/05/18/560860518.db2.gz ITBSPDKWVZOJJG-UXHICEINSA-N 1 3 360.546 2.436 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000465905908 560875750 /nfs/dbraw/zinc/87/57/50/560875750.db2.gz ZLUIXGMKYBCQKQ-INIZCTEOSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000466033631 560878624 /nfs/dbraw/zinc/87/86/24/560878624.db2.gz CTPSEBQTQBYZHN-CRAIPNDOSA-N 1 3 350.482 2.382 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000466033631 560878625 /nfs/dbraw/zinc/87/86/25/560878625.db2.gz CTPSEBQTQBYZHN-CRAIPNDOSA-N 1 3 350.482 2.382 20 0 FEADHO CN1CCC[C@@H](CNC(=O)NCCNc2cc[nH+]cc2)[C@H]1c1cccs1 ZINC000466076568 560879640 /nfs/dbraw/zinc/87/96/40/560879640.db2.gz JUEJYJMWAKXZGI-YJBOKZPZSA-N 1 3 373.526 2.359 20 0 FEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000467694012 560915054 /nfs/dbraw/zinc/91/50/54/560915054.db2.gz MZUQGYGHHSUYHO-BPIHKTFHSA-N 1 3 369.509 2.143 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)c1 ZINC000467810366 560917905 /nfs/dbraw/zinc/91/79/05/560917905.db2.gz DIOSDBCITQXRRF-WIYYLYMNSA-N 1 3 370.541 2.106 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)CC2)c1 ZINC000467810366 560917906 /nfs/dbraw/zinc/91/79/06/560917906.db2.gz DIOSDBCITQXRRF-WIYYLYMNSA-N 1 3 370.541 2.106 20 0 FEADHO [NH3+]CCCOC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000469853766 560966688 /nfs/dbraw/zinc/96/66/88/560966688.db2.gz UHIKYSSPKCPXLU-UHFFFAOYSA-N 1 3 358.442 2.135 20 0 FEADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000469913182 560968941 /nfs/dbraw/zinc/96/89/41/560968941.db2.gz ARUZKAUOLLDNCP-FQEVSTJZSA-N 1 3 359.514 2.465 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000469982352 560970574 /nfs/dbraw/zinc/97/05/74/560970574.db2.gz MTDKJBPSBHDPDD-HXUWFJFHSA-N 1 3 356.514 2.137 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000469982352 560970575 /nfs/dbraw/zinc/97/05/75/560970575.db2.gz MTDKJBPSBHDPDD-HXUWFJFHSA-N 1 3 356.514 2.137 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1)C1CC1 ZINC000472100183 561018201 /nfs/dbraw/zinc/01/82/01/561018201.db2.gz OVZWZAATYCKTRE-GOSISDBHSA-N 1 3 372.557 2.427 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1)C1CC1 ZINC000472100183 561018202 /nfs/dbraw/zinc/01/82/02/561018202.db2.gz OVZWZAATYCKTRE-GOSISDBHSA-N 1 3 372.557 2.427 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000472675461 561032688 /nfs/dbraw/zinc/03/26/88/561032688.db2.gz BOZMZQBIQOCBJD-UHFFFAOYSA-N 1 3 365.543 2.387 20 0 FEADHO Cc1ccc(CCC[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)cn1 ZINC000474889998 561084998 /nfs/dbraw/zinc/08/49/98/561084998.db2.gz YTAYSXKVGQMRSN-UHFFFAOYSA-N 1 3 354.498 2.404 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1nn(C)c2ccccc21 ZINC000528333633 562323040 /nfs/dbraw/zinc/32/30/40/562323040.db2.gz BLMPRXYUNJXSIU-INIZCTEOSA-N 1 3 357.502 2.061 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1nn(C)c2ccccc21 ZINC000528333633 562323041 /nfs/dbraw/zinc/32/30/41/562323041.db2.gz BLMPRXYUNJXSIU-INIZCTEOSA-N 1 3 357.502 2.061 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530027799 562394976 /nfs/dbraw/zinc/39/49/76/562394976.db2.gz IPXVZLQYLTVSAG-OAQYLSRUSA-N 1 3 370.541 2.332 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000530027799 562394977 /nfs/dbraw/zinc/39/49/77/562394977.db2.gz IPXVZLQYLTVSAG-OAQYLSRUSA-N 1 3 370.541 2.332 20 0 FEADHO COc1ccc2c(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1 ZINC000530242947 562403933 /nfs/dbraw/zinc/40/39/33/562403933.db2.gz VWISYTVIDRVIIZ-GOSISDBHSA-N 1 3 372.465 2.392 20 0 FEADHO C[C@@H](N[C@H]1CCSC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000530471833 562412544 /nfs/dbraw/zinc/41/25/44/562412544.db2.gz ZTIZXNGFEIWYMN-ZBFHGGJFSA-N 1 3 371.572 2.073 20 0 FEADHO C[C@H]1CCN(CCNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000530567694 562416095 /nfs/dbraw/zinc/41/60/95/562416095.db2.gz UXCKYQJBNYDTOV-KRWDZBQOSA-N 1 3 372.513 2.069 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc(Oc2ccccc2)c1 ZINC000530642044 562418812 /nfs/dbraw/zinc/41/88/12/562418812.db2.gz JDOWMHJHAGOBRZ-UHFFFAOYSA-N 1 3 356.470 2.439 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531043538 562432709 /nfs/dbraw/zinc/43/27/09/562432709.db2.gz OCCBJNVRJIEOMW-WIYYLYMNSA-N 1 3 359.514 2.004 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531043538 562432710 /nfs/dbraw/zinc/43/27/10/562432710.db2.gz OCCBJNVRJIEOMW-WIYYLYMNSA-N 1 3 359.514 2.004 20 0 FEADHO O=C(c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1)N1CCOCC1 ZINC000532208979 562470703 /nfs/dbraw/zinc/47/07/03/562470703.db2.gz JKEYIJXZNJQFAZ-UHFFFAOYSA-N 1 3 357.498 2.123 20 0 FEADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(O)CCN(C)CC2)c(Cl)c1 ZINC000532521067 562480172 /nfs/dbraw/zinc/48/01/72/562480172.db2.gz WBSSANJMQRLNJM-AWEZNQCLSA-N 1 3 353.894 2.412 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000532697603 562485975 /nfs/dbraw/zinc/48/59/75/562485975.db2.gz TYRNHXXZWNDUDB-DLBZAZTESA-N 1 3 359.518 2.343 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000532697603 562485976 /nfs/dbraw/zinc/48/59/76/562485976.db2.gz TYRNHXXZWNDUDB-DLBZAZTESA-N 1 3 359.518 2.343 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000533027651 562496112 /nfs/dbraw/zinc/49/61/12/562496112.db2.gz OOWHFRIAJYLDGN-QAPCUYQASA-N 1 3 357.502 2.143 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000533027651 562496113 /nfs/dbraw/zinc/49/61/13/562496113.db2.gz OOWHFRIAJYLDGN-QAPCUYQASA-N 1 3 357.502 2.143 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000533027651 562496114 /nfs/dbraw/zinc/49/61/14/562496114.db2.gz OOWHFRIAJYLDGN-QAPCUYQASA-N 1 3 357.502 2.143 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc4c(c3)COC4)CC2)CC1 ZINC000533205555 562501530 /nfs/dbraw/zinc/50/15/30/562501530.db2.gz WBRHHCBNEFWOOD-UHFFFAOYSA-N 1 3 372.513 2.075 20 0 FEADHO C[C@@H](C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)N1[C@H](C)CC[C@@H]1C ZINC000533453043 562509355 /nfs/dbraw/zinc/50/93/55/562509355.db2.gz ANMRDLXIYIFTCN-DFGXFYAUSA-N 1 3 359.518 2.422 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1N(C)C ZINC000535539770 562560651 /nfs/dbraw/zinc/56/06/51/562560651.db2.gz WSUNGRVEOSNJGZ-IPMKNSEASA-N 1 3 361.555 2.403 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1N(C)C ZINC000535539770 562560652 /nfs/dbraw/zinc/56/06/52/562560652.db2.gz WSUNGRVEOSNJGZ-IPMKNSEASA-N 1 3 361.555 2.403 20 0 FEADHO CCC(CC)[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000540922369 562596923 /nfs/dbraw/zinc/59/69/23/562596923.db2.gz WSZWIXFIYIDVJA-MSOLQXFVSA-N 1 3 356.555 2.105 20 0 FEADHO COc1cccc(C[C@@H](C)[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)n1 ZINC000541208575 562605888 /nfs/dbraw/zinc/60/58/88/562605888.db2.gz JNOICDSZFCDWOP-MRXNPFEDSA-N 1 3 370.497 2.102 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(=O)OC)n2C)[C@@H](C)C1 ZINC000602007417 567906531 /nfs/dbraw/zinc/90/65/31/567906531.db2.gz PCEINMFJDAHANK-RDJZCZTQSA-N 1 3 351.491 2.038 20 0 FEADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000652640765 567974474 /nfs/dbraw/zinc/97/44/74/567974474.db2.gz KVKBELSWIZGWPU-UHFFFAOYSA-N 1 3 368.481 2.031 20 0 FEADHO CC[C@]1(C)CC(=O)N(C[NH+]2CCC(CCCN3CCOCC3)CC2)C1 ZINC000808176355 674445661 /nfs/dbraw/zinc/44/56/61/674445661.db2.gz FRPBIGDYCSTJKC-HXUWFJFHSA-N 1 3 351.535 2.417 20 0 FEADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@@H](O)CN2CCC(C)CC2)c1 ZINC000566234268 675196821 /nfs/dbraw/zinc/19/68/21/675196821.db2.gz KMBCUCXVBLTVNQ-IAGOWNOFSA-N 1 3 370.921 2.071 20 0 FEADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000559753736 674554825 /nfs/dbraw/zinc/55/48/25/674554825.db2.gz REOBYBKVTYVGQQ-HNAYVOBHSA-N 1 3 365.543 2.421 20 0 FEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCC1CC[NH2+]CC1 ZINC000572586410 671019962 /nfs/dbraw/zinc/01/99/62/671019962.db2.gz QQUXQWPNTHREOL-UHFFFAOYSA-N 1 3 352.910 2.413 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCCOC(C)C)CC2)CC1 ZINC000578336520 671658138 /nfs/dbraw/zinc/65/81/38/671658138.db2.gz IURRLKMVJDJUAN-UHFFFAOYSA-N 1 3 353.551 2.456 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@](C)(OC)C3)CC2)CC1 ZINC000578667516 671681569 /nfs/dbraw/zinc/68/15/69/671681569.db2.gz UDLWYSWZERSKEU-HXUWFJFHSA-N 1 3 351.535 2.210 20 0 FEADHO COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000582900683 672044984 /nfs/dbraw/zinc/04/49/84/672044984.db2.gz RPHDVMVWZWCMCU-IPMKNSEASA-N 1 3 350.503 2.078 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC[C@H]3CCCO3)CC2)CC1 ZINC000582973774 672051524 /nfs/dbraw/zinc/05/15/24/672051524.db2.gz IZOISCKQEUAPMO-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(OC)CCCC3)CC2)CC1 ZINC000583331480 672085113 /nfs/dbraw/zinc/08/51/13/672085113.db2.gz FJWVYDQWDIKUFH-UHFFFAOYSA-N 1 3 351.535 2.258 20 0 FEADHO O[C@@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)CN1CCCC1 ZINC000463073968 673295964 /nfs/dbraw/zinc/29/59/64/673295964.db2.gz MFWMLMDCGCKPES-SFHVURJKSA-N 1 3 351.922 2.351 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000463116407 673298481 /nfs/dbraw/zinc/29/84/81/673298481.db2.gz OAPROOKVOIGWGR-MRXNPFEDSA-N 1 3 364.500 2.266 20 0 FEADHO COC(=O)c1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1Cl ZINC000597132398 673450384 /nfs/dbraw/zinc/45/03/84/673450384.db2.gz QBVMPCWLWSELDW-UHFFFAOYSA-N 1 3 353.894 2.242 20 0 FEADHO C[C@@H]1CCN(CC(=O)N(C[C@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)C1 ZINC000614444161 676175105 /nfs/dbraw/zinc/17/51/05/676175105.db2.gz WHGLZXLEEPADMQ-SJLPKXTDSA-N 1 3 353.551 2.048 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCO[C@@H](C)C3)CC2)CC1 ZINC000566450480 675215063 /nfs/dbraw/zinc/21/50/63/675215063.db2.gz GXUBBBQNYRRFTN-IRXDYDNUSA-N 1 3 351.535 2.114 20 0 FEADHO CN1CCN(CC[NH2+]C[C@H](O)c2cccc(Br)c2)CC1(C)C ZINC000819288390 675277602 /nfs/dbraw/zinc/27/76/02/675277602.db2.gz YWRLVJPUIQKGCL-INIZCTEOSA-N 1 3 370.335 2.098 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000824826921 675623709 /nfs/dbraw/zinc/62/37/09/675623709.db2.gz UDTUUMRPEQWLCG-RRFJBIMHSA-N 1 3 367.456 2.265 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000824826921 675623711 /nfs/dbraw/zinc/62/37/11/675623711.db2.gz UDTUUMRPEQWLCG-RRFJBIMHSA-N 1 3 367.456 2.265 20 0 FEADHO COCCN1[C@H](C)CN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C[C@@H]1C ZINC000825714077 675665244 /nfs/dbraw/zinc/66/52/44/675665244.db2.gz DPBOBLVJEUZGHV-UXLLHSPISA-N 1 3 368.547 2.101 20 0 FEADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000616994734 676265466 /nfs/dbraw/zinc/26/54/66/676265466.db2.gz DSGCBNYABFHRSA-KRWDZBQOSA-N 1 3 351.535 2.258 20 0 FEADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000616994734 676265470 /nfs/dbraw/zinc/26/54/70/676265470.db2.gz DSGCBNYABFHRSA-KRWDZBQOSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc(-c2ccccn2)s1 ZINC000617504682 676288867 /nfs/dbraw/zinc/28/88/67/676288867.db2.gz FPJONRZFZNLCGZ-AWEZNQCLSA-N 1 3 361.515 2.207 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc(-c2ccccn2)s1 ZINC000617504682 676288869 /nfs/dbraw/zinc/28/88/69/676288869.db2.gz FPJONRZFZNLCGZ-AWEZNQCLSA-N 1 3 361.515 2.207 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(OC(C)(C)C)cn1 ZINC000617507817 676289377 /nfs/dbraw/zinc/28/93/77/676289377.db2.gz KEJQACLDYBUXPW-HNNXBMFYSA-N 1 3 350.507 2.261 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(OC(C)(C)C)cn1 ZINC000617507817 676289378 /nfs/dbraw/zinc/28/93/78/676289378.db2.gz KEJQACLDYBUXPW-HNNXBMFYSA-N 1 3 350.507 2.261 20 0 FEADHO COC(C)(C)c1nc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000617508164 676289494 /nfs/dbraw/zinc/28/94/94/676289494.db2.gz VSKLVEBAGZFGCK-ZDUSSCGKSA-N 1 3 370.563 2.335 20 0 FEADHO COC(C)(C)c1nc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000617508164 676289495 /nfs/dbraw/zinc/28/94/95/676289495.db2.gz VSKLVEBAGZFGCK-ZDUSSCGKSA-N 1 3 370.563 2.335 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCOC3(C)C)CC2)CC1 ZINC000620516055 676420669 /nfs/dbraw/zinc/42/06/69/676420669.db2.gz KCLQHMSFVMTMOH-QGZVFWFLSA-N 1 3 351.535 2.114 20 0 FEADHO COc1ccc(Br)c(CNCCC[N@H+](C)CCN(C)C)c1 ZINC000623087644 676520047 /nfs/dbraw/zinc/52/00/47/676520047.db2.gz APRBLZPZIMMZDS-UHFFFAOYSA-N 1 3 358.324 2.431 20 0 FEADHO COc1ccc(Br)c(CNCCC[N@@H+](C)CCN(C)C)c1 ZINC000623087644 676520048 /nfs/dbraw/zinc/52/00/48/676520048.db2.gz APRBLZPZIMMZDS-UHFFFAOYSA-N 1 3 358.324 2.431 20 0 FEADHO CN(C)CC[N@H+](C)CCCNCc1cn2ccc(Br)cc2n1 ZINC000623087989 676520094 /nfs/dbraw/zinc/52/00/94/676520094.db2.gz RSHYKTRLPGNAHR-UHFFFAOYSA-N 1 3 368.323 2.070 20 0 FEADHO CN(C)CC[N@@H+](C)CCCNCc1cn2ccc(Br)cc2n1 ZINC000623087989 676520097 /nfs/dbraw/zinc/52/00/97/676520097.db2.gz RSHYKTRLPGNAHR-UHFFFAOYSA-N 1 3 368.323 2.070 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623401763 676533143 /nfs/dbraw/zinc/53/31/43/676533143.db2.gz NVGYKOBDERVBQE-SFHVURJKSA-N 1 3 367.559 2.477 20 0 FEADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H](O)CC3(O)CCC3)C2)s1 ZINC000625402120 676645672 /nfs/dbraw/zinc/64/56/72/676645672.db2.gz FWXUCADOCDVKLW-IAGOWNOFSA-N 1 3 352.544 2.476 20 0 FEADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H](O)CC3(O)CCC3)C2)s1 ZINC000625402120 676645673 /nfs/dbraw/zinc/64/56/73/676645673.db2.gz FWXUCADOCDVKLW-IAGOWNOFSA-N 1 3 352.544 2.476 20 0 FEADHO C[C@@H]1CC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C[NH2+]1 ZINC000627196896 676743402 /nfs/dbraw/zinc/74/34/02/676743402.db2.gz WJJDVSVRBKDDOR-UKRRQHHQSA-N 1 3 354.445 2.179 20 0 FEADHO COc1cc(Br)ccc1CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629576335 676860730 /nfs/dbraw/zinc/86/07/30/676860730.db2.gz XWAWULHNMFQHAQ-MRXNPFEDSA-N 1 3 371.319 2.437 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000630027097 676880011 /nfs/dbraw/zinc/88/00/11/676880011.db2.gz LUVNEFSCOWIAIZ-SFHVURJKSA-N 1 3 351.535 2.354 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000630027097 676880013 /nfs/dbraw/zinc/88/00/13/676880013.db2.gz LUVNEFSCOWIAIZ-SFHVURJKSA-N 1 3 351.535 2.354 20 0 FEADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635003239 677087285 /nfs/dbraw/zinc/08/72/85/677087285.db2.gz AZCQPFGIFCMJBN-ZRIGBIPOSA-N 1 3 351.288 2.429 20 0 FEADHO CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635896356 677109599 /nfs/dbraw/zinc/10/95/99/677109599.db2.gz SUUUGQBSKNSURO-AEFFLSMTSA-N 1 3 353.551 2.048 20 0 FEADHO CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635896356 677109600 /nfs/dbraw/zinc/10/96/00/677109600.db2.gz SUUUGQBSKNSURO-AEFFLSMTSA-N 1 3 353.551 2.048 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641051949 677193836 /nfs/dbraw/zinc/19/38/36/677193836.db2.gz LOBVVLDRDZMELF-MRXNPFEDSA-N 1 3 354.445 2.180 20 0 FEADHO CN(C)S(=O)(=O)c1cccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647975771 677309774 /nfs/dbraw/zinc/30/97/74/677309774.db2.gz FSQNLAKLLOWTPD-ROUUACIJSA-N 1 3 365.543 2.149 20 0 FEADHO CC[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)N1CCc2ccccc2C1 ZINC000649292911 677328846 /nfs/dbraw/zinc/32/88/46/677328846.db2.gz LIGFHDISRRISBW-IRXDYDNUSA-N 1 3 351.441 2.184 20 0 FEADHO COc1cc(F)c(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000651708873 677446228 /nfs/dbraw/zinc/44/62/28/677446228.db2.gz DEGGLQFUTXFMFK-OAHLLOKOSA-N 1 3 351.466 2.101 20 0 FEADHO CC[C@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)[C@@H](C)CO1 ZINC000655161994 677626607 /nfs/dbraw/zinc/62/66/07/677626607.db2.gz ATCVSDXSCIKIJU-LPHOPBHVSA-N 1 3 351.535 2.209 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000655925809 677693181 /nfs/dbraw/zinc/69/31/81/677693181.db2.gz FQJPRCVJBNQJDC-QWHCGFSZSA-N 1 3 364.437 2.200 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)N(C)C)cc1 ZINC000659497318 678184377 /nfs/dbraw/zinc/18/43/77/678184377.db2.gz GVJWTGVFXNEWCK-OAGGEKHMSA-N 1 3 354.495 2.092 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)N(C)C)cc1 ZINC000659497317 678184408 /nfs/dbraw/zinc/18/44/08/678184408.db2.gz GVJWTGVFXNEWCK-BZUAXINKSA-N 1 3 354.495 2.092 20 0 FEADHO C[NH2+]C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000659636681 678194291 /nfs/dbraw/zinc/19/42/91/678194291.db2.gz ATQHTHQLTPDPKW-CYBMUJFWSA-N 1 3 371.323 2.130 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)[C@@H](C)C1 ZINC000660307308 678321861 /nfs/dbraw/zinc/32/18/61/678321861.db2.gz WELWJHQXFVFUCH-VPAKFMSCSA-N 1 3 351.535 2.160 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]([C@@H]3CCCCO3)C2)CC1 ZINC000661874368 678544185 /nfs/dbraw/zinc/54/41/85/678544185.db2.gz JHWFQGUXMATFFG-MJGOQNOKSA-N 1 3 351.535 2.257 20 0 FEADHO COc1cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1C ZINC000663789223 678789498 /nfs/dbraw/zinc/78/94/98/678789498.db2.gz XTVXYIURZTVMCJ-INIZCTEOSA-N 1 3 350.507 2.075 20 0 FEADHO COc1cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1C ZINC000663789223 678789500 /nfs/dbraw/zinc/78/95/00/678789500.db2.gz XTVXYIURZTVMCJ-INIZCTEOSA-N 1 3 350.507 2.075 20 0 FEADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000669573947 679243476 /nfs/dbraw/zinc/24/34/76/679243476.db2.gz RTNIUMGJYMUNOY-LLGZUXRYSA-N 1 3 362.440 2.089 20 0 FEADHO CCNc1ncc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCN2CC)s1 ZINC000676338031 679628574 /nfs/dbraw/zinc/62/85/74/679628574.db2.gz BGHOUWFRYGRSMM-CQSZACIVSA-N 1 3 353.536 2.063 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3C[C@H]3C(F)(F)F)CC2)CC1 ZINC000831360219 679972007 /nfs/dbraw/zinc/97/20/07/679972007.db2.gz OUHGWVGESSJTQF-GOEBONIOSA-N 1 3 361.452 2.497 20 0 FEADHO CC[C@@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834531437 680239016 /nfs/dbraw/zinc/23/90/16/680239016.db2.gz ZFYFKDUDNZRECP-BBWFWOEESA-N 1 3 355.523 2.211 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3ccncc3Cl)C2)CC[N@@H+]1C ZINC000983703551 680322208 /nfs/dbraw/zinc/32/22/08/680322208.db2.gz DZZMAQDRTHNXLJ-RRCSTGOVSA-N 1 3 350.894 2.060 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3ccncc3Cl)C2)CC[N@H+]1C ZINC000983703551 680322213 /nfs/dbraw/zinc/32/22/13/680322213.db2.gz DZZMAQDRTHNXLJ-RRCSTGOVSA-N 1 3 350.894 2.060 20 0 FEADHO Cc1ncc(CN(C)C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001029741326 680390632 /nfs/dbraw/zinc/39/06/32/680390632.db2.gz PDIAEYHLOIAIBZ-UKPHBRMFSA-N 1 3 350.532 2.072 20 0 FEADHO Cc1ncc(CN(C)C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001029741326 680390633 /nfs/dbraw/zinc/39/06/33/680390633.db2.gz PDIAEYHLOIAIBZ-UKPHBRMFSA-N 1 3 350.532 2.072 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCc2ccns2)CC[N@@H+]1C ZINC001045781456 680640442 /nfs/dbraw/zinc/64/04/42/680640442.db2.gz MZHOXGVSROMANJ-XLMAVXFVSA-N 1 3 362.543 2.091 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCc2ccns2)CC[N@H+]1C ZINC001045781456 680640443 /nfs/dbraw/zinc/64/04/43/680640443.db2.gz MZHOXGVSROMANJ-XLMAVXFVSA-N 1 3 362.543 2.091 20 0 FEADHO CC1CCN([C@H](CNC(=O)CO[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000844165791 681042772 /nfs/dbraw/zinc/04/27/72/681042772.db2.gz POGZIULNWJABSI-DLBZAZTESA-N 1 3 365.543 2.406 20 0 FEADHO C[C@H](NC(=S)NC1CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778529697 681620296 /nfs/dbraw/zinc/62/02/96/681620296.db2.gz CSWFSVCPPKUNOM-WMZOPIPTSA-N 1 3 360.571 2.455 20 0 FEADHO C[C@H](NC(=S)NC1CCN(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778529697 681620299 /nfs/dbraw/zinc/62/02/99/681620299.db2.gz CSWFSVCPPKUNOM-WMZOPIPTSA-N 1 3 360.571 2.455 20 0 FEADHO CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000935817302 681828824 /nfs/dbraw/zinc/82/88/24/681828824.db2.gz MWPHLYNSMQYWJB-QGZVFWFLSA-N 1 3 355.567 2.485 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2CC(CNCc3nc(C)c(C)s3)C2)CC[N@@H+]1C ZINC000961855137 682102941 /nfs/dbraw/zinc/10/29/41/682102941.db2.gz MYHZWZVZJMUYIB-SJJHQCBESA-N 1 3 364.559 2.475 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2CC(CNCc3nc(C)c(C)s3)C2)CC[N@H+]1C ZINC000961855137 682102943 /nfs/dbraw/zinc/10/29/43/682102943.db2.gz MYHZWZVZJMUYIB-SJJHQCBESA-N 1 3 364.559 2.475 20 0 FEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000851854224 682163484 /nfs/dbraw/zinc/16/34/84/682163484.db2.gz RCTPDSQGBLFXJP-BBWFWOEESA-N 1 3 357.539 2.313 20 0 FEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000851854224 682163488 /nfs/dbraw/zinc/16/34/88/682163488.db2.gz RCTPDSQGBLFXJP-BBWFWOEESA-N 1 3 357.539 2.313 20 0 FEADHO C[C@@H](CS(=O)(=O)c1ccccc1)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925886947 683047853 /nfs/dbraw/zinc/04/78/53/683047853.db2.gz OANIISALSGECDL-XKGZKEIXSA-N 1 3 358.507 2.498 20 0 FEADHO CN(C)S(=O)(=O)c1ccc(CN2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799178163 683433509 /nfs/dbraw/zinc/43/35/09/683433509.db2.gz OLQWFMMJERHGLD-UHFFFAOYSA-N 1 3 365.543 2.245 20 0 FEADHO CN1CC[C@H](CNC(=O)NC[C@H]2CC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000921702523 683549395 /nfs/dbraw/zinc/54/93/95/683549395.db2.gz KJXUNIDRVHICRD-CKEIUWERSA-N 1 3 368.884 2.475 20 0 FEADHO CN1CC[C@H](CNC(=O)NC[C@H]2CC[N@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000921702523 683549400 /nfs/dbraw/zinc/54/94/00/683549400.db2.gz KJXUNIDRVHICRD-CKEIUWERSA-N 1 3 368.884 2.475 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)COC1CC[NH+](C)CC1)c1ccsc1 ZINC000930219281 683695396 /nfs/dbraw/zinc/69/53/96/683695396.db2.gz WTPKAVNOAPCNJW-KRWDZBQOSA-N 1 3 353.532 2.358 20 0 FEADHO Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC(OCCC[NH3+])CC2)c1 ZINC000923297369 684258343 /nfs/dbraw/zinc/25/83/43/684258343.db2.gz NZJDJSKJQDTINN-HNNXBMFYSA-N 1 3 356.894 2.218 20 0 FEADHO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452843 684283516 /nfs/dbraw/zinc/28/35/16/684283516.db2.gz ILAPRFNNLFJUOC-PBHICJAKSA-N 1 3 365.905 2.175 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(C)CC(F)(F)C3)CC2)CC1 ZINC000883248425 687594162 /nfs/dbraw/zinc/59/41/62/687594162.db2.gz SGKYZHDNCZQMNK-UHFFFAOYSA-N 1 3 358.477 2.280 20 0 FEADHO [NH3+][C@H](CC1CC1)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000884224629 687823544 /nfs/dbraw/zinc/82/35/44/687823544.db2.gz UMUDBLIWDRRINK-GOSISDBHSA-N 1 3 365.905 2.427 20 0 FEADHO C[C@H](CC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2)N(C)C ZINC000895428128 689714639 /nfs/dbraw/zinc/71/46/39/689714639.db2.gz GDAXZISGBNBKKP-OAGGEKHMSA-N 1 3 355.523 2.379 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccsc1 ZINC000900193089 690481892 /nfs/dbraw/zinc/48/18/92/690481892.db2.gz ZFBWUMSBCBQHES-FUHWJXTLSA-N 1 3 353.532 2.094 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1ccsc1 ZINC000900193089 690481894 /nfs/dbraw/zinc/48/18/94/690481894.db2.gz ZFBWUMSBCBQHES-FUHWJXTLSA-N 1 3 353.532 2.094 20 0 FEADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903167205 690859782 /nfs/dbraw/zinc/85/97/82/690859782.db2.gz IDJGUNYCEIHWNR-OAHLLOKOSA-N 1 3 354.539 2.048 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC(C(C)(C)C[NH3+])CC2)cc1 ZINC000903521105 690909578 /nfs/dbraw/zinc/90/95/78/690909578.db2.gz IFBVSQXJCSZXGX-UHFFFAOYSA-N 1 3 353.532 2.134 20 0 FEADHO COc1cc(OC)c(OC)cc1CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000904389124 691023977 /nfs/dbraw/zinc/02/39/77/691023977.db2.gz IANJOLYPFJPLRD-HNNXBMFYSA-N 1 3 350.459 2.042 20 0 FEADHO CN(C)[S@@](C)(=O)=NCC1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000904475789 691030419 /nfs/dbraw/zinc/03/04/19/691030419.db2.gz MFYBCWNJETXMFN-DEOSSOPVSA-N 1 3 370.588 2.180 20 0 FEADHO CN(C)Cc1ccnc(N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164693228 719760483 /nfs/dbraw/zinc/76/04/83/719760483.db2.gz YUVIFZWHJKTGGR-OXJNMPFZSA-N 1 3 371.460 2.336 20 0 FEADHO Cc1[nH+]c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc2[nH]ccc21 ZINC001164743972 720745441 /nfs/dbraw/zinc/74/54/41/720745441.db2.gz QSNHVXBXQMUABL-CABCVRRESA-N 1 3 350.426 2.003 20 0 FEADHO CC(C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)S(C)(=O)=O ZINC000048227542 540352461 /nfs/dbraw/zinc/35/24/61/540352461.db2.gz DAVNZEJYNXWQKL-LSDHHAIUSA-N 1 3 352.500 2.110 20 0 FEADHO CC(C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)S(C)(=O)=O ZINC000048227542 540352463 /nfs/dbraw/zinc/35/24/63/540352463.db2.gz DAVNZEJYNXWQKL-LSDHHAIUSA-N 1 3 352.500 2.110 20 0 FEADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000050136828 540400676 /nfs/dbraw/zinc/40/06/76/540400676.db2.gz PHGDCGRAEVNWKR-HOTGVXAUSA-N 1 3 350.532 2.354 20 0 FEADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000050136828 540400679 /nfs/dbraw/zinc/40/06/79/540400679.db2.gz PHGDCGRAEVNWKR-HOTGVXAUSA-N 1 3 350.532 2.354 20 0 FEADHO CCOc1ccccc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051279681 540428914 /nfs/dbraw/zinc/42/89/14/540428914.db2.gz HDSACEFNKNCTDO-UHFFFAOYSA-N 1 3 374.529 2.443 20 0 FEADHO C[C@@H]1CCC[C@](CNC(=O)N2CCN(c3ccncc3)CC2)([NH+](C)C)C1 ZINC000052588323 540475124 /nfs/dbraw/zinc/47/51/24/540475124.db2.gz HZIFKBOLROCDCI-XLIONFOSSA-N 1 3 359.518 2.424 20 0 FEADHO NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000551007019 674119592 /nfs/dbraw/zinc/11/95/92/674119592.db2.gz CGFSKMUFXOMLFD-LJQANCHMSA-N 1 3 363.527 2.175 20 0 FEADHO CO[C@@H]1CCC[C@H](C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000551132210 674125998 /nfs/dbraw/zinc/12/59/98/674125998.db2.gz HDQIDECEXJQXJH-ZWKOTPCHSA-N 1 3 351.535 2.258 20 0 FEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000074249551 542058605 /nfs/dbraw/zinc/05/86/05/542058605.db2.gz OYPREYZYFPLEMA-GOSISDBHSA-N 1 3 361.534 2.219 20 0 FEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000074249551 542058608 /nfs/dbraw/zinc/05/86/08/542058608.db2.gz OYPREYZYFPLEMA-GOSISDBHSA-N 1 3 361.534 2.219 20 0 FEADHO C[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N1CCC(C)CC1 ZINC000074867566 542131008 /nfs/dbraw/zinc/13/10/08/542131008.db2.gz YSVFUCOULYSUTF-PKOBYXMFSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N1CCC(C)CC1 ZINC000074867566 542131010 /nfs/dbraw/zinc/13/10/10/542131010.db2.gz YSVFUCOULYSUTF-PKOBYXMFSA-N 1 3 350.551 2.480 20 0 FEADHO Cn1cc(C[NH2+]CC2(O)CCN(C)CC2)c(-c2cc3ccccc3o2)n1 ZINC000077450076 542383206 /nfs/dbraw/zinc/38/32/06/542383206.db2.gz BVMWFQKNOKCFPN-UHFFFAOYSA-N 1 3 354.454 2.380 20 0 FEADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000077458003 542385084 /nfs/dbraw/zinc/38/50/84/542385084.db2.gz KQIASQGZEQRGJE-SJLPKXTDSA-N 1 3 354.516 2.072 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000101602752 543036435 /nfs/dbraw/zinc/03/64/35/543036435.db2.gz ZZSRMGDFRNTVCZ-MRXNPFEDSA-N 1 3 362.474 2.295 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000101602752 543036436 /nfs/dbraw/zinc/03/64/36/543036436.db2.gz ZZSRMGDFRNTVCZ-MRXNPFEDSA-N 1 3 362.474 2.295 20 0 FEADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n(Cc2ccccc2)n1 ZINC000103174061 543096657 /nfs/dbraw/zinc/09/66/57/543096657.db2.gz KCQWTKLAGCNTJQ-UHFFFAOYSA-N 1 3 372.517 2.197 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1cccc(F)c1)[N@H+](C)C1CC1 ZINC000105264679 543167741 /nfs/dbraw/zinc/16/77/41/543167741.db2.gz FPHRMAWFVDWHEC-OAHLLOKOSA-N 1 3 350.482 2.382 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1cccc(F)c1)[N@@H+](C)C1CC1 ZINC000105264679 543167745 /nfs/dbraw/zinc/16/77/45/543167745.db2.gz FPHRMAWFVDWHEC-OAHLLOKOSA-N 1 3 350.482 2.382 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@H]3c3ncc[nH]3)CC2)CC1 ZINC000106550998 543236931 /nfs/dbraw/zinc/23/69/31/543236931.db2.gz XIGQOYGYTLRVSW-SFHVURJKSA-N 1 3 374.533 2.205 20 0 FEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000107389756 543269915 /nfs/dbraw/zinc/26/99/15/543269915.db2.gz PKUVMVVRZHJRPI-ZWKOTPCHSA-N 1 3 361.534 2.275 20 0 FEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000107389756 543269917 /nfs/dbraw/zinc/26/99/17/543269917.db2.gz PKUVMVVRZHJRPI-ZWKOTPCHSA-N 1 3 361.534 2.275 20 0 FEADHO CC(C)[NH2+]C1CCN([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000108369418 543287690 /nfs/dbraw/zinc/28/76/90/543287690.db2.gz VRDKWKSWZLBDPR-GHTZIAJQSA-N 1 3 372.557 2.228 20 0 FEADHO CC(C)[NH2+]C1CCN([C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000108369429 543287860 /nfs/dbraw/zinc/28/78/60/543287860.db2.gz VRDKWKSWZLBDPR-NQIIRXRSSA-N 1 3 372.557 2.228 20 0 FEADHO C[N@@H+]1CCC[C@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000111618247 543408718 /nfs/dbraw/zinc/40/87/18/543408718.db2.gz CXDHADBXLJOHPS-LJQANCHMSA-N 1 3 358.530 2.047 20 0 FEADHO C[N@H+]1CCC[C@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000111618247 543408721 /nfs/dbraw/zinc/40/87/21/543408721.db2.gz CXDHADBXLJOHPS-LJQANCHMSA-N 1 3 358.530 2.047 20 0 FEADHO CN(CCN1CCCC1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000112748730 543463086 /nfs/dbraw/zinc/46/30/86/543463086.db2.gz PEKOAQHXPGPBCM-FQEVSTJZSA-N 1 3 358.530 2.288 20 0 FEADHO CN(CCN1CCCC1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000112748730 543463090 /nfs/dbraw/zinc/46/30/90/543463090.db2.gz PEKOAQHXPGPBCM-FQEVSTJZSA-N 1 3 358.530 2.288 20 0 FEADHO Cc1noc(C)c1[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000113974193 543499762 /nfs/dbraw/zinc/49/97/62/543499762.db2.gz NIUVVVPYMCDRBH-ZDUSSCGKSA-N 1 3 363.506 2.210 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC[NH+]3CCC(C)CC3)cc2)CC1 ZINC000118772300 543658489 /nfs/dbraw/zinc/65/84/89/543658489.db2.gz SAPZTYCGZFAQFY-UHFFFAOYSA-N 1 3 358.530 2.290 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN(CCOC(C)C)CC2)[C@H](C)C1 ZINC000129873815 544130615 /nfs/dbraw/zinc/13/06/15/544130615.db2.gz RXBAHNMZFUWVNN-IEBWSBKVSA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN(CCOC(C)C)CC2)[C@H](C)C1 ZINC000129873815 544130616 /nfs/dbraw/zinc/13/06/16/544130616.db2.gz RXBAHNMZFUWVNN-IEBWSBKVSA-N 1 3 368.566 2.248 20 0 FEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131510906 544193024 /nfs/dbraw/zinc/19/30/24/544193024.db2.gz RKXTWPKWHITFIU-MRXNPFEDSA-N 1 3 373.497 2.461 20 0 FEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131510906 544193025 /nfs/dbraw/zinc/19/30/25/544193025.db2.gz RKXTWPKWHITFIU-MRXNPFEDSA-N 1 3 373.497 2.461 20 0 FEADHO CN(CCC1CCOCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000131658361 544200338 /nfs/dbraw/zinc/20/03/38/544200338.db2.gz MQWYHBQIGYTJFU-UHFFFAOYSA-N 1 3 366.550 2.003 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3[C@@H]4Cc5ccccc5[C@@H]43)CC2)CC1 ZINC000132355771 544227875 /nfs/dbraw/zinc/22/78/75/544227875.db2.gz LGLBSHXFBXXGGO-HKBOAZHASA-N 1 3 368.525 2.183 20 0 FEADHO COc1ccc([C@@H](CNC(=O)C[C@H]2CSCC[NH2+]2)N2CCCC2)cc1 ZINC000133359294 544266243 /nfs/dbraw/zinc/26/62/43/544266243.db2.gz OYABYJZEGBECFU-FUHWJXTLSA-N 1 3 363.527 2.043 20 0 FEADHO CC[NH+]1CCC(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000133763980 544282377 /nfs/dbraw/zinc/28/23/77/544282377.db2.gz PGPIMAXRVMSOII-MRXNPFEDSA-N 1 3 359.518 2.391 20 0 FEADHO CCS(=O)(=O)NCCCN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000133782942 544283176 /nfs/dbraw/zinc/28/31/76/544283176.db2.gz JZJXKJXQIQTTIY-QGZVFWFLSA-N 1 3 359.580 2.292 20 0 FEADHO CCS(=O)(=O)NCCCN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000133782942 544283179 /nfs/dbraw/zinc/28/31/79/544283179.db2.gz JZJXKJXQIQTTIY-QGZVFWFLSA-N 1 3 359.580 2.292 20 0 FEADHO C[C@H]1C[C@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)CN1Cc1ccccc1 ZINC000136012481 544365146 /nfs/dbraw/zinc/36/51/46/544365146.db2.gz FYZUTEZNFZTCQP-WMZOPIPTSA-N 1 3 370.501 2.229 20 0 FEADHO [NH3+][C@@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CC1 ZINC000137596465 544391689 /nfs/dbraw/zinc/39/16/89/544391689.db2.gz MJBSXLDVXOALGY-RDJZCZTQSA-N 1 3 355.404 2.295 20 0 FEADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000154393895 544901329 /nfs/dbraw/zinc/90/13/29/544901329.db2.gz NHGJOGKMTZMTAY-SFHVURJKSA-N 1 3 358.530 2.492 20 0 FEADHO Cc1c([C@@H](C)N[C@@H](C)CC[NH+]2CCN(C)CC2)nnn1-c1ccc(F)cc1 ZINC000186599485 327970141 /nfs/dbraw/zinc/97/01/41/327970141.db2.gz UNYGOZUBQIBYED-JKSUJKDBSA-N 1 3 374.508 2.391 20 0 FEADHO CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)CC[NH+](C)C)c2C1 ZINC000187466629 328027613 /nfs/dbraw/zinc/02/76/13/328027613.db2.gz PJPCTSWZMCSCIB-HNNXBMFYSA-N 1 3 360.502 2.005 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000188205471 328073274 /nfs/dbraw/zinc/07/32/74/328073274.db2.gz WJGGLYUUEMVGIL-SJORKVTESA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000188205471 328073276 /nfs/dbraw/zinc/07/32/76/328073276.db2.gz WJGGLYUUEMVGIL-SJORKVTESA-N 1 3 354.539 2.002 20 0 FEADHO CC(C)CNC(=O)NC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189946919 328177920 /nfs/dbraw/zinc/17/79/20/328177920.db2.gz CBIXODPOQOYKGS-IRXDYDNUSA-N 1 3 374.529 2.214 20 0 FEADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000191605494 328273664 /nfs/dbraw/zinc/27/36/64/328273664.db2.gz PXDUEJZSHGZSTH-MRXNPFEDSA-N 1 3 360.502 2.084 20 0 FEADHO C[C@@H]([NH3+])CCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000193318076 328368536 /nfs/dbraw/zinc/36/85/36/328368536.db2.gz JZVHDDTWVHEBIH-CQSZACIVSA-N 1 3 353.894 2.427 20 0 FEADHO C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H](CN)c2ccccc2)cc1 ZINC000237103825 328504550 /nfs/dbraw/zinc/50/45/50/328504550.db2.gz IAXRDZBJYOMCLW-FQEVSTJZSA-N 1 3 355.482 2.376 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000237202863 328508248 /nfs/dbraw/zinc/50/82/48/328508248.db2.gz AOAVXWQELGLDLS-PMSBKCLSSA-N 1 3 370.541 2.249 20 0 FEADHO C[C@@H](CN1CCCCC1)NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000079171217 325080189 /nfs/dbraw/zinc/08/01/89/325080189.db2.gz QZYYTGFJYZERJM-KRWDZBQOSA-N 1 3 362.518 2.301 20 0 FEADHO C[C@@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000081266366 325165696 /nfs/dbraw/zinc/16/56/96/325165696.db2.gz NNZSZVVETCMDAX-IBGZPJMESA-N 1 3 358.530 2.047 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CC(C)(C)N2CCOCC2)CC1 ZINC000088669438 325299132 /nfs/dbraw/zinc/29/91/32/325299132.db2.gz UJSUVEPPMWFMKB-UHFFFAOYSA-N 1 3 374.573 2.419 20 0 FEADHO C[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090183179 325356154 /nfs/dbraw/zinc/35/61/54/325356154.db2.gz ZPCNCKBWADLZPC-OAHLLOKOSA-N 1 3 354.516 2.102 20 0 FEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000091233350 325382150 /nfs/dbraw/zinc/38/21/50/325382150.db2.gz RHTNGMBIHXIMMY-GOSISDBHSA-N 1 3 359.518 2.281 20 0 FEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000091233350 325382151 /nfs/dbraw/zinc/38/21/51/325382151.db2.gz RHTNGMBIHXIMMY-GOSISDBHSA-N 1 3 359.518 2.281 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000091232814 325382267 /nfs/dbraw/zinc/38/22/67/325382267.db2.gz ABTYSGNXJSZKHV-IBGZPJMESA-N 1 3 371.529 2.425 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000245849201 328574336 /nfs/dbraw/zinc/57/43/36/328574336.db2.gz GBLJSJOASPDKMC-IPMKNSEASA-N 1 3 359.514 2.271 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@]3(C)CCC[NH2+]C3)CC2)c1 ZINC000120504552 326264267 /nfs/dbraw/zinc/26/42/67/326264267.db2.gz ZPLGKSKIICYIDF-JOCHJYFZSA-N 1 3 372.557 2.403 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CN1C1CC1 ZINC000120871905 326295258 /nfs/dbraw/zinc/29/52/58/326295258.db2.gz ODKTWKIMNAZRDU-RDJZCZTQSA-N 1 3 360.502 2.051 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CN1C1CC1 ZINC000120871734 326295372 /nfs/dbraw/zinc/29/53/72/326295372.db2.gz ODKTWKIMNAZRDU-WBVHZDCISA-N 1 3 360.502 2.051 20 0 FEADHO CCN1CCN(CCCNC(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000121194424 326320888 /nfs/dbraw/zinc/32/08/88/326320888.db2.gz JJFJNUNBWZZXQP-NRFANRHFSA-N 1 3 372.557 2.185 20 0 FEADHO CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000121194424 326320889 /nfs/dbraw/zinc/32/08/89/326320889.db2.gz JJFJNUNBWZZXQP-NRFANRHFSA-N 1 3 372.557 2.185 20 0 FEADHO CCN(CC)C(=O)C[C@H](C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000124753024 326459491 /nfs/dbraw/zinc/45/94/91/326459491.db2.gz PACIPQYYVBKEDG-SFHVURJKSA-N 1 3 352.567 2.173 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000136445901 326652772 /nfs/dbraw/zinc/65/27/72/326652772.db2.gz LYAFCJYLRJBTRM-IAGOWNOFSA-N 1 3 362.518 2.120 20 0 FEADHO CCNC(=O)N1CC[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000152743476 326715404 /nfs/dbraw/zinc/71/54/04/326715404.db2.gz SKGSAISMBGDPTO-GOSISDBHSA-N 1 3 373.545 2.110 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000155327614 326784648 /nfs/dbraw/zinc/78/46/48/326784648.db2.gz OIRPMGMCMVQAHH-UHFFFAOYSA-N 1 3 361.530 2.209 20 0 FEADHO C[NH2+]C[C@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000158911842 326911981 /nfs/dbraw/zinc/91/19/81/326911981.db2.gz LWDNPASTWVBRPY-LJQANCHMSA-N 1 3 358.530 2.047 20 0 FEADHO C[C@H](CNC(=O)N(C)CC1CCN(c2ccncc2)CC1)[N@H+](C)C1CC1 ZINC000161704302 327006997 /nfs/dbraw/zinc/00/69/97/327006997.db2.gz OOBOFPIXXIKVIM-MRXNPFEDSA-N 1 3 359.518 2.422 20 0 FEADHO C[C@H](CNC(=O)N(C)CC1CCN(c2ccncc2)CC1)[N@@H+](C)C1CC1 ZINC000161704302 327006999 /nfs/dbraw/zinc/00/69/99/327006999.db2.gz OOBOFPIXXIKVIM-MRXNPFEDSA-N 1 3 359.518 2.422 20 0 FEADHO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000163438670 327051576 /nfs/dbraw/zinc/05/15/76/327051576.db2.gz AANACRUQGDQJRE-UHFFFAOYSA-N 1 3 373.541 2.305 20 0 FEADHO CN(C)CCn1c2cc(NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])ccc2oc1=O ZINC000166617883 327082453 /nfs/dbraw/zinc/08/24/53/327082453.db2.gz WTUJGWAVKCBXMA-HOTGVXAUSA-N 1 3 374.485 2.392 20 0 FEADHO COCCN1CCC(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000171194539 327123485 /nfs/dbraw/zinc/12/34/85/327123485.db2.gz SRIAEOCLYDJICQ-UHFFFAOYSA-N 1 3 366.550 2.051 20 0 FEADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173316945 327249357 /nfs/dbraw/zinc/24/93/57/327249357.db2.gz QYHYZEYUBCNSHE-HUUCEWRRSA-N 1 3 351.516 2.072 20 0 FEADHO COCc1cccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000174411220 327325496 /nfs/dbraw/zinc/32/54/96/327325496.db2.gz YLHRGDBTAGCDPO-UHFFFAOYSA-N 1 3 355.482 2.414 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000176064778 327431808 /nfs/dbraw/zinc/43/18/08/327431808.db2.gz MCWOTLZTSQGOSM-INIZCTEOSA-N 1 3 374.529 2.233 20 0 FEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C1 ZINC000176097341 327434273 /nfs/dbraw/zinc/43/42/73/327434273.db2.gz DYKXMNJBQAFBLT-GOSISDBHSA-N 1 3 374.529 2.185 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000176170182 327438555 /nfs/dbraw/zinc/43/85/55/327438555.db2.gz BBRCYVCFVJLVQA-UHFFFAOYSA-N 1 3 354.539 2.051 20 0 FEADHO CCN(CC)[C@@H](C(=O)NCCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000264236505 329003148 /nfs/dbraw/zinc/00/31/48/329003148.db2.gz NMYTUJWKDSNPAG-HXUWFJFHSA-N 1 3 360.546 2.213 20 0 FEADHO C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)CN1CCN(C)CC1 ZINC000265098463 329090634 /nfs/dbraw/zinc/09/06/34/329090634.db2.gz GJUZGHIRPWRMCU-IBGZPJMESA-N 1 3 372.557 2.286 20 0 FEADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000265879533 329169337 /nfs/dbraw/zinc/16/93/37/329169337.db2.gz ODWBZBJKYONBKX-HKUYNNGSSA-N 1 3 368.543 2.463 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000266770658 329258271 /nfs/dbraw/zinc/25/82/71/329258271.db2.gz PXIUTDBBMKQFLR-GHTZIAJQSA-N 1 3 370.541 2.475 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000268045641 329379907 /nfs/dbraw/zinc/37/99/07/329379907.db2.gz ZTXKEUCOUWJVSG-APWZRJJASA-N 1 3 358.530 2.067 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000268045641 329379908 /nfs/dbraw/zinc/37/99/08/329379908.db2.gz ZTXKEUCOUWJVSG-APWZRJJASA-N 1 3 358.530 2.067 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000273924265 329902925 /nfs/dbraw/zinc/90/29/25/329902925.db2.gz BPLJEGQVYUIWDS-NRFANRHFSA-N 1 3 372.557 2.356 20 0 FEADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275396138 330044108 /nfs/dbraw/zinc/04/41/08/330044108.db2.gz DFHWOKIZDOTCCK-GOSISDBHSA-N 1 3 374.529 2.110 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000275513152 330057721 /nfs/dbraw/zinc/05/77/21/330057721.db2.gz TZULVGQFCMKPIM-UHFFFAOYSA-N 1 3 374.529 2.108 20 0 FEADHO CCN(CCC[NH+](C)C)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000276255794 330134056 /nfs/dbraw/zinc/13/40/56/330134056.db2.gz RACRACJHQIVXGK-UHFFFAOYSA-N 1 3 361.530 2.305 20 0 FEADHO CN(C)[C@H](CNC(=O)CCCN1CCC([NH3+])CC1)c1ccccc1Cl ZINC000433142100 330272874 /nfs/dbraw/zinc/27/28/74/330272874.db2.gz RSVZLDZGTLRVJZ-GOSISDBHSA-N 1 3 366.937 2.262 20 0 FEADHO CSC[C@@H](C)N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000268984098 518174291 /nfs/dbraw/zinc/17/42/91/518174291.db2.gz DYBRAGNMGQDSAC-CABCVRRESA-N 1 3 373.588 2.319 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000479335069 561187575 /nfs/dbraw/zinc/18/75/75/561187575.db2.gz KJDYFCFEFYIXBX-WMZOPIPTSA-N 1 3 362.518 2.251 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000479335069 561187576 /nfs/dbraw/zinc/18/75/76/561187576.db2.gz KJDYFCFEFYIXBX-WMZOPIPTSA-N 1 3 362.518 2.251 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CN(CC(C)C)CCO2)[C@@H](C)C1 ZINC000480012033 561201381 /nfs/dbraw/zinc/20/13/81/561201381.db2.gz IDOUBXJNYXWTSA-UFYCRDLUSA-N 1 3 355.567 2.070 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CN(CC(C)C)CCO2)[C@@H](C)C1 ZINC000480012033 561201382 /nfs/dbraw/zinc/20/13/82/561201382.db2.gz IDOUBXJNYXWTSA-UFYCRDLUSA-N 1 3 355.567 2.070 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2CN(CC(C)C)CCO2)[C@@H](C)C1 ZINC000480012033 561201383 /nfs/dbraw/zinc/20/13/83/561201383.db2.gz IDOUBXJNYXWTSA-UFYCRDLUSA-N 1 3 355.567 2.070 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc2)CC1 ZINC000177049646 546531973 /nfs/dbraw/zinc/53/19/73/546531973.db2.gz CUZWTXBIZDBGDT-WMZOPIPTSA-N 1 3 356.514 2.184 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)cc2)CC1 ZINC000177049646 546531977 /nfs/dbraw/zinc/53/19/77/546531977.db2.gz CUZWTXBIZDBGDT-WMZOPIPTSA-N 1 3 356.514 2.184 20 0 FEADHO CC(C)[C@H](CNC(=O)NC[C@@]1(N(C)C)CCSC1)[NH+]1CCC(C)CC1 ZINC000481059596 561224050 /nfs/dbraw/zinc/22/40/50/561224050.db2.gz MDYDUFNOMXXPJW-HKUYNNGSSA-N 1 3 370.607 2.479 20 0 FEADHO [NH3+]C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000178571177 546814423 /nfs/dbraw/zinc/81/44/23/546814423.db2.gz SCGVYXMORVMXGX-WBVHZDCISA-N 1 3 355.404 2.248 20 0 FEADHO CC(C)(O)[C@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000179432346 546952736 /nfs/dbraw/zinc/95/27/36/546952736.db2.gz DTWYJPIOTCTPET-LJQANCHMSA-N 1 3 359.514 2.134 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2ccc(C)cn2)[C@@H](C)C1 ZINC000482949628 561263789 /nfs/dbraw/zinc/26/37/89/561263789.db2.gz QZDCDUHQBMMGRE-ROUUACIJSA-N 1 3 362.518 2.445 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2ccc(C)cn2)[C@@H](C)C1 ZINC000482949628 561263790 /nfs/dbraw/zinc/26/37/90/561263790.db2.gz QZDCDUHQBMMGRE-ROUUACIJSA-N 1 3 362.518 2.445 20 0 FEADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)CCC2 ZINC000483127628 561268283 /nfs/dbraw/zinc/26/82/83/561268283.db2.gz NSTHJPSFAHUJCV-NRFANRHFSA-N 1 3 361.530 2.052 20 0 FEADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc2ccccc2n1 ZINC000483140156 561268722 /nfs/dbraw/zinc/26/87/22/561268722.db2.gz ZNTAMGCZGYJTFH-GOSISDBHSA-N 1 3 356.514 2.276 20 0 FEADHO COC(=O)c1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000181337014 547295417 /nfs/dbraw/zinc/29/54/17/547295417.db2.gz JFMNFUHZLLEMAB-UHFFFAOYSA-N 1 3 369.465 2.054 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000181975113 547415601 /nfs/dbraw/zinc/41/56/01/547415601.db2.gz ZOIPVVDIXPWPJA-OTWHNJEPSA-N 1 3 357.498 2.025 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000181975072 547415771 /nfs/dbraw/zinc/41/57/71/547415771.db2.gz GBLJSJOASPDKMC-OTWHNJEPSA-N 1 3 359.514 2.271 20 0 FEADHO CCC[NH+]1CCC(NCc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000183287611 547632829 /nfs/dbraw/zinc/63/28/29/547632829.db2.gz KPTRKMWMMLWGAT-UHFFFAOYSA-N 1 3 372.557 2.476 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000185403968 547979765 /nfs/dbraw/zinc/97/97/65/547979765.db2.gz RFUQMMYNQSOMBO-SFHVURJKSA-N 1 3 368.566 2.441 20 0 FEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000485817761 561328919 /nfs/dbraw/zinc/32/89/19/561328919.db2.gz VAYFFPWMZQGFST-NVXWUHKLSA-N 1 3 367.497 2.442 20 0 FEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000485817764 561328954 /nfs/dbraw/zinc/32/89/54/561328954.db2.gz VAYFFPWMZQGFST-WBVHZDCISA-N 1 3 367.497 2.442 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC000187013618 548240291 /nfs/dbraw/zinc/24/02/91/548240291.db2.gz RUJUREBURXYYHW-ZBFHGGJFSA-N 1 3 352.479 2.038 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC000187013618 548240297 /nfs/dbraw/zinc/24/02/97/548240297.db2.gz RUJUREBURXYYHW-ZBFHGGJFSA-N 1 3 352.479 2.038 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN([C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000245466715 548928051 /nfs/dbraw/zinc/92/80/51/548928051.db2.gz ZCYAIJYFPJKTAC-SESVDKBCSA-N 1 3 372.557 2.182 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN([C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000245466714 548928132 /nfs/dbraw/zinc/92/81/32/548928132.db2.gz ZCYAIJYFPJKTAC-HMXCVIKNSA-N 1 3 372.557 2.182 20 0 FEADHO C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N1CCN(C)CC1 ZINC000245664261 548968994 /nfs/dbraw/zinc/96/89/94/548968994.db2.gz GIGYEQBIPMUAPZ-UVUJQTEASA-N 1 3 356.558 2.408 20 0 FEADHO C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCN(C)CC1 ZINC000245664261 548968998 /nfs/dbraw/zinc/96/89/98/548968998.db2.gz GIGYEQBIPMUAPZ-UVUJQTEASA-N 1 3 356.558 2.408 20 0 FEADHO C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCN(C)CC1 ZINC000245664261 548969002 /nfs/dbraw/zinc/96/90/02/548969002.db2.gz GIGYEQBIPMUAPZ-UVUJQTEASA-N 1 3 356.558 2.408 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000245662368 548969213 /nfs/dbraw/zinc/96/92/13/548969213.db2.gz DIMPXSTWUADBDU-RBUKOAKNSA-N 1 3 374.529 2.048 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000245662368 548969215 /nfs/dbraw/zinc/96/92/15/548969215.db2.gz DIMPXSTWUADBDU-RBUKOAKNSA-N 1 3 374.529 2.048 20 0 FEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)[C@@H]1CCCO1 ZINC000245696036 548976798 /nfs/dbraw/zinc/97/67/98/548976798.db2.gz VLJKFIIAXHLNRK-SQNIBIBYSA-N 1 3 354.539 2.002 20 0 FEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)[C@@H]1CCCO1 ZINC000245696036 548976801 /nfs/dbraw/zinc/97/68/01/548976801.db2.gz VLJKFIIAXHLNRK-SQNIBIBYSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@@H+]1CCC[C@H](NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000245984275 549031639 /nfs/dbraw/zinc/03/16/39/549031639.db2.gz ZGBSRXABYYNUOI-APWZRJJASA-N 1 3 359.518 2.391 20 0 FEADHO CC[N@H+]1CCC[C@H](NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000245984275 549031642 /nfs/dbraw/zinc/03/16/42/549031642.db2.gz ZGBSRXABYYNUOI-APWZRJJASA-N 1 3 359.518 2.391 20 0 FEADHO C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CN3CCN2CCC3)CCCC1)c1ccccc1 ZINC000488360805 561388652 /nfs/dbraw/zinc/38/86/52/561388652.db2.gz PGJOHSLUMWCBCA-UYAOXDASSA-N 1 3 370.541 2.156 20 0 FEADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]1CSCCN1 ZINC000246357397 549113880 /nfs/dbraw/zinc/11/38/80/549113880.db2.gz XQILDGFKQYHWEM-MOPGFXCFSA-N 1 3 361.555 2.452 20 0 FEADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]1CSCCN1 ZINC000246357397 549113882 /nfs/dbraw/zinc/11/38/82/549113882.db2.gz XQILDGFKQYHWEM-MOPGFXCFSA-N 1 3 361.555 2.452 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN(CCOC(C)C)CC2)[C@@H](C)C1 ZINC000246492935 549144785 /nfs/dbraw/zinc/14/47/85/549144785.db2.gz RXBAHNMZFUWVNN-HKUYNNGSSA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(CCOC(C)C)CC2)[C@@H](C)C1 ZINC000246492935 549144788 /nfs/dbraw/zinc/14/47/88/549144788.db2.gz RXBAHNMZFUWVNN-HKUYNNGSSA-N 1 3 368.566 2.248 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](N3CC=CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000246552246 549160499 /nfs/dbraw/zinc/16/04/99/549160499.db2.gz MRRKZTZWNARWQB-YZGWKJHDSA-N 1 3 354.498 2.305 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](N3CC=CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000246552246 549160504 /nfs/dbraw/zinc/16/05/04/549160504.db2.gz MRRKZTZWNARWQB-YZGWKJHDSA-N 1 3 354.498 2.305 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NCc2ccccc2)[C@@H](C)C1 ZINC000246957534 549250807 /nfs/dbraw/zinc/25/08/07/549250807.db2.gz IQWUKBYQFKJLTL-BJLQDIEVSA-N 1 3 361.530 2.418 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)[C@@H](C)C1 ZINC000247077910 549279217 /nfs/dbraw/zinc/27/92/17/549279217.db2.gz XLLJSDLUKLRADL-FAJBIJEISA-N 1 3 366.550 2.048 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)[C@@H](C)C1 ZINC000247077910 549279219 /nfs/dbraw/zinc/27/92/19/549279219.db2.gz XLLJSDLUKLRADL-FAJBIJEISA-N 1 3 366.550 2.048 20 0 FEADHO CC[N@@H+]1CC[C@H](NCCC(=O)N2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247088144 549281517 /nfs/dbraw/zinc/28/15/17/549281517.db2.gz RJTPFGNXPCTSHH-ICSRJNTNSA-N 1 3 358.530 2.045 20 0 FEADHO CC[N@H+]1CC[C@H](NCCC(=O)N2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247088144 549281520 /nfs/dbraw/zinc/28/15/20/549281520.db2.gz RJTPFGNXPCTSHH-ICSRJNTNSA-N 1 3 358.530 2.045 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCN2CCC(C)CC2)[C@@H](C)C1 ZINC000247101680 549283725 /nfs/dbraw/zinc/28/37/25/549283725.db2.gz FEVHCSVGFJTVIQ-RBUKOAKNSA-N 1 3 368.566 2.155 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCN2CCC(C)CC2)[C@@H](C)C1 ZINC000247101680 549283727 /nfs/dbraw/zinc/28/37/27/549283727.db2.gz FEVHCSVGFJTVIQ-RBUKOAKNSA-N 1 3 368.566 2.155 20 0 FEADHO CCN1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248386732 549424733 /nfs/dbraw/zinc/42/47/33/549424733.db2.gz NQHPGEYODFPYPU-VQTJNVASSA-N 1 3 359.514 2.134 20 0 FEADHO CCN1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248386732 549424734 /nfs/dbraw/zinc/42/47/34/549424734.db2.gz NQHPGEYODFPYPU-VQTJNVASSA-N 1 3 359.514 2.134 20 0 FEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248790305 549502841 /nfs/dbraw/zinc/50/28/41/549502841.db2.gz XMMUSHLZGKSLDJ-MISYRCLQSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248790305 549502845 /nfs/dbraw/zinc/50/28/45/549502845.db2.gz XMMUSHLZGKSLDJ-MISYRCLQSA-N 1 3 358.530 2.490 20 0 FEADHO CC(C)CNC(=O)NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248936830 549529105 /nfs/dbraw/zinc/52/91/05/549529105.db2.gz CBIXODPOQOYKGS-YRWFTTLQSA-N 1 3 374.529 2.214 20 0 FEADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](N)C2CCOCC2)cc1 ZINC000261737300 549749698 /nfs/dbraw/zinc/74/96/98/549749698.db2.gz KGRLXAGICVWIQW-JXFKEZNVSA-N 1 3 359.514 2.431 20 0 FEADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](N)C2CCOCC2)cc1 ZINC000261737300 549749701 /nfs/dbraw/zinc/74/97/01/549749701.db2.gz KGRLXAGICVWIQW-JXFKEZNVSA-N 1 3 359.514 2.431 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cc3ccccc3[nH]c2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261926924 549770631 /nfs/dbraw/zinc/77/06/31/549770631.db2.gz VTEWSRSIIIPRLK-KXBFYZLASA-N 1 3 368.481 2.021 20 0 FEADHO Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262130877 549790786 /nfs/dbraw/zinc/79/07/86/549790786.db2.gz NUFXSWYQHSXGMH-FQEVSTJZSA-N 1 3 353.514 2.028 20 0 FEADHO COCC1(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000262355016 549813773 /nfs/dbraw/zinc/81/37/73/549813773.db2.gz JDJXMUNYQHKYND-GOSISDBHSA-N 1 3 359.514 2.126 20 0 FEADHO [NH3+]CCNC(=O)c1ccccc1NC(=O)c1cccc(CN2CCCC2)c1 ZINC000262377203 549815377 /nfs/dbraw/zinc/81/53/77/549815377.db2.gz HQKSULNNFSRHLV-UHFFFAOYSA-N 1 3 366.465 2.223 20 0 FEADHO CCCN(CCN1CCCCC1)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000490614586 561436086 /nfs/dbraw/zinc/43/60/86/561436086.db2.gz NOUVJDLDMLYVHB-UHFFFAOYSA-N 1 3 368.566 2.395 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000262623459 549833028 /nfs/dbraw/zinc/83/30/28/549833028.db2.gz AFPQNNPBLKHPKD-OALUTQOASA-N 1 3 358.530 2.141 20 0 FEADHO CCN(C(=O)[C@@H]1CN2CCN1CCC2)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000490548276 561434944 /nfs/dbraw/zinc/43/49/44/561434944.db2.gz VERRLMBEOWATRY-JBACZVJFSA-N 1 3 370.541 2.060 20 0 FEADHO CCN(C(=O)[C@@H]1CN2CCN1CCC2)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000490548276 561434945 /nfs/dbraw/zinc/43/49/45/561434945.db2.gz VERRLMBEOWATRY-JBACZVJFSA-N 1 3 370.541 2.060 20 0 FEADHO CN(c1ccccc1C[NH2+]C[C@@H](O)C1CCOCC1)C1CCN(C)CC1 ZINC000268335580 550051373 /nfs/dbraw/zinc/05/13/73/550051373.db2.gz JSDPJQRCKJSPTQ-OAQYLSRUSA-N 1 3 361.530 2.094 20 0 FEADHO CN(c1ccccc1CNC[C@@H](O)C1CCOCC1)C1CC[NH+](C)CC1 ZINC000268335580 550051376 /nfs/dbraw/zinc/05/13/76/550051376.db2.gz JSDPJQRCKJSPTQ-OAQYLSRUSA-N 1 3 361.530 2.094 20 0 FEADHO CC(C)[NH+]1CCC(O)(CNCc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000268401557 550059497 /nfs/dbraw/zinc/05/94/97/550059497.db2.gz CPEYNLKPQKCWKO-UHFFFAOYSA-N 1 3 372.412 2.342 20 0 FEADHO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C2CCN(C3CCC3)CC2)c1 ZINC000269016542 550144678 /nfs/dbraw/zinc/14/46/78/550144678.db2.gz OUHISZFPVFCTIS-AWEZNQCLSA-N 1 3 351.516 2.262 20 0 FEADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000269228272 550170033 /nfs/dbraw/zinc/17/00/33/550170033.db2.gz GHVPXCFRLZGTGI-FXAWDEMLSA-N 1 3 359.514 2.303 20 0 FEADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000269228272 550170035 /nfs/dbraw/zinc/17/00/35/550170035.db2.gz GHVPXCFRLZGTGI-FXAWDEMLSA-N 1 3 359.514 2.303 20 0 FEADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CNC[C@H]1CCCO1 ZINC000269266337 550174087 /nfs/dbraw/zinc/17/40/87/550174087.db2.gz PHHQMRWUKQAJDO-ZHALLVOQSA-N 1 3 359.514 2.028 20 0 FEADHO CC(C)[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000493382120 561455849 /nfs/dbraw/zinc/45/58/49/561455849.db2.gz DBCOGWJPQRSNOT-HXUWFJFHSA-N 1 3 358.530 2.496 20 0 FEADHO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000270972590 550327550 /nfs/dbraw/zinc/32/75/50/550327550.db2.gz CQAIMPXDQZYFKE-FQEVSTJZSA-N 1 3 359.514 2.057 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000273206015 550489693 /nfs/dbraw/zinc/48/96/93/550489693.db2.gz KPWCHKGFAXMGSS-CYBMUJFWSA-N 1 3 362.474 2.261 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)cc1 ZINC000494620745 561472749 /nfs/dbraw/zinc/47/27/49/561472749.db2.gz LVDRHPABFCBFFM-HXUWFJFHSA-N 1 3 367.493 2.461 20 0 FEADHO CC1(C)CN(C2(CNC(=O)CC[C@@H]3CCC[NH2+]3)CCCCC2)CCO1 ZINC000494645004 561473262 /nfs/dbraw/zinc/47/32/62/561473262.db2.gz BLRXEIGIZPPCFH-KRWDZBQOSA-N 1 3 351.535 2.449 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277077438 550629333 /nfs/dbraw/zinc/62/93/33/550629333.db2.gz IYAVWCCZEWLOBN-LJQANCHMSA-N 1 3 374.529 2.410 20 0 FEADHO COC[C@H](C)OC[C@H](O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000278057601 550744261 /nfs/dbraw/zinc/74/42/61/550744261.db2.gz JZXZQXPTADHNSP-JYAXBFRTSA-N 1 3 364.530 2.384 20 0 FEADHO COC[C@H](C)OC[C@H](O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000278057601 550744263 /nfs/dbraw/zinc/74/42/63/550744263.db2.gz JZXZQXPTADHNSP-JYAXBFRTSA-N 1 3 364.530 2.384 20 0 FEADHO Cc1ccc([C@H](CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)N2CCCC2)cc1 ZINC000278933460 550837620 /nfs/dbraw/zinc/83/76/20/550837620.db2.gz FJWZOICNDUAAIQ-PXNSSMCTSA-N 1 3 367.497 2.362 20 0 FEADHO C[C@H]1C[C@@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000279195257 550863706 /nfs/dbraw/zinc/86/37/06/550863706.db2.gz LYDZXKQPUYJIJN-FPOVZHCZSA-N 1 3 372.557 2.041 20 0 FEADHO C[C@H]1C[C@@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000279195257 550863708 /nfs/dbraw/zinc/86/37/08/550863708.db2.gz LYDZXKQPUYJIJN-FPOVZHCZSA-N 1 3 372.557 2.041 20 0 FEADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@H]1CCCC12CCOCC2)c1ccccc1 ZINC000282016160 551169794 /nfs/dbraw/zinc/16/97/94/551169794.db2.gz KAOUKQBSGKTAAW-OALUTQOASA-N 1 3 359.514 2.344 20 0 FEADHO COCC[C@@H](Cc1cccc(F)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282509220 551239318 /nfs/dbraw/zinc/23/93/18/551239318.db2.gz YSPXBESFMZVELV-IBGZPJMESA-N 1 3 351.510 2.389 20 0 FEADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000284032813 551471798 /nfs/dbraw/zinc/47/17/98/551471798.db2.gz IMHSJSPDLZRDBJ-SFHVURJKSA-N 1 3 365.543 2.445 20 0 FEADHO C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H](c1ccccc1)N(C)C ZINC000498610577 561530176 /nfs/dbraw/zinc/53/01/76/561530176.db2.gz QKDNVQSSSKDYIP-IEZWGBDMSA-N 1 3 364.559 2.414 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000287583767 552021942 /nfs/dbraw/zinc/02/19/42/552021942.db2.gz HODWHHMVWPDDRV-HZPDHXFCSA-N 1 3 373.419 2.178 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000288074967 552086313 /nfs/dbraw/zinc/08/63/13/552086313.db2.gz FNYPJGPCSMCVJS-IBGZPJMESA-N 1 3 365.518 2.353 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000288210584 552111193 /nfs/dbraw/zinc/11/11/93/552111193.db2.gz UJPRRKHPCONJBG-JVPBZIDWSA-N 1 3 360.502 2.080 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000288210584 552111195 /nfs/dbraw/zinc/11/11/95/552111195.db2.gz UJPRRKHPCONJBG-JVPBZIDWSA-N 1 3 360.502 2.080 20 0 FEADHO CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000289101785 552266645 /nfs/dbraw/zinc/26/66/45/552266645.db2.gz PNRWKPKYDJWGMD-UHFFFAOYSA-N 1 3 374.529 2.064 20 0 FEADHO CN1CCC(O)(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000289120123 552269021 /nfs/dbraw/zinc/26/90/21/552269021.db2.gz DKTOQNMGGKOIIL-KRWDZBQOSA-N 1 3 361.486 2.086 20 0 FEADHO CN1CCC(O)(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000289122128 552269449 /nfs/dbraw/zinc/26/94/49/552269449.db2.gz DKTOQNMGGKOIIL-QGZVFWFLSA-N 1 3 361.486 2.086 20 0 FEADHO CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000290622354 552508245 /nfs/dbraw/zinc/50/82/45/552508245.db2.gz XJFNMGXSDFCCOK-GOSISDBHSA-N 1 3 359.514 2.317 20 0 FEADHO CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000290622354 552508246 /nfs/dbraw/zinc/50/82/46/552508246.db2.gz XJFNMGXSDFCCOK-GOSISDBHSA-N 1 3 359.514 2.317 20 0 FEADHO CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000290622356 552508275 /nfs/dbraw/zinc/50/82/75/552508275.db2.gz XJFNMGXSDFCCOK-SFHVURJKSA-N 1 3 359.514 2.317 20 0 FEADHO CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@H](C2CCN(C)CC2)C1 ZINC000290622356 552508277 /nfs/dbraw/zinc/50/82/77/552508277.db2.gz XJFNMGXSDFCCOK-SFHVURJKSA-N 1 3 359.514 2.317 20 0 FEADHO CC(C)N1CCN(CCC[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)CC1 ZINC000501032580 561588215 /nfs/dbraw/zinc/58/82/15/561588215.db2.gz OTRQAYJZJDHGLV-FQEVSTJZSA-N 1 3 360.546 2.212 20 0 FEADHO CC(C)[NH+]1CCN(CCCN2CCN(Cc3cccs3)CC2)CC1 ZINC000501112109 561590320 /nfs/dbraw/zinc/59/03/20/561590320.db2.gz OWMWGVOASITSFQ-UHFFFAOYSA-N 1 3 350.576 2.282 20 0 FEADHO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000293520683 552831955 /nfs/dbraw/zinc/83/19/55/552831955.db2.gz CZTFNLDJWROMSI-SJLPKXTDSA-N 1 3 351.516 2.243 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000294496578 552910930 /nfs/dbraw/zinc/91/09/30/552910930.db2.gz IAWQBERSNZISOX-UXPWSPDFSA-N 1 3 352.494 2.456 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000294496578 552910932 /nfs/dbraw/zinc/91/09/32/552910932.db2.gz IAWQBERSNZISOX-UXPWSPDFSA-N 1 3 352.494 2.456 20 0 FEADHO CC1(C(=O)N[C@H]2CCCN(CCCO)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000295510210 553018494 /nfs/dbraw/zinc/01/84/94/553018494.db2.gz PVBPUELGUOUGTE-FQEVSTJZSA-N 1 3 373.541 2.252 20 0 FEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000503250864 561638017 /nfs/dbraw/zinc/63/80/17/561638017.db2.gz KGBFESJEFARHSC-HSALFYBXSA-N 1 3 359.514 2.003 20 0 FEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000503250864 561638018 /nfs/dbraw/zinc/63/80/18/561638018.db2.gz KGBFESJEFARHSC-HSALFYBXSA-N 1 3 359.514 2.003 20 0 FEADHO CN1CCC[C@@]2(CCN(C(=O)NCc3ccc(CC[NH+](C)C)cc3)C2)C1 ZINC000298238745 553402246 /nfs/dbraw/zinc/40/22/46/553402246.db2.gz IZFUVVMRHNTLPT-OAQYLSRUSA-N 1 3 358.530 2.418 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)N2CCCC2)cc1 ZINC000503501648 561642953 /nfs/dbraw/zinc/64/29/53/561642953.db2.gz GMGOAYFFBUMTOW-PXNSSMCTSA-N 1 3 372.513 2.368 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)N2CCCC2)cc1 ZINC000503501648 561642954 /nfs/dbraw/zinc/64/29/54/561642954.db2.gz GMGOAYFFBUMTOW-PXNSSMCTSA-N 1 3 372.513 2.368 20 0 FEADHO O[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)COc1ccc(F)c(F)c1 ZINC000298557502 553440475 /nfs/dbraw/zinc/44/04/75/553440475.db2.gz VMGHNGRZDWFHCU-INIZCTEOSA-N 1 3 363.408 2.358 20 0 FEADHO COc1cccc([C@@H](CNC(=O)N2CCC[N@H+](C)CC2)N2CCCC2)c1 ZINC000298649245 553454106 /nfs/dbraw/zinc/45/41/06/553454106.db2.gz LDCCSHOTXWPUJP-LJQANCHMSA-N 1 3 360.502 2.179 20 0 FEADHO COc1cccc([C@@H](CNC(=O)N2CCC[N@@H+](C)CC2)N2CCCC2)c1 ZINC000298649245 553454107 /nfs/dbraw/zinc/45/41/07/553454107.db2.gz LDCCSHOTXWPUJP-LJQANCHMSA-N 1 3 360.502 2.179 20 0 FEADHO CC[NH+]1CCC(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CC1 ZINC000299601383 553587228 /nfs/dbraw/zinc/58/72/28/553587228.db2.gz FZGXYLPHLVNBSI-UHFFFAOYSA-N 1 3 358.530 2.431 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000299710796 553605290 /nfs/dbraw/zinc/60/52/90/553605290.db2.gz IHTKJRXCDBWOKT-APWZRJJASA-N 1 3 373.497 2.163 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000299710796 553605292 /nfs/dbraw/zinc/60/52/92/553605292.db2.gz IHTKJRXCDBWOKT-APWZRJJASA-N 1 3 373.497 2.163 20 0 FEADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000504752780 561661905 /nfs/dbraw/zinc/66/19/05/561661905.db2.gz AIPVQALQNRMDQV-QGZVFWFLSA-N 1 3 363.502 2.126 20 0 FEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000504816397 561662604 /nfs/dbraw/zinc/66/26/04/561662604.db2.gz CSWSQMNRBXSQGU-GOSISDBHSA-N 1 3 352.567 2.029 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)cc2)CC1 ZINC000505532019 561673460 /nfs/dbraw/zinc/67/34/60/561673460.db2.gz AXWJISAIJRNGQE-QFIPXVFZSA-N 1 3 370.541 2.386 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc2)CC1 ZINC000505532019 561673461 /nfs/dbraw/zinc/67/34/61/561673461.db2.gz AXWJISAIJRNGQE-QFIPXVFZSA-N 1 3 370.541 2.386 20 0 FEADHO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000332984817 554554117 /nfs/dbraw/zinc/55/41/17/554554117.db2.gz BJBMFWJRJYKVIT-KZNAEPCWSA-N 1 3 357.498 2.479 20 0 FEADHO O[C@H]1CCCC[C@H]1N1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000333014239 554558844 /nfs/dbraw/zinc/55/88/44/554558844.db2.gz BTQSSMCVJXOJFT-RTWAWAEBSA-N 1 3 358.530 2.408 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c2)CC1 ZINC000333342308 554604498 /nfs/dbraw/zinc/60/44/98/554604498.db2.gz PXNQDZCPOGMVEX-DBVUQKKJSA-N 1 3 371.529 2.420 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CN1Cc1ccccc1 ZINC000333356689 554605628 /nfs/dbraw/zinc/60/56/28/554605628.db2.gz KKHXXLSZCZRIJR-DABHTEOTSA-N 1 3 356.514 2.418 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CN1Cc1ccccc1 ZINC000333356692 554605783 /nfs/dbraw/zinc/60/57/83/554605783.db2.gz KKHXXLSZCZRIJR-ZKIDJSGLSA-N 1 3 356.514 2.418 20 0 FEADHO C[C@@H]1CN(C(=O)NCC2(N3CCSCC3)CCCCC2)CC[C@H]1[NH3+] ZINC000333401751 554609616 /nfs/dbraw/zinc/60/96/16/554609616.db2.gz QASRZLZEIHHXTG-HZPDHXFCSA-N 1 3 354.564 2.117 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCN1Cc1ccccc1 ZINC000333442190 554613839 /nfs/dbraw/zinc/61/38/39/554613839.db2.gz WGSDGXYEJUJHFA-HKUYMTLNSA-N 1 3 356.514 2.418 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333561258 554624002 /nfs/dbraw/zinc/62/40/02/554624002.db2.gz LITNUYUTDAKILK-UHFFFAOYSA-N 1 3 357.502 2.083 20 0 FEADHO Cc1cc(C)c(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000333813331 554645739 /nfs/dbraw/zinc/64/57/39/554645739.db2.gz IMFPCVBACZNISP-UHFFFAOYSA-N 1 3 359.518 2.056 20 0 FEADHO C[C@H](CNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)N1CCC[C@@H](C)C1 ZINC000333908894 554654829 /nfs/dbraw/zinc/65/48/29/554654829.db2.gz DLJDHNFWDMFBJH-RWQQGDIJSA-N 1 3 366.550 2.035 20 0 FEADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000333932970 554657745 /nfs/dbraw/zinc/65/77/45/554657745.db2.gz HIODELZPTYLYFU-HOTGVXAUSA-N 1 3 354.564 2.117 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333944717 554659168 /nfs/dbraw/zinc/65/91/68/554659168.db2.gz SGBPLUBPKFTKEO-GVDBMIGSSA-N 1 3 366.575 2.035 20 0 FEADHO COCC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000511478560 561870479 /nfs/dbraw/zinc/87/04/79/561870479.db2.gz YABNXZPGVDJZAF-SFHVURJKSA-N 1 3 368.566 2.295 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000362622658 554976504 /nfs/dbraw/zinc/97/65/04/554976504.db2.gz OJHQLFKHNSBMRV-IBGZPJMESA-N 1 3 358.530 2.429 20 0 FEADHO CCN1CCN(CCC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000362671241 554979644 /nfs/dbraw/zinc/97/96/44/554979644.db2.gz VLNBSDCXHDCZJR-WOJBJXKFSA-N 1 3 364.578 2.127 20 0 FEADHO CCN1CCN(CCC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000362671241 554979646 /nfs/dbraw/zinc/97/96/46/554979646.db2.gz VLNBSDCXHDCZJR-WOJBJXKFSA-N 1 3 364.578 2.127 20 0 FEADHO CCN(C(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000362719840 554983745 /nfs/dbraw/zinc/98/37/45/554983745.db2.gz OWXLZJRZGCJIHS-FQEVSTJZSA-N 1 3 364.578 2.268 20 0 FEADHO CC1(C)CC(NC(=O)c2cnn(CCN3CCCCC3)c2)CC(C)(C)[NH2+]1 ZINC000363117167 555034138 /nfs/dbraw/zinc/03/41/38/555034138.db2.gz UJUNRFXFDWZNBS-UHFFFAOYSA-N 1 3 361.534 2.408 20 0 FEADHO Cc1nc(-c2ccncc2)nc(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000363537293 555131135 /nfs/dbraw/zinc/13/11/35/555131135.db2.gz WQTNJEFMGQIYEE-GOSISDBHSA-N 1 3 366.513 2.158 20 0 FEADHO CC1CC[NH+](CCNC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 ZINC000364161917 555261109 /nfs/dbraw/zinc/26/11/09/555261109.db2.gz QPCMYJVIWVWSHJ-PMACEKPBSA-N 1 3 373.545 2.448 20 0 FEADHO C[C@H](N[C@H]1CCN(c2ccn(C)n2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364346845 555295862 /nfs/dbraw/zinc/29/58/62/555295862.db2.gz JOOCGQURAGLGRE-SXLOBPIMSA-N 1 3 353.514 2.499 20 0 FEADHO C[C@H](N[C@H]1CCN(c2ccn(C)n2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364346845 555295864 /nfs/dbraw/zinc/29/58/64/555295864.db2.gz JOOCGQURAGLGRE-SXLOBPIMSA-N 1 3 353.514 2.499 20 0 FEADHO C[C@@H](O)C[C@@H]1CCCCCN1C[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512443990 561905149 /nfs/dbraw/zinc/90/51/49/561905149.db2.gz JMTPVKHASZDGRX-HGJUEJDCSA-N 1 3 370.578 2.378 20 0 FEADHO C[C@@H](O)C[C@@H]1CCCCCN1C[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512443990 561905150 /nfs/dbraw/zinc/90/51/50/561905150.db2.gz JMTPVKHASZDGRX-HGJUEJDCSA-N 1 3 370.578 2.378 20 0 FEADHO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1C[C@H](O)CN1CCCCC[C@H]1C[C@H](C)O ZINC000512443990 561905151 /nfs/dbraw/zinc/90/51/51/561905151.db2.gz JMTPVKHASZDGRX-HGJUEJDCSA-N 1 3 370.578 2.378 20 0 FEADHO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1C[C@H](O)CN1CCCCC[C@H]1C[C@H](C)O ZINC000512443990 561905152 /nfs/dbraw/zinc/90/51/52/561905152.db2.gz JMTPVKHASZDGRX-HGJUEJDCSA-N 1 3 370.578 2.378 20 0 FEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000365163387 555499140 /nfs/dbraw/zinc/49/91/40/555499140.db2.gz TXELLCNFWFTXMC-MOPGFXCFSA-N 1 3 367.497 2.154 20 0 FEADHO C[C@H](C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CCCCCC1 ZINC000365484796 555587766 /nfs/dbraw/zinc/58/77/66/555587766.db2.gz NGXBDSFMAQOWKF-YRXWBPOGSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CCCCCC1 ZINC000365484796 555587768 /nfs/dbraw/zinc/58/77/68/555587768.db2.gz NGXBDSFMAQOWKF-YRXWBPOGSA-N 1 3 351.535 2.257 20 0 FEADHO O=C(CN1CC[C@H]([C@H]2CCOC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000366660144 555901734 /nfs/dbraw/zinc/90/17/34/555901734.db2.gz YREJPUSWDAYTRG-SFTDATJTSA-N 1 3 371.525 2.257 20 0 FEADHO CC[N@H+](CCC1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)CC1)CC1CC1 ZINC000514122297 561961231 /nfs/dbraw/zinc/96/12/31/561961231.db2.gz GWSHDRXVBBZGMV-LJQANCHMSA-N 1 3 371.591 2.102 20 0 FEADHO CC[N@@H+](CCC1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)CC1)CC1CC1 ZINC000514122297 561961232 /nfs/dbraw/zinc/96/12/32/561961232.db2.gz GWSHDRXVBBZGMV-LJQANCHMSA-N 1 3 371.591 2.102 20 0 FEADHO CC[N@H+](CCC1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)CC1)CC(C)C ZINC000514137832 561961477 /nfs/dbraw/zinc/96/14/77/561961477.db2.gz IBRHUCZCBQLWIK-LJQANCHMSA-N 1 3 373.607 2.348 20 0 FEADHO CC[N@@H+](CCC1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)CC1)CC(C)C ZINC000514137832 561961479 /nfs/dbraw/zinc/96/14/79/561961479.db2.gz IBRHUCZCBQLWIK-LJQANCHMSA-N 1 3 373.607 2.348 20 0 FEADHO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCCN3CCc4ccccc4C3)C[C@@H]21 ZINC000367591308 556091872 /nfs/dbraw/zinc/09/18/72/556091872.db2.gz WMOYAVZOOLKARB-ICSRJNTNSA-N 1 3 356.514 2.170 20 0 FEADHO C[N@H+]1CC[C@H]2CCN(C(=O)NCCCN3CCc4ccccc4C3)C[C@@H]21 ZINC000367591308 556091873 /nfs/dbraw/zinc/09/18/73/556091873.db2.gz WMOYAVZOOLKARB-ICSRJNTNSA-N 1 3 356.514 2.170 20 0 FEADHO COCCN(CCOC)C1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000367600961 556094555 /nfs/dbraw/zinc/09/45/55/556094555.db2.gz CVMAMYCJPXSTTF-UHFFFAOYSA-N 1 3 372.513 2.432 20 0 FEADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000367618167 556098256 /nfs/dbraw/zinc/09/82/56/556098256.db2.gz RVDHWCQBYCOYSE-FUHWJXTLSA-N 1 3 351.514 2.488 20 0 FEADHO [NH3+]CCCCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000515057632 561994537 /nfs/dbraw/zinc/99/45/37/561994537.db2.gz KCJFMNNUNRVUSW-UHFFFAOYSA-N 1 3 353.894 2.428 20 0 FEADHO C[N@H+](CCCNC(=O)N1CCCN(CC(C)(C)O)CC1)C1CCCCC1 ZINC000368695317 556388309 /nfs/dbraw/zinc/38/83/09/556388309.db2.gz BCJVTKRPXLURFY-UHFFFAOYSA-N 1 3 368.566 2.129 20 0 FEADHO C[N@@H+](CCCNC(=O)N1CCCN(CC(C)(C)O)CC1)C1CCCCC1 ZINC000368695317 556388310 /nfs/dbraw/zinc/38/83/10/556388310.db2.gz BCJVTKRPXLURFY-UHFFFAOYSA-N 1 3 368.566 2.129 20 0 FEADHO CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000368717763 556396553 /nfs/dbraw/zinc/39/65/53/556396553.db2.gz ZHQPTPAWIKCBOJ-GOSISDBHSA-N 1 3 359.518 2.029 20 0 FEADHO CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000368717763 556396556 /nfs/dbraw/zinc/39/65/56/556396556.db2.gz ZHQPTPAWIKCBOJ-GOSISDBHSA-N 1 3 359.518 2.029 20 0 FEADHO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc(Oc4cnccn4)cc3)C2)nn1 ZINC000515615155 562017250 /nfs/dbraw/zinc/01/72/50/562017250.db2.gz UXESGJPNIKCSRF-KRWDZBQOSA-N 1 3 365.441 2.156 20 0 FEADHO CCN(CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000369278341 556561720 /nfs/dbraw/zinc/56/17/20/556561720.db2.gz QSUZRTWUVGEKJC-CTNGQTDRSA-N 1 3 372.557 2.354 20 0 FEADHO CCN(CC)[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000369278341 556561726 /nfs/dbraw/zinc/56/17/26/556561726.db2.gz QSUZRTWUVGEKJC-CTNGQTDRSA-N 1 3 372.557 2.354 20 0 FEADHO CCN(CC)[C@H](C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369278341 556561727 /nfs/dbraw/zinc/56/17/27/556561727.db2.gz QSUZRTWUVGEKJC-CTNGQTDRSA-N 1 3 372.557 2.354 20 0 FEADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369404129 556592820 /nfs/dbraw/zinc/59/28/20/556592820.db2.gz YCCQNZWZIXOSLQ-GUDVDZBRSA-N 1 3 368.566 2.105 20 0 FEADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369404129 556592822 /nfs/dbraw/zinc/59/28/22/556592822.db2.gz YCCQNZWZIXOSLQ-GUDVDZBRSA-N 1 3 368.566 2.105 20 0 FEADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000369743566 556683245 /nfs/dbraw/zinc/68/32/45/556683245.db2.gz MKYBPSHDXBYZMD-FQEVSTJZSA-N 1 3 373.545 2.214 20 0 FEADHO CC(=O)Nc1ccccc1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000369892130 556722521 /nfs/dbraw/zinc/72/25/21/556722521.db2.gz JEAWDRGPQDAQRE-UHFFFAOYSA-N 1 3 358.530 2.495 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000370057295 556769315 /nfs/dbraw/zinc/76/93/15/556769315.db2.gz LSABMGNYOTYYCN-LJQANCHMSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CNCCC1(F)F ZINC000516634542 562051903 /nfs/dbraw/zinc/05/19/03/562051903.db2.gz NMZUEBQEPZFUDR-HYVNUMGLSA-N 1 3 366.456 2.193 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CNCCC1(F)F ZINC000516634542 562051904 /nfs/dbraw/zinc/05/19/04/562051904.db2.gz NMZUEBQEPZFUDR-HYVNUMGLSA-N 1 3 366.456 2.193 20 0 FEADHO CCN1CCc2c(cccc2NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000370707272 556945422 /nfs/dbraw/zinc/94/54/22/556945422.db2.gz HUPUOJSFDFGNMH-HNNXBMFYSA-N 1 3 374.529 2.096 20 0 FEADHO CSC1(CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CCN(C)CC1 ZINC000516943502 562066359 /nfs/dbraw/zinc/06/63/59/562066359.db2.gz XQGLIVOSOAGQGB-MRXNPFEDSA-N 1 3 356.580 2.091 20 0 FEADHO CSC1(CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CCN(C)CC1 ZINC000516943502 562066360 /nfs/dbraw/zinc/06/63/60/562066360.db2.gz XQGLIVOSOAGQGB-MRXNPFEDSA-N 1 3 356.580 2.091 20 0 FEADHO [NH3+][C@H](CC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000371280956 557130044 /nfs/dbraw/zinc/13/00/44/557130044.db2.gz SVZYGGDQWSYDFL-UYAOXDASSA-N 1 3 352.482 2.500 20 0 FEADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000517412579 562089369 /nfs/dbraw/zinc/08/93/69/562089369.db2.gz AOGYLELVFQOGDO-WOJBJXKFSA-N 1 3 356.514 2.380 20 0 FEADHO C[C@H](C(=O)N(C)Cc1ccccc1)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371306787 557139547 /nfs/dbraw/zinc/13/95/47/557139547.db2.gz XWMORQPYHXTCLI-WIYYLYMNSA-N 1 3 372.557 2.134 20 0 FEADHO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(CN4CCC(CO)CC4)cc3)C[C@@H]21 ZINC000371553820 557220317 /nfs/dbraw/zinc/22/03/17/557220317.db2.gz NJYNDWORHVCNEY-FPOVZHCZSA-N 1 3 371.525 2.057 20 0 FEADHO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(CN4CCC(CO)CC4)cc3)C[C@@H]21 ZINC000371553820 557220321 /nfs/dbraw/zinc/22/03/21/557220321.db2.gz NJYNDWORHVCNEY-FPOVZHCZSA-N 1 3 371.525 2.057 20 0 FEADHO C[C@H]1CN(CCc2nc3ccccc3n2C)CC[N@@H+]1C1CCN(C)CC1 ZINC000371691519 557264429 /nfs/dbraw/zinc/26/44/29/557264429.db2.gz AUTGIGVHIWAYPC-KRWDZBQOSA-N 1 3 355.530 2.216 20 0 FEADHO C[C@H]1CN(CCc2nc3ccccc3n2C)CC[N@H+]1C1CCN(C)CC1 ZINC000371691519 557264433 /nfs/dbraw/zinc/26/44/33/557264433.db2.gz AUTGIGVHIWAYPC-KRWDZBQOSA-N 1 3 355.530 2.216 20 0 FEADHO C[C@H]1CN(CCc2nc3ccccc3n2C)CCN1C1CC[NH+](C)CC1 ZINC000371691519 557264436 /nfs/dbraw/zinc/26/44/36/557264436.db2.gz AUTGIGVHIWAYPC-KRWDZBQOSA-N 1 3 355.530 2.216 20 0 FEADHO C[C@H](N[C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000517942385 562101114 /nfs/dbraw/zinc/10/11/14/562101114.db2.gz ILCHQVZSPHWTOC-OEMYIYORSA-N 1 3 372.557 2.132 20 0 FEADHO Cn1cc(N2CC[C@@H](NC3CC[NH+](CCc4ccccc4)CC3)C2)cn1 ZINC000372046238 557365737 /nfs/dbraw/zinc/36/57/37/557365737.db2.gz KFGJWPBGLRGFEG-HXUWFJFHSA-N 1 3 353.514 2.296 20 0 FEADHO CC[C@]1(C(=O)Nc2ccc(NC(=O)NC3CCN(C)CC3)cc2)CC[NH2+]C1 ZINC000372190623 557404138 /nfs/dbraw/zinc/40/41/38/557404138.db2.gz BRVHQOOWGCPVLN-FQEVSTJZSA-N 1 3 373.501 2.231 20 0 FEADHO CC(C)N(C(=O)[C@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000372367725 557452023 /nfs/dbraw/zinc/45/20/23/557452023.db2.gz HNUFWUAFBMOWTB-PKOBYXMFSA-N 1 3 352.567 2.121 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C)[C@@H](OC)C3)CC2)CC1 ZINC000519178731 562126713 /nfs/dbraw/zinc/12/67/13/562126713.db2.gz NKQNROVGZLKJIV-APWZRJJASA-N 1 3 351.535 2.066 20 0 FEADHO C[C@@H](CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[N@H+](C)C1CC1 ZINC000372541699 557498528 /nfs/dbraw/zinc/49/85/28/557498528.db2.gz AFQKFFOAACOJJU-IEZWGBDMSA-N 1 3 359.518 2.199 20 0 FEADHO C[C@@H](CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[N@@H+](C)C1CC1 ZINC000372541699 557498530 /nfs/dbraw/zinc/49/85/30/557498530.db2.gz AFQKFFOAACOJJU-IEZWGBDMSA-N 1 3 359.518 2.199 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1)c1ccccc1 ZINC000519650341 562138592 /nfs/dbraw/zinc/13/85/92/562138592.db2.gz XLSWRONUEUCGGX-SLFFLAALSA-N 1 3 359.514 2.297 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1[C@H]1CCCOC1)c1ccccc1 ZINC000519650341 562138593 /nfs/dbraw/zinc/13/85/93/562138593.db2.gz XLSWRONUEUCGGX-SLFFLAALSA-N 1 3 359.514 2.297 20 0 FEADHO CN1CCN(CCCCNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000519867735 562147167 /nfs/dbraw/zinc/14/71/67/562147167.db2.gz MNEANNVUXHKZSQ-HXUWFJFHSA-N 1 3 373.545 2.385 20 0 FEADHO CN1CC[C@H](CNC(=O)c2csc(CC[NH3+])n2)[C@@H]1c1cccs1 ZINC000373518445 557709867 /nfs/dbraw/zinc/70/98/67/557709867.db2.gz YDMJBTIPAJCOJZ-IAQYHMDHSA-N 1 3 350.513 2.129 20 0 FEADHO C[C@@H](CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)[NH+]1CCC(C)CC1 ZINC000373553384 557717039 /nfs/dbraw/zinc/71/70/39/557717039.db2.gz COJXWZXKPFTXTP-IHPCNDPISA-N 1 3 373.545 2.494 20 0 FEADHO CN1CCN(CC2(C)CC[NH+](CC3CCC4(CC3)OCCO4)CC2)CC1 ZINC000373814086 557765258 /nfs/dbraw/zinc/76/52/58/557765258.db2.gz HBTPUMDEQDPPHN-UHFFFAOYSA-N 1 3 365.562 2.269 20 0 FEADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000520761752 562163000 /nfs/dbraw/zinc/16/30/00/562163000.db2.gz HLDAVZZOKVZFHL-MAUKXSAKSA-N 1 3 362.543 2.397 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000520783555 562163599 /nfs/dbraw/zinc/16/35/99/562163599.db2.gz GJDXCNAKCQBTOR-KRWDZBQOSA-N 1 3 368.566 2.297 20 0 FEADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000374191404 557841110 /nfs/dbraw/zinc/84/11/10/557841110.db2.gz AFQAQUFOUTYLIM-FPOVZHCZSA-N 1 3 358.530 2.492 20 0 FEADHO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1-n1cncn1 ZINC000374254711 557851656 /nfs/dbraw/zinc/85/16/56/557851656.db2.gz NGIRHEOFAPZDDN-UYAOXDASSA-N 1 3 368.529 2.034 20 0 FEADHO Cc1nc(CO[C@@H]2CC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)cs1 ZINC000374905037 557948970 /nfs/dbraw/zinc/94/89/70/557948970.db2.gz ZTBPDDYRLVYSCQ-LJQANCHMSA-N 1 3 366.575 2.459 20 0 FEADHO Cc1nc(CO[C@@H]2CC[N@H+](CCCN3CCN(C(C)C)CC3)C2)cs1 ZINC000374905037 557948972 /nfs/dbraw/zinc/94/89/72/557948972.db2.gz ZTBPDDYRLVYSCQ-LJQANCHMSA-N 1 3 366.575 2.459 20 0 FEADHO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000521253307 562173112 /nfs/dbraw/zinc/17/31/12/562173112.db2.gz XPKRUMVVOHKSLD-RXVVDRJESA-N 1 3 370.541 2.188 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCN3CCC2CC3)cc1 ZINC000375164000 557986034 /nfs/dbraw/zinc/98/60/34/557986034.db2.gz CQNCUUDXSLPWDO-UHFFFAOYSA-N 1 3 374.529 2.397 20 0 FEADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000375493821 558037181 /nfs/dbraw/zinc/03/71/81/558037181.db2.gz JJZBYNUFKLMITM-GUDVDZBRSA-N 1 3 368.566 2.249 20 0 FEADHO CN(C)CCOC1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000522318877 562197046 /nfs/dbraw/zinc/19/70/46/562197046.db2.gz YGPCAMAXHMQOQQ-UHFFFAOYSA-N 1 3 354.539 2.002 20 0 FEADHO Cc1ccccc1-n1cc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)nn1 ZINC000377628098 558380659 /nfs/dbraw/zinc/38/06/59/558380659.db2.gz NZNROKROOAPXSI-HXUWFJFHSA-N 1 3 368.529 2.176 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(Br)c[nH]1 ZINC000523483843 562213972 /nfs/dbraw/zinc/21/39/72/562213972.db2.gz DLGLKDYGCIOLMA-CQSZACIVSA-N 1 3 371.323 2.265 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(Br)c[nH]1 ZINC000523483843 562213973 /nfs/dbraw/zinc/21/39/73/562213973.db2.gz DLGLKDYGCIOLMA-CQSZACIVSA-N 1 3 371.323 2.265 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1CN(C)C ZINC000411270341 558864750 /nfs/dbraw/zinc/86/47/50/558864750.db2.gz XFMNRJVVBMQGBX-YQQQUEKLSA-N 1 3 372.513 2.127 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1CN(C)C ZINC000411270341 558864752 /nfs/dbraw/zinc/86/47/52/558864752.db2.gz XFMNRJVVBMQGBX-YQQQUEKLSA-N 1 3 372.513 2.127 20 0 FEADHO Cc1cc(NC(=O)C(=O)N2CCCC23CCN(C)CC3)ccc1C[NH+](C)C ZINC000411413230 558890167 /nfs/dbraw/zinc/89/01/67/558890167.db2.gz CTZRAUXBHGLDMH-UHFFFAOYSA-N 1 3 372.513 2.082 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000411478776 558901892 /nfs/dbraw/zinc/90/18/92/558901892.db2.gz SRGPZVICLOPXGN-INIZCTEOSA-N 1 3 369.513 2.432 20 0 FEADHO CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411518387 558909334 /nfs/dbraw/zinc/90/93/34/558909334.db2.gz IMAMVHUVUPGIMA-UHFFFAOYSA-N 1 3 374.529 2.330 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN(C)C2CCN(c3ccccc3)CC2)CC1 ZINC000411672756 558940859 /nfs/dbraw/zinc/94/08/59/558940859.db2.gz VZZNOTZDVVJJDU-UHFFFAOYSA-N 1 3 358.530 2.188 20 0 FEADHO CCc1c(NC(=O)N(CCN(C)C)CC[NH+](C)C)cnn1-c1ccccc1 ZINC000525972352 562261817 /nfs/dbraw/zinc/26/18/17/562261817.db2.gz KJUXTDIROBFBTO-UHFFFAOYSA-N 1 3 372.517 2.392 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000525885330 562258468 /nfs/dbraw/zinc/25/84/68/562258468.db2.gz ZSNXRJBXOQVEHJ-UHFFFAOYSA-N 1 3 363.506 2.360 20 0 FEADHO CC(C)[NH+]1CCC(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC000412779898 559055689 /nfs/dbraw/zinc/05/56/89/559055689.db2.gz NWOBNTHNLGTWHB-UHFFFAOYSA-N 1 3 373.541 2.250 20 0 FEADHO CCN1CC[C@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000413869912 559136256 /nfs/dbraw/zinc/13/62/56/559136256.db2.gz ZGEPAXYKTSDKNC-AABGKKOBSA-N 1 3 356.514 2.244 20 0 FEADHO CCN1CC[C@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000413869912 559136258 /nfs/dbraw/zinc/13/62/58/559136258.db2.gz ZGEPAXYKTSDKNC-AABGKKOBSA-N 1 3 356.514 2.244 20 0 FEADHO C[N@@H+]1CCC[C@H](CCN[C@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000414184726 559151937 /nfs/dbraw/zinc/15/19/37/559151937.db2.gz OFGOICFQKDOGGM-KDOFPFPSSA-N 1 3 351.516 2.033 20 0 FEADHO C[N@H+]1CCC[C@H](CCN[C@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000414184726 559151938 /nfs/dbraw/zinc/15/19/38/559151938.db2.gz OFGOICFQKDOGGM-KDOFPFPSSA-N 1 3 351.516 2.033 20 0 FEADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1CCCOC1 ZINC000414335696 559157124 /nfs/dbraw/zinc/15/71/24/559157124.db2.gz HPZPMWVSIQFAGH-OXQOHEQNSA-N 1 3 359.514 2.289 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000414693968 559180197 /nfs/dbraw/zinc/18/01/97/559180197.db2.gz SIZBXTMVMNIEKA-MRXNPFEDSA-N 1 3 360.502 2.115 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000414693968 559180198 /nfs/dbraw/zinc/18/01/98/559180198.db2.gz SIZBXTMVMNIEKA-MRXNPFEDSA-N 1 3 360.502 2.115 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000414698819 559180575 /nfs/dbraw/zinc/18/05/75/559180575.db2.gz XYZVNWGSADCJGG-MRXNPFEDSA-N 1 3 360.502 2.115 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000414698819 559180576 /nfs/dbraw/zinc/18/05/76/559180576.db2.gz XYZVNWGSADCJGG-MRXNPFEDSA-N 1 3 360.502 2.115 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)c(C)c2)CC1 ZINC000414728388 559182838 /nfs/dbraw/zinc/18/28/38/559182838.db2.gz BPNONJCNRVZTNR-MRXNPFEDSA-N 1 3 369.460 2.241 20 0 FEADHO C[C@@H]1C[C@@H](CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414740990 559183849 /nfs/dbraw/zinc/18/38/49/559183849.db2.gz ROOQFDBMWHBAOO-CVEARBPZSA-N 1 3 364.921 2.284 20 0 FEADHO C[C@H]1C[C@H](CN2CCN(Cc3nc(-c4cccs4)no3)CC2)CC[NH2+]1 ZINC000414746431 559184389 /nfs/dbraw/zinc/18/43/89/559184389.db2.gz ZAHXSTQFGFPPEX-LSDHHAIUSA-N 1 3 361.515 2.304 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(c3ncccc3Cl)CC2)C1 ZINC000414747147 559184423 /nfs/dbraw/zinc/18/44/23/559184423.db2.gz SYMBLUMEZYHYDX-AWEZNQCLSA-N 1 3 350.894 2.112 20 0 FEADHO C[C@H]1C[C@@H](CN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414761370 559185878 /nfs/dbraw/zinc/18/58/78/559185878.db2.gz SWDUULOBVOREEE-HOTGVXAUSA-N 1 3 364.921 2.284 20 0 FEADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414826639 559189655 /nfs/dbraw/zinc/18/96/55/559189655.db2.gz WEBYLGDLCUPGNE-HNNXBMFYSA-N 1 3 360.502 2.101 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000414853834 559190974 /nfs/dbraw/zinc/19/09/74/559190974.db2.gz TZOTVVWUFSRIQH-QAPCUYQASA-N 1 3 367.534 2.064 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000414853833 559190999 /nfs/dbraw/zinc/19/09/99/559190999.db2.gz TZOTVVWUFSRIQH-MAUKXSAKSA-N 1 3 367.534 2.064 20 0 FEADHO CCOc1cc(CNCCN2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000414870391 559191883 /nfs/dbraw/zinc/19/18/83/559191883.db2.gz SKVNNGGAVRXEFC-UHFFFAOYSA-N 1 3 361.408 2.021 20 0 FEADHO COc1cc(CNCCN2CC[NH2+]CC2)ccc1OCc1cccs1 ZINC000414869535 559192011 /nfs/dbraw/zinc/19/20/11/559192011.db2.gz RAKFKQYCDYNMMP-UHFFFAOYSA-N 1 3 361.511 2.331 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000414971941 559198255 /nfs/dbraw/zinc/19/82/55/559198255.db2.gz JASFKMANXTUANE-NXHRZFHOSA-N 1 3 370.463 2.248 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415064367 559203239 /nfs/dbraw/zinc/20/32/39/559203239.db2.gz CJRFEYUEPFUHCD-ROUUACIJSA-N 1 3 374.554 2.351 20 0 FEADHO Cc1cc(C)c(CN2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1C ZINC000415134024 559207348 /nfs/dbraw/zinc/20/73/48/559207348.db2.gz DGCLPDPMZXRFGD-WOJBJXKFSA-N 1 3 356.514 2.332 20 0 FEADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000415161744 559210334 /nfs/dbraw/zinc/21/03/34/559210334.db2.gz VQDWFEUCVLBZOA-DNVCBOLYSA-N 1 3 368.481 2.152 20 0 FEADHO CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415426725 559235173 /nfs/dbraw/zinc/23/51/73/559235173.db2.gz MFUYFGIGLHDFTA-IBGZPJMESA-N 1 3 374.529 2.143 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000415711433 559264537 /nfs/dbraw/zinc/26/45/37/559264537.db2.gz NOHNAGWZZFHMEW-UHFFFAOYSA-N 1 3 374.529 2.097 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000415932168 559283117 /nfs/dbraw/zinc/28/31/17/559283117.db2.gz CUGLLONXURIBBX-UHFFFAOYSA-N 1 3 364.490 2.035 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415966336 559285753 /nfs/dbraw/zinc/28/57/53/559285753.db2.gz GJOMEMMYCNDWEJ-OAHLLOKOSA-N 1 3 374.407 2.396 20 0 FEADHO [NH3+]Cc1cc(NC(=O)N[C@H]2CCCN(CCCO)C2)cc(C(F)(F)F)c1 ZINC000415967222 559285771 /nfs/dbraw/zinc/28/57/71/559285771.db2.gz HITPORFMEKRFLL-AWEZNQCLSA-N 1 3 374.407 2.132 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)Nc3ccc(C[NH3+])cc3)CC2)C[C@H](C)O1 ZINC000415980936 559286805 /nfs/dbraw/zinc/28/68/05/559286805.db2.gz UCPJTJCXYZGGIO-IYBDPMFKSA-N 1 3 360.502 2.498 20 0 FEADHO CC[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)N1CCc2ccccc2C1 ZINC000415990906 559287591 /nfs/dbraw/zinc/28/75/91/559287591.db2.gz DUDUXCGJFIPLAE-HOTGVXAUSA-N 1 3 372.435 2.402 20 0 FEADHO [NH3+]CC[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C(F)(F)F ZINC000415994025 559287720 /nfs/dbraw/zinc/28/77/20/559287720.db2.gz KARPLYNDZBWYNB-GJZGRUSLSA-N 1 3 358.408 2.402 20 0 FEADHO CCc1ccc([C@@H](CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)N(C)C)cc1 ZINC000416848892 559335070 /nfs/dbraw/zinc/33/50/70/559335070.db2.gz XHYXJRDXHOGDCY-HZPDHXFCSA-N 1 3 354.445 2.148 20 0 FEADHO CN(CCCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)Cc1ccccc1 ZINC000416866600 559335855 /nfs/dbraw/zinc/33/58/55/559335855.db2.gz BFJJSJVIBQHEGM-UXHICEINSA-N 1 3 374.529 2.046 20 0 FEADHO O=C(NCc1ccccc1CN1CCCCC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000416901833 559337194 /nfs/dbraw/zinc/33/71/94/559337194.db2.gz KNOIWWAEBQGPKU-WOJBJXKFSA-N 1 3 356.514 2.423 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(OC)c1 ZINC000416905691 559337465 /nfs/dbraw/zinc/33/74/65/559337465.db2.gz GPZKFBJKTTXAFO-KFKAGJAMSA-N 1 3 362.518 2.375 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1cccc(OC)c1 ZINC000416924083 559338623 /nfs/dbraw/zinc/33/86/23/559338623.db2.gz OLWNIHGYKGSJGQ-AYOQOUSVSA-N 1 3 362.518 2.375 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000416970006 559340972 /nfs/dbraw/zinc/34/09/72/559340972.db2.gz CYZGZLUAXAENCX-UYAOXDASSA-N 1 3 356.514 2.353 20 0 FEADHO CC[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)N1CCc2ccccc2C1 ZINC000417005663 559343418 /nfs/dbraw/zinc/34/34/18/559343418.db2.gz DUYRQJVYVAUHQO-CVEARBPZSA-N 1 3 354.445 2.105 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+])c1ccsc1 ZINC000417008263 559343455 /nfs/dbraw/zinc/34/34/55/559343455.db2.gz LYPJCUXCIBDICN-GVDBMIGSSA-N 1 3 368.547 2.279 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417014618 559343929 /nfs/dbraw/zinc/34/39/29/559343929.db2.gz DOIOLEBTZHYDRJ-VQTJNVASSA-N 1 3 356.514 2.122 20 0 FEADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NCC1(N2CCSCC2)CCCC1 ZINC000417093212 559347351 /nfs/dbraw/zinc/34/73/51/559347351.db2.gz BEUJGVPDIQHGFM-INIZCTEOSA-N 1 3 354.564 2.179 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000417122880 559348786 /nfs/dbraw/zinc/34/87/86/559348786.db2.gz YIDOKROQCBETHG-UHFFFAOYSA-N 1 3 366.575 2.133 20 0 FEADHO C[C@@H]1NCCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@H]1C ZINC000417363419 559359237 /nfs/dbraw/zinc/35/92/37/559359237.db2.gz KLGPBOFNHWQOQX-JYJNAYRXSA-N 1 3 350.532 2.352 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417362774 559359304 /nfs/dbraw/zinc/35/93/04/559359304.db2.gz JXDGUGCIFYWLGG-QFBILLFUSA-N 1 3 362.543 2.355 20 0 FEADHO CCN(CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000417430298 559361893 /nfs/dbraw/zinc/36/18/93/559361893.db2.gz PDMOTNXCNCMVQJ-MAUKXSAKSA-N 1 3 366.456 2.194 20 0 FEADHO COCCCN1CCC(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000417443276 559362548 /nfs/dbraw/zinc/36/25/48/559362548.db2.gz XVJFLGRZDCSRQA-MJGOQNOKSA-N 1 3 366.550 2.051 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000417515870 559365609 /nfs/dbraw/zinc/36/56/09/559365609.db2.gz MFSSVIFSGUHXHB-CTNGQTDRSA-N 1 3 374.529 2.091 20 0 FEADHO CN(C)C1(CNC(=O)N(CC[NH3+])Cc2ccccc2)Cc2ccccc2C1 ZINC000417739243 559374771 /nfs/dbraw/zinc/37/47/71/559374771.db2.gz PYNZOYMUSFWYFA-UHFFFAOYSA-N 1 3 366.509 2.256 20 0 FEADHO CCn1nncc1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000417953192 559383719 /nfs/dbraw/zinc/38/37/19/559383719.db2.gz ZBJWWAROFWFUDH-UHFFFAOYSA-N 1 3 357.502 2.459 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418014144 559386676 /nfs/dbraw/zinc/38/66/76/559386676.db2.gz NYKQPTPXORRNRZ-QBAGFEOCSA-N 1 3 356.514 2.431 20 0 FEADHO C[C@]1(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCCN1Cc1ccccc1 ZINC000418037942 559387581 /nfs/dbraw/zinc/38/75/81/559387581.db2.gz DXUFGFAZARYFTK-IRFCIJBXSA-N 1 3 356.514 2.435 20 0 FEADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC1(COC)CC[NH2+]CC1)c1ccco1 ZINC000418165778 559392600 /nfs/dbraw/zinc/39/26/00/559392600.db2.gz JWKSYSUMARFCSI-CVEARBPZSA-N 1 3 366.506 2.024 20 0 FEADHO CCc1ccccc1[C@@H](N)CNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000418193594 559393644 /nfs/dbraw/zinc/39/36/44/559393644.db2.gz CBYJOIUJHAJRME-KRWDZBQOSA-N 1 3 364.559 2.375 20 0 FEADHO CSC1(CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CCN(C)CC1 ZINC000418198222 559393792 /nfs/dbraw/zinc/39/37/92/559393792.db2.gz LADFWUGFMDISPL-INIZCTEOSA-N 1 3 368.591 2.233 20 0 FEADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418212386 559394265 /nfs/dbraw/zinc/39/42/65/559394265.db2.gz UYNQECAAAHMHSP-QAPCUYQASA-N 1 3 350.507 2.231 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)N(C)C)cc1 ZINC000418237073 559394994 /nfs/dbraw/zinc/39/49/94/559394994.db2.gz VKUIVKQPARDSGZ-CPUCHLNUSA-N 1 3 350.532 2.403 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CCN[C@H](C)[C@H]2C)[NH+](C)C)cc1 ZINC000418237073 559394995 /nfs/dbraw/zinc/39/49/95/559394995.db2.gz VKUIVKQPARDSGZ-CPUCHLNUSA-N 1 3 350.532 2.403 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCC[NH2+]C1CC1 ZINC000418305797 559396966 /nfs/dbraw/zinc/39/69/66/559396966.db2.gz ZVVWJPBHTAPSNL-IBGZPJMESA-N 1 3 359.518 2.220 20 0 FEADHO O=C(NC1CC[NH2+]CC1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418311706 559397082 /nfs/dbraw/zinc/39/70/82/559397082.db2.gz RNHWMLHJRFVLMB-OAQYLSRUSA-N 1 3 356.514 2.436 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418350313 559398679 /nfs/dbraw/zinc/39/86/79/559398679.db2.gz QWMXYSLTDHIPBM-OAHLLOKOSA-N 1 3 368.472 2.428 20 0 FEADHO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000418405134 559400394 /nfs/dbraw/zinc/40/03/94/559400394.db2.gz AVXRKBUKMNYGIN-APISQKPESA-N 1 3 368.525 2.433 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000418426039 559401010 /nfs/dbraw/zinc/40/10/10/559401010.db2.gz JCESMABLTHEVPY-OALUTQOASA-N 1 3 356.470 2.297 20 0 FEADHO C[C@@H]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CCN1Cc1ccccc1 ZINC000418751905 559413937 /nfs/dbraw/zinc/41/39/37/559413937.db2.gz FYKZZXSZIYWBKG-WBVHZDCISA-N 1 3 366.456 2.290 20 0 FEADHO COc1ccc([C@@H](CN)C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000420303544 559479427 /nfs/dbraw/zinc/47/94/27/559479427.db2.gz KQULBVNIBIYQMD-IBGZPJMESA-N 1 3 359.514 2.462 20 0 FEADHO Cc1cccc(OCCCNC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420327231 559480767 /nfs/dbraw/zinc/48/07/67/559480767.db2.gz LCQGNJDIDJCIRQ-MOPGFXCFSA-N 1 3 359.514 2.202 20 0 FEADHO NC(=O)c1ccc(NC(=O)CCN[C@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000420352989 559482681 /nfs/dbraw/zinc/48/26/81/559482681.db2.gz ACBWWLLKOLQCOI-MRXNPFEDSA-N 1 3 366.893 2.265 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000420365836 559483166 /nfs/dbraw/zinc/48/31/66/559483166.db2.gz STKIPDVYDSRUCX-ZJOUEHCJSA-N 1 3 350.466 2.214 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000420365836 559483167 /nfs/dbraw/zinc/48/31/67/559483167.db2.gz STKIPDVYDSRUCX-ZJOUEHCJSA-N 1 3 350.466 2.214 20 0 FEADHO COC(=O)c1ccccc1OCCN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420387814 559484632 /nfs/dbraw/zinc/48/46/32/559484632.db2.gz WNAHAPXRIVFDMC-MJGOQNOKSA-N 1 3 362.470 2.070 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CC[NH2+]C[C@H]1c1ccccc1)c1ccccc1 ZINC000420416279 559486674 /nfs/dbraw/zinc/48/66/74/559486674.db2.gz VRJGCXJGNSMADL-RTWAWAEBSA-N 1 3 366.509 2.052 20 0 FEADHO CCOC(=O)[C@H](CC(C)C)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420987120 559517597 /nfs/dbraw/zinc/51/75/97/559517597.db2.gz ZZRXUMSCTWHAPX-IBGZPJMESA-N 1 3 353.551 2.456 20 0 FEADHO CCOC(=O)[C@H](CC(C)C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420987120 559517598 /nfs/dbraw/zinc/51/75/98/559517598.db2.gz ZZRXUMSCTWHAPX-IBGZPJMESA-N 1 3 353.551 2.456 20 0 FEADHO CCOC(=O)[C@H](CC(C)C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420987120 559517599 /nfs/dbraw/zinc/51/75/99/559517599.db2.gz ZZRXUMSCTWHAPX-IBGZPJMESA-N 1 3 353.551 2.456 20 0 FEADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000421297646 559536967 /nfs/dbraw/zinc/53/69/67/559536967.db2.gz LPVMCGJKQUSPIZ-LJQANCHMSA-N 1 3 372.513 2.164 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(C(=O)CN(C)Cc3ccccc3)CC2)CC1 ZINC000422002438 559559822 /nfs/dbraw/zinc/55/98/22/559559822.db2.gz AWMXWDIPZUZFKC-UHFFFAOYSA-N 1 3 372.557 2.137 20 0 FEADHO CCN1CCC([N@H+]2CCCN(C(=O)CN(C)Cc3ccccc3)CC2)CC1 ZINC000422002438 559559823 /nfs/dbraw/zinc/55/98/23/559559823.db2.gz AWMXWDIPZUZFKC-UHFFFAOYSA-N 1 3 372.557 2.137 20 0 FEADHO CN1CCN(c2ncccc2CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422709742 559603673 /nfs/dbraw/zinc/60/36/73/559603673.db2.gz DVZJRDRDFBHJJB-SLFFLAALSA-N 1 3 357.546 2.234 20 0 FEADHO CN1CCN(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422709555 559603702 /nfs/dbraw/zinc/60/37/02/559603702.db2.gz KQQGRDOIYAKRLT-BHIFYINESA-N 1 3 356.558 2.444 20 0 FEADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@H](CCC[NH3+])COC)CC1 ZINC000422746508 559605266 /nfs/dbraw/zinc/60/52/66/559605266.db2.gz WRZRNWPIZWIDIR-SJLPKXTDSA-N 1 3 366.525 2.372 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H](C)C[C@@H](C)N)CC2)cc1 ZINC000422822793 559607543 /nfs/dbraw/zinc/60/75/43/559607543.db2.gz KPWVRSCMAYJEAN-HUUCEWRRSA-N 1 3 353.532 2.164 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC(N[C@H](C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000422822793 559607544 /nfs/dbraw/zinc/60/75/44/559607544.db2.gz KPWVRSCMAYJEAN-HUUCEWRRSA-N 1 3 353.532 2.164 20 0 FEADHO FC(F)(F)c1ccc(NCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000422825908 559607597 /nfs/dbraw/zinc/60/75/97/559607597.db2.gz BCCIGAPEKMCJGE-ARFHVFGLSA-N 1 3 372.435 2.649 20 0 FEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000422854178 559608563 /nfs/dbraw/zinc/60/85/63/559608563.db2.gz ANQJJJJWTYFBFC-HNNXBMFYSA-N 1 3 362.481 3.068 20 0 FEADHO CCN1CCN(CCCCN[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422856840 559608742 /nfs/dbraw/zinc/60/87/42/559608742.db2.gz GRWXMNSUXSYTPJ-YADHBBJMSA-N 1 3 374.573 2.496 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422909886 559610928 /nfs/dbraw/zinc/61/09/28/559610928.db2.gz PFQIRRRAFYRVFK-MVWRLGRASA-N 1 3 353.457 2.271 20 0 FEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422909886 559610929 /nfs/dbraw/zinc/61/09/29/559610929.db2.gz PFQIRRRAFYRVFK-MVWRLGRASA-N 1 3 353.457 2.271 20 0 FEADHO CCOC(=O)C1([C@H](C)N[C@@H](CCO)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000423011076 559614980 /nfs/dbraw/zinc/61/49/80/559614980.db2.gz YWCKVNNPKAGFOM-YJBOKZPZSA-N 1 3 364.486 2.030 20 0 FEADHO NC[C@H]1CCC[C@H]1[NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000423012591 559615127 /nfs/dbraw/zinc/61/51/27/559615127.db2.gz LDBVRPZVGWLUCV-RDTXWAMCSA-N 1 3 369.506 2.086 20 0 FEADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1Br ZINC000423077086 559617678 /nfs/dbraw/zinc/61/76/78/559617678.db2.gz SJIDBXRFFAZGFW-SLHHOWHOSA-N 1 3 353.304 2.473 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423078809 559617814 /nfs/dbraw/zinc/61/78/14/559617814.db2.gz WUTZCVNBLYWOBD-SQWSIXGCSA-N 1 3 350.478 2.241 20 0 FEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423078809 559617815 /nfs/dbraw/zinc/61/78/15/559617815.db2.gz WUTZCVNBLYWOBD-SQWSIXGCSA-N 1 3 350.478 2.241 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2ccnc(OC(F)F)c2)CC[NH2+]CC1 ZINC000423101784 559619077 /nfs/dbraw/zinc/61/90/77/559619077.db2.gz JIXGMZSOWGNISA-LBPRGKRZSA-N 1 3 357.401 2.094 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2c(F)cccc2-n2cccn2)CC[NH2+]CC1 ZINC000423149095 559620960 /nfs/dbraw/zinc/62/09/60/559620960.db2.gz ALESUXYDDRSRNT-OAHLLOKOSA-N 1 3 374.460 2.422 20 0 FEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423167869 559621713 /nfs/dbraw/zinc/62/17/13/559621713.db2.gz FXDWQRIGWRQCAX-HEHGZKQESA-N 1 3 359.283 2.456 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423167869 559621714 /nfs/dbraw/zinc/62/17/14/559621714.db2.gz FXDWQRIGWRQCAX-HEHGZKQESA-N 1 3 359.283 2.456 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3[NH2+]CCCC3(C)C)CC2)C[C@@H](C)O1 ZINC000423363716 559626786 /nfs/dbraw/zinc/62/67/86/559626786.db2.gz VBMYHVVXDWKIBM-JFIYKMOQSA-N 1 3 351.535 2.112 20 0 FEADHO FC(F)(F)[C@H](CN[C@@H]1CSCCc2ccccc21)N1CC[NH2+]CC1 ZINC000423375134 559627197 /nfs/dbraw/zinc/62/71/97/559627197.db2.gz CVIXIZMPZYFIHW-CVEARBPZSA-N 1 3 359.461 2.443 20 0 FEADHO C[C@@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000423988444 559649258 /nfs/dbraw/zinc/64/92/58/559649258.db2.gz ATSKNYIXHZBDEP-MOPGFXCFSA-N 1 3 358.530 2.032 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cc2)CC1 ZINC000424079059 559654077 /nfs/dbraw/zinc/65/40/77/559654077.db2.gz TZUWVKDFWLJUSJ-AOIWGVFYSA-N 1 3 358.530 2.274 20 0 FEADHO C[C@@H]1CC2(CN1CC(=O)N(C)CCCOc1ccccc1)CC[NH2+]CC2 ZINC000424284128 559660752 /nfs/dbraw/zinc/66/07/52/559660752.db2.gz CQVDLAGZKHDVLW-GOSISDBHSA-N 1 3 359.514 2.378 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000424453885 559665646 /nfs/dbraw/zinc/66/56/46/559665646.db2.gz KUSYXROHZNTNRO-UHFFFAOYSA-N 1 3 360.502 2.165 20 0 FEADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)[C@@H]2C1 ZINC000425669847 559714038 /nfs/dbraw/zinc/71/40/38/559714038.db2.gz DKLYWUMLWJGFMJ-SLFFLAALSA-N 1 3 356.514 2.387 20 0 FEADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)[C@@H]2C1 ZINC000425669847 559714039 /nfs/dbraw/zinc/71/40/39/559714039.db2.gz DKLYWUMLWJGFMJ-SLFFLAALSA-N 1 3 356.514 2.387 20 0 FEADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427265835 559751742 /nfs/dbraw/zinc/75/17/42/559751742.db2.gz PEYJDLYWZWGWHS-SJLPKXTDSA-N 1 3 372.513 2.102 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCC[N@@H+]1C ZINC000428962242 559786902 /nfs/dbraw/zinc/78/69/02/559786902.db2.gz BKZWMGIZGWOSBB-HOJAQTOUSA-N 1 3 374.529 2.059 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCC[N@H+]1C ZINC000428962242 559786903 /nfs/dbraw/zinc/78/69/03/559786903.db2.gz BKZWMGIZGWOSBB-HOJAQTOUSA-N 1 3 374.529 2.059 20 0 FEADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430569626 559822958 /nfs/dbraw/zinc/82/29/58/559822958.db2.gz AEUMAKWHNNWRBG-HOTGVXAUSA-N 1 3 358.486 2.201 20 0 FEADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)CC(C)(C)C[NH3+] ZINC000430582583 559823548 /nfs/dbraw/zinc/82/35/48/559823548.db2.gz KJQWKOMUIGBKHY-QGZVFWFLSA-N 1 3 360.546 2.072 20 0 FEADHO N[C@H](Cc1ccccc1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000430697071 559826576 /nfs/dbraw/zinc/82/65/76/559826576.db2.gz KYRUSGCFQWQXQE-OAQYLSRUSA-N 1 3 367.493 2.347 20 0 FEADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000431038240 559832861 /nfs/dbraw/zinc/83/28/61/559832861.db2.gz CFZWNIDBFQQLGB-UHFFFAOYSA-N 1 3 352.482 2.128 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000431651255 559843341 /nfs/dbraw/zinc/84/33/41/559843341.db2.gz ZAHBQFUEWLIXHL-IBGZPJMESA-N 1 3 370.607 2.481 20 0 FEADHO CN(C)CCn1ncc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c1-c1ccccc1 ZINC000431796777 559846152 /nfs/dbraw/zinc/84/61/52/559846152.db2.gz LVCAAKRUFSYIJP-QGZVFWFLSA-N 1 3 369.513 2.135 20 0 FEADHO CC1(C)CN(C(=O)CCCN2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000433122458 559872370 /nfs/dbraw/zinc/87/23/70/559872370.db2.gz VYUSYUBTHBUWNR-UHFFFAOYSA-N 1 3 372.557 2.313 20 0 FEADHO COc1cc(CN2CC[C@H](CO)[C@@H]2C)cc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)c1 ZINC000433214865 559873999 /nfs/dbraw/zinc/87/39/99/559873999.db2.gz VOJQMBULZQVIRM-XAMWDVODSA-N 1 3 362.514 2.101 20 0 FEADHO COc1cc(CN2CC[C@H](CO)[C@@H]2C)cc(C[N@H+]2CC[C@H](CO)[C@@H]2C)c1 ZINC000433214865 559874000 /nfs/dbraw/zinc/87/40/00/559874000.db2.gz VOJQMBULZQVIRM-XAMWDVODSA-N 1 3 362.514 2.101 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433269455 559875367 /nfs/dbraw/zinc/87/53/67/559875367.db2.gz BLECLWGUVVSPTR-GUDVDZBRSA-N 1 3 368.566 2.155 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433272410 559875524 /nfs/dbraw/zinc/87/55/24/559875524.db2.gz IJLIHABYYQJNAN-ROUUACIJSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433272410 559875525 /nfs/dbraw/zinc/87/55/25/559875525.db2.gz IJLIHABYYQJNAN-ROUUACIJSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCCO1 ZINC000433398341 559879944 /nfs/dbraw/zinc/87/99/44/559879944.db2.gz FZCLPWKEGLQHFP-HKUYNNGSSA-N 1 3 366.550 2.051 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCCO1 ZINC000433398341 559879945 /nfs/dbraw/zinc/87/99/45/559879945.db2.gz FZCLPWKEGLQHFP-HKUYNNGSSA-N 1 3 366.550 2.051 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433399658 559879968 /nfs/dbraw/zinc/87/99/68/559879968.db2.gz KBZBMIYUYYUAQO-RTBURBONSA-N 1 3 368.566 2.155 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433399658 559879969 /nfs/dbraw/zinc/87/99/69/559879969.db2.gz KBZBMIYUYYUAQO-RTBURBONSA-N 1 3 368.566 2.155 20 0 FEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433409864 559880555 /nfs/dbraw/zinc/88/05/55/559880555.db2.gz JCHXBMUFTJAXLW-QZTJIDSGSA-N 1 3 354.539 2.051 20 0 FEADHO CCN1CCN(c2ccccc2CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000438338368 559977525 /nfs/dbraw/zinc/97/75/25/559977525.db2.gz PCKBZUBWNHCWCC-LJQANCHMSA-N 1 3 374.573 2.106 20 0 FEADHO CCN1CCN(c2ccccc2CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000438338368 559977526 /nfs/dbraw/zinc/97/75/26/559977526.db2.gz PCKBZUBWNHCWCC-LJQANCHMSA-N 1 3 374.573 2.106 20 0 FEADHO COc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc(Cl)c1OC ZINC000441387641 560030926 /nfs/dbraw/zinc/03/09/26/560030926.db2.gz QLOZIEHWBHWGHJ-UHFFFAOYSA-N 1 3 355.910 2.473 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)cc1F ZINC000443057580 560068271 /nfs/dbraw/zinc/06/82/71/560068271.db2.gz HDKGQUKKOKEPLZ-LSDHHAIUSA-N 1 3 351.466 2.242 20 0 FEADHO C[C@@H]1CN(CCOC2CCN(CCC[NH+]3CCCCC3)CC2)C[C@@H](C)O1 ZINC000444606587 560116662 /nfs/dbraw/zinc/11/66/62/560116662.db2.gz GMCNYGAFJWXHLR-WOJBJXKFSA-N 1 3 367.578 2.453 20 0 FEADHO C[C@@H]1CN(CCOC2CC[NH+](CCCN3CCCCC3)CC2)C[C@@H](C)O1 ZINC000444606587 560116663 /nfs/dbraw/zinc/11/66/63/560116663.db2.gz GMCNYGAFJWXHLR-WOJBJXKFSA-N 1 3 367.578 2.453 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)NCC3([NH+](C)C)CCC3)CC2)C[C@@H](C)O1 ZINC000445858316 560135678 /nfs/dbraw/zinc/13/56/78/560135678.db2.gz VMRPZFWLNQTBTF-IAGOWNOFSA-N 1 3 366.550 2.002 20 0 FEADHO CN(C)[C@]1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCSC1 ZINC000448216198 560180657 /nfs/dbraw/zinc/18/06/57/560180657.db2.gz AKOXOKIBDZCLTC-WDYCEAGBSA-N 1 3 366.575 2.082 20 0 FEADHO CN(C)[C@]1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCSC1 ZINC000448216198 560180658 /nfs/dbraw/zinc/18/06/58/560180658.db2.gz AKOXOKIBDZCLTC-WDYCEAGBSA-N 1 3 366.575 2.082 20 0 FEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000448255162 560181731 /nfs/dbraw/zinc/18/17/31/560181731.db2.gz IDIIYIMUGZYVPD-ROUUACIJSA-N 1 3 350.551 2.480 20 0 FEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000448255162 560181733 /nfs/dbraw/zinc/18/17/33/560181733.db2.gz IDIIYIMUGZYVPD-ROUUACIJSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H](C)CN2CCN(C)CC2)CC1 ZINC000449126054 560216991 /nfs/dbraw/zinc/21/69/91/560216991.db2.gz UJZGNPARAYCRPJ-VQTJNVASSA-N 1 3 358.574 2.308 20 0 FEADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000449126054 560216992 /nfs/dbraw/zinc/21/69/92/560216992.db2.gz UJZGNPARAYCRPJ-VQTJNVASSA-N 1 3 358.574 2.308 20 0 FEADHO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000450965126 560280209 /nfs/dbraw/zinc/28/02/09/560280209.db2.gz USFDCMXYELMDGX-VQIMIIECSA-N 1 3 351.535 2.087 20 0 FEADHO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000450965126 560280210 /nfs/dbraw/zinc/28/02/10/560280210.db2.gz USFDCMXYELMDGX-VQIMIIECSA-N 1 3 351.535 2.087 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN2CCN(Cc3ccccc3)C[C@@H](C)C2)CC1 ZINC000451711134 560323908 /nfs/dbraw/zinc/32/39/08/560323908.db2.gz RARJLSUIYCRXLW-LJQANCHMSA-N 1 3 372.557 2.041 20 0 FEADHO O=C(C[NH2+]C1(Cc2ccccc2)CCOCC1)NC1CCN(C2CC2)CC1 ZINC000451941848 560339671 /nfs/dbraw/zinc/33/96/71/560339671.db2.gz PUTOLAXUHZXHPO-UHFFFAOYSA-N 1 3 371.525 2.111 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1)C(C)C ZINC000452355886 560359721 /nfs/dbraw/zinc/35/97/21/560359721.db2.gz ZEIJMHOVMZORKO-FQEVSTJZSA-N 1 3 361.530 2.494 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1)C(C)C ZINC000452355886 560359722 /nfs/dbraw/zinc/35/97/22/560359722.db2.gz ZEIJMHOVMZORKO-FQEVSTJZSA-N 1 3 361.530 2.494 20 0 FEADHO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CCCN1CCCO ZINC000452359027 560360171 /nfs/dbraw/zinc/36/01/71/560360171.db2.gz HBCJDOSGIIATQD-OAHLLOKOSA-N 1 3 359.470 2.071 20 0 FEADHO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)N(C)C ZINC000453577825 560389408 /nfs/dbraw/zinc/38/94/08/560389408.db2.gz XIENEVKEMHIQHP-HKUYNNGSSA-N 1 3 374.529 2.267 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCN1C ZINC000453702710 560398022 /nfs/dbraw/zinc/39/80/22/560398022.db2.gz AAXYYYTXCIVRTB-DKSSEZFCSA-N 1 3 372.513 2.115 20 0 FEADHO Cc1csc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000454458254 560445269 /nfs/dbraw/zinc/44/52/69/560445269.db2.gz PDXQMWWZYAQAJD-UHFFFAOYSA-N 1 3 350.532 2.414 20 0 FEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000457110095 560549585 /nfs/dbraw/zinc/54/95/85/560549585.db2.gz HSUCRPBYFQJSPS-NRFANRHFSA-N 1 3 373.541 2.446 20 0 FEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000457110095 560549586 /nfs/dbraw/zinc/54/95/86/560549586.db2.gz HSUCRPBYFQJSPS-NRFANRHFSA-N 1 3 373.541 2.446 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000457701992 560582603 /nfs/dbraw/zinc/58/26/03/560582603.db2.gz DIFYNKMEDQMNHT-GGPKGHCWSA-N 1 3 350.551 2.482 20 0 FEADHO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000458166625 560606462 /nfs/dbraw/zinc/60/64/62/560606462.db2.gz LWSCHEIXQFKYOW-GOSISDBHSA-N 1 3 373.541 2.353 20 0 FEADHO C[N@H+]1CCC[C@H](CCNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000458166625 560606463 /nfs/dbraw/zinc/60/64/63/560606463.db2.gz LWSCHEIXQFKYOW-GOSISDBHSA-N 1 3 373.541 2.353 20 0 FEADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000458548814 560631746 /nfs/dbraw/zinc/63/17/46/560631746.db2.gz ATQZNKGLPXOAFE-QGZVKYPTSA-N 1 3 370.541 2.489 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)NC[C@H](C)[NH+](C)C)N(C)C)cc1 ZINC000458763618 560646808 /nfs/dbraw/zinc/64/68/08/560646808.db2.gz QUMDCBBEJUCQBW-MAUKXSAKSA-N 1 3 350.507 2.326 20 0 FEADHO CN(C)CCOC1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000458844232 560651876 /nfs/dbraw/zinc/65/18/76/560651876.db2.gz IDXDIFYMPUAVKT-UHFFFAOYSA-N 1 3 354.539 2.005 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cnc(C2CC2)o1 ZINC000459091189 560666470 /nfs/dbraw/zinc/66/64/70/560666470.db2.gz ZYSIWXLKPBQNKF-MRXNPFEDSA-N 1 3 363.506 2.110 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cnc(C2CC2)o1 ZINC000459091189 560666472 /nfs/dbraw/zinc/66/64/72/560666472.db2.gz ZYSIWXLKPBQNKF-MRXNPFEDSA-N 1 3 363.506 2.110 20 0 FEADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000461379325 560768984 /nfs/dbraw/zinc/76/89/84/560768984.db2.gz LNNOBFACLDGVMO-FUHWJXTLSA-N 1 3 353.551 2.048 20 0 FEADHO O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCN(C2CCCC2)CC1 ZINC000462023102 560793212 /nfs/dbraw/zinc/79/32/12/560793212.db2.gz NZIGVBRGDJUKGV-UHFFFAOYSA-N 1 3 370.541 2.286 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CC1 ZINC000465005181 560856775 /nfs/dbraw/zinc/85/67/75/560856775.db2.gz DIRIIQPTLATXMA-PKOBYXMFSA-N 1 3 368.566 2.248 20 0 FEADHO CCN1CCC[C@H]1CNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000465899755 560875448 /nfs/dbraw/zinc/87/54/48/560875448.db2.gz AFDSEDGVINGSFH-KRWDZBQOSA-N 1 3 366.550 2.194 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC(C[NH+](C)C)CC2)Cc2ccccc2C1 ZINC000466006779 560877805 /nfs/dbraw/zinc/87/78/05/560877805.db2.gz PIYQHNQLVXTXQL-UHFFFAOYSA-N 1 3 358.530 2.069 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cn3c(n2)SCC3)[C@H](C)C1 ZINC000468046684 560921496 /nfs/dbraw/zinc/92/14/96/560921496.db2.gz FAUQYMSZTQEBRG-NVXWUHKLSA-N 1 3 352.548 2.258 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cn3c(n2)SCC3)[C@H](C)C1 ZINC000468046684 560921497 /nfs/dbraw/zinc/92/14/97/560921497.db2.gz FAUQYMSZTQEBRG-NVXWUHKLSA-N 1 3 352.548 2.258 20 0 FEADHO CC[NH+](CC)[C@H](C)CNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000473548852 561052420 /nfs/dbraw/zinc/05/24/20/561052420.db2.gz ZTLAYWWIVRVOED-LJQANCHMSA-N 1 3 360.546 2.354 20 0 FEADHO C[NH+](C)CCOC1CCN(C(=O)CCN2CCc3ccccc3C2)CC1 ZINC000474730542 561081680 /nfs/dbraw/zinc/08/16/80/561081680.db2.gz ZECGQYVXIXCYPX-UHFFFAOYSA-N 1 3 359.514 2.004 20 0 FEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000477159099 561138113 /nfs/dbraw/zinc/13/81/13/561138113.db2.gz IZROXCJFFHUIBY-ZWKOTPCHSA-N 1 3 368.566 2.297 20 0 FEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000477159099 561138114 /nfs/dbraw/zinc/13/81/14/561138114.db2.gz IZROXCJFFHUIBY-ZWKOTPCHSA-N 1 3 368.566 2.297 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2CCCN2CCOC)CC1 ZINC000477186593 561138818 /nfs/dbraw/zinc/13/88/18/561138818.db2.gz JUZZPGQZFNUOBK-LJQANCHMSA-N 1 3 368.566 2.251 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCCN2CCOC)CC1 ZINC000477186593 561138819 /nfs/dbraw/zinc/13/88/19/561138819.db2.gz JUZZPGQZFNUOBK-LJQANCHMSA-N 1 3 368.566 2.251 20 0 FEADHO O=C(N[C@H]1CC[NH2+]C12CCC2)NC1CCN(CCc2ccccc2)CC1 ZINC000529290581 562367536 /nfs/dbraw/zinc/36/75/36/562367536.db2.gz SOWBMJUSIJWSDO-IBGZPJMESA-N 1 3 356.514 2.277 20 0 FEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242912 562403902 /nfs/dbraw/zinc/40/39/02/562403902.db2.gz VSIMMEIRQGBWBT-VQIMIIECSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H]1CCC[C@@](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000531046318 562432883 /nfs/dbraw/zinc/43/28/83/562432883.db2.gz JTOZTQXXHYOEDR-STZQEDGTSA-N 1 3 373.541 2.250 20 0 FEADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532227514 562471221 /nfs/dbraw/zinc/47/12/21/562471221.db2.gz LSXWQXQZXPYGAR-OAHLLOKOSA-N 1 3 372.513 2.165 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCN(CCOC)C2)CC1 ZINC000532294647 562473106 /nfs/dbraw/zinc/47/31/06/562473106.db2.gz JZZOGZRYXLTBRT-HXUWFJFHSA-N 1 3 360.546 2.029 20 0 FEADHO COc1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000532487522 562479392 /nfs/dbraw/zinc/47/93/92/562479392.db2.gz ISXBKUQOUMUMFT-UHFFFAOYSA-N 1 3 374.529 2.361 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000532697604 562486004 /nfs/dbraw/zinc/48/60/04/562486004.db2.gz TYRNHXXZWNDUDB-IAGOWNOFSA-N 1 3 359.518 2.343 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000532697604 562486005 /nfs/dbraw/zinc/48/60/05/562486005.db2.gz TYRNHXXZWNDUDB-IAGOWNOFSA-N 1 3 359.518 2.343 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000532697605 562486068 /nfs/dbraw/zinc/48/60/68/562486068.db2.gz TYRNHXXZWNDUDB-IRXDYDNUSA-N 1 3 359.518 2.343 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000532697605 562486069 /nfs/dbraw/zinc/48/60/69/562486069.db2.gz TYRNHXXZWNDUDB-IRXDYDNUSA-N 1 3 359.518 2.343 20 0 FEADHO Cn1cc([C@H](NCCCC[NH+]2CCN(C)CC2)c2cccc(F)c2)cn1 ZINC000540908261 562596440 /nfs/dbraw/zinc/59/64/40/562596440.db2.gz XPXVIABEZAIAJX-HXUWFJFHSA-N 1 3 359.493 2.266 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000669110405 567880236 /nfs/dbraw/zinc/88/02/36/567880236.db2.gz KVLRPVUDTIMRCA-SVFBPWRDSA-N 1 3 370.541 2.381 20 0 FEADHO CN1CCN(Cc2ccc(C[NH2+]C[C@H](O)Cc3ccc(F)cc3)cc2)CC1 ZINC000570955776 568237943 /nfs/dbraw/zinc/23/79/43/568237943.db2.gz HDNISCWQIAGICI-JOCHJYFZSA-N 1 3 371.500 2.266 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CO)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000557276724 674444056 /nfs/dbraw/zinc/44/40/56/674444056.db2.gz MQYUXPVGXAAVCP-AHRSYUTCSA-N 1 3 352.494 2.456 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CO)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000557276724 674444060 /nfs/dbraw/zinc/44/40/60/674444060.db2.gz MQYUXPVGXAAVCP-AHRSYUTCSA-N 1 3 352.494 2.456 20 0 FEADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000559753735 674554931 /nfs/dbraw/zinc/55/49/31/674554931.db2.gz REOBYBKVTYVGQQ-DNVCBOLYSA-N 1 3 365.543 2.421 20 0 FEADHO Cn1c2ccc(CN3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)cc2sc1=O ZINC000562751427 674801872 /nfs/dbraw/zinc/80/18/72/674801872.db2.gz WSTMPBOKUNIFDA-RDJZCZTQSA-N 1 3 361.511 2.318 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000563606929 674915936 /nfs/dbraw/zinc/91/59/36/674915936.db2.gz PNZRKFMGTDMKIF-YOEHRIQHSA-N 1 3 350.532 2.392 20 0 FEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000564528418 675031996 /nfs/dbraw/zinc/03/19/96/675031996.db2.gz SXJXINDZHUVZAY-ZWKOTPCHSA-N 1 3 350.551 2.480 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(CCOC)CC(C)C)CC2)CC1 ZINC000565663528 675141317 /nfs/dbraw/zinc/14/13/17/675141317.db2.gz ABVUAYDDYARSFO-UHFFFAOYSA-N 1 3 353.551 2.314 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@@](C)(CC)C3)CC2)CC1 ZINC000573861845 671173908 /nfs/dbraw/zinc/17/39/08/671173908.db2.gz SYVFCVGXSPLTDU-FQEVSTJZSA-N 1 3 351.535 2.210 20 0 FEADHO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000580948103 671849607 /nfs/dbraw/zinc/84/96/07/671849607.db2.gz ZVJORMIUMLFGDU-INIZCTEOSA-N 1 3 369.937 2.004 20 0 FEADHO COc1ccc(C[C@H](CO)C[NH2+]C2CCN(C(C)(C)C)CC2)cc1O ZINC000581575554 671912842 /nfs/dbraw/zinc/91/28/42/671912842.db2.gz VMPHPOQQIBASNB-INIZCTEOSA-N 1 3 350.503 2.404 20 0 FEADHO COc1ccc(C[C@H](CO)CNC2CC[NH+](C(C)(C)C)CC2)cc1O ZINC000581575554 671912849 /nfs/dbraw/zinc/91/28/49/671912849.db2.gz VMPHPOQQIBASNB-INIZCTEOSA-N 1 3 350.503 2.404 20 0 FEADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000583810346 672128335 /nfs/dbraw/zinc/12/83/35/672128335.db2.gz IFNXVEDMHDAADU-KSSFIOAISA-N 1 3 365.905 2.297 20 0 FEADHO CS(=O)(=O)CC1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000584714663 672208549 /nfs/dbraw/zinc/20/85/49/672208549.db2.gz XGZVZIXMJDBCKT-QFBILLFUSA-N 1 3 364.511 2.047 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(Br)cc1 ZINC000178563004 672392623 /nfs/dbraw/zinc/39/26/23/672392623.db2.gz MHRDWNIQKOKUHB-HNNXBMFYSA-N 1 3 353.308 2.380 20 0 FEADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593315801 672908231 /nfs/dbraw/zinc/90/82/31/672908231.db2.gz LXLQRQWYKSMKIG-KBXCAEBGSA-N 1 3 350.507 2.401 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CN1Cc1ccccc1 ZINC000397980576 673164089 /nfs/dbraw/zinc/16/40/89/673164089.db2.gz MGNYITOEAGTPQN-UKPHBRMFSA-N 1 3 355.404 2.308 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418595630 673192213 /nfs/dbraw/zinc/19/22/13/673192213.db2.gz XACJDWKCQCAITM-JKSUJKDBSA-N 1 3 354.445 2.308 20 0 FEADHO C[N@@H+]1CCC[C@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000730955218 673296581 /nfs/dbraw/zinc/29/65/81/673296581.db2.gz VAKOLCBUHPKJFX-GOSISDBHSA-N 1 3 360.571 2.457 20 0 FEADHO C[N@H+]1CCC[C@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000730955218 673296583 /nfs/dbraw/zinc/29/65/83/673296583.db2.gz VAKOLCBUHPKJFX-GOSISDBHSA-N 1 3 360.571 2.457 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCCCS3)CC2)CC1 ZINC000542252130 673570478 /nfs/dbraw/zinc/57/04/78/673570478.db2.gz BIDNGDXASKQGCX-QGZVFWFLSA-N 1 3 354.564 2.130 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(CC)(CC)CO)CC2)CC1 ZINC000566440739 675214028 /nfs/dbraw/zinc/21/40/28/675214028.db2.gz QRMUVKFTLKTVJL-UHFFFAOYSA-N 1 3 353.551 2.098 20 0 FEADHO C[NH+](C)CCNC(=O)C1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000566527683 675221613 /nfs/dbraw/zinc/22/16/13/675221613.db2.gz ZYUFYRJFMIXMCF-ARJAWSKDSA-N 1 3 351.441 2.368 20 0 FEADHO CN1CCC([NH+]2CCC(NC[C@H](O)c3ccc(F)cc3F)CC2)CC1 ZINC000818988147 675250264 /nfs/dbraw/zinc/25/02/64/675250264.db2.gz LAKCPBRBSABXPL-IBGZPJMESA-N 1 3 353.457 2.146 20 0 FEADHO CN1CCN(CC[NH2+]C[C@H](O)c2ccccc2Br)CC1(C)C ZINC000819286027 675277236 /nfs/dbraw/zinc/27/72/36/675277236.db2.gz DIWHOVBIEYVNKZ-INIZCTEOSA-N 1 3 370.335 2.098 20 0 FEADHO CN1CCN(CC[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1(C)C ZINC000819287257 675277244 /nfs/dbraw/zinc/27/72/44/675277244.db2.gz OKSBOWOBOPWBOM-INIZCTEOSA-N 1 3 359.436 2.354 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc(Cl)n1 ZINC000825548402 675658413 /nfs/dbraw/zinc/65/84/13/675658413.db2.gz XDVXFJLBOXSKSW-BMFZPTHFSA-N 1 3 350.894 2.424 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]4CSC[C@@H]4C3)CC2)CC1 ZINC000827118429 675730848 /nfs/dbraw/zinc/73/08/48/675730848.db2.gz CHAXQDUVEJWUGX-ROUUACIJSA-N 1 3 365.587 2.394 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000617505692 676288693 /nfs/dbraw/zinc/28/86/93/676288693.db2.gz MTVUZRYYMJEXMS-RRQGHBQHSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000617505692 676288694 /nfs/dbraw/zinc/28/86/94/676288694.db2.gz MTVUZRYYMJEXMS-RRQGHBQHSA-N 1 3 353.457 2.457 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC3=CCSC3)CC2)CC1 ZINC000620854648 676432951 /nfs/dbraw/zinc/43/29/51/676432951.db2.gz DCPKDTKHMSPQQK-UHFFFAOYSA-N 1 3 351.560 2.314 20 0 FEADHO CN1CCN([C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623336167 676530161 /nfs/dbraw/zinc/53/01/61/676530161.db2.gz ZHLICJFJTLXSBU-IRXDYDNUSA-N 1 3 350.576 2.499 20 0 FEADHO CN1CCN([C@@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623336167 676530164 /nfs/dbraw/zinc/53/01/64/676530164.db2.gz ZHLICJFJTLXSBU-IRXDYDNUSA-N 1 3 350.576 2.499 20 0 FEADHO CN1CC[NH+](CCCCNCc2ncc(Br)cc2F)CC1 ZINC000623356995 676530935 /nfs/dbraw/zinc/53/09/35/676530935.db2.gz TUBDWTRXNPIWAM-UHFFFAOYSA-N 1 3 359.287 2.100 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000623399133 676533122 /nfs/dbraw/zinc/53/31/22/676533122.db2.gz ZGIZKKCVHBOEOO-GOEBONIOSA-N 1 3 353.532 2.460 20 0 FEADHO CCC[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)OCC ZINC000623564480 676541007 /nfs/dbraw/zinc/54/10/07/676541007.db2.gz FDOVFFBCJGQROP-GOSISDBHSA-N 1 3 354.539 2.049 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000629419179 676854128 /nfs/dbraw/zinc/85/41/28/676854128.db2.gz JHMHBPLBASSJLA-GOSISDBHSA-N 1 3 351.535 2.354 20 0 FEADHO C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1cccc(Br)c1 ZINC000629564458 676859851 /nfs/dbraw/zinc/85/98/51/676859851.db2.gz KWVQBTLQZNWGEY-ZFWWWQNUSA-N 1 3 357.292 2.263 20 0 FEADHO C[C@@H]1C[C@@H](CCNS(=O)(=O)CCCN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000632137245 676977826 /nfs/dbraw/zinc/97/78/26/676977826.db2.gz IXLLZTWXGFPMJJ-IEBWSBKVSA-N 1 3 367.559 2.158 20 0 FEADHO C[C@@H]1C[C@@H](CCNS(=O)(=O)CCCN(C)C)C[N@H+]1Cc1ccccc1 ZINC000632137245 676977827 /nfs/dbraw/zinc/97/78/27/676977827.db2.gz IXLLZTWXGFPMJJ-IEBWSBKVSA-N 1 3 367.559 2.158 20 0 FEADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccsc1 ZINC000635278285 677094508 /nfs/dbraw/zinc/09/45/08/677094508.db2.gz LSNHKWNCGXVVDX-GVDBMIGSSA-N 1 3 351.516 2.110 20 0 FEADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccsc1 ZINC000635278285 677094509 /nfs/dbraw/zinc/09/45/09/677094509.db2.gz LSNHKWNCGXVVDX-GVDBMIGSSA-N 1 3 351.516 2.110 20 0 FEADHO COC[C@]1(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCCCN1 ZINC000638082870 677139486 /nfs/dbraw/zinc/13/94/86/677139486.db2.gz CQAVKWOZOHAOJI-IBGZPJMESA-N 1 3 365.543 2.235 20 0 FEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](N)CCC(C)C)cc1F ZINC000638414612 677144683 /nfs/dbraw/zinc/14/46/83/677144683.db2.gz RWMBRUDPYPLPGL-XIRDDKMYSA-N 1 3 351.466 2.160 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000638729568 677149385 /nfs/dbraw/zinc/14/93/85/677149385.db2.gz RWPHJWKIWVUMSA-ROUUACIJSA-N 1 3 351.535 2.388 20 0 FEADHO CC(C)(O)C[NH+]1CCC(NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000639103130 677154182 /nfs/dbraw/zinc/15/41/82/677154182.db2.gz FBHYSCLREMGQMI-UYAOXDASSA-N 1 3 350.478 2.117 20 0 FEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)N2CCCC2)cc1 ZINC000649309976 677329178 /nfs/dbraw/zinc/32/91/78/677329178.db2.gz MFTSEXYBBJINOQ-IRXDYDNUSA-N 1 3 351.441 2.493 20 0 FEADHO CN(CC[NH+]1CCCCC1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000650680044 677385539 /nfs/dbraw/zinc/38/55/39/677385539.db2.gz MEPPKZPWVXOGKT-UHFFFAOYSA-N 1 3 368.591 2.475 20 0 FEADHO C[C@H](Cn1cc(Br)ccc1=O)NCc1ccc(C[NH3+])cc1F ZINC000650754718 677388488 /nfs/dbraw/zinc/38/84/88/677388488.db2.gz PPVKGKQLQAZGRB-LLVKDONJSA-N 1 3 368.250 2.387 20 0 FEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349277 677481102 /nfs/dbraw/zinc/48/11/02/677481102.db2.gz JBMNSBBCUNQAFX-DFEOGRTESA-N 1 3 351.535 2.384 20 0 FEADHO CCS(=O)(=O)C1(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000658301669 678070808 /nfs/dbraw/zinc/07/08/08/678070808.db2.gz ZSBOXVVGBZAZQT-OAHLLOKOSA-N 1 3 354.516 2.245 20 0 FEADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(C[C@H]1COCCO1)C(F)(F)F ZINC000659296994 678163346 /nfs/dbraw/zinc/16/33/46/678163346.db2.gz JWWMDQZNIBTOKC-LSDHHAIUSA-N 1 3 358.360 2.255 20 0 FEADHO O=C(Nc1cccc2c1CC[NH2+]C2)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000659297709 678163400 /nfs/dbraw/zinc/16/34/00/678163400.db2.gz YCFXZIFRXRKYTJ-TZMCWYRMSA-N 1 3 358.360 2.255 20 0 FEADHO C[C@@H]1CCCN(CCOc2cccc(S(C)(=O)=O)c2)[C@@H]1CCC[NH3+] ZINC000662313781 678603009 /nfs/dbraw/zinc/60/30/09/678603009.db2.gz MHFGKKQFMNPXCX-CRAIPNDOSA-N 1 3 354.516 2.308 20 0 FEADHO CCN(CC)[C@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1ccsc1 ZINC000662384532 678614936 /nfs/dbraw/zinc/61/49/36/678614936.db2.gz QEFQQWICFDDWLX-XJKSGUPXSA-N 1 3 361.515 2.361 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(s2)CCNC3)[C@@H](C)C1 ZINC000662461846 678624506 /nfs/dbraw/zinc/62/45/06/678624506.db2.gz FGTGOJWOBUXTCD-HOCLYGCPSA-N 1 3 365.543 2.261 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc3c(s2)CCNC3)[C@@H](C)C1 ZINC000662461846 678624509 /nfs/dbraw/zinc/62/45/09/678624509.db2.gz FGTGOJWOBUXTCD-HOCLYGCPSA-N 1 3 365.543 2.261 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000664410913 678875055 /nfs/dbraw/zinc/87/50/55/678875055.db2.gz BFVUMIQHWRINSQ-DLBZAZTESA-N 1 3 356.555 2.153 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000664410913 678875057 /nfs/dbraw/zinc/87/50/57/678875057.db2.gz BFVUMIQHWRINSQ-DLBZAZTESA-N 1 3 356.555 2.153 20 0 FEADHO CC(C)O[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000664678303 678912954 /nfs/dbraw/zinc/91/29/54/678912954.db2.gz QUAIXGQIJYUJAI-YESZJQIVSA-N 1 3 356.555 2.150 20 0 FEADHO CC(C)O[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000664678303 678912958 /nfs/dbraw/zinc/91/29/58/678912958.db2.gz QUAIXGQIJYUJAI-YESZJQIVSA-N 1 3 356.555 2.150 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC12CCSCC2 ZINC000665164895 678943914 /nfs/dbraw/zinc/94/39/14/678943914.db2.gz RQDWUHGPZGRBMQ-JKSUJKDBSA-N 1 3 356.580 2.091 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC12CCSCC2 ZINC000665164895 678943916 /nfs/dbraw/zinc/94/39/16/678943916.db2.gz RQDWUHGPZGRBMQ-JKSUJKDBSA-N 1 3 356.580 2.091 20 0 FEADHO CO[C@@]1(C)C[C@@H](N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000665759495 678981820 /nfs/dbraw/zinc/98/18/20/678981820.db2.gz IVYRSYIESDEAMS-FCEWJHQRSA-N 1 3 356.555 2.103 20 0 FEADHO CO[C@@]1(C)C[C@@H](N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000665759495 678981822 /nfs/dbraw/zinc/98/18/22/678981822.db2.gz IVYRSYIESDEAMS-FCEWJHQRSA-N 1 3 356.555 2.103 20 0 FEADHO CC[C@H]1CN(C(=O)NCC2(N3CCSCC3)CCCC2)CC[C@@H]1[NH3+] ZINC000669389549 679231856 /nfs/dbraw/zinc/23/18/56/679231856.db2.gz SCVIGKDPHYOJIZ-HOTGVXAUSA-N 1 3 354.564 2.117 20 0 FEADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H]1CCCN(C)C1 ZINC000674616608 679496118 /nfs/dbraw/zinc/49/61/18/679496118.db2.gz AKVVGAPHXRNHPI-AWEZNQCLSA-N 1 3 352.445 2.386 20 0 FEADHO Cc1nc(C)c(CN2CCC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC001001417940 680461212 /nfs/dbraw/zinc/46/12/12/680461212.db2.gz JDRCLLCDOPYSDR-RHSMWYFYSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1nc(C)c(CN2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC001001417940 680461215 /nfs/dbraw/zinc/46/12/15/680461215.db2.gz JDRCLLCDOPYSDR-RHSMWYFYSA-N 1 3 364.559 2.428 20 0 FEADHO C[N@@H+]1CC[C@H]1CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000913945940 685489819 /nfs/dbraw/zinc/48/98/19/685489819.db2.gz BGWIGDAZBGSYCG-KRWDZBQOSA-N 1 3 350.894 2.308 20 0 FEADHO C[N@H+]1CC[C@H]1CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000913945940 685489820 /nfs/dbraw/zinc/48/98/20/685489820.db2.gz BGWIGDAZBGSYCG-KRWDZBQOSA-N 1 3 350.894 2.308 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCc3ccns3)CC2(C)C)CC[N@@H+]1C ZINC000940757202 682079302 /nfs/dbraw/zinc/07/93/02/682079302.db2.gz VJOXISPMSNKBNI-OIISXLGYSA-N 1 3 364.559 2.243 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCc3ccns3)CC2(C)C)CC[N@H+]1C ZINC000940757202 682079311 /nfs/dbraw/zinc/07/93/11/682079311.db2.gz VJOXISPMSNKBNI-OIISXLGYSA-N 1 3 364.559 2.243 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc(Cl)n1 ZINC000852925071 682357563 /nfs/dbraw/zinc/35/75/63/682357563.db2.gz YLWMJROJGBFABE-HOTGVXAUSA-N 1 3 368.909 2.003 20 0 FEADHO COC[C@@H](C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1)OC ZINC000856607274 682794650 /nfs/dbraw/zinc/79/46/50/682794650.db2.gz ZZXNMFYXJYNQDP-RTBURBONSA-N 1 3 351.491 2.036 20 0 FEADHO COC[C@@H](C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1)OC ZINC000856607274 682794654 /nfs/dbraw/zinc/79/46/54/682794654.db2.gz ZZXNMFYXJYNQDP-RTBURBONSA-N 1 3 351.491 2.036 20 0 FEADHO CN(CCn1cnc(Br)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213058 683057961 /nfs/dbraw/zinc/05/79/61/683057961.db2.gz QYSKZXMSWVJNKE-UHFFFAOYSA-N 1 3 352.280 2.234 20 0 FEADHO CCS(=O)(=O)N1CCC(C[NH2+]C2CCN(CCC(C)C)CC2)CC1 ZINC000926161556 683085367 /nfs/dbraw/zinc/08/53/67/683085367.db2.gz VJZNJIZNGSPVFK-UHFFFAOYSA-N 1 3 359.580 2.148 20 0 FEADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000796647977 683181037 /nfs/dbraw/zinc/18/10/37/683181037.db2.gz GOGJMXMLRFLMIG-NCOADZHNSA-N 1 3 355.523 2.067 20 0 FEADHO CN1CCN(CC[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000799346043 683447220 /nfs/dbraw/zinc/44/72/20/683447220.db2.gz UMMMRHVIQKXBGR-INIZCTEOSA-N 1 3 354.539 2.002 20 0 FEADHO C[NH+](C)CC[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1cccnc1 ZINC000928827218 683509674 /nfs/dbraw/zinc/50/96/74/683509674.db2.gz JPQUEIZHBWZVJT-LPHOPBHVSA-N 1 3 350.482 2.403 20 0 FEADHO CCc1[nH]nc(Cl)c1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000921631275 683526063 /nfs/dbraw/zinc/52/60/63/683526063.db2.gz HCOXOXVGWAAFJL-UHFFFAOYSA-N 1 3 362.909 2.322 20 0 FEADHO CN1CC[C@]2(CC[N@H+](C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)C1 ZINC000862374758 683579780 /nfs/dbraw/zinc/57/97/80/683579780.db2.gz QGQNPHPZQWRLOF-BEFAXECRSA-N 1 3 353.507 2.386 20 0 FEADHO CN1CC[C@]2(CC[N@@H+](C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)C1 ZINC000862374758 683579783 /nfs/dbraw/zinc/57/97/83/683579783.db2.gz QGQNPHPZQWRLOF-BEFAXECRSA-N 1 3 353.507 2.386 20 0 FEADHO C[C@H](NCC[N@@H+]1CCCC1(C)C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862391937 683583137 /nfs/dbraw/zinc/58/31/37/683583137.db2.gz XKNFBTKZKWPJGM-HOTGVXAUSA-N 1 3 355.523 2.475 20 0 FEADHO C[C@H](NCC[N@H+]1CCCC1(C)C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862391937 683583144 /nfs/dbraw/zinc/58/31/44/683583144.db2.gz XKNFBTKZKWPJGM-HOTGVXAUSA-N 1 3 355.523 2.475 20 0 FEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnn(CC(F)F)c3)C2)[C@@H]1C(C)C ZINC000922395368 683714417 /nfs/dbraw/zinc/71/44/17/683714417.db2.gz WNKKVZXOCINNLG-XYVMCAHJSA-N 1 3 356.461 2.108 20 0 FEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnn(CC(F)F)c3)C2)[C@@H]1C(C)C ZINC000922395368 683714419 /nfs/dbraw/zinc/71/44/19/683714419.db2.gz WNKKVZXOCINNLG-XYVMCAHJSA-N 1 3 356.461 2.108 20 0 FEADHO CC(C)(C)OC(=O)N1CC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)[C@H](O)C1 ZINC000866492437 684111196 /nfs/dbraw/zinc/11/11/96/684111196.db2.gz GRZLSSHWOVBLIH-HZPDHXFCSA-N 1 3 355.523 2.209 20 0 FEADHO COC[C@H](C)OC[C@@H](O)CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923343861 684266862 /nfs/dbraw/zinc/26/68/62/684266862.db2.gz YEEMMHAJWZXKJI-RYQLBKOJSA-N 1 3 368.543 2.105 20 0 FEADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)COc3ccc(Br)cc3)C[C@@H]2C1 ZINC000931426336 684281689 /nfs/dbraw/zinc/28/16/89/684281689.db2.gz MPVLDNSJNIBLPI-IJEWVQPXSA-N 1 3 369.303 2.072 20 0 FEADHO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)COc3ccc(Br)cc3)C[C@@H]2C1 ZINC000931426336 684281693 /nfs/dbraw/zinc/28/16/93/684281693.db2.gz MPVLDNSJNIBLPI-IJEWVQPXSA-N 1 3 369.303 2.072 20 0 FEADHO C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452845 684283219 /nfs/dbraw/zinc/28/32/19/684283219.db2.gz ILAPRFNNLFJUOC-WMLDXEAASA-N 1 3 365.905 2.175 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923454666 684283843 /nfs/dbraw/zinc/28/38/43/684283843.db2.gz IEYUDYYKPHEGEF-ICUGJSFKSA-N 1 3 351.535 2.146 20 0 FEADHO CN(CCCCCC[NH3+])CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000872155835 684923988 /nfs/dbraw/zinc/92/39/88/684923988.db2.gz XSZRDCSIWLAICF-GOSISDBHSA-N 1 3 351.466 2.177 20 0 FEADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000875370619 685796679 /nfs/dbraw/zinc/79/66/79/685796679.db2.gz IHLJOINTHXGHLC-QFBILLFUSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@](C)(C(F)(F)F)C1 ZINC000875714564 686069955 /nfs/dbraw/zinc/06/99/55/686069955.db2.gz WMNKNUIOVKKBRN-ZFWWWQNUSA-N 1 3 352.445 2.242 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@](C)(C(F)(F)F)C1 ZINC000875714564 686069963 /nfs/dbraw/zinc/06/99/63/686069963.db2.gz WMNKNUIOVKKBRN-ZFWWWQNUSA-N 1 3 352.445 2.242 20 0 FEADHO CC(C)(O)C[NH+]1CCC(NCCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000877005750 686308340 /nfs/dbraw/zinc/30/83/40/686308340.db2.gz MDDZHKOAPRKNDJ-UHFFFAOYSA-N 1 3 355.523 2.211 20 0 FEADHO CC(C)(O)C[NH+]1CCC(NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000877163894 686335241 /nfs/dbraw/zinc/33/52/41/686335241.db2.gz WECHSJOJVOAYFX-MRXNPFEDSA-N 1 3 355.523 2.115 20 0 FEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891750465 689101229 /nfs/dbraw/zinc/10/12/29/689101229.db2.gz PFWPLCUZOLATDH-GDBMZVCRSA-N 1 3 354.445 2.051 20 0 FEADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000896838066 689937340 /nfs/dbraw/zinc/93/73/40/689937340.db2.gz MXALMSZYVWRJLQ-HKUYNNGSSA-N 1 3 365.543 2.288 20 0 FEADHO C[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H]1CS(N)(=O)=O ZINC000897610695 690048404 /nfs/dbraw/zinc/04/84/04/690048404.db2.gz UZYUWHXWCIKXPE-AEFFLSMTSA-N 1 3 367.559 2.001 20 0 FEADHO C[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H]1CS(N)(=O)=O ZINC000897610695 690048406 /nfs/dbraw/zinc/04/84/06/690048406.db2.gz UZYUWHXWCIKXPE-AEFFLSMTSA-N 1 3 367.559 2.001 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)C1 ZINC000903988791 690992488 /nfs/dbraw/zinc/99/24/88/690992488.db2.gz XIZFTGIADYFFMC-CABCVRRESA-N 1 3 362.543 2.009 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)C1 ZINC000903988791 690992490 /nfs/dbraw/zinc/99/24/90/690992490.db2.gz XIZFTGIADYFFMC-CABCVRRESA-N 1 3 362.543 2.009 20 0 FEADHO CCN(CC)CCN(Cc1cccs1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905330587 691102062 /nfs/dbraw/zinc/10/20/62/691102062.db2.gz DEXYDOMDGZVATI-UHFFFAOYSA-N 1 3 373.588 2.221 20 0 FEADHO Cc1nc(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)cc(N(C)C)[nH+]1 ZINC001164647049 719307985 /nfs/dbraw/zinc/30/79/85/719307985.db2.gz KAGVHSSSFYLCEW-UHFFFAOYSA-N 1 3 357.506 2.253 20 0 FEADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncccc2CN2CCCC2)C1 ZINC001164736202 720533233 /nfs/dbraw/zinc/53/32/33/720533233.db2.gz VWPZAQURTGHHFV-QGZVFWFLSA-N 1 3 354.502 2.072 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccnc1Br ZINC000822023569 675465943 /nfs/dbraw/zinc/46/59/43/675465943.db2.gz SBLYJBANJZQABN-LBPRGKRZSA-N 1 3 372.311 2.238 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccnc1Br ZINC000822023569 675465945 /nfs/dbraw/zinc/46/59/45/675465945.db2.gz SBLYJBANJZQABN-LBPRGKRZSA-N 1 3 372.311 2.238 20 0 FEADHO CC(C)[C@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)N1CCN(C)CC1 ZINC000044277185 540121531 /nfs/dbraw/zinc/12/15/31/540121531.db2.gz IUEBWEZKGIMCBC-IBGZPJMESA-N 1 3 361.534 2.142 20 0 FEADHO C[C@H]1CCC[C@@](CNC(=O)N2CCN(c3ccncc3)CC2)([NH+](C)C)C1 ZINC000052588322 540475524 /nfs/dbraw/zinc/47/55/24/540475524.db2.gz HZIFKBOLROCDCI-FXAWDEMLSA-N 1 3 359.518 2.424 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000054511226 540593815 /nfs/dbraw/zinc/59/38/15/540593815.db2.gz PNOHNXARTKUQBB-SFHVURJKSA-N 1 3 362.518 2.158 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000054511226 540593816 /nfs/dbraw/zinc/59/38/16/540593816.db2.gz PNOHNXARTKUQBB-SFHVURJKSA-N 1 3 362.518 2.158 20 0 FEADHO CC[NH+](CC)Cc1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1 ZINC000063739387 541183034 /nfs/dbraw/zinc/18/30/34/541183034.db2.gz CXTMDUZWWFBGTR-UHFFFAOYSA-N 1 3 360.546 2.286 20 0 FEADHO CN1CCN(CCCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000063739096 541183080 /nfs/dbraw/zinc/18/30/80/541183080.db2.gz MXYHYTXCIQUCQC-OAQYLSRUSA-N 1 3 372.557 2.042 20 0 FEADHO CN1CCN(CCCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000063739096 541183082 /nfs/dbraw/zinc/18/30/82/541183082.db2.gz MXYHYTXCIQUCQC-OAQYLSRUSA-N 1 3 372.557 2.042 20 0 FEADHO CCN1CCC[C@@H](C[NH2+]Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1 ZINC000069160366 541664845 /nfs/dbraw/zinc/66/48/45/541664845.db2.gz QDKHJWYSARIJTB-ZDUSSCGKSA-N 1 3 369.893 2.034 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CCCC3)C2)[C@H](C)C1 ZINC000247393471 549328354 /nfs/dbraw/zinc/32/83/54/549328354.db2.gz ZXOXBEVZXFECKR-QRVBRYPASA-N 1 3 366.550 2.003 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CCCC3)C2)[C@H](C)C1 ZINC000247393471 549328356 /nfs/dbraw/zinc/32/83/56/549328356.db2.gz ZXOXBEVZXFECKR-QRVBRYPASA-N 1 3 366.550 2.003 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000072815124 541872020 /nfs/dbraw/zinc/87/20/20/541872020.db2.gz JTGMELRXXKONBN-SFHVURJKSA-N 1 3 351.535 2.402 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000072815124 541872024 /nfs/dbraw/zinc/87/20/24/541872024.db2.gz JTGMELRXXKONBN-SFHVURJKSA-N 1 3 351.535 2.402 20 0 FEADHO CC(C)[NH+]1CCC(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000073648026 541980429 /nfs/dbraw/zinc/98/04/29/541980429.db2.gz DFTWHQJKJYVDNM-UHFFFAOYSA-N 1 3 373.541 2.380 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000073657480 541981899 /nfs/dbraw/zinc/98/18/99/541981899.db2.gz RIMGCNNVKOAFFV-OALUTQOASA-N 1 3 368.566 2.249 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1sc(C)nc1C ZINC000074664485 542109704 /nfs/dbraw/zinc/10/97/04/542109704.db2.gz KCXKBNOMIBMWBF-MRXNPFEDSA-N 1 3 367.563 2.317 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1sc(C)nc1C ZINC000074664485 542109708 /nfs/dbraw/zinc/10/97/08/542109708.db2.gz KCXKBNOMIBMWBF-MRXNPFEDSA-N 1 3 367.563 2.317 20 0 FEADHO CCc1cnc(CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)s1 ZINC000074842958 542126990 /nfs/dbraw/zinc/12/69/90/542126990.db2.gz RXIKVNNQGKFXGV-OAHLLOKOSA-N 1 3 367.563 2.263 20 0 FEADHO CCc1cnc(CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)s1 ZINC000074842958 542126992 /nfs/dbraw/zinc/12/69/92/542126992.db2.gz RXIKVNNQGKFXGV-OAHLLOKOSA-N 1 3 367.563 2.263 20 0 FEADHO CCCN1CCCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000077551230 542396484 /nfs/dbraw/zinc/39/64/84/542396484.db2.gz PKEVESMSWIRIBJ-UHFFFAOYSA-N 1 3 362.518 2.254 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000077821910 542424324 /nfs/dbraw/zinc/42/43/24/542424324.db2.gz AUKKPHZKALCNCC-UHFFFAOYSA-N 1 3 374.529 2.315 20 0 FEADHO Cc1ncsc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000092427029 542863684 /nfs/dbraw/zinc/86/36/84/542863684.db2.gz YSTKFASVLNJAIQ-UHFFFAOYSA-N 1 3 352.548 2.368 20 0 FEADHO CC[N@H+](C)CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000102004572 543054775 /nfs/dbraw/zinc/05/47/75/543054775.db2.gz HDRGHQSNDRJYMB-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO CC[N@@H+](C)CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000102004572 543054777 /nfs/dbraw/zinc/05/47/77/543054777.db2.gz HDRGHQSNDRJYMB-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCOc4ccccc43)CC2)CC1 ZINC000102866985 543083471 /nfs/dbraw/zinc/08/34/71/543083471.db2.gz FCGDJLQJRBHQHS-IBGZPJMESA-N 1 3 357.498 2.228 20 0 FEADHO COc1ccc(CNCCC[N@@H+]2CCCN(C)CC2)c(Cl)c1OC ZINC000107317619 543266085 /nfs/dbraw/zinc/26/60/85/543266085.db2.gz VQBCWQOHVVMZAG-UHFFFAOYSA-N 1 3 355.910 2.474 20 0 FEADHO COc1ccc(CNCCC[N@H+]2CCCN(C)CC2)c(Cl)c1OC ZINC000107317619 543266087 /nfs/dbraw/zinc/26/60/87/543266087.db2.gz VQBCWQOHVVMZAG-UHFFFAOYSA-N 1 3 355.910 2.474 20 0 FEADHO CN(CC[NH+]1CCCC1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111607372 543408584 /nfs/dbraw/zinc/40/85/84/543408584.db2.gz MGCJKGZJBHYDDZ-UHFFFAOYSA-N 1 3 358.530 2.143 20 0 FEADHO COc1c(C)cnc(CN2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1C ZINC000114075652 543503428 /nfs/dbraw/zinc/50/34/28/543503428.db2.gz JTWFRWJSYJSIRN-IBGZPJMESA-N 1 3 374.529 2.224 20 0 FEADHO COc1c(C)cnc(CN2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1C ZINC000114075652 543503432 /nfs/dbraw/zinc/50/34/32/543503432.db2.gz JTWFRWJSYJSIRN-IBGZPJMESA-N 1 3 374.529 2.224 20 0 FEADHO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000552100268 674187617 /nfs/dbraw/zinc/18/76/17/674187617.db2.gz DKQOWSUXXOWIBM-SQWLQELKSA-N 1 3 373.950 2.245 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(Br)c1 ZINC000119651752 543669986 /nfs/dbraw/zinc/66/99/86/543669986.db2.gz KGMLPWSXNWOZBH-UHFFFAOYSA-N 1 3 357.296 2.406 20 0 FEADHO C[C@@H](c1cccnc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127503407 543996762 /nfs/dbraw/zinc/99/67/62/543996762.db2.gz QGZGARUMEXJKKZ-INIZCTEOSA-N 1 3 359.518 2.343 20 0 FEADHO C[NH+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000129575194 544118758 /nfs/dbraw/zinc/11/87/58/544118758.db2.gz DEOGHWBAWYGZAQ-KRWDZBQOSA-N 1 3 358.530 2.416 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000130132113 544139702 /nfs/dbraw/zinc/13/97/02/544139702.db2.gz UZRBRWUGUUGJCA-WWGRRREGSA-N 1 3 368.319 2.497 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000130132113 544139703 /nfs/dbraw/zinc/13/97/03/544139703.db2.gz UZRBRWUGUUGJCA-WWGRRREGSA-N 1 3 368.319 2.497 20 0 FEADHO OC1CCN(Cc2ccc(C[NH2+]C3CCN(CC(F)F)CC3)cc2)CC1 ZINC000132693694 544240709 /nfs/dbraw/zinc/24/07/09/544240709.db2.gz RVVDKDLHXXPVBQ-UHFFFAOYSA-N 1 3 367.484 2.462 20 0 FEADHO CN1CCN(CCCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000147533771 544446763 /nfs/dbraw/zinc/44/67/63/544446763.db2.gz QOSKSNOLBQUEMU-UHFFFAOYSA-N 1 3 372.557 2.430 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000154219645 544877335 /nfs/dbraw/zinc/87/73/35/544877335.db2.gz SHSJSUVTMICJLO-QGZVFWFLSA-N 1 3 360.502 2.321 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000154618422 544928264 /nfs/dbraw/zinc/92/82/64/544928264.db2.gz FMLAEFIRXWCMOB-LMMKCTJWSA-N 1 3 351.535 2.114 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1cccc(OCCN2CCOCC2)c1 ZINC000155165642 544996784 /nfs/dbraw/zinc/99/67/84/544996784.db2.gz FUWYQSUWHUPTPX-LQWHRVPQSA-N 1 3 361.530 2.216 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cccc(OCCN2CCOCC2)c1 ZINC000155165642 544996785 /nfs/dbraw/zinc/99/67/85/544996785.db2.gz FUWYQSUWHUPTPX-LQWHRVPQSA-N 1 3 361.530 2.216 20 0 FEADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155165642 544996789 /nfs/dbraw/zinc/99/67/89/544996789.db2.gz FUWYQSUWHUPTPX-LQWHRVPQSA-N 1 3 361.530 2.216 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000181975821 327755267 /nfs/dbraw/zinc/75/52/67/327755267.db2.gz SCTDQRZFSIEPCI-UFYCRDLUSA-N 1 3 371.525 2.415 20 0 FEADHO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000183160609 327804789 /nfs/dbraw/zinc/80/47/89/327804789.db2.gz UJCKNLMOARALDA-ROUUACIJSA-N 1 3 351.516 2.243 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H](CCO)C1CCCCC1)c1ccccc1 ZINC000184628496 327876042 /nfs/dbraw/zinc/87/60/42/327876042.db2.gz QVFMTCZLAMNLIX-VQTJNVASSA-N 1 3 361.530 2.326 20 0 FEADHO CCO[C@H]1C[C@@](N)(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000186701035 327976876 /nfs/dbraw/zinc/97/68/76/327976876.db2.gz CEPHNHBTQRJXQL-GHTZIAJQSA-N 1 3 359.514 2.300 20 0 FEADHO CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)CC[NH+](C)C)c2C1 ZINC000187466613 328027828 /nfs/dbraw/zinc/02/78/28/328027828.db2.gz PJPCTSWZMCSCIB-OAHLLOKOSA-N 1 3 360.502 2.005 20 0 FEADHO COC[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CCOCC1 ZINC000187970045 328057431 /nfs/dbraw/zinc/05/74/31/328057431.db2.gz DVZVQHKYQYGWGF-NRFANRHFSA-N 1 3 362.514 2.175 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)cc1 ZINC000189416980 328146893 /nfs/dbraw/zinc/14/68/93/328146893.db2.gz KKWJONWEXQJWCN-KRWDZBQOSA-N 1 3 374.529 2.458 20 0 FEADHO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191462455 328266963 /nfs/dbraw/zinc/26/69/63/328266963.db2.gz HHSBFADXPOBSOY-VQTJNVASSA-N 1 3 366.594 2.419 20 0 FEADHO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191462455 328266965 /nfs/dbraw/zinc/26/69/65/328266965.db2.gz HHSBFADXPOBSOY-VQTJNVASSA-N 1 3 366.594 2.419 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)CC1 ZINC000192743765 328336940 /nfs/dbraw/zinc/33/69/40/328336940.db2.gz KLHKPUALAJSBBT-IBGZPJMESA-N 1 3 370.545 2.325 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)CC1 ZINC000192743765 328336941 /nfs/dbraw/zinc/33/69/41/328336941.db2.gz KLHKPUALAJSBBT-IBGZPJMESA-N 1 3 370.545 2.325 20 0 FEADHO CCC(CC)[C@@H](CNC(=O)NC1CCN(CCOC)CC1)[NH+]1CCCC1 ZINC000195140015 328458063 /nfs/dbraw/zinc/45/80/63/328458063.db2.gz ZTEIPCWXVJESMP-LJQANCHMSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@@]1(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000237579236 328521004 /nfs/dbraw/zinc/52/10/04/328521004.db2.gz BBEUIYZAMCATQG-OAQYLSRUSA-N 1 3 359.514 2.174 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)c1 ZINC000237719193 328525850 /nfs/dbraw/zinc/52/58/50/328525850.db2.gz VRIMASUQSRYZPH-OAQYLSRUSA-N 1 3 366.509 2.323 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@](C)(O)CSC)CC1 ZINC000088727736 325299872 /nfs/dbraw/zinc/29/98/72/325299872.db2.gz KVORSUVEPNWUTD-IBGZPJMESA-N 1 3 351.560 2.422 20 0 FEADHO C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000089618964 325324106 /nfs/dbraw/zinc/32/41/06/325324106.db2.gz UXWABPLQMQARKY-XJKSGUPXSA-N 1 3 373.419 2.441 20 0 FEADHO O=C(CNC[C@@H]1CCCO1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000237903267 328533713 /nfs/dbraw/zinc/53/37/13/328533713.db2.gz MIKMKHKBGCNEAX-FQEVSTJZSA-N 1 3 359.514 2.447 20 0 FEADHO C[C@H](NC(=O)NCc1cccc(OCCN(C)C)c1)C(C)(C)C[NH+](C)C ZINC000119397533 326158103 /nfs/dbraw/zinc/15/81/03/326158103.db2.gz ACCMXMWXHAGYBE-INIZCTEOSA-N 1 3 364.534 2.403 20 0 FEADHO CC(C)OC(=O)CCN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120325134 326250121 /nfs/dbraw/zinc/25/01/21/326250121.db2.gz IUJMNSMEWLXNCJ-UHFFFAOYSA-N 1 3 367.534 2.032 20 0 FEADHO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000163292626 327047990 /nfs/dbraw/zinc/04/79/90/327047990.db2.gz FBOSYKCMZOOYRM-OAQYLSRUSA-N 1 3 373.541 2.447 20 0 FEADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171331367 327132576 /nfs/dbraw/zinc/13/25/76/327132576.db2.gz QSONDNZHMHCICX-KURKYZTESA-N 1 3 368.566 2.248 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NCc2cccc(OCCN(C)C)c2)CC[N@@H+]1C ZINC000173755116 327281661 /nfs/dbraw/zinc/28/16/61/327281661.db2.gz BZTBUACCXSNFLF-SJLPKXTDSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NCc2cccc(OCCN(C)C)c2)CC[N@H+]1C ZINC000173755116 327281662 /nfs/dbraw/zinc/28/16/62/327281662.db2.gz BZTBUACCXSNFLF-SJLPKXTDSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCN1C ZINC000173755116 327281663 /nfs/dbraw/zinc/28/16/63/327281663.db2.gz BZTBUACCXSNFLF-SJLPKXTDSA-N 1 3 362.518 2.251 20 0 FEADHO C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)n1 ZINC000173945358 327296367 /nfs/dbraw/zinc/29/63/67/327296367.db2.gz RQBNFVKHGHEHEE-GOSISDBHSA-N 1 3 370.501 2.231 20 0 FEADHO C[C@@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)N(C)Cc1ccccc1 ZINC000173945181 327296447 /nfs/dbraw/zinc/29/64/47/327296447.db2.gz ADCBDRCBECJPRI-INIZCTEOSA-N 1 3 358.490 2.087 20 0 FEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173948208 327296720 /nfs/dbraw/zinc/29/67/20/327296720.db2.gz UVQYSHXKEFTYEF-HNNXBMFYSA-N 1 3 350.511 2.077 20 0 FEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173948208 327296722 /nfs/dbraw/zinc/29/67/22/327296722.db2.gz UVQYSHXKEFTYEF-HNNXBMFYSA-N 1 3 350.511 2.077 20 0 FEADHO Cc1ccc(F)cc1NC(=O)[C@@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174712365 327344905 /nfs/dbraw/zinc/34/49/05/327344905.db2.gz YFKAYGZUAOQAGZ-MRXNPFEDSA-N 1 3 350.482 2.030 20 0 FEADHO C[C@@H](CNC(=O)[C@@H]1CCCCN1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000174830935 327353993 /nfs/dbraw/zinc/35/39/93/327353993.db2.gz UCWSCHJVWZVCFA-FPOVZHCZSA-N 1 3 372.557 2.041 20 0 FEADHO C[C@H](CCNC(=O)Nc1ccn(CCN(C)C)n1)[N@H+](C)Cc1ccccc1 ZINC000174882117 327358025 /nfs/dbraw/zinc/35/80/25/327358025.db2.gz ZILMJIQSRLILIE-QGZVFWFLSA-N 1 3 372.517 2.477 20 0 FEADHO C[C@H](CCNC(=O)Nc1ccn(CCN(C)C)n1)[N@@H+](C)Cc1ccccc1 ZINC000174882117 327358026 /nfs/dbraw/zinc/35/80/26/327358026.db2.gz ZILMJIQSRLILIE-QGZVFWFLSA-N 1 3 372.517 2.477 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cnc1OC ZINC000174991022 327366209 /nfs/dbraw/zinc/36/62/09/327366209.db2.gz QXUJPLSUZUKHRS-MRXNPFEDSA-N 1 3 363.506 2.278 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cnc1OC ZINC000174991022 327366210 /nfs/dbraw/zinc/36/62/10/327366210.db2.gz QXUJPLSUZUKHRS-MRXNPFEDSA-N 1 3 363.506 2.278 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000175100127 327374009 /nfs/dbraw/zinc/37/40/09/327374009.db2.gz SMTKKONYGINTEY-YLJYHZDGSA-N 1 3 358.530 2.383 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000175100127 327374010 /nfs/dbraw/zinc/37/40/10/327374010.db2.gz SMTKKONYGINTEY-YLJYHZDGSA-N 1 3 358.530 2.383 20 0 FEADHO NC1(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)Cc2ccccc2C1 ZINC000178688172 327600552 /nfs/dbraw/zinc/60/05/52/327600552.db2.gz IRGXKJZOGLZABD-UHFFFAOYSA-N 1 3 363.505 2.306 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000268124419 329388029 /nfs/dbraw/zinc/38/80/29/329388029.db2.gz MMYCEOBXQWFEMT-UTKZUKDTSA-N 1 3 370.541 2.475 20 0 FEADHO [NH3+]CC1(CC(=O)NCCCN2CCN(c3ccncc3)CC2)CCCCC1 ZINC000274268671 329932784 /nfs/dbraw/zinc/93/27/84/329932784.db2.gz MDKWXVHEUZTNPZ-UHFFFAOYSA-N 1 3 373.545 2.009 20 0 FEADHO Cc1ccccc1NC(=O)CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367026774 330208429 /nfs/dbraw/zinc/20/84/29/330208429.db2.gz COHWCLVJBWMHJB-ICSRJNTNSA-N 1 3 358.530 2.281 20 0 FEADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000157108792 545700890 /nfs/dbraw/zinc/70/08/90/545700890.db2.gz RXXIZZAELSPQJY-TZIWHRDSSA-N 1 3 370.541 2.141 20 0 FEADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000157108792 545700895 /nfs/dbraw/zinc/70/08/95/545700895.db2.gz RXXIZZAELSPQJY-TZIWHRDSSA-N 1 3 370.541 2.141 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)cc2)CC1 ZINC000157229409 545716855 /nfs/dbraw/zinc/71/68/55/545716855.db2.gz IILDJQXWSHXASD-PZJWPPBQSA-N 1 3 370.541 2.385 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)cc2)CC1 ZINC000157229409 545716858 /nfs/dbraw/zinc/71/68/58/545716858.db2.gz IILDJQXWSHXASD-PZJWPPBQSA-N 1 3 370.541 2.385 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000477590346 561148735 /nfs/dbraw/zinc/14/87/35/561148735.db2.gz LNKIZXQXMNGXGU-UHFFFAOYSA-N 1 3 365.543 2.434 20 0 FEADHO [NH3+][C@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000158347903 545851921 /nfs/dbraw/zinc/85/19/21/545851921.db2.gz WVFOUODSSQZNIO-DOTOQJQBSA-N 1 3 355.404 2.391 20 0 FEADHO CCNC(=O)COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1OC ZINC000159222708 545933120 /nfs/dbraw/zinc/93/31/20/545933120.db2.gz DJBHXKVYURMCHS-ZMSDIMECSA-N 1 3 363.502 2.028 20 0 FEADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000479356820 561188110 /nfs/dbraw/zinc/18/81/10/561188110.db2.gz GHYPEWDJJPIYKM-HUUCEWRRSA-N 1 3 351.516 2.086 20 0 FEADHO CC1CC[NH+](CCNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000479380215 561188561 /nfs/dbraw/zinc/18/85/61/561188561.db2.gz JAWPLFWYZUSHQX-SFHVURJKSA-N 1 3 350.482 2.460 20 0 FEADHO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000479690693 561195030 /nfs/dbraw/zinc/19/50/30/561195030.db2.gz KLFKGICLYUZMRT-INIZCTEOSA-N 1 3 362.493 2.160 20 0 FEADHO COCCCN(C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000175737450 546342511 /nfs/dbraw/zinc/34/25/11/546342511.db2.gz ZRHDNWBRZQCROW-IBGZPJMESA-N 1 3 368.566 2.108 20 0 FEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C1 ZINC000176097552 546406540 /nfs/dbraw/zinc/40/65/40/546406540.db2.gz SULKLMGNYHFGMX-SFHVURJKSA-N 1 3 374.529 2.185 20 0 FEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C1 ZINC000176097552 546406546 /nfs/dbraw/zinc/40/65/46/546406546.db2.gz SULKLMGNYHFGMX-SFHVURJKSA-N 1 3 374.529 2.185 20 0 FEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176380840 546438519 /nfs/dbraw/zinc/43/85/19/546438519.db2.gz XDIUODVVXBHEPF-IBGZPJMESA-N 1 3 368.566 2.440 20 0 FEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176380840 546438523 /nfs/dbraw/zinc/43/85/23/546438523.db2.gz XDIUODVVXBHEPF-IBGZPJMESA-N 1 3 368.566 2.440 20 0 FEADHO Cc1cnc([C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000176479729 546452102 /nfs/dbraw/zinc/45/21/02/546452102.db2.gz KASFGJWDWWNOCW-AWEZNQCLSA-N 1 3 365.547 2.370 20 0 FEADHO COCCN(CCN(C)C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176488871 546453709 /nfs/dbraw/zinc/45/37/09/546453709.db2.gz HNIXHDFCPFSBHY-UHFFFAOYSA-N 1 3 354.539 2.003 20 0 FEADHO CC[NH+](CC)CCNC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177337876 546596243 /nfs/dbraw/zinc/59/62/43/546596243.db2.gz NRGNORLXLJHVRU-ROUUACIJSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481064884 561224406 /nfs/dbraw/zinc/22/44/06/561224406.db2.gz WJNVBGYTEWTLSN-WMZOPIPTSA-N 1 3 356.580 2.235 20 0 FEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481064884 561224407 /nfs/dbraw/zinc/22/44/07/561224407.db2.gz WJNVBGYTEWTLSN-WMZOPIPTSA-N 1 3 356.580 2.235 20 0 FEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481260505 561229141 /nfs/dbraw/zinc/22/91/41/561229141.db2.gz DIXNWYQQZFZUDR-QAPCUYQASA-N 1 3 356.580 2.233 20 0 FEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481260505 561229142 /nfs/dbraw/zinc/22/91/42/561229142.db2.gz DIXNWYQQZFZUDR-QAPCUYQASA-N 1 3 356.580 2.233 20 0 FEADHO CN(C)[C@]1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCSC1 ZINC000481777408 561241844 /nfs/dbraw/zinc/24/18/44/561241844.db2.gz JQDLOIJAGREDHU-AEFFLSMTSA-N 1 3 354.564 2.084 20 0 FEADHO CN(C)[C@]1(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCSC1 ZINC000481787205 561242295 /nfs/dbraw/zinc/24/22/95/561242295.db2.gz WWHAUVSLUBIQRA-SFHVURJKSA-N 1 3 354.564 2.084 20 0 FEADHO CN(C)[C@]1(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCSC1 ZINC000481787205 561242296 /nfs/dbraw/zinc/24/22/96/561242296.db2.gz WWHAUVSLUBIQRA-SFHVURJKSA-N 1 3 354.564 2.084 20 0 FEADHO CC[C@@H]([NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(=O)N1CCOCC1 ZINC000180170223 547062159 /nfs/dbraw/zinc/06/21/59/547062159.db2.gz UHDUCXBBFHILSI-BURNTYAHSA-N 1 3 371.525 2.124 20 0 FEADHO CC[C@@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(=O)N1CCOCC1 ZINC000180170195 547062355 /nfs/dbraw/zinc/06/23/55/547062355.db2.gz UHDUCXBBFHILSI-UWHLTILDSA-N 1 3 371.525 2.124 20 0 FEADHO CCO[C@@H]1C[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H]1OC ZINC000482506429 561255159 /nfs/dbraw/zinc/25/51/59/561255159.db2.gz ZGQPSVJEBRLHKD-TYPHKJRUSA-N 1 3 361.530 2.499 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1N(C)C ZINC000482560321 561256075 /nfs/dbraw/zinc/25/60/75/561256075.db2.gz AAEJVBAQKQPWQG-HUUCEWRRSA-N 1 3 350.482 2.130 20 0 FEADHO C[C@@H]1C[C@H](NCCNC(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000180834760 547189269 /nfs/dbraw/zinc/18/92/69/547189269.db2.gz MOLGILWCJACPPZ-IUODEOHRSA-N 1 3 354.292 2.251 20 0 FEADHO C[C@@H]1C[C@H](NCCNC(=O)c2cccc(Br)c2)CC[N@H+]1C ZINC000180834760 547189271 /nfs/dbraw/zinc/18/92/71/547189271.db2.gz MOLGILWCJACPPZ-IUODEOHRSA-N 1 3 354.292 2.251 20 0 FEADHO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180951828 547218672 /nfs/dbraw/zinc/21/86/72/547218672.db2.gz PMIDITZELQECNN-OKZBNKHCSA-N 1 3 352.567 2.122 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000182306436 547471363 /nfs/dbraw/zinc/47/13/63/547471363.db2.gz FHBWJYMOMBNJBU-QUCCMNQESA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000182306436 547471367 /nfs/dbraw/zinc/47/13/67/547471367.db2.gz FHBWJYMOMBNJBU-QUCCMNQESA-N 1 3 374.529 2.253 20 0 FEADHO C[C@@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)N1CCCC[C@@H]1C ZINC000483717312 561282700 /nfs/dbraw/zinc/28/27/00/561282700.db2.gz WQEZSCXAXHZBOC-ROUUACIJSA-N 1 3 368.566 2.392 20 0 FEADHO NC(=O)C1(C[NH2+][C@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000183128585 547607308 /nfs/dbraw/zinc/60/73/08/547607308.db2.gz OEWVRFZFDLPXOQ-AQNXPRMDSA-N 1 3 371.525 2.159 20 0 FEADHO CC1(CNC(=O)CCCN2CCN(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000183340400 547641071 /nfs/dbraw/zinc/64/10/71/547641071.db2.gz PMXQFQHSUGYKJL-UHFFFAOYSA-N 1 3 358.530 2.095 20 0 FEADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000484442575 561298010 /nfs/dbraw/zinc/29/80/10/561298010.db2.gz QDPGNBWLGYAGAS-HOJAQTOUSA-N 1 3 358.530 2.428 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CCN1Cc1ccccc1 ZINC000485817438 561328880 /nfs/dbraw/zinc/32/88/80/561328880.db2.gz PCNDKLMJQLBOLC-NJAFHUGGSA-N 1 3 367.497 2.270 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC[C@@H]3CCCCO3)CC2)CC1 ZINC000186427770 548134117 /nfs/dbraw/zinc/13/41/17/548134117.db2.gz WWAPNTQNMAWYMH-IBGZPJMESA-N 1 3 366.550 2.194 20 0 FEADHO C[C@@H](O)CN(CC(O)C[N@H+](C[C@@H](C)O)C1CCCCC1)C1CCCCC1 ZINC000194478064 548489145 /nfs/dbraw/zinc/48/91/45/548489145.db2.gz ZNGUAXIEPLLILL-QZTJIDSGSA-N 1 3 370.578 2.378 20 0 FEADHO C[C@@H](O)CN(CC(O)C[N@@H+](C[C@@H](C)O)C1CCCCC1)C1CCCCC1 ZINC000194478064 548489148 /nfs/dbraw/zinc/48/91/48/548489148.db2.gz ZNGUAXIEPLLILL-QZTJIDSGSA-N 1 3 370.578 2.378 20 0 FEADHO CC[NH+](CC)CCSCC(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000487114035 561364173 /nfs/dbraw/zinc/36/41/73/561364173.db2.gz PLHXMTKFCYQVRB-HZPDHXFCSA-N 1 3 359.605 2.100 20 0 FEADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000487530284 561371378 /nfs/dbraw/zinc/37/13/78/561371378.db2.gz AYWDRMLRWBNFGO-NRFANRHFSA-N 1 3 356.514 2.388 20 0 FEADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000487530284 561371379 /nfs/dbraw/zinc/37/13/79/561371379.db2.gz AYWDRMLRWBNFGO-NRFANRHFSA-N 1 3 356.514 2.388 20 0 FEADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000237192224 548806446 /nfs/dbraw/zinc/80/64/46/548806446.db2.gz QXEASKRTADELRG-HXUWFJFHSA-N 1 3 359.514 2.126 20 0 FEADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000237192224 548806450 /nfs/dbraw/zinc/80/64/50/548806450.db2.gz QXEASKRTADELRG-HXUWFJFHSA-N 1 3 359.514 2.126 20 0 FEADHO C[C@@H](CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)C1CC[NH2+]CC1 ZINC000237382612 548821878 /nfs/dbraw/zinc/82/18/78/548821878.db2.gz RFVLOCBGYMNYEL-AWEZNQCLSA-N 1 3 374.485 2.120 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@]3(C)CCCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000237606574 548838364 /nfs/dbraw/zinc/83/83/64/548838364.db2.gz KQCJBDQHCBEJGX-FUHIMQAGSA-N 1 3 351.535 2.257 20 0 FEADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000237908591 548862825 /nfs/dbraw/zinc/86/28/25/548862825.db2.gz SQTDEFHBWBXXCJ-AZUAARDMSA-N 1 3 358.530 2.223 20 0 FEADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000237972359 548868830 /nfs/dbraw/zinc/86/88/30/548868830.db2.gz SQTDEFHBWBXXCJ-QUCCMNQESA-N 1 3 358.530 2.223 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000245444400 548922739 /nfs/dbraw/zinc/92/27/39/548922739.db2.gz XZKXIIHSPOVVPX-XLIONFOSSA-N 1 3 358.530 2.241 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000245444400 548922743 /nfs/dbraw/zinc/92/27/43/548922743.db2.gz XZKXIIHSPOVVPX-XLIONFOSSA-N 1 3 358.530 2.241 20 0 FEADHO C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)N1CCN(C)CC1 ZINC000245664245 548969365 /nfs/dbraw/zinc/96/93/65/548969365.db2.gz GIGYEQBIPMUAPZ-JKLQHZFJSA-N 1 3 356.558 2.408 20 0 FEADHO C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCN(C)CC1 ZINC000245664245 548969368 /nfs/dbraw/zinc/96/93/68/548969368.db2.gz GIGYEQBIPMUAPZ-JKLQHZFJSA-N 1 3 356.558 2.408 20 0 FEADHO C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCN(C)CC1 ZINC000245664245 548969371 /nfs/dbraw/zinc/96/93/71/548969371.db2.gz GIGYEQBIPMUAPZ-JKLQHZFJSA-N 1 3 356.558 2.408 20 0 FEADHO CC(C)C[C@H](CNC(=O)[C@@H]1CN2CCN1CCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000488279816 561387377 /nfs/dbraw/zinc/38/73/77/561387377.db2.gz JRXILZWMXCTEQB-TYPHKJRUSA-N 1 3 372.557 2.258 20 0 FEADHO C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CN3CCN2CCC3)CCCC1)c1ccccc1 ZINC000488360804 561388587 /nfs/dbraw/zinc/38/85/87/561388587.db2.gz PGJOHSLUMWCBCA-QUCCMNQESA-N 1 3 370.541 2.156 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)[C@@H](C)C1 ZINC000246340157 549110001 /nfs/dbraw/zinc/11/00/01/549110001.db2.gz OICGTQQPUHDRGJ-CADBVGFASA-N 1 3 368.566 2.105 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)[C@@H](C)C1 ZINC000246340157 549110003 /nfs/dbraw/zinc/11/00/03/549110003.db2.gz OICGTQQPUHDRGJ-CADBVGFASA-N 1 3 368.566 2.105 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccccc2OC)[C@H](C)C1 ZINC000246559722 549161702 /nfs/dbraw/zinc/16/17/02/549161702.db2.gz KUUGPULIQNRTLW-QRQLOZEOSA-N 1 3 350.503 2.235 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COCc2ccccc2OC)[C@H](C)C1 ZINC000246559722 549161706 /nfs/dbraw/zinc/16/17/06/549161706.db2.gz KUUGPULIQNRTLW-QRQLOZEOSA-N 1 3 350.503 2.235 20 0 FEADHO C[C@@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)N1CCCCCC1 ZINC000246664551 549184080 /nfs/dbraw/zinc/18/40/80/549184080.db2.gz FNKRKCJKKKOXPA-ZCNNSNEGSA-N 1 3 364.578 2.268 20 0 FEADHO C[C@@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)N1CCCCCC1 ZINC000246664551 549184085 /nfs/dbraw/zinc/18/40/85/549184085.db2.gz FNKRKCJKKKOXPA-ZCNNSNEGSA-N 1 3 364.578 2.268 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000248393298 549427130 /nfs/dbraw/zinc/42/71/30/549427130.db2.gz GLRUIFOGXXXWCZ-HALDLXJZSA-N 1 3 357.420 2.411 20 0 FEADHO NC(=O)C1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000248403137 549429096 /nfs/dbraw/zinc/42/90/96/549429096.db2.gz OEWVRFZFDLPXOQ-SLFFLAALSA-N 1 3 371.525 2.159 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000248707558 549488475 /nfs/dbraw/zinc/48/84/75/549488475.db2.gz AYTNONGOWNQTMJ-RLLQIKCJSA-N 1 3 354.498 2.163 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000248707558 549488477 /nfs/dbraw/zinc/48/84/77/549488477.db2.gz AYTNONGOWNQTMJ-RLLQIKCJSA-N 1 3 354.498 2.163 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000248763401 549497933 /nfs/dbraw/zinc/49/79/33/549497933.db2.gz GTRHAPBQVGSIAM-UMGGQSCQSA-N 1 3 358.530 2.489 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000248763401 549497936 /nfs/dbraw/zinc/49/79/36/549497936.db2.gz GTRHAPBQVGSIAM-UMGGQSCQSA-N 1 3 358.530 2.489 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000248763390 549498026 /nfs/dbraw/zinc/49/80/26/549498026.db2.gz GTRHAPBQVGSIAM-JYBIWHBTSA-N 1 3 358.530 2.489 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000248763390 549498028 /nfs/dbraw/zinc/49/80/28/549498028.db2.gz GTRHAPBQVGSIAM-JYBIWHBTSA-N 1 3 358.530 2.489 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000248796988 549503228 /nfs/dbraw/zinc/50/32/28/549503228.db2.gz UHYJVVSSTRWMGW-QFBILLFUSA-N 1 3 374.529 2.408 20 0 FEADHO COc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)N2CCOCC2)cc1 ZINC000249042522 549541136 /nfs/dbraw/zinc/54/11/36/549541136.db2.gz VGESMLZWXFSQJE-SMLSOGCJSA-N 1 3 359.514 2.283 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N2CCC(C)CC2)[C@@H](C)C1 ZINC000249442504 549592359 /nfs/dbraw/zinc/59/23/59/549592359.db2.gz MNCCTICJJFKMFW-OTWHNJEPSA-N 1 3 353.551 2.360 20 0 FEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000252735240 549678450 /nfs/dbraw/zinc/67/84/50/549678450.db2.gz JRRLABRVVWVZLN-BBWFWOEESA-N 1 3 362.518 2.118 20 0 FEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000252735240 549678453 /nfs/dbraw/zinc/67/84/53/549678453.db2.gz JRRLABRVVWVZLN-BBWFWOEESA-N 1 3 362.518 2.118 20 0 FEADHO CN1CCC(CNC(=O)C[C@@H](N)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000262746419 549845452 /nfs/dbraw/zinc/84/54/52/549845452.db2.gz BBLHLXHLBQNKPX-LJQANCHMSA-N 1 3 358.530 2.143 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262846894 549855616 /nfs/dbraw/zinc/85/56/16/549855616.db2.gz UOFPUPHHFSLHJQ-HNNXBMFYSA-N 1 3 361.515 2.073 20 0 FEADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])cc2)CC1 ZINC000263107456 549878198 /nfs/dbraw/zinc/87/81/98/549878198.db2.gz ABZLLZFHEQFJTB-IFMALSPDSA-N 1 3 372.557 2.348 20 0 FEADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000263121140 549878997 /nfs/dbraw/zinc/87/89/97/549878997.db2.gz AWLCNEYARKGBDH-PZJWPPBQSA-N 1 3 359.514 2.167 20 0 FEADHO CCOc1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000263725773 549927010 /nfs/dbraw/zinc/92/70/10/549927010.db2.gz MGKGDIQSJLZMLJ-UHFFFAOYSA-N 1 3 374.529 2.443 20 0 FEADHO C[C@@H]1CN(CCOCCOc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490994955 561441532 /nfs/dbraw/zinc/44/15/32/561441532.db2.gz MSZQHEVSCBLQRC-CTNGQTDRSA-N 1 3 361.530 2.040 20 0 FEADHO C[C@@H]1C[N@H+](CCOCCOc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490994955 561441533 /nfs/dbraw/zinc/44/15/33/561441533.db2.gz MSZQHEVSCBLQRC-CTNGQTDRSA-N 1 3 361.530 2.040 20 0 FEADHO C[C@@H]1C[N@@H+](CCOCCOc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000490994955 561441534 /nfs/dbraw/zinc/44/15/34/561441534.db2.gz MSZQHEVSCBLQRC-CTNGQTDRSA-N 1 3 361.530 2.040 20 0 FEADHO CC(C)N1C[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)CC1=O ZINC000268356837 550054024 /nfs/dbraw/zinc/05/40/24/550054024.db2.gz OOAIKOOAHHCQDH-SFHVURJKSA-N 1 3 358.530 2.316 20 0 FEADHO C[N@H+](Cc1ccccc1CNC(=O)C[C@H]1CNCCO1)C1CCCCC1 ZINC000269239334 550171420 /nfs/dbraw/zinc/17/14/20/550171420.db2.gz IPSNBJPUEZOAQX-FQEVSTJZSA-N 1 3 359.514 2.446 20 0 FEADHO C[N@@H+](Cc1ccccc1CNC(=O)C[C@H]1CNCCO1)C1CCCCC1 ZINC000269239334 550171422 /nfs/dbraw/zinc/17/14/22/550171422.db2.gz IPSNBJPUEZOAQX-FQEVSTJZSA-N 1 3 359.514 2.446 20 0 FEADHO O=C(C[C@H]1CNCCO1)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000269264367 550173426 /nfs/dbraw/zinc/17/34/26/550173426.db2.gz OIKVLKAINIWTGC-NRFANRHFSA-N 1 3 373.541 2.216 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000269277934 550175473 /nfs/dbraw/zinc/17/54/73/550175473.db2.gz YONFKONXSQQTQO-HOJAQTOUSA-N 1 3 359.514 2.206 20 0 FEADHO COc1ccc([C@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)N2CCCC2)cc1 ZINC000271824763 550404472 /nfs/dbraw/zinc/40/44/72/550404472.db2.gz PRPYOZRJNKICOX-FQEVSTJZSA-N 1 3 372.513 2.393 20 0 FEADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271864578 550407419 /nfs/dbraw/zinc/40/74/19/550407419.db2.gz OXIONUUBGZPTID-CVEARBPZSA-N 1 3 353.532 2.497 20 0 FEADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271864578 550407420 /nfs/dbraw/zinc/40/74/20/550407420.db2.gz OXIONUUBGZPTID-CVEARBPZSA-N 1 3 353.532 2.497 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2nccnc21 ZINC000273254961 550491816 /nfs/dbraw/zinc/49/18/16/550491816.db2.gz JTYDKIGDHFNUAL-MRXNPFEDSA-N 1 3 355.486 2.118 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2nccnc21 ZINC000273254961 550491817 /nfs/dbraw/zinc/49/18/17/550491817.db2.gz JTYDKIGDHFNUAL-MRXNPFEDSA-N 1 3 355.486 2.118 20 0 FEADHO CN(CCNC(=O)C1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000494540733 561471353 /nfs/dbraw/zinc/47/13/53/561471353.db2.gz DVONGACUQXBXGB-FQEVSTJZSA-N 1 3 359.514 2.126 20 0 FEADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)CN1CCN(C)CC1 ZINC000274950323 550566976 /nfs/dbraw/zinc/56/69/76/550566976.db2.gz VAKKBUHBYJOHSM-KCZVDYSFSA-N 1 3 358.574 2.370 20 0 FEADHO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277016225 550622395 /nfs/dbraw/zinc/62/23/95/550622395.db2.gz AAJUKCUVHSXGLY-NRSPTQNISA-N 1 3 372.557 2.182 20 0 FEADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 ZINC000277355735 550660205 /nfs/dbraw/zinc/66/02/05/550660205.db2.gz WWWPRCNYFQIPBP-QGZVFWFLSA-N 1 3 372.513 2.324 20 0 FEADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 ZINC000277355735 550660207 /nfs/dbraw/zinc/66/02/07/550660207.db2.gz WWWPRCNYFQIPBP-QGZVFWFLSA-N 1 3 372.513 2.324 20 0 FEADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CC4(N5CCOCC5)CC4)[C@@H]3C2)cc1 ZINC000278780808 550821020 /nfs/dbraw/zinc/82/10/20/550821020.db2.gz PUIRKWUSIDCTJI-PWRODBHTSA-N 1 3 355.526 2.351 20 0 FEADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCC4(N5CCOCC5)CC4)[C@@H]3C2)cc1 ZINC000278780808 550821022 /nfs/dbraw/zinc/82/10/22/550821022.db2.gz PUIRKWUSIDCTJI-PWRODBHTSA-N 1 3 355.526 2.351 20 0 FEADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCC4(N5CCOCC5)CC4)[C@@H]3C2)cc1 ZINC000278780808 550821024 /nfs/dbraw/zinc/82/10/24/550821024.db2.gz PUIRKWUSIDCTJI-PWRODBHTSA-N 1 3 355.526 2.351 20 0 FEADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279094923 550853415 /nfs/dbraw/zinc/85/34/15/550853415.db2.gz WRDHTXDTBNQSAD-QFBILLFUSA-N 1 3 353.470 2.054 20 0 FEADHO C[C@H]1C[C@@H](C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000279863531 550937188 /nfs/dbraw/zinc/93/71/88/550937188.db2.gz BOMOHFNVRRHWQD-FPOVZHCZSA-N 1 3 372.557 2.089 20 0 FEADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C(C)(C)n1cncn1 ZINC000281142768 551067792 /nfs/dbraw/zinc/06/77/92/551067792.db2.gz ZHXFYPWTFNDMDK-INIZCTEOSA-N 1 3 357.502 2.148 20 0 FEADHO CSc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000496981941 561496826 /nfs/dbraw/zinc/49/68/26/561496826.db2.gz IIVIGSQCZUNTJX-UHFFFAOYSA-N 1 3 363.531 2.484 20 0 FEADHO CC[C@H](C)N[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)c1ccco1 ZINC000497376826 561499696 /nfs/dbraw/zinc/49/96/96/561499696.db2.gz ONBFRMJDEQTQIC-JKSUJKDBSA-N 1 3 366.506 2.119 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000497621829 561504905 /nfs/dbraw/zinc/50/49/05/561504905.db2.gz JOZFTJHPRCQDBI-AEFFLSMTSA-N 1 3 366.550 2.002 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000497621829 561504906 /nfs/dbraw/zinc/50/49/06/561504906.db2.gz JOZFTJHPRCQDBI-AEFFLSMTSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)CCN1C ZINC000498894899 561536961 /nfs/dbraw/zinc/53/69/61/561536961.db2.gz WPCWANNFAGXOMY-WMZOPIPTSA-N 1 3 369.513 2.324 20 0 FEADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000286638127 551909221 /nfs/dbraw/zinc/90/92/21/551909221.db2.gz NQFRHONZXPTWRP-IEBWSBKVSA-N 1 3 374.529 2.395 20 0 FEADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000286912895 551939417 /nfs/dbraw/zinc/93/94/17/551939417.db2.gz AMJWTCYJPCLUST-FXAWDEMLSA-N 1 3 374.529 2.395 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000288210571 552111137 /nfs/dbraw/zinc/11/11/37/552111137.db2.gz UJPRRKHPCONJBG-CCKFTAQKSA-N 1 3 360.502 2.080 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000288210571 552111138 /nfs/dbraw/zinc/11/11/38/552111138.db2.gz UJPRRKHPCONJBG-CCKFTAQKSA-N 1 3 360.502 2.080 20 0 FEADHO C[C@@H]1CC[N@H+](C)CCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000501279604 561593890 /nfs/dbraw/zinc/59/38/90/561593890.db2.gz UMCGJBNIKBBOMQ-LJQANCHMSA-N 1 3 358.530 2.141 20 0 FEADHO C[C@@H]1CC[N@@H+](C)CCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000501279604 561593891 /nfs/dbraw/zinc/59/38/91/561593891.db2.gz UMCGJBNIKBBOMQ-LJQANCHMSA-N 1 3 358.530 2.141 20 0 FEADHO COc1cc(CN(C)CC2(CO)CC2)cc(C[N@H+](C)CC2(CO)CC2)c1 ZINC000292916489 552770965 /nfs/dbraw/zinc/77/09/65/552770965.db2.gz LHZUPAAXQAIPSV-UHFFFAOYSA-N 1 3 362.514 2.104 20 0 FEADHO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(CN3CC[C@H](C)[C@H]3CO)c2)[C@H]1CO ZINC000295854395 553068115 /nfs/dbraw/zinc/06/81/15/553068115.db2.gz BLMQHANBYAGFLR-VVVONTASSA-N 1 3 350.478 2.231 20 0 FEADHO C[C@@H]1CC[N@H+](Cc2ccc(F)c(CN3CC[C@H](C)[C@H]3CO)c2)[C@H]1CO ZINC000295854395 553068117 /nfs/dbraw/zinc/06/81/17/553068117.db2.gz BLMQHANBYAGFLR-VVVONTASSA-N 1 3 350.478 2.231 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000297387203 553286042 /nfs/dbraw/zinc/28/60/42/553286042.db2.gz WRFZGHLYSNRPSI-OAQYLSRUSA-N 1 3 374.529 2.254 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000297387203 553286044 /nfs/dbraw/zinc/28/60/44/553286044.db2.gz WRFZGHLYSNRPSI-OAQYLSRUSA-N 1 3 374.529 2.254 20 0 FEADHO CC[NH+]1CCN(Cc2ccccc2CNCc2cn3cccnc3n2)CC1 ZINC000298484721 553431013 /nfs/dbraw/zinc/43/10/13/553431013.db2.gz PRTNBRKKAJOOED-UHFFFAOYSA-N 1 3 364.497 2.157 20 0 FEADHO COC(=O)COc1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298551211 553439507 /nfs/dbraw/zinc/43/95/07/553439507.db2.gz UTAYJKMAGDPJFX-UHFFFAOYSA-N 1 3 355.438 2.392 20 0 FEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000503828293 561648725 /nfs/dbraw/zinc/64/87/25/561648725.db2.gz JQQXJAZPQSDNRY-HBMCJLEFSA-N 1 3 373.541 2.250 20 0 FEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000503828293 561648726 /nfs/dbraw/zinc/64/87/26/561648726.db2.gz JQQXJAZPQSDNRY-HBMCJLEFSA-N 1 3 373.541 2.250 20 0 FEADHO COc1ccc(C[NH+]2CCC(CNC(=O)N3CCCN(C)CC3)CC2)cc1 ZINC000299293807 553543712 /nfs/dbraw/zinc/54/37/12/553543712.db2.gz AATGZXHSRPHQDU-UHFFFAOYSA-N 1 3 374.529 2.254 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000299710800 553605076 /nfs/dbraw/zinc/60/50/76/553605076.db2.gz IHTKJRXCDBWOKT-QFBILLFUSA-N 1 3 373.497 2.163 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000299710800 553605077 /nfs/dbraw/zinc/60/50/77/553605077.db2.gz IHTKJRXCDBWOKT-QFBILLFUSA-N 1 3 373.497 2.163 20 0 FEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(=O)OC)s1 ZINC000299717930 553606658 /nfs/dbraw/zinc/60/66/58/553606658.db2.gz LKGFUPSIMFYWBZ-CQSZACIVSA-N 1 3 367.515 2.023 20 0 FEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000504549197 561659718 /nfs/dbraw/zinc/65/97/18/561659718.db2.gz ZRFMSQANWYSBJH-RWQQGDIJSA-N 1 3 371.591 2.337 20 0 FEADHO O=C(NCCC[NH+]1CCCC1)NCC1(N2CCSCC2)CCCC1 ZINC000504965900 561664675 /nfs/dbraw/zinc/66/46/75/561664675.db2.gz SFNDFFYJCYJDNP-UHFFFAOYSA-N 1 3 354.564 2.133 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nc(C(C)C)no1 ZINC000505753940 561679500 /nfs/dbraw/zinc/67/95/00/561679500.db2.gz ASCXOLOOXFPCGT-MRXNPFEDSA-N 1 3 365.522 2.000 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nc(C(C)C)no1 ZINC000505753940 561679502 /nfs/dbraw/zinc/67/95/02/561679502.db2.gz ASCXOLOOXFPCGT-MRXNPFEDSA-N 1 3 365.522 2.000 20 0 FEADHO CCN1CCC(NC(=O)CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506478578 561699887 /nfs/dbraw/zinc/69/98/87/561699887.db2.gz GVGMDZQYGUQQLV-RTBURBONSA-N 1 3 364.578 2.173 20 0 FEADHO CCN1CCC(NC(=O)CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506478578 561699888 /nfs/dbraw/zinc/69/98/88/561699888.db2.gz GVGMDZQYGUQQLV-RTBURBONSA-N 1 3 364.578 2.173 20 0 FEADHO CC(C)N(C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507270523 561723203 /nfs/dbraw/zinc/72/32/03/561723203.db2.gz RFYSQEHVTWKNIX-FQEVSTJZSA-N 1 3 373.541 2.372 20 0 FEADHO CC(C)N(C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507270523 561723205 /nfs/dbraw/zinc/72/32/05/561723205.db2.gz RFYSQEHVTWKNIX-FQEVSTJZSA-N 1 3 373.541 2.372 20 0 FEADHO COCC(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000507472335 561730249 /nfs/dbraw/zinc/73/02/49/561730249.db2.gz QUXAGWYZLRKHDO-HMXCVIKNSA-N 1 3 371.525 2.124 20 0 FEADHO CN1CCC2(CC1)C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccccc1O2 ZINC000330270258 554096427 /nfs/dbraw/zinc/09/64/27/554096427.db2.gz TWAQQFXOHHNTFN-OALUTQOASA-N 1 3 360.498 2.352 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)NC3CCC([NH3+])CC3)CC2)C[C@@H](C)O1 ZINC000331486571 554273003 /nfs/dbraw/zinc/27/30/03/554273003.db2.gz JCOANWMUMOTNHX-FDCMFXBMSA-N 1 3 366.550 2.177 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)NC1CCN(C)CC1)c1ccccc1 ZINC000509421007 561798796 /nfs/dbraw/zinc/79/87/96/561798796.db2.gz YKMGJKOPLWPYOO-IBGZPJMESA-N 1 3 362.518 2.089 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)NC1CCN(C)CC1)c1ccccc1 ZINC000509421007 561798797 /nfs/dbraw/zinc/79/87/97/561798797.db2.gz YKMGJKOPLWPYOO-IBGZPJMESA-N 1 3 362.518 2.089 20 0 FEADHO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000333778226 554642231 /nfs/dbraw/zinc/64/22/31/554642231.db2.gz DHDUJZFNFMZTFN-IPMKNSEASA-N 1 3 371.591 2.337 20 0 FEADHO C[C@H](NC(=O)NCC1(N2CCSCC2)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000333948019 554660093 /nfs/dbraw/zinc/66/00/93/554660093.db2.gz VZNLDRRPGBMFFO-HOTGVXAUSA-N 1 3 354.564 2.035 20 0 FEADHO Cc1nnc2n1C[C@H]([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000359903754 554856099 /nfs/dbraw/zinc/85/60/99/554856099.db2.gz VKQDBEYHEIZUEM-MTQWCTHYSA-N 1 3 351.498 2.402 20 0 FEADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3NC(=O)OC(C)(C)C)C2)CC1 ZINC000360061018 554861816 /nfs/dbraw/zinc/86/18/16/554861816.db2.gz RXKZGXZFMNVYSU-CGTJXYLNSA-N 1 3 366.550 2.190 20 0 FEADHO CN1CC[C@@H](CNC(=O)NCC2CC[NH+](C)CC2)[C@H]1c1cccs1 ZINC000363251135 555064118 /nfs/dbraw/zinc/06/41/18/555064118.db2.gz ZOUJNNSERJDOEC-RDJZCZTQSA-N 1 3 350.532 2.382 20 0 FEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363390465 555093515 /nfs/dbraw/zinc/09/35/15/555093515.db2.gz SVGJLFFWIHLWAH-WOJBJXKFSA-N 1 3 374.529 2.143 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000363523138 555127500 /nfs/dbraw/zinc/12/75/00/555127500.db2.gz SOLODSJKRGEOTL-OALUTQOASA-N 1 3 371.529 2.077 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000363523138 555127504 /nfs/dbraw/zinc/12/75/04/555127504.db2.gz SOLODSJKRGEOTL-OALUTQOASA-N 1 3 371.529 2.077 20 0 FEADHO Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000531357120 562443174 /nfs/dbraw/zinc/44/31/74/562443174.db2.gz XOUZPMHOBIFBNM-HNNXBMFYSA-N 1 3 355.910 2.368 20 0 FEADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000364206586 555269775 /nfs/dbraw/zinc/26/97/75/555269775.db2.gz KRHYGTCVLASHAT-UXHICEINSA-N 1 3 373.545 2.467 20 0 FEADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000364206586 555269776 /nfs/dbraw/zinc/26/97/76/555269776.db2.gz KRHYGTCVLASHAT-UXHICEINSA-N 1 3 373.545 2.467 20 0 FEADHO C[C@H](CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)C[NH+]1CCCCC1 ZINC000364717438 555384320 /nfs/dbraw/zinc/38/43/20/555384320.db2.gz PZVJXDZNFINUFE-HOJAQTOUSA-N 1 3 373.545 2.496 20 0 FEADHO CN1CCC[C@@H](N2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)C1 ZINC000365367437 555555379 /nfs/dbraw/zinc/55/53/79/555555379.db2.gz SIFVSMDJFLWJSA-OAQYLSRUSA-N 1 3 370.541 2.134 20 0 FEADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC000365884271 555692324 /nfs/dbraw/zinc/69/23/24/555692324.db2.gz SYPLAQYWAGBMNB-KRWDZBQOSA-N 1 3 366.550 2.002 20 0 FEADHO CN(C)Cc1ccccc1C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000365987249 555718742 /nfs/dbraw/zinc/71/87/42/555718742.db2.gz BMJVASNOJFNHOS-UHFFFAOYSA-N 1 3 359.514 2.464 20 0 FEADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000366190591 555776248 /nfs/dbraw/zinc/77/62/48/555776248.db2.gz HQGAPCTWUGKCHR-OAQYLSRUSA-N 1 3 371.525 2.268 20 0 FEADHO CCN1CCN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cn2)CC1 ZINC000514099755 561960334 /nfs/dbraw/zinc/96/03/34/561960334.db2.gz QLYCNUXNDOLZHY-AQNXPRMDSA-N 1 3 357.546 2.186 20 0 FEADHO CCN1CCN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cn2)CC1 ZINC000514099755 561960335 /nfs/dbraw/zinc/96/03/35/561960335.db2.gz QLYCNUXNDOLZHY-AQNXPRMDSA-N 1 3 357.546 2.186 20 0 FEADHO O=C(CN1CC[C@H]([C@@H]2CCOC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000366660139 555901618 /nfs/dbraw/zinc/90/16/18/555901618.db2.gz YREJPUSWDAYTRG-LEWJYISDSA-N 1 3 371.525 2.257 20 0 FEADHO C[NH+](C)CCOc1cnccc1CNC1CCN(C(=O)c2ccco2)CC1 ZINC000368008220 556193945 /nfs/dbraw/zinc/19/39/45/556193945.db2.gz IRHRAYPOEYQFJH-UHFFFAOYSA-N 1 3 372.469 2.009 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000515279263 562003096 /nfs/dbraw/zinc/00/30/96/562003096.db2.gz XBSPWLXZYNLUNQ-XLIONFOSSA-N 1 3 359.514 2.090 20 0 FEADHO C[C@H]1CN(Cc2cn(C)nc2-c2ccncc2)CCN1C1CC[NH+](C)CC1 ZINC000368581347 556351996 /nfs/dbraw/zinc/35/19/96/556351996.db2.gz AWKXIGSTQYTUNP-KRWDZBQOSA-N 1 3 368.529 2.082 20 0 FEADHO CCN1CCN(CCC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000368860822 556431511 /nfs/dbraw/zinc/43/15/11/556431511.db2.gz PNIGTFRGMHLPTK-UHFFFAOYSA-N 1 3 364.578 2.175 20 0 FEADHO C[C@H](CNC(=O)NC1CCN(Cc2cccs2)CC1)[N@@H+](C)C1CC1 ZINC000369046809 556488086 /nfs/dbraw/zinc/48/80/86/556488086.db2.gz IWVFQKYDDXCODM-CQSZACIVSA-N 1 3 350.532 2.494 20 0 FEADHO C[C@H](CNC(=O)NC1CCN(Cc2cccs2)CC1)[N@H+](C)C1CC1 ZINC000369046809 556488081 /nfs/dbraw/zinc/48/80/81/556488081.db2.gz IWVFQKYDDXCODM-CQSZACIVSA-N 1 3 350.532 2.494 20 0 FEADHO Cc1nc(CN2C[C@@H](F)C[C@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)oc1C ZINC000369128528 556511854 /nfs/dbraw/zinc/51/18/54/556511854.db2.gz VKCJJBYZBSVRCI-MHORFTMASA-N 1 3 350.482 2.420 20 0 FEADHO Cc1nc(CN2C[C@@H](F)C[C@H]2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)oc1C ZINC000369128528 556511855 /nfs/dbraw/zinc/51/18/55/556511855.db2.gz VKCJJBYZBSVRCI-MHORFTMASA-N 1 3 350.482 2.420 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)C[C@H](C)O1 ZINC000369168085 556523874 /nfs/dbraw/zinc/52/38/74/556523874.db2.gz RGBWCXUAPRPTEY-SHJAMOMRSA-N 1 3 363.546 2.114 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@H](C(C)(C)C)C3)CC2)CC1 ZINC000516084429 562030175 /nfs/dbraw/zinc/03/01/75/562030175.db2.gz BKLGFQFLRVIKRG-IBGZPJMESA-N 1 3 365.562 2.456 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)c1 ZINC000516258531 562037900 /nfs/dbraw/zinc/03/79/00/562037900.db2.gz GHUOJNYRVDUPFM-UHFFFAOYSA-N 1 3 360.502 2.067 20 0 FEADHO COCCCN1CCCN(C(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000369660168 556661331 /nfs/dbraw/zinc/66/13/31/556661331.db2.gz GNHSJRSIEFBHOQ-UHFFFAOYSA-N 1 3 356.555 2.252 20 0 FEADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000370126646 556787616 /nfs/dbraw/zinc/78/76/16/556787616.db2.gz QQEWNVFZZXZQHJ-QQXKLLMISA-N 1 3 366.550 2.048 20 0 FEADHO C[C@H]1CN(Cc2ccc(-n3cccn3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370149538 556794927 /nfs/dbraw/zinc/79/49/27/556794927.db2.gz ORXPLETUGYQKNO-RXVVDRJESA-N 1 3 353.514 2.330 20 0 FEADHO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000516867627 562061820 /nfs/dbraw/zinc/06/18/20/562061820.db2.gz JBMHDOSZHWHZIX-IRXDYDNUSA-N 1 3 374.529 2.095 20 0 FEADHO COCCOc1ccccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000370697726 556943604 /nfs/dbraw/zinc/94/36/04/556943604.db2.gz LZXXWSJJWDJUPB-ICSRJNTNSA-N 1 3 361.530 2.170 20 0 FEADHO COCCOc1ccccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000370697726 556943605 /nfs/dbraw/zinc/94/36/05/556943605.db2.gz LZXXWSJJWDJUPB-ICSRJNTNSA-N 1 3 361.530 2.170 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)NCC1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000517097662 562075743 /nfs/dbraw/zinc/07/57/43/562075743.db2.gz DPGFYKIOGSZKOC-IBGZPJMESA-N 1 3 362.518 2.377 20 0 FEADHO C[C@H]1CN(CCC(=O)Nc2ccccc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371301056 557137130 /nfs/dbraw/zinc/13/71/30/557137130.db2.gz CXBKIIHVULVMMR-LPHOPBHVSA-N 1 3 362.493 2.112 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000517418660 562089489 /nfs/dbraw/zinc/08/94/89/562089489.db2.gz HZQHRRVRRHMOBH-DLBZAZTESA-N 1 3 368.566 2.438 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000517418660 562089491 /nfs/dbraw/zinc/08/94/91/562089491.db2.gz HZQHRRVRRHMOBH-DLBZAZTESA-N 1 3 368.566 2.438 20 0 FEADHO Cc1cccc(CN2CCC(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000371606034 557237505 /nfs/dbraw/zinc/23/75/05/557237505.db2.gz SODXBZMHKCWWOL-HXUWFJFHSA-N 1 3 356.514 2.449 20 0 FEADHO Cc1cccc(CN2CCC(NC(=O)N3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000371606034 557237506 /nfs/dbraw/zinc/23/75/06/557237506.db2.gz SODXBZMHKCWWOL-HXUWFJFHSA-N 1 3 356.514 2.449 20 0 FEADHO CO[C@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000371744111 557281214 /nfs/dbraw/zinc/28/12/14/557281214.db2.gz PMOUKHUYKBABTL-FQEVSTJZSA-N 1 3 359.514 2.400 20 0 FEADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000518535787 562113919 /nfs/dbraw/zinc/11/39/19/562113919.db2.gz NJMZFEIFZLOGED-IAGOWNOFSA-N 1 3 366.509 2.374 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)Nc1cccc2c1CC[NH2+]C2 ZINC000518985151 562122584 /nfs/dbraw/zinc/12/25/84/562122584.db2.gz OTANLZRVCUCCFL-UHFFFAOYSA-N 1 3 364.493 2.483 20 0 FEADHO Cc1ccccc1CN(C)C(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372366240 557451255 /nfs/dbraw/zinc/45/12/55/557451255.db2.gz AVOYUIBSRQHPQM-NRFANRHFSA-N 1 3 372.557 2.054 20 0 FEADHO Cc1cc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)n(C2CCN(C)CC2)n1 ZINC000519577699 562135498 /nfs/dbraw/zinc/13/54/98/562135498.db2.gz RMAJZTVOYAMROG-MRXNPFEDSA-N 1 3 362.522 2.406 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000373001709 557607382 /nfs/dbraw/zinc/60/73/82/557607382.db2.gz QUWYWQAKGZFJQQ-UHFFFAOYSA-N 1 3 370.541 2.332 20 0 FEADHO O=C(NCCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCCC[NH2+]1 ZINC000519818358 562145236 /nfs/dbraw/zinc/14/52/36/562145236.db2.gz FIDJQPQQMPZBCE-OAQYLSRUSA-N 1 3 372.557 2.233 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@H]3CCCCO3)CC2)CC1 ZINC000520248992 562151855 /nfs/dbraw/zinc/15/18/55/562151855.db2.gz OAHQENFEFNUTSH-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000521217397 562171999 /nfs/dbraw/zinc/17/19/99/562171999.db2.gz ZUDWNKZOKMEJLS-UHOSZYNNSA-N 1 3 359.518 2.076 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)NC[C@@H]3CCCN(C)C3)CCCC2)CC1 ZINC000521285118 562173569 /nfs/dbraw/zinc/17/35/69/562173569.db2.gz JJYNPRMFKSMPRZ-KRWDZBQOSA-N 1 3 366.550 2.051 20 0 FEADHO CN1CC=C(C[NH2+][C@@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000375849206 558088961 /nfs/dbraw/zinc/08/89/61/558088961.db2.gz GGRCFURWJPRNAE-MSOLQXFVSA-N 1 3 365.518 2.252 20 0 FEADHO Cc1ccc2c(c1)CC[C@@H](C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)O2 ZINC000376023612 558115265 /nfs/dbraw/zinc/11/52/65/558115265.db2.gz ZEZJCXVAQWCCEA-NRFANRHFSA-N 1 3 371.525 2.363 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CCC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000376912613 558238163 /nfs/dbraw/zinc/23/81/63/558238163.db2.gz YAGKJRSGMRGICR-NHCUHLMSSA-N 1 3 372.557 2.356 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc2)CC1 ZINC000522059977 562190608 /nfs/dbraw/zinc/19/06/08/562190608.db2.gz DWQSALLEEKKMEN-MRXNPFEDSA-N 1 3 372.435 2.227 20 0 FEADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000378190119 558499585 /nfs/dbraw/zinc/49/95/85/558499585.db2.gz KKURPCWUHVCKFJ-CTXDPNEZSA-N 1 3 356.514 2.070 20 0 FEADHO c1ccc(CN2CCN(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000390912394 558613316 /nfs/dbraw/zinc/61/33/16/558613316.db2.gz QAHZEIROUQXBOJ-BDTNDASRSA-N 1 3 356.558 2.315 20 0 FEADHO CC1CC[NH+](CCCNC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000524038485 562223304 /nfs/dbraw/zinc/22/33/04/562223304.db2.gz JVLZEGDRBMRGTM-UHFFFAOYSA-N 1 3 351.535 2.260 20 0 FEADHO CN(C)Cc1ccccc1CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000524794872 562235321 /nfs/dbraw/zinc/23/53/21/562235321.db2.gz LHMWCFLEWAMOBM-JOCHJYFZSA-N 1 3 367.493 2.001 20 0 FEADHO CN(C)Cc1ccccc1CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000524794872 562235322 /nfs/dbraw/zinc/23/53/22/562235322.db2.gz LHMWCFLEWAMOBM-JOCHJYFZSA-N 1 3 367.493 2.001 20 0 FEADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCc2cncs2)CC1 ZINC000411172483 558848253 /nfs/dbraw/zinc/84/82/53/558848253.db2.gz HTOSBVYLOPFBAQ-UHFFFAOYSA-N 1 3 352.548 2.246 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000411474770 558900952 /nfs/dbraw/zinc/90/09/52/558900952.db2.gz LZPYIEFSYKONIU-FXAWDEMLSA-N 1 3 359.514 2.344 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000411476341 558901534 /nfs/dbraw/zinc/90/15/34/558901534.db2.gz OETOTBVJDUWCNJ-INIZCTEOSA-N 1 3 355.486 2.123 20 0 FEADHO CCCn1ccnc1CCCN(C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411631530 558932585 /nfs/dbraw/zinc/93/25/85/558932585.db2.gz MKYOICGAKKKKHH-UHFFFAOYSA-N 1 3 363.550 2.147 20 0 FEADHO CCN1CCC(NC(=O)CN(CC[NH+]2CCCCCC2)C(C)C)CC1 ZINC000411726706 558951051 /nfs/dbraw/zinc/95/10/51/558951051.db2.gz HVIOLLYLINESHA-UHFFFAOYSA-N 1 3 352.567 2.173 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCc4ccccc4O3)CC2)CC1 ZINC000411770563 558959862 /nfs/dbraw/zinc/95/98/62/558959862.db2.gz ZCPXOIBHKKDVKM-HXUWFJFHSA-N 1 3 357.498 2.055 20 0 FEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412298894 559025912 /nfs/dbraw/zinc/02/59/12/559025912.db2.gz GSNJRZLWXYNVOF-SJORKVTESA-N 1 3 353.576 2.441 20 0 FEADHO O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000526025908 562264251 /nfs/dbraw/zinc/26/42/51/562264251.db2.gz UUUPKODKYHASCZ-HDYDNRTBSA-N 1 3 356.514 2.427 20 0 FEADHO CCN(CCC[NH+](C)C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000526067124 562265830 /nfs/dbraw/zinc/26/58/30/562265830.db2.gz DPEZCVKPYAJYFC-UHFFFAOYSA-N 1 3 360.546 2.389 20 0 FEADHO CC(C)OCC(C)(C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000413211984 559088897 /nfs/dbraw/zinc/08/88/97/559088897.db2.gz XRWVSYMSUJEDPT-UHFFFAOYSA-N 1 3 354.539 2.048 20 0 FEADHO CCc1cc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c2ccccc2n1 ZINC000413481522 559111222 /nfs/dbraw/zinc/11/12/22/559111222.db2.gz NKDBHSUEUBLFPI-UHFFFAOYSA-N 1 3 368.525 2.428 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)C1(OC)CCC1 ZINC000413824621 559133154 /nfs/dbraw/zinc/13/31/54/559133154.db2.gz WSRIFDQXBGTLHE-SJORKVTESA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)C1(OC)CCC1 ZINC000413824621 559133155 /nfs/dbraw/zinc/13/31/55/559133155.db2.gz WSRIFDQXBGTLHE-SJORKVTESA-N 1 3 354.539 2.002 20 0 FEADHO CN1CCC(C[NH2+][C@H](c2cncc(F)c2)C2CC2)(N2CCOCC2)CC1 ZINC000414187234 559152119 /nfs/dbraw/zinc/15/21/19/559152119.db2.gz IETZCFWXZHUAFA-IBGZPJMESA-N 1 3 362.493 2.058 20 0 FEADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000414188762 559152166 /nfs/dbraw/zinc/15/21/66/559152166.db2.gz JGSWIHQNDNFTBX-HNNXBMFYSA-N 1 3 353.457 2.412 20 0 FEADHO C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414321846 559156062 /nfs/dbraw/zinc/15/60/62/559156062.db2.gz FVYHUBITNQCDHC-KRWDZBQOSA-N 1 3 369.513 2.149 20 0 FEADHO C[C@@H](NCC1(CS(C)(=O)=O)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414320480 559156225 /nfs/dbraw/zinc/15/62/25/559156225.db2.gz AQPWRMYKWAKLQX-MRXNPFEDSA-N 1 3 368.543 2.493 20 0 FEADHO Cc1cc(C[NH2+]CCCCN2CCN(CCO)CC2)ccc1C(F)(F)F ZINC000414388210 559160697 /nfs/dbraw/zinc/16/06/97/559160697.db2.gz BTTFRARFUYFIIT-UHFFFAOYSA-N 1 3 373.463 2.494 20 0 FEADHO CN1CCC(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)(N2CCOCC2)CC1 ZINC000414481871 559167840 /nfs/dbraw/zinc/16/78/40/559167840.db2.gz KYEJJVLNHXHIDT-SJORKVTESA-N 1 3 355.592 2.293 20 0 FEADHO CN1CCC(C[NH2+]C/C=C\c2ccc(F)c(F)c2)(N2CCOCC2)CC1 ZINC000414485622 559168193 /nfs/dbraw/zinc/16/81/93/559168193.db2.gz PQZBXNBYEZTQCH-IHWYPQMZSA-N 1 3 365.468 2.364 20 0 FEADHO Cc1ccc(OC2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)cc1C ZINC000414688622 559179759 /nfs/dbraw/zinc/17/97/59/559179759.db2.gz JQTXEWPLFTYFRQ-SFHVURJKSA-N 1 3 359.514 2.344 20 0 FEADHO CC[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414706487 559181153 /nfs/dbraw/zinc/18/11/53/559181153.db2.gz MTUHWBSIFDEQDN-RTWAWAEBSA-N 1 3 372.557 2.028 20 0 FEADHO CC[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414706487 559181155 /nfs/dbraw/zinc/18/11/55/559181155.db2.gz MTUHWBSIFDEQDN-RTWAWAEBSA-N 1 3 372.557 2.028 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1 ZINC000414740015 559183747 /nfs/dbraw/zinc/18/37/47/559183747.db2.gz CWEBCOYKMYUNLO-XUWVNRHRSA-N 1 3 360.502 2.127 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(c3c(F)cccc3F)CC2)C1 ZINC000414739990 559183924 /nfs/dbraw/zinc/18/39/24/559183924.db2.gz CTLCZCWMUDBYAL-AWEZNQCLSA-N 1 3 351.441 2.342 20 0 FEADHO COc1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc(OC)c1OC ZINC000414791180 559187738 /nfs/dbraw/zinc/18/77/38/559187738.db2.gz QQTZFDLTRZYZHP-QAPCUYQASA-N 1 3 350.459 2.041 20 0 FEADHO FC(F)COc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414985651 559198914 /nfs/dbraw/zinc/19/89/14/559198914.db2.gz NGMPQDMPAPVJPP-CQSZACIVSA-N 1 3 367.362 2.256 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000415037487 559201860 /nfs/dbraw/zinc/20/18/60/559201860.db2.gz MLXSRRPCAJRZOZ-NVXWUHKLSA-N 1 3 372.513 2.114 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000415037487 559201862 /nfs/dbraw/zinc/20/18/62/559201862.db2.gz MLXSRRPCAJRZOZ-NVXWUHKLSA-N 1 3 372.513 2.114 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(CCN(C)C)C1CCCC1 ZINC000415089977 559204740 /nfs/dbraw/zinc/20/47/40/559204740.db2.gz ZLSKSRVVHRKCTP-UHFFFAOYSA-N 1 3 360.502 2.067 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)cc1 ZINC000415115330 559205947 /nfs/dbraw/zinc/20/59/47/559205947.db2.gz ULCBTUOZCQSYFX-YJBOKZPZSA-N 1 3 358.486 2.122 20 0 FEADHO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc(OCC(F)F)cc3)C2)nn1 ZINC000415132328 559207115 /nfs/dbraw/zinc/20/71/15/559207115.db2.gz TZVMNCVPHGQTLK-HNNXBMFYSA-N 1 3 351.401 2.218 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1 ZINC000415267259 559219686 /nfs/dbraw/zinc/21/96/86/559219686.db2.gz NBFYMLVABYSMMO-INIZCTEOSA-N 1 3 372.513 2.067 20 0 FEADHO C[C@H]1[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)CCCN1C ZINC000415419733 559233594 /nfs/dbraw/zinc/23/35/94/559233594.db2.gz RCRJBZIZDBCODT-QFBILLFUSA-N 1 3 369.513 2.324 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000415449243 559238356 /nfs/dbraw/zinc/23/83/56/559238356.db2.gz QYKZSVZKXIRZMT-RDJZCZTQSA-N 1 3 360.502 2.053 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NCCC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000415503852 559244348 /nfs/dbraw/zinc/24/43/48/559244348.db2.gz SHPODORDMCUAJT-QGZVFWFLSA-N 1 3 359.518 2.482 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000415831281 559276443 /nfs/dbraw/zinc/27/64/43/559276443.db2.gz NTZMRGXEAIAELB-IBGZPJMESA-N 1 3 368.481 2.283 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)NC(C)(C)CN2CCN(CC)CC2)c1 ZINC000415931357 559283125 /nfs/dbraw/zinc/28/31/25/559283125.db2.gz KXCWJVMARGUAHG-UHFFFAOYSA-N 1 3 361.534 2.334 20 0 FEADHO C[NH2+]Cc1cccc(NC(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000415934706 559283393 /nfs/dbraw/zinc/28/33/93/559283393.db2.gz RYDCPRLYEATAQL-INIZCTEOSA-N 1 3 359.518 2.038 20 0 FEADHO CN(CCCN(C)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)Cc1ccco1 ZINC000415955559 559284621 /nfs/dbraw/zinc/28/46/21/559284621.db2.gz IARYPQNOAHXWLE-INIZCTEOSA-N 1 3 371.485 2.476 20 0 FEADHO CCc1ccc([C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000415999342 559288266 /nfs/dbraw/zinc/28/82/66/559288266.db2.gz VXRQBDJZAUUZCH-HUUCEWRRSA-N 1 3 360.424 2.431 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415997725 559288307 /nfs/dbraw/zinc/28/83/07/559288307.db2.gz RYXXMTDVLMAPRH-CQSZACIVSA-N 1 3 364.387 2.179 20 0 FEADHO CN1CCN(CC2CCN(C(=O)C[C@H](c3ccccc3)[NH+](C)C)CC2)CC1 ZINC000416154713 559295104 /nfs/dbraw/zinc/29/51/04/559295104.db2.gz BEVSXPQXIFSSGH-OAQYLSRUSA-N 1 3 372.557 2.165 20 0 FEADHO CS[C@@H]1CN(C(=O)CCN2CCc3ccccc3C2)C[C@@H]1[NH+]1CCCC1 ZINC000416206039 559298215 /nfs/dbraw/zinc/29/82/15/559298215.db2.gz TUWZHUVTECVTNM-VQTJNVASSA-N 1 3 373.566 2.473 20 0 FEADHO CS[C@@H]1CN(C(=O)CCN2CCc3ccccc3C2)C[C@H]1[NH+]1CCCC1 ZINC000416206041 559298296 /nfs/dbraw/zinc/29/82/96/559298296.db2.gz TUWZHUVTECVTNM-WOJBJXKFSA-N 1 3 373.566 2.473 20 0 FEADHO COc1cccc([C@H](CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)N2CCCC2)c1 ZINC000416840957 559334703 /nfs/dbraw/zinc/33/47/03/559334703.db2.gz GMBRCBNCZFCVDJ-AYBZRNKSSA-N 1 3 360.502 2.259 20 0 FEADHO CO[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)[C@@H](C[NH3+])C1 ZINC000416849969 559335142 /nfs/dbraw/zinc/33/51/42/559335142.db2.gz YXCKZHSDOKNRAQ-OAGGEKHMSA-N 1 3 366.531 2.033 20 0 FEADHO COc1cccc([C@H](CNC(=O)NCC[C@@H]2CC[NH2+]C2)N2CCCC2)c1 ZINC000416855395 559335423 /nfs/dbraw/zinc/33/54/23/559335423.db2.gz PZDNWNZCIRXNMC-LPHOPBHVSA-N 1 3 360.502 2.131 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1cccc(OC)c1 ZINC000416919952 559338371 /nfs/dbraw/zinc/33/83/71/559338371.db2.gz KLEVGLJACLJALQ-YZGWKJHDSA-N 1 3 374.529 2.472 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000416979730 559341842 /nfs/dbraw/zinc/34/18/42/559341842.db2.gz XIVBZOHDCKMFQH-UHFFFAOYSA-N 1 3 362.518 2.478 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccsc1 ZINC000416997544 559342913 /nfs/dbraw/zinc/34/29/13/559342913.db2.gz AKWVZKQBDWRDKA-BHYGNILZSA-N 1 3 350.532 2.382 20 0 FEADHO [NH3+]C[C@H]1CCCCN1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417160983 559350592 /nfs/dbraw/zinc/35/05/92/559350592.db2.gz YZILKNPHMYRCBC-HXUWFJFHSA-N 1 3 373.545 2.112 20 0 FEADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)N2CCCC2)cc1 ZINC000417350749 559358746 /nfs/dbraw/zinc/35/87/46/559358746.db2.gz BCWDNKOLOMZTBH-UFYCRDLUSA-N 1 3 356.514 2.383 20 0 FEADHO COC[C@@]1(CNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CCC[NH2+]1 ZINC000417351051 559358791 /nfs/dbraw/zinc/35/87/91/559358791.db2.gz BQRCISZARCBOSJ-FPOVZHCZSA-N 1 3 374.529 2.200 20 0 FEADHO CC1(NC(=O)NCc2ccc(OCCN3CCCC3)cc2)CC[NH2+]CC1 ZINC000417598411 559368933 /nfs/dbraw/zinc/36/89/33/559368933.db2.gz ZGJWHYOEGORGMZ-UHFFFAOYSA-N 1 3 360.502 2.103 20 0 FEADHO C[C@@H]1NCCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)[C@H]1C ZINC000417624253 559369471 /nfs/dbraw/zinc/36/94/71/559369471.db2.gz JWGPIKSUCMVPDR-HOTGVXAUSA-N 1 3 354.564 2.130 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](N)c2ccccc2)[C@@H](C)C1 ZINC000417666699 559371497 /nfs/dbraw/zinc/37/14/97/559371497.db2.gz DTDGARFHTPDHSW-UHOSZYNNSA-N 1 3 362.518 2.123 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](N)c2ccccc2)[C@@H](C)C1 ZINC000417666699 559371498 /nfs/dbraw/zinc/37/14/98/559371498.db2.gz DTDGARFHTPDHSW-UHOSZYNNSA-N 1 3 362.518 2.123 20 0 FEADHO C[NH+](C)C1(CNC(=O)NC[C@@H](N)c2ccccc2)Cc2ccccc2C1 ZINC000417737801 559374740 /nfs/dbraw/zinc/37/47/40/559374740.db2.gz OJQQBZWZDGFINC-LJQANCHMSA-N 1 3 352.482 2.085 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000417829815 559378189 /nfs/dbraw/zinc/37/81/89/559378189.db2.gz GJEQIOFDFOFUEF-YFVAEKQCSA-N 1 3 356.514 2.435 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCN1Cc1ccccc1 ZINC000417844170 559379060 /nfs/dbraw/zinc/37/90/60/559379060.db2.gz RCIJYLZORXPYFN-GSEOLPGOSA-N 1 3 356.514 2.433 20 0 FEADHO CCc1ccccc1[C@H](N)CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000418115452 559390707 /nfs/dbraw/zinc/39/07/07/559390707.db2.gz OQOWKGCISMSKMZ-QFBILLFUSA-N 1 3 362.518 2.049 20 0 FEADHO CCc1ccccc1[C@H](N)CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000418115452 559390708 /nfs/dbraw/zinc/39/07/08/559390708.db2.gz OQOWKGCISMSKMZ-QFBILLFUSA-N 1 3 362.518 2.049 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000418128193 559391195 /nfs/dbraw/zinc/39/11/95/559391195.db2.gz ACQFHAFOEYALIN-WOJBJXKFSA-N 1 3 356.514 2.433 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCN[C@H](C)[C@@H]2C)N(C)C)cc1 ZINC000418214694 559394137 /nfs/dbraw/zinc/39/41/37/559394137.db2.gz XPVFSRVZNWKNHQ-GJYPPUQNSA-N 1 3 362.518 2.468 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)N(C)C)cc1 ZINC000418214694 559394138 /nfs/dbraw/zinc/39/41/38/559394138.db2.gz XPVFSRVZNWKNHQ-GJYPPUQNSA-N 1 3 362.518 2.468 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCN[C@H](C)[C@@H]2C)[NH+](C)C)cc1 ZINC000418214694 559394139 /nfs/dbraw/zinc/39/41/39/559394139.db2.gz XPVFSRVZNWKNHQ-GJYPPUQNSA-N 1 3 362.518 2.468 20 0 FEADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000418240153 559395128 /nfs/dbraw/zinc/39/51/28/559395128.db2.gz IHHPJHRXJALCGV-RBUKOAKNSA-N 1 3 356.514 2.292 20 0 FEADHO O=C(NCCCNCc1cccnc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000418321153 559397399 /nfs/dbraw/zinc/39/73/99/559397399.db2.gz ACHBICICMJSCDW-UYAOXDASSA-N 1 3 371.529 2.220 20 0 FEADHO O=C(NCCCNCc1cccnc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000418321153 559397400 /nfs/dbraw/zinc/39/74/00/559397400.db2.gz ACHBICICMJSCDW-UYAOXDASSA-N 1 3 371.529 2.220 20 0 FEADHO CC(C)C[C@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418439137 559401664 /nfs/dbraw/zinc/40/16/64/559401664.db2.gz JQUXOEZRKAWMFD-OAHLLOKOSA-N 1 3 356.461 2.411 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418517285 559404657 /nfs/dbraw/zinc/40/46/57/559404657.db2.gz LAMWSLUSTRMJBB-UHFFFAOYSA-N 1 3 350.482 2.289 20 0 FEADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000418653570 559409879 /nfs/dbraw/zinc/40/98/79/559409879.db2.gz ONAYFCOLBIKOKT-LJQANCHMSA-N 1 3 362.518 2.001 20 0 FEADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418722415 559412470 /nfs/dbraw/zinc/41/24/70/559412470.db2.gz IDQKLWVXUSDDQI-VDZJLULYSA-N 1 3 362.493 2.254 20 0 FEADHO CCN1CCCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000418733991 559412999 /nfs/dbraw/zinc/41/29/99/559412999.db2.gz RXYPFEBRGPGHAD-PKOBYXMFSA-N 1 3 362.493 2.256 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000418804179 559416826 /nfs/dbraw/zinc/41/68/26/559416826.db2.gz WTJAWHMYKFXLJN-GUDVDZBRSA-N 1 3 374.529 2.157 20 0 FEADHO C[C@H](c1nc(-c2cccs2)no1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420315745 559479803 /nfs/dbraw/zinc/47/98/03/559479803.db2.gz LGASQBLMDMWKTN-HUUCEWRRSA-N 1 3 361.515 2.476 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000420312738 559479892 /nfs/dbraw/zinc/47/98/92/559479892.db2.gz XCYDVLGVLOSWAU-FKBYEOEOSA-N 1 3 354.494 2.251 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000420312738 559479893 /nfs/dbraw/zinc/47/98/93/559479893.db2.gz XCYDVLGVLOSWAU-FKBYEOEOSA-N 1 3 354.494 2.251 20 0 FEADHO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338835 559481641 /nfs/dbraw/zinc/48/16/41/559481641.db2.gz YCGRGQUGFCUTTD-XWSJACJDSA-N 1 3 351.535 2.019 20 0 FEADHO CCOc1ccc(CN(C)C(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420338968 559481703 /nfs/dbraw/zinc/48/17/03/559481703.db2.gz LCPPLSOJVQXZQZ-RBUKOAKNSA-N 1 3 359.514 2.365 20 0 FEADHO NCc1cn([C@@H]2CCC[N@H+](CCOc3ccccc3C(F)(F)F)C2)nn1 ZINC000420385273 559484362 /nfs/dbraw/zinc/48/43/62/559484362.db2.gz SQIVUDGHVFSMIK-CQSZACIVSA-N 1 3 369.391 2.472 20 0 FEADHO NCc1cn([C@@H]2CCC[N@@H+](CCOc3ccccc3C(F)(F)F)C2)nn1 ZINC000420385273 559484363 /nfs/dbraw/zinc/48/43/63/559484363.db2.gz SQIVUDGHVFSMIK-CQSZACIVSA-N 1 3 369.391 2.472 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000420398285 559485434 /nfs/dbraw/zinc/48/54/34/559485434.db2.gz GVCQCEJGLTZFHK-MUGJNUQGSA-N 1 3 362.420 2.315 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000421017970 559520087 /nfs/dbraw/zinc/52/00/87/559520087.db2.gz VWRMLHFVFXFRMH-UYAOXDASSA-N 1 3 364.578 2.173 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000421017970 559520088 /nfs/dbraw/zinc/52/00/88/559520088.db2.gz VWRMLHFVFXFRMH-UYAOXDASSA-N 1 3 364.578 2.173 20 0 FEADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000422610770 559597706 /nfs/dbraw/zinc/59/77/06/559597706.db2.gz QOVNGYBFHPTUJU-QXAKKESOSA-N 1 3 362.493 2.254 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000422713833 559603974 /nfs/dbraw/zinc/60/39/74/559603974.db2.gz KHKMYCMHPROFBR-HOCLYGCPSA-N 1 3 373.588 2.428 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CCCC[C@H]2CN)s1 ZINC000422713833 559603975 /nfs/dbraw/zinc/60/39/75/559603975.db2.gz KHKMYCMHPROFBR-HOCLYGCPSA-N 1 3 373.588 2.428 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2cccc(OC)c2OC)CC[NH2+]CC1 ZINC000422718560 559604288 /nfs/dbraw/zinc/60/42/88/559604288.db2.gz LERHDPMZTXYOHH-CQSZACIVSA-N 1 3 350.459 2.115 20 0 FEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422952391 559612724 /nfs/dbraw/zinc/61/27/24/559612724.db2.gz AXSWXUSDKZCATL-DZGCQCFKSA-N 1 3 354.292 2.286 20 0 FEADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](CCC[NH3+])COC)CC1 ZINC000422746509 559605256 /nfs/dbraw/zinc/60/52/56/559605256.db2.gz WRZRNWPIZWIDIR-WMZOPIPTSA-N 1 3 366.525 2.372 20 0 FEADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)C[C@@H]3COCCN3)CC2)cc1 ZINC000422779078 559606261 /nfs/dbraw/zinc/60/62/61/559606261.db2.gz ILGZLIIHVYCYAM-FXAWDEMLSA-N 1 3 361.530 2.264 20 0 FEADHO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422779715 559606304 /nfs/dbraw/zinc/60/63/04/559606304.db2.gz ITXDPOIFHCUEDO-VLIAUNLRSA-N 1 3 365.481 2.338 20 0 FEADHO OC[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422797908 559606818 /nfs/dbraw/zinc/60/68/18/559606818.db2.gz OZYWBXBGOCXXIJ-JECZMYCTSA-N 1 3 370.896 2.377 20 0 FEADHO C[C@@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000422804779 559607091 /nfs/dbraw/zinc/60/70/91/559607091.db2.gz FQFCJKOZDDEYKB-DWMOBHETSA-N 1 3 361.530 2.138 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000422809464 559607227 /nfs/dbraw/zinc/60/72/27/559607227.db2.gz PVYOAILWDBHXNJ-IAAVTCLWSA-N 1 3 367.921 2.055 20 0 FEADHO FC(F)(F)CN1CCC(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422816484 559607359 /nfs/dbraw/zinc/60/73/59/559607359.db2.gz FKJXYFJILJSDEB-IXDOHACOSA-N 1 3 363.468 2.398 20 0 FEADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422856128 559608680 /nfs/dbraw/zinc/60/86/80/559608680.db2.gz DQIVTXGWPVWULN-ZFWWWQNUSA-N 1 3 354.292 2.286 20 0 FEADHO C[C@@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422909538 559610716 /nfs/dbraw/zinc/61/07/16/559610716.db2.gz GGQZGMVQAVYRMA-YLJYHZDGSA-N 1 3 358.530 2.132 20 0 FEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000422906311 559610759 /nfs/dbraw/zinc/61/07/59/559610759.db2.gz JOHYKSGPFFXFSQ-LAUBAEHRSA-N 1 3 368.525 2.026 20 0 FEADHO COc1cc(OC)cc(OCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422930430 559611837 /nfs/dbraw/zinc/61/18/37/559611837.db2.gz UIGYMUZJQNWOQQ-HSALFYBXSA-N 1 3 364.486 2.219 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000422951200 559612608 /nfs/dbraw/zinc/61/26/08/559612608.db2.gz ZVSJJMFCHXGDSV-FZDIXFNVSA-N 1 3 367.921 2.055 20 0 FEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000422952391 559612723 /nfs/dbraw/zinc/61/27/23/559612723.db2.gz AXSWXUSDKZCATL-DZGCQCFKSA-N 1 3 354.292 2.286 20 0 FEADHO OCC1CC[NH+](Cc2cccc(N[C@H](C3CC3)[C@@H]3CNCCO3)c2)CC1 ZINC000422983600 559613890 /nfs/dbraw/zinc/61/38/90/559613890.db2.gz UFKPGIWTDBAEEM-LEWJYISDSA-N 1 3 359.514 2.070 20 0 FEADHO CCCCn1cc(CN[C@@H](C)C2(C(=O)OCC)CC[NH2+]CC2)c(C)n1 ZINC000423015866 559615058 /nfs/dbraw/zinc/61/50/58/559615058.db2.gz LNUZGMSQNKEIEU-INIZCTEOSA-N 1 3 350.507 2.403 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1cnc(SC2CCCC2)nc1 ZINC000423136338 559620462 /nfs/dbraw/zinc/62/04/62/559620462.db2.gz PCXYSDMVTVARJV-RRQGHBQHSA-N 1 3 350.532 2.396 20 0 FEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000423136338 559620463 /nfs/dbraw/zinc/62/04/63/559620463.db2.gz PCXYSDMVTVARJV-RRQGHBQHSA-N 1 3 350.532 2.396 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2cnc(OC)c(Cl)c2)CC[NH2+]CC1 ZINC000423150270 559620913 /nfs/dbraw/zinc/62/09/13/559620913.db2.gz BKROULHYGFEDMF-GFCCVEGCSA-N 1 3 355.866 2.155 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000423154556 559621280 /nfs/dbraw/zinc/62/12/80/559621280.db2.gz JQNZDGRLTKCQOH-ZENOOKHLSA-N 1 3 371.319 2.326 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000423154556 559621281 /nfs/dbraw/zinc/62/12/81/559621281.db2.gz JQNZDGRLTKCQOH-ZENOOKHLSA-N 1 3 371.319 2.326 20 0 FEADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccccc1I ZINC000423185764 559622219 /nfs/dbraw/zinc/62/22/19/559622219.db2.gz WEJWWHAXEKEKRG-CYBMUJFWSA-N 1 3 373.282 2.237 20 0 FEADHO COCCN1CCC([NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000423373875 559627021 /nfs/dbraw/zinc/62/70/21/559627021.db2.gz SKPQJJYPNCGAPD-VQIMIIECSA-N 1 3 353.457 2.111 20 0 FEADHO COc1ccc2c(c1F)CC[C@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423379976 559627345 /nfs/dbraw/zinc/62/73/45/559627345.db2.gz DDIRUUYIWCITAM-HIFRSBDPSA-N 1 3 361.383 2.247 20 0 FEADHO C[C@H](CCc1ccc(I)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423436443 559629193 /nfs/dbraw/zinc/62/91/93/559629193.db2.gz PPJRZXHGXKQTBX-RABLLNBGSA-N 1 3 356.251 2.420 20 0 FEADHO C[C@H](CCC[NH3+])N[C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423452388 559629507 /nfs/dbraw/zinc/62/95/07/559629507.db2.gz JPTJIKYQKWOXNX-RKDXNWHRSA-N 1 3 354.303 2.419 20 0 FEADHO C[C@@H]1C[C@@H](CCNC(=O)C[C@@H]2CSCCN2)C[N@@H+]1Cc1ccccc1 ZINC000423913605 559645332 /nfs/dbraw/zinc/64/53/32/559645332.db2.gz XEPZSCIQVMTEFB-BHIYHBOVSA-N 1 3 361.555 2.498 20 0 FEADHO C[C@@H]1C[C@@H](CCNC(=O)C[C@@H]2CSCCN2)C[N@H+]1Cc1ccccc1 ZINC000423913605 559645333 /nfs/dbraw/zinc/64/53/33/559645333.db2.gz XEPZSCIQVMTEFB-BHIYHBOVSA-N 1 3 361.555 2.498 20 0 FEADHO C[C@H]1CC2(CN1CC(=O)N(C)CCCOc1ccccc1)CC[NH2+]CC2 ZINC000424284129 559660730 /nfs/dbraw/zinc/66/07/30/559660730.db2.gz CQVDLAGZKHDVLW-SFHVURJKSA-N 1 3 359.514 2.378 20 0 FEADHO C[C@H]1CC2(CN1CC(=O)NCCCOc1ccccc1F)CC[NH2+]CC2 ZINC000424287435 559660733 /nfs/dbraw/zinc/66/07/33/559660733.db2.gz ITWGFHNFYCYWOS-INIZCTEOSA-N 1 3 363.477 2.175 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000424467471 559666412 /nfs/dbraw/zinc/66/64/12/559666412.db2.gz MZUGKIBGZALNOT-HNAYVOBHSA-N 1 3 368.481 2.200 20 0 FEADHO O=C(NCC[C@H]1CCC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424476245 559666699 /nfs/dbraw/zinc/66/66/99/559666699.db2.gz KNCVGKNPXBFGOQ-YZGWKJHDSA-N 1 3 356.514 2.292 20 0 FEADHO COC(=O)[C@@H](CCN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000425462341 559703451 /nfs/dbraw/zinc/70/34/51/559703451.db2.gz UIOIUHAXXVCNAV-NQIIRXRSSA-N 1 3 373.541 2.434 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[N@@H+]1C ZINC000425473126 559704192 /nfs/dbraw/zinc/70/41/92/559704192.db2.gz WZMFUOPYQDVPFP-GSEOLPGOSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[N@H+]1C ZINC000425473126 559704193 /nfs/dbraw/zinc/70/41/93/559704193.db2.gz WZMFUOPYQDVPFP-GSEOLPGOSA-N 1 3 356.514 2.385 20 0 FEADHO O=C(CN1CC2(CCC2)[C@H]1C1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000425545856 559708998 /nfs/dbraw/zinc/70/89/98/559708998.db2.gz DJKYSXYIDVQXHH-HXUWFJFHSA-N 1 3 361.530 2.011 20 0 FEADHO C[C@H](Cn1cc(Br)ccc1=O)NC1CC[NH+](C2CC2)CC1 ZINC000428242043 559772103 /nfs/dbraw/zinc/77/21/03/559772103.db2.gz RUSZZNOWTLARAR-GFCCVEGCSA-N 1 3 354.292 2.216 20 0 FEADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000429034328 559789515 /nfs/dbraw/zinc/78/95/15/559789515.db2.gz IRMDQQGNPVMMCC-FQEVSTJZSA-N 1 3 374.529 2.015 20 0 FEADHO CC(C)[C@@H]([NH3+])CCN(C)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000430602268 559824419 /nfs/dbraw/zinc/82/44/19/559824419.db2.gz VZRASHFCRIHALB-RXVVDRJESA-N 1 3 374.573 2.461 20 0 FEADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(C)CCCOc2ccc(F)cc2)CC1 ZINC000430944715 559831065 /nfs/dbraw/zinc/83/10/65/559831065.db2.gz NPNLFQQFIFQFOW-OAHLLOKOSA-N 1 3 351.466 2.112 20 0 FEADHO [NH3+]CC1(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000431005825 559832089 /nfs/dbraw/zinc/83/20/89/559832089.db2.gz OLQNSWHJEVSKOU-UHFFFAOYSA-N 1 3 372.557 2.220 20 0 FEADHO [NH3+]CC1(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCCC1 ZINC000431006746 559832352 /nfs/dbraw/zinc/83/23/52/559832352.db2.gz SLPRJMXNXCQADP-UHFFFAOYSA-N 1 3 358.530 2.224 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(CCOC)CC1 ZINC000431792470 559846018 /nfs/dbraw/zinc/84/60/18/559846018.db2.gz CQRNZQYRKMPCQP-HKUYNNGSSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NCCC[N@H+](C)C2CCCCC2)CCCO1 ZINC000433275179 559875465 /nfs/dbraw/zinc/87/54/65/559875465.db2.gz OSAMRQMXJDKWOF-SFHVURJKSA-N 1 3 368.566 2.441 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NCCC[N@@H+](C)C2CCCCC2)CCCO1 ZINC000433275179 559875466 /nfs/dbraw/zinc/87/54/66/559875466.db2.gz OSAMRQMXJDKWOF-SFHVURJKSA-N 1 3 368.566 2.441 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433272408 559875541 /nfs/dbraw/zinc/87/55/41/559875541.db2.gz IJLIHABYYQJNAN-MSOLQXFVSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433272408 559875542 /nfs/dbraw/zinc/87/55/42/559875542.db2.gz IJLIHABYYQJNAN-MSOLQXFVSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCCO1 ZINC000433290537 559876093 /nfs/dbraw/zinc/87/60/93/559876093.db2.gz XFLICDUECLTDKP-PKOBYXMFSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCCO1 ZINC000433333013 559877298 /nfs/dbraw/zinc/87/72/98/559877298.db2.gz BWWLUFIAYXGZNL-MRXNPFEDSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@H](C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000434376591 559899066 /nfs/dbraw/zinc/89/90/66/559899066.db2.gz FTCDBKNDWFDFJU-HCXYKTFWSA-N 1 3 351.535 2.351 20 0 FEADHO COC(=O)COc1c(C)cc(CN2CCC(OCCC[NH3+])CC2)cc1C ZINC000435373852 559921546 /nfs/dbraw/zinc/92/15/46/559921546.db2.gz GFAZCAWJCFWOBZ-UHFFFAOYSA-N 1 3 364.486 2.185 20 0 FEADHO CCOc1cc(CN2CCC(C[NH3+])CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000435399046 559922242 /nfs/dbraw/zinc/92/22/42/559922242.db2.gz UPKZQYPQJDPIEU-HNNXBMFYSA-N 1 3 363.502 2.112 20 0 FEADHO CCN1CCN(c2ccccc2CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000438338367 559977405 /nfs/dbraw/zinc/97/74/05/559977405.db2.gz PCKBZUBWNHCWCC-IBGZPJMESA-N 1 3 374.573 2.106 20 0 FEADHO CCN1CCN(c2ccccc2CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000438338367 559977406 /nfs/dbraw/zinc/97/74/06/559977406.db2.gz PCKBZUBWNHCWCC-IBGZPJMESA-N 1 3 374.573 2.106 20 0 FEADHO C[NH+](C)Cc1ccccc1CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000438880793 559984793 /nfs/dbraw/zinc/98/47/93/559984793.db2.gz ADPGXELRUSVDLX-IBGZPJMESA-N 1 3 350.466 2.416 20 0 FEADHO CC[NH+](CC)CCN(CC(C)C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442592377 560053104 /nfs/dbraw/zinc/05/31/04/560053104.db2.gz GFSPZBPCLPXHOP-UHFFFAOYSA-N 1 3 369.598 2.022 20 0 FEADHO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000443057847 560068543 /nfs/dbraw/zinc/06/85/43/560068543.db2.gz IJDDTCDXWNQUGW-ARFHVFGLSA-N 1 3 363.502 2.330 20 0 FEADHO C[NH+](C)CCOc1cccc(CNC(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000527674714 562299713 /nfs/dbraw/zinc/29/97/13/562299713.db2.gz JXDDPOFZCZBQED-LJQANCHMSA-N 1 3 374.529 2.443 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2CCN(C)C)C[C@@H]1C ZINC000446049509 560138599 /nfs/dbraw/zinc/13/85/99/560138599.db2.gz AYFUHJWDFFROFA-WMZOPIPTSA-N 1 3 374.529 2.060 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2CCN(C)C)C[C@@H]1C ZINC000446049509 560138600 /nfs/dbraw/zinc/13/86/00/560138600.db2.gz AYFUHJWDFFROFA-WMZOPIPTSA-N 1 3 374.529 2.060 20 0 FEADHO CC[NH+](CC)CCN(CCOC)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448258022 560181977 /nfs/dbraw/zinc/18/19/77/560181977.db2.gz UHHXHDQEAGLKIG-QGZVFWFLSA-N 1 3 356.555 2.107 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527861235 562306743 /nfs/dbraw/zinc/30/67/43/562306743.db2.gz BYVSDNYCLQFSQP-IBGZPJMESA-N 1 3 369.912 2.446 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)[C@@H](C)C(C)(C)O)CC1 ZINC000451362994 560302838 /nfs/dbraw/zinc/30/28/38/560302838.db2.gz RJGQPTWHYXWKOZ-KRWDZBQOSA-N 1 3 361.530 2.167 20 0 FEADHO CN1CCN(C)[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453114168 560383403 /nfs/dbraw/zinc/38/34/03/560383403.db2.gz RRSOXQFFXSYGNC-MBDNFAEBSA-N 1 3 356.558 2.265 20 0 FEADHO CN1CCN(C)[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453114168 560383404 /nfs/dbraw/zinc/38/34/04/560383404.db2.gz RRSOXQFFXSYGNC-MBDNFAEBSA-N 1 3 356.558 2.265 20 0 FEADHO CN1CCN(C)[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453114168 560383405 /nfs/dbraw/zinc/38/34/05/560383405.db2.gz RRSOXQFFXSYGNC-MBDNFAEBSA-N 1 3 356.558 2.265 20 0 FEADHO CN1CCN(C)[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453114172 560383464 /nfs/dbraw/zinc/38/34/64/560383464.db2.gz RRSOXQFFXSYGNC-YSFYHYPLSA-N 1 3 356.558 2.265 20 0 FEADHO CN1CCN(C)[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453114172 560383465 /nfs/dbraw/zinc/38/34/65/560383465.db2.gz RRSOXQFFXSYGNC-YSFYHYPLSA-N 1 3 356.558 2.265 20 0 FEADHO CN1CCN(C)[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453114172 560383466 /nfs/dbraw/zinc/38/34/66/560383466.db2.gz RRSOXQFFXSYGNC-YSFYHYPLSA-N 1 3 356.558 2.265 20 0 FEADHO CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453707446 560398421 /nfs/dbraw/zinc/39/84/21/560398421.db2.gz BUZIQZOCEZEGIP-LJQANCHMSA-N 1 3 374.529 2.220 20 0 FEADHO CO[C@H]1C[C@@H](CN(C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)N(C)C1 ZINC000455835317 560496935 /nfs/dbraw/zinc/49/69/35/560496935.db2.gz AEXMQQQYTSDADH-LNLFQRSKSA-N 1 3 360.502 2.418 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000457785474 560587482 /nfs/dbraw/zinc/58/74/82/560587482.db2.gz LIPHGZXIKUIJQC-IAGOWNOFSA-N 1 3 350.532 2.448 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000457785474 560587483 /nfs/dbraw/zinc/58/74/83/560587483.db2.gz LIPHGZXIKUIJQC-IAGOWNOFSA-N 1 3 350.532 2.448 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)N(C)C)cc1 ZINC000458010369 560598877 /nfs/dbraw/zinc/59/88/77/560598877.db2.gz KKEBDQJQCDGNMY-NVXWUHKLSA-N 1 3 350.532 2.405 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2C)N(C)C)cc1 ZINC000458010369 560598879 /nfs/dbraw/zinc/59/88/79/560598879.db2.gz KKEBDQJQCDGNMY-NVXWUHKLSA-N 1 3 350.532 2.405 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCOC(C)(C)C1 ZINC000459137561 560669344 /nfs/dbraw/zinc/66/93/44/560669344.db2.gz MYGBQMFJJIIFOQ-ZWKOTPCHSA-N 1 3 368.566 2.249 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCOC(C)(C)C1 ZINC000459137561 560669346 /nfs/dbraw/zinc/66/93/46/560669346.db2.gz MYGBQMFJJIIFOQ-ZWKOTPCHSA-N 1 3 368.566 2.249 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@H]([NH+](C)C)C3)CC2)c1 ZINC000462013767 560792750 /nfs/dbraw/zinc/79/27/50/560792750.db2.gz LFGXCFWHIHDVLY-HXUWFJFHSA-N 1 3 358.530 2.060 20 0 FEADHO O=C(CN1CCC[C@@H]2COCC[C@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000464860659 560853884 /nfs/dbraw/zinc/85/38/84/560853884.db2.gz ZSYKDYRCLNUMJD-NHCUHLMSSA-N 1 3 371.525 2.400 20 0 FEADHO CC[C@@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000465541704 560867767 /nfs/dbraw/zinc/86/77/67/560867767.db2.gz JLTWRTDBTAWRMP-SFTDATJTSA-N 1 3 368.525 2.479 20 0 FEADHO CC[C@@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000465541704 560867768 /nfs/dbraw/zinc/86/77/68/560867768.db2.gz JLTWRTDBTAWRMP-SFTDATJTSA-N 1 3 368.525 2.479 20 0 FEADHO COCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000465749667 560871997 /nfs/dbraw/zinc/87/19/97/560871997.db2.gz IXAJDDSOGZPFHL-PKOBYXMFSA-N 1 3 362.518 2.089 20 0 FEADHO COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000465749667 560871998 /nfs/dbraw/zinc/87/19/98/560871998.db2.gz IXAJDDSOGZPFHL-PKOBYXMFSA-N 1 3 362.518 2.089 20 0 FEADHO CN(C)CCOC1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000466303842 560883915 /nfs/dbraw/zinc/88/39/15/560883915.db2.gz ZACDPHYKAXKYTR-SFHVURJKSA-N 1 3 366.550 2.003 20 0 FEADHO CN(C)CCOC1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000466303842 560883916 /nfs/dbraw/zinc/88/39/16/560883916.db2.gz ZACDPHYKAXKYTR-SFHVURJKSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000468711656 560936815 /nfs/dbraw/zinc/93/68/15/560936815.db2.gz PQHQHICCGUVQSX-HXUWFJFHSA-N 1 3 372.557 2.435 20 0 FEADHO C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 ZINC000469484724 560956266 /nfs/dbraw/zinc/95/62/66/560956266.db2.gz XMZAMSKNLSUDRW-FQEVSTJZSA-N 1 3 359.514 2.050 20 0 FEADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000470015028 560971990 /nfs/dbraw/zinc/97/19/90/560971990.db2.gz JLQXNROJBNSSOV-CQSZACIVSA-N 1 3 361.877 2.017 20 0 FEADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000470018328 560972239 /nfs/dbraw/zinc/97/22/39/560972239.db2.gz NQJUCEUPAZFUDZ-AWEZNQCLSA-N 1 3 361.877 2.017 20 0 FEADHO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc4c(c3)CNC4)nc2)CC1 ZINC000470359423 560979317 /nfs/dbraw/zinc/97/93/17/560979317.db2.gz OVZTVAXYPNOYNV-UHFFFAOYSA-N 1 3 365.481 2.468 20 0 FEADHO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccc4c(c3)CNC4)CC2)C[C@@H](C)O1 ZINC000470373316 560979985 /nfs/dbraw/zinc/97/99/85/560979985.db2.gz CTUGQNVBQNNKJW-HZPDHXFCSA-N 1 3 357.498 2.251 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCCN1C ZINC000472160895 561019796 /nfs/dbraw/zinc/01/97/96/561019796.db2.gz LCTGNSAHEKBUJY-RSPOEFSDSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCCN1C ZINC000472160895 561019797 /nfs/dbraw/zinc/01/97/97/561019797.db2.gz LCTGNSAHEKBUJY-RSPOEFSDSA-N 1 3 356.514 2.243 20 0 FEADHO Cc1ccc(CCC[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)cn1 ZINC000474726253 561081440 /nfs/dbraw/zinc/08/14/40/561081440.db2.gz OQNSNSVGDSGENP-UHFFFAOYSA-N 1 3 354.498 2.404 20 0 FEADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)C1CC1 ZINC000477042836 561134950 /nfs/dbraw/zinc/13/49/50/561134950.db2.gz YPCMUZZLYATRSA-AZUAARDMSA-N 1 3 356.514 2.433 20 0 FEADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)C1CC1 ZINC000477042836 561134951 /nfs/dbraw/zinc/13/49/51/561134951.db2.gz YPCMUZZLYATRSA-AZUAARDMSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529313258 562368749 /nfs/dbraw/zinc/36/87/49/562368749.db2.gz JLPYYBVQMWGYGO-NEWSRXKRSA-N 1 3 356.514 2.481 20 0 FEADHO O=C(N1CCC[C@H]([NH+]2CCCC2)CC1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531301178 562441258 /nfs/dbraw/zinc/44/12/58/562441258.db2.gz IMJITJOIGQWAST-UNMCSNQZSA-N 1 3 371.525 2.100 20 0 FEADHO O=C(N1CCC[C@H]([NH+]2CCCC2)CC1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531301176 562441341 /nfs/dbraw/zinc/44/13/41/562441341.db2.gz IMJITJOIGQWAST-RBBKRZOGSA-N 1 3 371.525 2.100 20 0 FEADHO Cc1nccn1-c1ccc([C@H](C)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000532215303 562470734 /nfs/dbraw/zinc/47/07/34/562470734.db2.gz MQAHWAGEAGTGPZ-QFBILLFUSA-N 1 3 369.513 2.419 20 0 FEADHO Cc1nccn1-c1ccc([C@H](C)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000532215303 562470735 /nfs/dbraw/zinc/47/07/35/562470735.db2.gz MQAHWAGEAGTGPZ-QFBILLFUSA-N 1 3 369.513 2.419 20 0 FEADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000532215303 562470736 /nfs/dbraw/zinc/47/07/36/562470736.db2.gz MQAHWAGEAGTGPZ-QFBILLFUSA-N 1 3 369.513 2.419 20 0 FEADHO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000532286385 562472826 /nfs/dbraw/zinc/47/28/26/562472826.db2.gz HARGECRWZXCNPT-LJQANCHMSA-N 1 3 370.497 2.477 20 0 FEADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(O)CCN(C)CC2)c(Cl)c1 ZINC000532521068 562480207 /nfs/dbraw/zinc/48/02/07/562480207.db2.gz WBSSANJMQRLNJM-CQSZACIVSA-N 1 3 353.894 2.412 20 0 FEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000533812094 562518913 /nfs/dbraw/zinc/51/89/13/562518913.db2.gz NUFBRSLEYCVVAM-LPHOPBHVSA-N 1 3 353.470 2.050 20 0 FEADHO C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)C2)CC1 ZINC000535897512 562570525 /nfs/dbraw/zinc/57/05/25/562570525.db2.gz ATFNARJDBABAGF-LEWJYISDSA-N 1 3 370.541 2.484 20 0 FEADHO C[C@@H]([NH2+]CC(=O)NCC(=O)c1cccs1)[C@@H]1CCCN(C2CCC2)C1 ZINC000541600224 562616210 /nfs/dbraw/zinc/61/62/10/562616210.db2.gz YMSBCHZGFQFVQX-HUUCEWRRSA-N 1 3 363.527 2.290 20 0 FEADHO C[C@@H](C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)CN1CCCCC1 ZINC000556058783 674386538 /nfs/dbraw/zinc/38/65/38/674386538.db2.gz DBZFBQDEDUMCLL-HNAYVOBHSA-N 1 3 365.543 2.423 20 0 FEADHO CC(C)[C@@H](CNC(=O)Nc1cnn(C2CCN(C)CC2)c1)[NH+]1CCCC1 ZINC000636732010 567986872 /nfs/dbraw/zinc/98/68/72/567986872.db2.gz SJNDRARFHHXPBE-GOSISDBHSA-N 1 3 362.522 2.392 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCCN3CCN(c4ccccc4)CC3)C[C@@H]21 ZINC000563110017 568195431 /nfs/dbraw/zinc/19/54/31/568195431.db2.gz ZNOOISIZTRRLEK-HLAWJBBLSA-N 1 3 370.541 2.175 20 0 FEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000604116332 568213131 /nfs/dbraw/zinc/21/31/31/568213131.db2.gz RDNZREZPIXEODE-VQTJNVASSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000604116332 568213132 /nfs/dbraw/zinc/21/31/32/568213132.db2.gz RDNZREZPIXEODE-VQTJNVASSA-N 1 3 356.514 2.435 20 0 FEADHO COC(=O)CC1CCN(C/C=C/C[NH+]2CCC(CC(=O)OC)CC2)CC1 ZINC000604274111 568242342 /nfs/dbraw/zinc/24/23/42/568242342.db2.gz TZJOFITYFHWJQS-ONEGZZNKSA-N 1 3 366.502 2.093 20 0 FEADHO O=C(NC[C@@H]1CCCC[NH2+]1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000636987761 568280973 /nfs/dbraw/zinc/28/09/73/568280973.db2.gz CSBYWFPKYKSNHI-FPOVZHCZSA-N 1 3 356.514 2.436 20 0 FEADHO CC1CCN(C[C@H](O)C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000563142066 568295940 /nfs/dbraw/zinc/29/59/40/568295940.db2.gz LFNLCHMUINPWBD-QGZVFWFLSA-N 1 3 353.894 2.351 20 0 FEADHO CCN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000556925652 674428256 /nfs/dbraw/zinc/42/82/56/674428256.db2.gz XYMIMEIIZABIIG-GOEBONIOSA-N 1 3 373.950 2.247 20 0 FEADHO c1sc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1-c1nnn[n-]1 ZINC000826516554 608254490 /nfs/dbraw/zinc/25/44/90/608254490.db2.gz PADORNPRALROKD-UHFFFAOYSA-N 1 3 355.471 2.329 20 0 FEADHO c1sc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1-c1nn[n-]n1 ZINC000826516554 608254492 /nfs/dbraw/zinc/25/44/92/608254492.db2.gz PADORNPRALROKD-UHFFFAOYSA-N 1 3 355.471 2.329 20 0 FEADHO CCC[C@@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCO1 ZINC000561309388 674655102 /nfs/dbraw/zinc/65/51/02/674655102.db2.gz HMDLTNFZXXNCQZ-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000561578411 674681474 /nfs/dbraw/zinc/68/14/74/674681474.db2.gz IVXQNAOKFYMYDD-KRWDZBQOSA-N 1 3 350.507 2.473 20 0 FEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000561578411 674681478 /nfs/dbraw/zinc/68/14/78/674681478.db2.gz IVXQNAOKFYMYDD-KRWDZBQOSA-N 1 3 350.507 2.473 20 0 FEADHO CC[NH+](CC)CC(C)(C)COC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000813150551 674724408 /nfs/dbraw/zinc/72/44/08/674724408.db2.gz GTEMJTMBINKRMQ-VXGBXAGGSA-N 1 3 352.397 2.355 20 0 FEADHO Cn1c2ccc(CN3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)cc2sc1=O ZINC000562751428 674801823 /nfs/dbraw/zinc/80/18/23/674801823.db2.gz WSTMPBOKUNIFDA-WBVHZDCISA-N 1 3 361.511 2.318 20 0 FEADHO COc1ccc([C@@H](CNC(=S)NCCC[NH+](C)C)N2CCCC2)cc1 ZINC000044511699 670191165 /nfs/dbraw/zinc/19/11/65/670191165.db2.gz CDAHYKINXKKWRJ-GOSISDBHSA-N 1 3 364.559 2.248 20 0 FEADHO COc1ccc([C@@H](CNC(=S)NCC[NH+](C)C)N2CCCCC2)cc1 ZINC000058731393 670380887 /nfs/dbraw/zinc/38/08/87/670380887.db2.gz CWIYHVNFPZIOSI-GOSISDBHSA-N 1 3 364.559 2.248 20 0 FEADHO Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H](n4cc(CN)nn4)C3)s2)cn1 ZINC000569573078 670580552 /nfs/dbraw/zinc/58/05/52/670580552.db2.gz WQRVUNQWCAQYKH-HNNXBMFYSA-N 1 3 357.487 2.036 20 0 FEADHO Cn1cc(-c2ccc(C[N@H+]3CCC[C@H](n4cc(CN)nn4)C3)s2)cn1 ZINC000569573078 670580557 /nfs/dbraw/zinc/58/05/57/670580557.db2.gz WQRVUNQWCAQYKH-HNNXBMFYSA-N 1 3 357.487 2.036 20 0 FEADHO O[C@@H](CNCCC[NH+]1CCC(O)CC1)Cc1ccccc1C(F)(F)F ZINC000565660030 675141227 /nfs/dbraw/zinc/14/12/27/675141227.db2.gz WLICJATZGGMJGX-MRXNPFEDSA-N 1 3 360.420 2.045 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4ncsc4C3)CC2)CC1 ZINC000572133045 670965458 /nfs/dbraw/zinc/96/54/58/670965458.db2.gz WNOJTLOGNTWLJN-UHFFFAOYSA-N 1 3 362.543 2.224 20 0 FEADHO O=C(Nc1ccc(F)c(Cl)c1)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000577375227 671591997 /nfs/dbraw/zinc/59/19/97/671591997.db2.gz UYXRPVWFEGSRPQ-UHFFFAOYSA-N 1 3 368.884 2.035 20 0 FEADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000580312730 671797028 /nfs/dbraw/zinc/79/70/28/671797028.db2.gz XPFZZUFEBIRTNW-CABCVRRESA-N 1 3 354.397 2.476 20 0 FEADHO CS(=O)(=O)Nc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000583988695 672145007 /nfs/dbraw/zinc/14/50/07/672145007.db2.gz SQNOWSXQOYKVNI-KZNAEPCWSA-N 1 3 351.516 2.459 20 0 FEADHO COCCC[NH+]1CCC(NC[C@H](O)COc2cc(C)ccc2C)CC1 ZINC000584776341 672214798 /nfs/dbraw/zinc/21/47/98/672214798.db2.gz WJIUGTIQGPLZAF-IBGZPJMESA-N 1 3 350.503 2.134 20 0 FEADHO CCN1CCN(CCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000177212869 672380879 /nfs/dbraw/zinc/38/08/79/672380879.db2.gz IYKWVWBCFGMKMH-UHFFFAOYSA-N 1 3 354.539 2.003 20 0 FEADHO CSc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccn1 ZINC000682053610 672732094 /nfs/dbraw/zinc/73/20/94/672732094.db2.gz NEAOIKDYQBVXBQ-UHFFFAOYSA-N 1 3 363.531 2.484 20 0 FEADHO CSCC1(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000595488294 673257162 /nfs/dbraw/zinc/25/71/62/673257162.db2.gz KMEKEGUKDDOKTR-UHFFFAOYSA-N 1 3 368.591 2.378 20 0 FEADHO C[NH+](C)CCCNC(=S)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000731159886 673324731 /nfs/dbraw/zinc/32/47/31/673324731.db2.gz MGBATDBCNQIDAC-UHFFFAOYSA-N 1 3 370.607 2.216 20 0 FEADHO COC(=O)[C@@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)[C@H]2CCC[C@H]21 ZINC000599656922 673702938 /nfs/dbraw/zinc/70/29/38/673702938.db2.gz WBQUPMJBBRAXIG-OTWHNJEPSA-N 1 3 351.535 2.066 20 0 FEADHO COC(=O)[C@@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)[C@H]2CCC[C@H]21 ZINC000599656922 673702939 /nfs/dbraw/zinc/70/29/39/673702939.db2.gz WBQUPMJBBRAXIG-OTWHNJEPSA-N 1 3 351.535 2.066 20 0 FEADHO CN(C)C1CC[NH+](C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000818169324 675201341 /nfs/dbraw/zinc/20/13/41/675201341.db2.gz XVUYEIYMSAHBTG-KRWDZBQOSA-N 1 3 355.523 2.020 20 0 FEADHO COC(OC)c1ccc(F)c(CNCCN2CCC([NH+](C)C)CC2)c1 ZINC000818196487 675204060 /nfs/dbraw/zinc/20/40/60/675204060.db2.gz YHLRPIVHVHBADJ-UHFFFAOYSA-N 1 3 353.482 2.233 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000819181824 675267229 /nfs/dbraw/zinc/26/72/29/675267229.db2.gz BPJFHAOVQWHFIK-IAGOWNOFSA-N 1 3 357.539 2.172 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000819181824 675267233 /nfs/dbraw/zinc/26/72/33/675267233.db2.gz BPJFHAOVQWHFIK-IAGOWNOFSA-N 1 3 357.539 2.172 20 0 FEADHO CCOc1cc(CN[C@H](C)C[C@H](C)[NH3+])ccc1O[C@@H](C)C(=O)N(C)C ZINC000567501776 675298501 /nfs/dbraw/zinc/29/85/01/675298501.db2.gz GVUAHPXWOQXNKR-ZNMIVQPWSA-N 1 3 351.491 2.156 20 0 FEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000567499443 675298561 /nfs/dbraw/zinc/29/85/61/675298561.db2.gz ZWZOWMDLHUZNRL-BCVKRFQSSA-N 1 3 350.429 2.217 20 0 FEADHO COCCC[NH+]1CCC(NC[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000567682390 675311970 /nfs/dbraw/zinc/31/19/70/675311970.db2.gz PFKURVARCCVNOF-QGZVFWFLSA-N 1 3 370.921 2.479 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](OC)C(C)(C)C)CC2)CC1 ZINC000568201146 675358055 /nfs/dbraw/zinc/35/80/55/675358055.db2.gz IPYCYUSKESVSFY-GOSISDBHSA-N 1 3 353.551 2.360 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(OC(F)F)cc1F ZINC000824825974 675623634 /nfs/dbraw/zinc/62/36/34/675623634.db2.gz FPVWRSCCFNRDPP-LBPRGKRZSA-N 1 3 361.408 2.429 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(OC(F)F)cc1F ZINC000824825974 675623635 /nfs/dbraw/zinc/62/36/35/675623635.db2.gz FPVWRSCCFNRDPP-LBPRGKRZSA-N 1 3 361.408 2.429 20 0 FEADHO C[C@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)N1CCCCCC1 ZINC000617112827 676270447 /nfs/dbraw/zinc/27/04/47/676270447.db2.gz KWKPDMCGTOWFPX-QGZVFWFLSA-N 1 3 351.535 2.258 20 0 FEADHO COc1cccc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1Cl ZINC000617502725 676288325 /nfs/dbraw/zinc/28/83/25/676288325.db2.gz ZUFLOSOQEWVEMW-AWEZNQCLSA-N 1 3 355.910 2.279 20 0 FEADHO COc1cccc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1Cl ZINC000617502725 676288326 /nfs/dbraw/zinc/28/83/26/676288326.db2.gz ZUFLOSOQEWVEMW-AWEZNQCLSA-N 1 3 355.910 2.279 20 0 FEADHO C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503968 676289012 /nfs/dbraw/zinc/28/90/12/676289012.db2.gz CJONQUWNXOPUOH-LSDHHAIUSA-N 1 3 355.910 2.496 20 0 FEADHO C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503968 676289013 /nfs/dbraw/zinc/28/90/13/676289013.db2.gz CJONQUWNXOPUOH-LSDHHAIUSA-N 1 3 355.910 2.496 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)[C@H]1OCCc2sccc21 ZINC000617508009 676289778 /nfs/dbraw/zinc/28/97/78/676289778.db2.gz RMHDAZXREHQAIH-RLFYNMQTSA-N 1 3 367.559 2.386 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)[C@H]1OCCc2sccc21 ZINC000617508009 676289779 /nfs/dbraw/zinc/28/97/79/676289779.db2.gz RMHDAZXREHQAIH-RLFYNMQTSA-N 1 3 367.559 2.386 20 0 FEADHO C[C@@H]1C[C@H](CCNS(=O)(=O)CCCN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000632137246 676977832 /nfs/dbraw/zinc/97/78/32/676977832.db2.gz IXLLZTWXGFPMJJ-MJGOQNOKSA-N 1 3 367.559 2.158 20 0 FEADHO C[C@@H]1C[C@H](CCNS(=O)(=O)CCCN(C)C)C[N@H+]1Cc1ccccc1 ZINC000632137246 676977833 /nfs/dbraw/zinc/97/78/33/676977833.db2.gz IXLLZTWXGFPMJJ-MJGOQNOKSA-N 1 3 367.559 2.158 20 0 FEADHO CN(CC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)CC(C)(C)C ZINC000635616261 677103126 /nfs/dbraw/zinc/10/31/26/677103126.db2.gz UDSLEIKEFRHNKP-UHFFFAOYSA-N 1 3 352.567 2.031 20 0 FEADHO CN(C)[C@@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)c1c(F)cccc1F ZINC000638634046 677148264 /nfs/dbraw/zinc/14/82/64/677148264.db2.gz LVMZHVADQGBOJR-KRWDZBQOSA-N 1 3 355.473 2.392 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000638729567 677149394 /nfs/dbraw/zinc/14/93/94/677149394.db2.gz RWPHJWKIWVUMSA-QZTJIDSGSA-N 1 3 351.535 2.388 20 0 FEADHO CNC(=O)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000647804167 677306176 /nfs/dbraw/zinc/30/61/76/677306176.db2.gz KOQKUJFZCVOEQZ-OFQRWUPVSA-N 1 3 357.420 2.327 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649287582 677328758 /nfs/dbraw/zinc/32/87/58/677328758.db2.gz RUIMVHSQSALSQD-KRWDZBQOSA-N 1 3 351.441 2.274 20 0 FEADHO CC(C)N1CCC([N@H+](C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000649504309 677331680 /nfs/dbraw/zinc/33/16/80/677331680.db2.gz SKRYLVVBLNQLSK-UHFFFAOYSA-N 1 3 365.543 2.432 20 0 FEADHO CC(C)N1CCC([N@@H+](C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000649504309 677331681 /nfs/dbraw/zinc/33/16/81/677331681.db2.gz SKRYLVVBLNQLSK-UHFFFAOYSA-N 1 3 365.543 2.432 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCC[C@H]3OC)CC2)CC1 ZINC000655164323 677626407 /nfs/dbraw/zinc/62/64/07/677626407.db2.gz CGUAANIFKUPPCT-RTBURBONSA-N 1 3 351.535 2.257 20 0 FEADHO CNC(=O)[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)Cc1ccc(C(F)(F)F)cc1 ZINC000656200245 677727653 /nfs/dbraw/zinc/72/76/53/677727653.db2.gz JODIHBWZZIRJPF-NUEKZKHPSA-N 1 3 357.420 2.470 20 0 FEADHO CCS(=O)(=O)C1(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000658301667 678070813 /nfs/dbraw/zinc/07/08/13/678070813.db2.gz ZSBOXVVGBZAZQT-HNNXBMFYSA-N 1 3 354.516 2.245 20 0 FEADHO C[C@@H]1CCCN(S(=O)(=O)c2ccc(CN(C)C)cc2)[C@@H]1CCC[NH3+] ZINC000658400563 678084585 /nfs/dbraw/zinc/08/45/85/678084585.db2.gz ZOAQXDJNJKRSPA-CRAIPNDOSA-N 1 3 353.532 2.276 20 0 FEADHO N[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC[C@H]1F ZINC000659444952 678178206 /nfs/dbraw/zinc/17/82/06/678178206.db2.gz JWEVPHVSPTUNEH-FVQBIDKESA-N 1 3 354.495 2.041 20 0 FEADHO N[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC[C@H]1F ZINC000659444952 678178209 /nfs/dbraw/zinc/17/82/09/678178209.db2.gz JWEVPHVSPTUNEH-FVQBIDKESA-N 1 3 354.495 2.041 20 0 FEADHO C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](F)[C@H](N)C2)[C@H]1c1cccs1 ZINC000659458238 678179694 /nfs/dbraw/zinc/17/96/94/678179694.db2.gz CTYJTMNPBIAHRF-KQTLUZQSSA-N 1 3 354.495 2.212 20 0 FEADHO C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](F)[C@H](N)C2)[C@H]1c1cccs1 ZINC000659458238 678179698 /nfs/dbraw/zinc/17/96/98/678179698.db2.gz CTYJTMNPBIAHRF-KQTLUZQSSA-N 1 3 354.495 2.212 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000661399582 678477916 /nfs/dbraw/zinc/47/79/16/678477916.db2.gz KTPZWVVDLIEKGY-IRXDYDNUSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CSc2ccccc21 ZINC000664166927 678838215 /nfs/dbraw/zinc/83/82/15/678838215.db2.gz WETVGBCSNQMTCI-HOCLYGCPSA-N 1 3 350.532 2.405 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CSc2ccccc21 ZINC000664166927 678838225 /nfs/dbraw/zinc/83/82/25/678838225.db2.gz WETVGBCSNQMTCI-HOCLYGCPSA-N 1 3 350.532 2.405 20 0 FEADHO CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000665759688 678981773 /nfs/dbraw/zinc/98/17/73/678981773.db2.gz MNWHLLQSJKRGCS-GVDBMIGSSA-N 1 3 356.555 2.103 20 0 FEADHO CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000665759688 678981775 /nfs/dbraw/zinc/98/17/75/678981775.db2.gz MNWHLLQSJKRGCS-GVDBMIGSSA-N 1 3 356.555 2.103 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1(C)C ZINC000831089119 679920377 /nfs/dbraw/zinc/92/03/77/679920377.db2.gz SQMYMQAKIVJUKU-CVVKJMNTSA-N 1 3 351.535 2.432 20 0 FEADHO Cc1ncsc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995828454 680305274 /nfs/dbraw/zinc/30/52/74/680305274.db2.gz YKWLYMYDUMQWLP-IIAWOOMASA-N 1 3 350.532 2.118 20 0 FEADHO Cc1ncsc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995828454 680305276 /nfs/dbraw/zinc/30/52/76/680305276.db2.gz YKWLYMYDUMQWLP-IIAWOOMASA-N 1 3 350.532 2.118 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3c(F)cccc3F)C2)CC[N@@H+]1C ZINC000983704945 680322518 /nfs/dbraw/zinc/32/25/18/680322518.db2.gz OLJQMUZVDFINAV-KBUPBQIOSA-N 1 3 351.441 2.289 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3c(F)cccc3F)C2)CC[N@H+]1C ZINC000983704945 680322521 /nfs/dbraw/zinc/32/25/21/680322521.db2.gz OLJQMUZVDFINAV-KBUPBQIOSA-N 1 3 351.441 2.289 20 0 FEADHO COc1nscc1CNC1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001026496840 680345097 /nfs/dbraw/zinc/34/50/97/680345097.db2.gz XMHZLULVUJKOSD-TWRYWWQQSA-N 1 3 366.531 2.009 20 0 FEADHO COc1nscc1CNC1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001026496840 680345100 /nfs/dbraw/zinc/34/51/00/680345100.db2.gz XMHZLULVUJKOSD-TWRYWWQQSA-N 1 3 366.531 2.009 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)CCc3ccns3)C2)CC[N@@H+]1C ZINC001027418996 680356865 /nfs/dbraw/zinc/35/68/65/680356865.db2.gz KNDGROSLDSFTPB-BPQIPLTHSA-N 1 3 364.559 2.339 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)CCc3ccns3)C2)CC[N@H+]1C ZINC001027418996 680356870 /nfs/dbraw/zinc/35/68/70/680356870.db2.gz KNDGROSLDSFTPB-BPQIPLTHSA-N 1 3 364.559 2.339 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cnc(C)s2)CC[N@@H+]1C ZINC001034941286 680441241 /nfs/dbraw/zinc/44/12/41/680441241.db2.gz PDMGPGACMABKFY-HYVNUMGLSA-N 1 3 350.532 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cnc(C)s2)CC[N@H+]1C ZINC001034941286 680441244 /nfs/dbraw/zinc/44/12/44/680441244.db2.gz PDMGPGACMABKFY-HYVNUMGLSA-N 1 3 350.532 2.262 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C(=S)NC2CCN(C)CC2)CC1 ZINC000766705162 680885310 /nfs/dbraw/zinc/88/53/10/680885310.db2.gz RENHKBCMAFIKQY-UHFFFAOYSA-N 1 3 370.607 2.026 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C(=S)NC2CCN(C)CC2)CC1 ZINC000766705162 680885311 /nfs/dbraw/zinc/88/53/11/680885311.db2.gz RENHKBCMAFIKQY-UHFFFAOYSA-N 1 3 370.607 2.026 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc(Cl)n1 ZINC000841851089 680914703 /nfs/dbraw/zinc/91/47/03/680914703.db2.gz KGCQVUWUZGVNHG-HOCLYGCPSA-N 1 3 350.894 2.281 20 0 FEADHO O=C(N(CCN1CCCC1)Cc1ccc(Cl)cc1)[C@@]1(F)CC[NH2+]C1 ZINC000843490050 681006702 /nfs/dbraw/zinc/00/67/02/681006702.db2.gz WLMPYMOPTURRQL-GOSISDBHSA-N 1 3 353.869 2.466 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000847323491 681362799 /nfs/dbraw/zinc/36/27/99/681362799.db2.gz OBJVQBKIRCUCLT-AWEZNQCLSA-N 1 3 362.345 2.493 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000849067648 681649111 /nfs/dbraw/zinc/64/91/11/681649111.db2.gz SNXFTMDVQZZHLX-IUODEOHRSA-N 1 3 358.408 2.337 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000849106491 681654568 /nfs/dbraw/zinc/65/45/68/681654568.db2.gz RRFVYDSHCPMDQY-UMVBOHGHSA-N 1 3 350.429 2.068 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2CC(CNCc3ccncc3Cl)C2)CC[N@@H+]1C ZINC000961856444 682103300 /nfs/dbraw/zinc/10/33/00/682103300.db2.gz LFZBERJCGXPWDY-JMRUKAPWSA-N 1 3 364.921 2.450 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2CC(CNCc3ccncc3Cl)C2)CC[N@H+]1C ZINC000961856444 682103305 /nfs/dbraw/zinc/10/33/05/682103305.db2.gz LFZBERJCGXPWDY-JMRUKAPWSA-N 1 3 364.921 2.450 20 0 FEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852156682 682229864 /nfs/dbraw/zinc/22/98/64/682229864.db2.gz VDJNOTTWYFCXFT-ZACQAIPSSA-N 1 3 357.539 2.170 20 0 FEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852156682 682229867 /nfs/dbraw/zinc/22/98/67/682229867.db2.gz VDJNOTTWYFCXFT-ZACQAIPSSA-N 1 3 357.539 2.170 20 0 FEADHO CN(CCOCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC000858502144 682974091 /nfs/dbraw/zinc/97/40/91/682974091.db2.gz YCPCMSZIJPAZAZ-BRWVUGGUSA-N 1 3 355.523 2.332 20 0 FEADHO CN(C)S(=O)(=O)Cc1ccc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925804086 683038773 /nfs/dbraw/zinc/03/87/73/683038773.db2.gz BYBCWIXHWQAYNV-IAGOWNOFSA-N 1 3 353.532 2.074 20 0 FEADHO C[C@@H](NCCN1CCC([NH3+])CC1)c1ccccc1I ZINC000925810008 683039450 /nfs/dbraw/zinc/03/94/50/683039450.db2.gz MTJKFYKNSWLVHR-GFCCVEGCSA-N 1 3 373.282 2.365 20 0 FEADHO CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925833465 683042191 /nfs/dbraw/zinc/04/21/91/683042191.db2.gz JWZCNLWZBXZMMG-BPQIPLTHSA-N 1 3 350.528 2.389 20 0 FEADHO C[C@@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1cccc(C[NH+](C)C)c1 ZINC000926414662 683122297 /nfs/dbraw/zinc/12/22/97/683122297.db2.gz JFMFDFYTXZSWCI-CRAIPNDOSA-N 1 3 353.532 2.213 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H]3CSC[C@@H]3C)cc2)CC1 ZINC000796396463 683159407 /nfs/dbraw/zinc/15/94/07/683159407.db2.gz RJMRDEQHENRICA-YJBOKZPZSA-N 1 3 362.543 2.108 20 0 FEADHO CN1CCN(CC[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1(C)C ZINC000799727193 683488383 /nfs/dbraw/zinc/48/83/83/683488383.db2.gz YZPDFOBKAPSENJ-JKSUJKDBSA-N 1 3 354.539 2.048 20 0 FEADHO C[NH+](C)CC[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1cccnc1 ZINC000928827220 683509681 /nfs/dbraw/zinc/50/96/81/683509681.db2.gz JPQUEIZHBWZVJT-VQIMIIECSA-N 1 3 350.482 2.403 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NC2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000921721419 683556907 /nfs/dbraw/zinc/55/69/07/683556907.db2.gz ICVRYFULGIXYHW-UHFFFAOYSA-N 1 3 365.543 2.434 20 0 FEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(CCOC)s3)C2)[C@@H]1C(C)C ZINC000922393385 683713974 /nfs/dbraw/zinc/71/39/74/683713974.db2.gz JXDZNQBUMHPCLT-ZAWLATJESA-N 1 3 367.559 2.291 20 0 FEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(CCOC)s3)C2)[C@@H]1C(C)C ZINC000922393385 683713976 /nfs/dbraw/zinc/71/39/76/683713976.db2.gz JXDZNQBUMHPCLT-ZAWLATJESA-N 1 3 367.559 2.291 20 0 FEADHO [NH3+]CC[C@@H]1CCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000923493164 684291720 /nfs/dbraw/zinc/29/17/20/684291720.db2.gz RQHQOFJWCMYUAP-IUODEOHRSA-N 1 3 357.376 2.361 20 0 FEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000925115640 684525097 /nfs/dbraw/zinc/52/50/97/684525097.db2.gz KIPAMFAPARHACC-KLEKCWPYSA-N 1 3 352.862 2.074 20 0 FEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000925115640 684525100 /nfs/dbraw/zinc/52/51/00/684525100.db2.gz KIPAMFAPARHACC-KLEKCWPYSA-N 1 3 352.862 2.074 20 0 FEADHO CC(C)(C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)[C@@H]1COCC12OCCO2 ZINC000925684734 684578374 /nfs/dbraw/zinc/57/83/74/684578374.db2.gz CRYLMYWHYSQLQG-KSZLIROESA-N 1 3 352.519 2.160 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc(Cl)n1 ZINC000877361611 686363748 /nfs/dbraw/zinc/36/37/48/686363748.db2.gz VPRLILKSWZUYHV-IJLUTSLNSA-N 1 3 364.799 2.029 20 0 FEADHO CC(C)[NH+]1CCN(CCCN2CC[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC000880063365 686991347 /nfs/dbraw/zinc/99/13/47/686991347.db2.gz ZTQLPKDNXCYSBH-JKSUJKDBSA-N 1 3 351.457 2.444 20 0 FEADHO O=C1N[C@@H]2CN(CC[C@H]3CCCC3(F)F)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000883433071 687629039 /nfs/dbraw/zinc/62/90/39/687629039.db2.gz HTDASGJBUUMOIW-FVQBIDKESA-N 1 3 356.461 2.032 20 0 FEADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891322425 689050213 /nfs/dbraw/zinc/05/02/13/689050213.db2.gz ORYHSIYFSBYXLH-KBPBESRZSA-N 1 3 372.485 2.429 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CN[C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000892598416 689217161 /nfs/dbraw/zinc/21/71/61/689217161.db2.gz ZYFFFIKUIWUIPH-SJLPKXTDSA-N 1 3 368.543 2.320 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nc(C(C)(C)C)co1 ZINC000895667001 689751752 /nfs/dbraw/zinc/75/17/52/689751752.db2.gz VQZBMPCALOTNEC-AWEZNQCLSA-N 1 3 353.511 2.043 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nc(C(C)(C)C)co1 ZINC000895667001 689751754 /nfs/dbraw/zinc/75/17/54/689751754.db2.gz VQZBMPCALOTNEC-AWEZNQCLSA-N 1 3 353.511 2.043 20 0 FEADHO CN(C)S(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000903173186 690861027 /nfs/dbraw/zinc/86/10/27/690861027.db2.gz KRWZTIGXPWFRRF-KRWDZBQOSA-N 1 3 353.532 2.040 20 0 FEADHO Clc1ccc(OC2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)nc1 ZINC000903779767 690972124 /nfs/dbraw/zinc/97/21/24/690972124.db2.gz AELRHNDXTZRTIT-FUHWJXTLSA-N 1 3 351.878 2.347 20 0 FEADHO CC(C)(C[NH3+])C1CCN(CCN(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000903791435 690972423 /nfs/dbraw/zinc/97/24/23/690972423.db2.gz XMJCBFKZRQBQFN-UHFFFAOYSA-N 1 3 367.559 2.145 20 0 FEADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1nc2c(s1)CNCC2 ZINC000904474501 691030400 /nfs/dbraw/zinc/03/04/00/691030400.db2.gz UVRGNYDRXLVTKT-HNAYVOBHSA-N 1 3 356.495 2.134 20 0 FEADHO CC(C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)S(C)(=O)=O ZINC000048310231 540356549 /nfs/dbraw/zinc/35/65/49/540356549.db2.gz HGHWKFLBEBSWSS-BZUAXINKSA-N 1 3 366.527 2.214 20 0 FEADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC3CCN(C)CC3)cc2)C1 ZINC000048773745 540373580 /nfs/dbraw/zinc/37/35/80/540373580.db2.gz MNHDIEBISWZUNL-MRXNPFEDSA-N 1 3 372.513 2.067 20 0 FEADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC3CCN(C)CC3)cc2)C1 ZINC000048773745 540373584 /nfs/dbraw/zinc/37/35/84/540373584.db2.gz MNHDIEBISWZUNL-MRXNPFEDSA-N 1 3 372.513 2.067 20 0 FEADHO CN(Cc1cccs1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759846 540443171 /nfs/dbraw/zinc/44/31/71/540443171.db2.gz XEKKQDBPDLRGGT-UHFFFAOYSA-N 1 3 350.532 2.448 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000076317751 542260158 /nfs/dbraw/zinc/26/01/58/542260158.db2.gz BVEOXNZIKDCGPQ-FUHWJXTLSA-N 1 3 353.551 2.406 20 0 FEADHO CC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)CC1 ZINC000068566320 541610060 /nfs/dbraw/zinc/61/00/60/541610060.db2.gz MDFZSVMJXJUXGI-UHFFFAOYSA-N 1 3 350.482 2.383 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000072639486 541843333 /nfs/dbraw/zinc/84/33/33/541843333.db2.gz LIWDPLYRFBVRRU-MOPGFXCFSA-N 1 3 372.513 2.162 20 0 FEADHO C[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)CN1CCN(C)CC1 ZINC000073641467 541979522 /nfs/dbraw/zinc/97/95/22/541979522.db2.gz PLFGBJWEANCCSC-INIZCTEOSA-N 1 3 372.513 2.108 20 0 FEADHO C[C@@H](CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1)N1CCC[C@@H](C)C1 ZINC000074219483 542054935 /nfs/dbraw/zinc/05/49/35/542054935.db2.gz VIHQNPUVAGCCPI-MSOLQXFVSA-N 1 3 361.534 2.219 20 0 FEADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(-n2cccn2)c1 ZINC000074939530 542139671 /nfs/dbraw/zinc/13/96/71/542139671.db2.gz OUTOUVHLIRVXOX-KRWDZBQOSA-N 1 3 372.517 2.068 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000074863247 542130332 /nfs/dbraw/zinc/13/03/32/542130332.db2.gz XUCFDAUZTVJVRN-OALUTQOASA-N 1 3 366.550 2.003 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000074863247 542130335 /nfs/dbraw/zinc/13/03/35/542130335.db2.gz XUCFDAUZTVJVRN-OALUTQOASA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N1CCC(C)CC1 ZINC000074867571 542130962 /nfs/dbraw/zinc/13/09/62/542130962.db2.gz YSVFUCOULYSUTF-HKUYNNGSSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N1CCC(C)CC1 ZINC000074867571 542130965 /nfs/dbraw/zinc/13/09/65/542130965.db2.gz YSVFUCOULYSUTF-HKUYNNGSSA-N 1 3 350.551 2.480 20 0 FEADHO C[NH+](C)Cc1ccc(CNC(=O)N2CCN(CC3CCOCC3)CC2)cc1 ZINC000077546778 542395952 /nfs/dbraw/zinc/39/59/52/542395952.db2.gz QFMVNZANSSONRR-UHFFFAOYSA-N 1 3 374.529 2.002 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000091231996 542800275 /nfs/dbraw/zinc/80/02/75/542800275.db2.gz OPNGVYRIAHOZLB-SFHVURJKSA-N 1 3 350.482 2.338 20 0 FEADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000092615800 542875534 /nfs/dbraw/zinc/87/55/34/542875534.db2.gz JFWVHJXCAXFVMY-UHFFFAOYSA-N 1 3 359.514 2.365 20 0 FEADHO C[C@H]1CCCN(CCNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000093120933 542908601 /nfs/dbraw/zinc/90/86/01/542908601.db2.gz ZZHPGZXDIUPVDB-KRWDZBQOSA-N 1 3 359.518 2.329 20 0 FEADHO Cc1oc(-c2ccsc2)nc1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103213231 543097118 /nfs/dbraw/zinc/09/71/18/543097118.db2.gz SSRKLTARBSAYQJ-UHFFFAOYSA-N 1 3 364.515 2.206 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(F)cc(Br)c1 ZINC000103212291 543097165 /nfs/dbraw/zinc/09/71/65/543097165.db2.gz HGNBJKCDXFPMGO-UHFFFAOYSA-N 1 3 360.271 2.154 20 0 FEADHO C[C@H](CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C1CC1 ZINC000105244816 543166698 /nfs/dbraw/zinc/16/66/98/543166698.db2.gz SCLDXKAYAIUUMG-IEBWSBKVSA-N 1 3 358.530 2.333 20 0 FEADHO C[C@H](CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C1CC1 ZINC000105244816 543166701 /nfs/dbraw/zinc/16/67/01/543166701.db2.gz SCLDXKAYAIUUMG-IEBWSBKVSA-N 1 3 358.530 2.333 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000106527245 543234053 /nfs/dbraw/zinc/23/40/53/543234053.db2.gz OFAYFZLIEFRCPW-SFHVURJKSA-N 1 3 374.529 2.443 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000106527245 543234055 /nfs/dbraw/zinc/23/40/55/543234055.db2.gz OFAYFZLIEFRCPW-SFHVURJKSA-N 1 3 374.529 2.443 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000106458042 543230803 /nfs/dbraw/zinc/23/08/03/543230803.db2.gz CVUWEUVEKQGYPP-FQEVSTJZSA-N 1 3 360.546 2.027 20 0 FEADHO CCc1nc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cs1 ZINC000107745879 543277663 /nfs/dbraw/zinc/27/76/63/543277663.db2.gz ICAPDPALNBJNPF-UHFFFAOYSA-N 1 3 365.547 2.063 20 0 FEADHO CC1CCN(C[C@@H](O)CNC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000109167173 543316277 /nfs/dbraw/zinc/31/62/77/543316277.db2.gz PQAMWSJXUKDZNZ-IBGZPJMESA-N 1 3 368.566 2.033 20 0 FEADHO CC1CCN(C[C@@H](O)CNC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000109167173 543316279 /nfs/dbraw/zinc/31/62/79/543316279.db2.gz PQAMWSJXUKDZNZ-IBGZPJMESA-N 1 3 368.566 2.033 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000111919770 543425578 /nfs/dbraw/zinc/42/55/78/543425578.db2.gz QQGJVYLQVBFXHQ-UHFFFAOYSA-N 1 3 374.529 2.459 20 0 FEADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC[C@H](C[NH+](C)C)C1 ZINC000114480340 543520395 /nfs/dbraw/zinc/52/03/95/543520395.db2.gz WPTNOBMURPBOTO-AZUAARDMSA-N 1 3 372.557 2.039 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCN(C3CCC(C)CC3)CC2)CC1 ZINC000115565519 543573692 /nfs/dbraw/zinc/57/36/92/543573692.db2.gz VWMMODUTILQNCV-UHFFFAOYSA-N 1 3 364.578 2.172 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CN1C1CC1 ZINC000123419645 543761198 /nfs/dbraw/zinc/76/11/98/543761198.db2.gz SFGAOVLRSRJJGQ-DOTOQJQBSA-N 1 3 360.502 2.051 20 0 FEADHO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000125984821 543912487 /nfs/dbraw/zinc/91/24/87/543912487.db2.gz BKYYGMBUWJNZSK-HOTGVXAUSA-N 1 3 353.532 2.366 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(NC(C)=O)cc1 ZINC000125576493 543890100 /nfs/dbraw/zinc/89/01/00/543890100.db2.gz YBDULRSCSAPSII-HXUWFJFHSA-N 1 3 374.529 2.062 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(NC(C)=O)cc1 ZINC000125576493 543890104 /nfs/dbraw/zinc/89/01/04/543890104.db2.gz YBDULRSCSAPSII-HXUWFJFHSA-N 1 3 374.529 2.062 20 0 FEADHO CN1CCN(Cc2ccc(C[NH2+]C3CCN(CC(F)F)CC3)cc2)CC1 ZINC000126698849 543951416 /nfs/dbraw/zinc/95/14/16/543951416.db2.gz DWUNOYNHAMDNKT-UHFFFAOYSA-N 1 3 366.500 2.253 20 0 FEADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000133476012 544271660 /nfs/dbraw/zinc/27/16/60/544271660.db2.gz OBMQCXBEUMMCKX-MSOLQXFVSA-N 1 3 372.513 2.080 20 0 FEADHO CC1CCN(CC(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000136250049 544369782 /nfs/dbraw/zinc/36/97/82/544369782.db2.gz KTRYBBRLDONUOI-ROUUACIJSA-N 1 3 351.535 2.066 20 0 FEADHO CN(c1ccccc1CN[C@@H]1CC(=O)N(C2CC2)C1)C1CC[NH+](C)CC1 ZINC000151073933 544502310 /nfs/dbraw/zinc/50/23/10/544502310.db2.gz UQZRCTNYMFNQNT-QGZVFWFLSA-N 1 3 356.514 2.070 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)CN1Cc1ccccc1 ZINC000151181047 544514123 /nfs/dbraw/zinc/51/41/23/544514123.db2.gz KPTLSJCQVQHVSD-HKUYNNGSSA-N 1 3 374.529 2.059 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(N(C)C)n1 ZINC000152946994 544715676 /nfs/dbraw/zinc/71/56/76/544715676.db2.gz UTZAQOOSKXBXMD-INIZCTEOSA-N 1 3 362.522 2.027 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(N(C)C)n1 ZINC000152946994 544715679 /nfs/dbraw/zinc/71/56/79/544715679.db2.gz UTZAQOOSKXBXMD-INIZCTEOSA-N 1 3 362.522 2.027 20 0 FEADHO COc1ccc2ccccc2c1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000153299539 544757997 /nfs/dbraw/zinc/75/79/97/544757997.db2.gz MQOZNPLNRHUIGQ-UHFFFAOYSA-N 1 3 372.513 2.483 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccco1)[N@@H+]1CCC[C@H](C)C1 ZINC000154041131 544858023 /nfs/dbraw/zinc/85/80/23/544858023.db2.gz SIXFVSMEWSDKCZ-IRXDYDNUSA-N 1 3 350.507 2.473 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccco1)[N@H+]1CCC[C@H](C)C1 ZINC000154041131 544858025 /nfs/dbraw/zinc/85/80/25/544858025.db2.gz SIXFVSMEWSDKCZ-IRXDYDNUSA-N 1 3 350.507 2.473 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000154542751 544919481 /nfs/dbraw/zinc/91/94/81/544919481.db2.gz CWLDDYNARAAKAJ-SFHVURJKSA-N 1 3 356.518 2.336 20 0 FEADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000182487503 327777567 /nfs/dbraw/zinc/77/75/67/327777567.db2.gz ORBGPVFRAQOSKM-ZWKOTPCHSA-N 1 3 354.516 2.072 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000186700977 327976831 /nfs/dbraw/zinc/97/68/31/327976831.db2.gz CEPHNHBTQRJXQL-NQIIRXRSSA-N 1 3 359.514 2.300 20 0 FEADHO COCCO[C@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000188815545 328112374 /nfs/dbraw/zinc/11/23/74/328112374.db2.gz KDAIZITVECKUCW-FQEVSTJZSA-N 1 3 361.530 2.454 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000189498479 328151690 /nfs/dbraw/zinc/15/16/90/328151690.db2.gz ATECOOWPVYQANW-LPHOPBHVSA-N 1 3 374.529 2.266 20 0 FEADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000192718692 328334891 /nfs/dbraw/zinc/33/48/91/328334891.db2.gz GKHZFMHYIWZPEX-LNRIEFBSSA-N 1 3 351.516 2.213 20 0 FEADHO CCn1nc(C)c(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)c1C ZINC000089481549 325319628 /nfs/dbraw/zinc/31/96/28/325319628.db2.gz NETFPMJAGZXWAJ-QGZVFWFLSA-N 1 3 364.538 2.400 20 0 FEADHO CCn1nc(C)c(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)c1C ZINC000089481549 325319631 /nfs/dbraw/zinc/31/96/31/325319631.db2.gz NETFPMJAGZXWAJ-QGZVFWFLSA-N 1 3 364.538 2.400 20 0 FEADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000091286506 325384800 /nfs/dbraw/zinc/38/48/00/325384800.db2.gz LOBDIQJVBMMTBL-CVEARBPZSA-N 1 3 353.532 2.497 20 0 FEADHO C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000091286506 325384802 /nfs/dbraw/zinc/38/48/02/325384802.db2.gz LOBDIQJVBMMTBL-CVEARBPZSA-N 1 3 353.532 2.497 20 0 FEADHO C[NH+](C)[C@@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000111573319 325725893 /nfs/dbraw/zinc/72/58/93/325725893.db2.gz PYPLSSKQVUFOIR-FQEVSTJZSA-N 1 3 358.530 2.045 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245917937 328579017 /nfs/dbraw/zinc/57/90/17/328579017.db2.gz QHUROSIKMXMCSZ-GUDVDZBRSA-N 1 3 359.514 2.271 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000119682716 326187740 /nfs/dbraw/zinc/18/77/40/326187740.db2.gz KWOGOLJJELBJIT-HXUWFJFHSA-N 1 3 372.557 2.293 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000119682716 326187742 /nfs/dbraw/zinc/18/77/42/326187742.db2.gz KWOGOLJJELBJIT-HXUWFJFHSA-N 1 3 372.557 2.293 20 0 FEADHO COc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)n1 ZINC000120288120 326246630 /nfs/dbraw/zinc/24/66/30/326246630.db2.gz MMNGRALAMGGBSJ-UHFFFAOYSA-N 1 3 361.490 2.079 20 0 FEADHO C[C@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)CN1CCN(C)CC1 ZINC000120798501 326288822 /nfs/dbraw/zinc/28/88/22/326288822.db2.gz GCKZRAJBMOWWTH-MOPGFXCFSA-N 1 3 362.562 2.161 20 0 FEADHO CN(C)Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000121971419 326378951 /nfs/dbraw/zinc/37/89/51/326378951.db2.gz ZWPCWGIJICANPH-PMACEKPBSA-N 1 3 359.514 2.246 20 0 FEADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000167415738 327084883 /nfs/dbraw/zinc/08/48/83/327084883.db2.gz KGQYLZHJDMMWGO-SESVDKBCSA-N 1 3 371.525 2.180 20 0 FEADHO CC[NH+](CC)CCNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000170755392 327097248 /nfs/dbraw/zinc/09/72/48/327097248.db2.gz VATQVTXVHRZTJR-UHFFFAOYSA-N 1 3 361.534 2.072 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)CC3CC[NH+](C)CC3)cc2)CC1 ZINC000173133298 327236730 /nfs/dbraw/zinc/23/67/30/327236730.db2.gz LCPKLQDOYVUTKJ-UHFFFAOYSA-N 1 3 358.530 2.242 20 0 FEADHO C[NH+](C)CCn1ccc(NC(=O)NCCCN2CCc3ccccc3C2)n1 ZINC000173952710 327297046 /nfs/dbraw/zinc/29/70/46/327297046.db2.gz JXVJWAIQVMWQBN-UHFFFAOYSA-N 1 3 370.501 2.015 20 0 FEADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174010582 327301560 /nfs/dbraw/zinc/30/15/60/327301560.db2.gz HYBVLKBUQZNQGK-UXHICEINSA-N 1 3 354.498 2.307 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000174961457 327364011 /nfs/dbraw/zinc/36/40/11/327364011.db2.gz AETHEOQVZNBBLL-UHFFFAOYSA-N 1 3 360.502 2.067 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC([C@@H](C)[NH3+])CC3)cc2)CC1 ZINC000178869049 327612577 /nfs/dbraw/zinc/61/25/77/327612577.db2.gz FBGJIPKARSVVFT-QGZVFWFLSA-N 1 3 358.530 2.416 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262289861 328857105 /nfs/dbraw/zinc/85/71/05/328857105.db2.gz MVRZWRQJLLOMAE-GIOYIUAESA-N 1 3 351.535 2.146 20 0 FEADHO COc1cc(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])ccc1OCCN(C)C ZINC000263061525 328912156 /nfs/dbraw/zinc/91/21/56/328912156.db2.gz VKZGHFVKRKQTEL-OXQOHEQNSA-N 1 3 363.502 2.159 20 0 FEADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000264275417 329006748 /nfs/dbraw/zinc/00/67/48/329006748.db2.gz MNLFONGFQCHQRJ-UHFFFAOYSA-N 1 3 360.546 2.286 20 0 FEADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000264275417 329006749 /nfs/dbraw/zinc/00/67/49/329006749.db2.gz MNLFONGFQCHQRJ-UHFFFAOYSA-N 1 3 360.546 2.286 20 0 FEADHO CN(C)C1(CNC(=O)N(C)CC2CC[NH+](C)CC2)Cc2ccccc2C1 ZINC000266463191 329225544 /nfs/dbraw/zinc/22/55/44/329225544.db2.gz DYDCLCFARFEQGV-UHFFFAOYSA-N 1 3 358.530 2.069 20 0 FEADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267365391 329319326 /nfs/dbraw/zinc/31/93/26/329319326.db2.gz FFJBVOXZUKJDMX-CTNGQTDRSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267365391 329319327 /nfs/dbraw/zinc/31/93/27/329319327.db2.gz FFJBVOXZUKJDMX-CTNGQTDRSA-N 1 3 372.557 2.041 20 0 FEADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000267511189 329334508 /nfs/dbraw/zinc/33/45/08/329334508.db2.gz LUMOVNGFFWXULJ-RLLQIKCJSA-N 1 3 374.529 2.059 20 0 FEADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000267511189 329334510 /nfs/dbraw/zinc/33/45/10/329334510.db2.gz LUMOVNGFFWXULJ-RLLQIKCJSA-N 1 3 374.529 2.059 20 0 FEADHO CN(c1ccccc1C[NH2+]CC1(C(N)=O)CCCC1)C1CCN(C)CC1 ZINC000268392581 329414714 /nfs/dbraw/zinc/41/47/14/329414714.db2.gz XVMFZTKNPUBNFC-UHFFFAOYSA-N 1 3 358.530 2.352 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000275705916 330079625 /nfs/dbraw/zinc/07/96/25/330079625.db2.gz QYNDMTCEZIKTBK-UHFFFAOYSA-N 1 3 374.529 2.155 20 0 FEADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000294188900 330191206 /nfs/dbraw/zinc/19/12/06/330191206.db2.gz UOPHFYNNXKCJKD-NHCUHLMSSA-N 1 3 372.557 2.076 20 0 FEADHO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000367253032 330236417 /nfs/dbraw/zinc/23/64/17/330236417.db2.gz STJQJPHUFOLCBR-VQTJNVASSA-N 1 3 364.578 2.268 20 0 FEADHO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000367253032 330236419 /nfs/dbraw/zinc/23/64/19/330236419.db2.gz STJQJPHUFOLCBR-VQTJNVASSA-N 1 3 364.578 2.268 20 0 FEADHO C[C@H]1CN(CCc2nc(-c3ccccc3)no2)CC[N@@H+]1C1CCN(C)CC1 ZINC000371455486 330243880 /nfs/dbraw/zinc/24/38/80/330243880.db2.gz DAXMJHBGHLQOBT-KRWDZBQOSA-N 1 3 369.513 2.379 20 0 FEADHO C[C@H]1CN(CCc2nc(-c3ccccc3)no2)CC[N@H+]1C1CCN(C)CC1 ZINC000371455486 330243881 /nfs/dbraw/zinc/24/38/81/330243881.db2.gz DAXMJHBGHLQOBT-KRWDZBQOSA-N 1 3 369.513 2.379 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000155594768 545546285 /nfs/dbraw/zinc/54/62/85/545546285.db2.gz KGOMKSXMGXFHFG-XJKSGUPXSA-N 1 3 370.900 2.470 20 0 FEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000477766621 561152806 /nfs/dbraw/zinc/15/28/06/561152806.db2.gz SSJKRLJSBZRTCV-QFBILLFUSA-N 1 3 361.530 2.426 20 0 FEADHO C[C@@H](CC(=O)NCc1ccc(CN2CCC(O)CC2)cc1)C1CC[NH2+]CC1 ZINC000167417043 546158780 /nfs/dbraw/zinc/15/87/80/546158780.db2.gz LBDCWRFSUVSJDA-KRWDZBQOSA-N 1 3 373.541 2.285 20 0 FEADHO COCCCN1CCC(NC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000171196244 546195295 /nfs/dbraw/zinc/19/52/95/546195295.db2.gz RPBLTUXEACECNO-QZTJIDSGSA-N 1 3 368.566 2.155 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000479335065 561187441 /nfs/dbraw/zinc/18/74/41/561187441.db2.gz KJDYFCFEFYIXBX-AEFFLSMTSA-N 1 3 362.518 2.251 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000479335065 561187442 /nfs/dbraw/zinc/18/74/42/561187442.db2.gz KJDYFCFEFYIXBX-AEFFLSMTSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@@H](NCC1(S(C)(=O)=O)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000479499238 561190819 /nfs/dbraw/zinc/19/08/19/561190819.db2.gz NSCRRXNFTOHPHK-OAHLLOKOSA-N 1 3 354.516 2.245 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000174243451 546294187 /nfs/dbraw/zinc/29/41/87/546294187.db2.gz KIQNDRDETSVKOD-OALUTQOASA-N 1 3 358.530 2.384 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000174243451 546294190 /nfs/dbraw/zinc/29/41/90/546294190.db2.gz KIQNDRDETSVKOD-OALUTQOASA-N 1 3 358.530 2.384 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000175734022 546341076 /nfs/dbraw/zinc/34/10/76/546341076.db2.gz HFXCWJNEUATWDJ-ZWKOTPCHSA-N 1 3 362.518 2.299 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000176331760 546433035 /nfs/dbraw/zinc/43/30/35/546433035.db2.gz VMVKTSQJWWQMTL-SFHVURJKSA-N 1 3 368.566 2.295 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000176331760 546433036 /nfs/dbraw/zinc/43/30/36/546433036.db2.gz VMVKTSQJWWQMTL-SFHVURJKSA-N 1 3 368.566 2.295 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2)CC1 ZINC000177049674 546532066 /nfs/dbraw/zinc/53/20/66/546532066.db2.gz CUZWTXBIZDBGDT-AEFFLSMTSA-N 1 3 356.514 2.184 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc2)CC1 ZINC000177049674 546532071 /nfs/dbraw/zinc/53/20/71/546532071.db2.gz CUZWTXBIZDBGDT-AEFFLSMTSA-N 1 3 356.514 2.184 20 0 FEADHO C[C@H]1CN(CCCC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[C@H](C)O1 ZINC000178034497 546727107 /nfs/dbraw/zinc/72/71/07/546727107.db2.gz JVHXJZDTMWYGGC-IRXDYDNUSA-N 1 3 363.502 2.363 20 0 FEADHO c1cn(C2CCN(CCOCC[NH+]3CCC(n4ccnc4)CC3)CC2)cn1 ZINC000178698011 546834364 /nfs/dbraw/zinc/83/43/64/546834364.db2.gz HHASMAIKBNDWDK-UHFFFAOYSA-N 1 3 372.517 2.070 20 0 FEADHO CN(C)[C@@]1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCSC1 ZINC000481777410 561241818 /nfs/dbraw/zinc/24/18/18/561241818.db2.gz JQDLOIJAGREDHU-FUHWJXTLSA-N 1 3 354.564 2.084 20 0 FEADHO CN(C)[C@@]1(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCSC1 ZINC000481800769 561242626 /nfs/dbraw/zinc/24/26/26/561242626.db2.gz LGGGHPZBLNFMJZ-FUHWJXTLSA-N 1 3 354.564 2.084 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc(N2CCCC2=O)c1 ZINC000482569310 561256227 /nfs/dbraw/zinc/25/62/27/561256227.db2.gz NFMFWWSYJZIJRH-SJLPKXTDSA-N 1 3 372.513 2.051 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C12CCC2 ZINC000181670148 547356549 /nfs/dbraw/zinc/35/65/49/547356549.db2.gz JESDISGODVTLGL-RBUKOAKNSA-N 1 3 359.514 2.415 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@@H]1CCCCO1 ZINC000182221306 547455585 /nfs/dbraw/zinc/45/55/85/547455585.db2.gz RIFBVBQFFAAROL-ROUUACIJSA-N 1 3 354.539 2.003 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@@H]1CCCCO1 ZINC000182221306 547455590 /nfs/dbraw/zinc/45/55/90/547455590.db2.gz RIFBVBQFFAAROL-ROUUACIJSA-N 1 3 354.539 2.003 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(CO)cc2)CC1 ZINC000182801168 547553722 /nfs/dbraw/zinc/55/37/22/547553722.db2.gz WVNZPHIBIFIGOW-UHFFFAOYSA-N 1 3 361.530 2.095 20 0 FEADHO C[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1nccs1 ZINC000183315468 547637192 /nfs/dbraw/zinc/63/71/92/547637192.db2.gz WLNFNBOOPOKILW-CQSZACIVSA-N 1 3 365.547 2.104 20 0 FEADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000184298440 547802337 /nfs/dbraw/zinc/80/23/37/547802337.db2.gz ZBCUXSCMZYTLFO-INIZCTEOSA-N 1 3 372.513 2.250 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H](CCO)C1CCCCC1)c1ccccc1 ZINC000184628534 547856803 /nfs/dbraw/zinc/85/68/03/547856803.db2.gz QVFMTCZLAMNLIX-WOJBJXKFSA-N 1 3 361.530 2.326 20 0 FEADHO CN(OCc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000185812725 548038329 /nfs/dbraw/zinc/03/83/29/548038329.db2.gz NTPFUIDIVKKFNW-UHFFFAOYSA-N 1 3 360.502 2.318 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000187023677 548243320 /nfs/dbraw/zinc/24/33/20/548243320.db2.gz SENWKWQJZIGIGG-WIYYLYMNSA-N 1 3 373.541 2.298 20 0 FEADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000193984556 548418415 /nfs/dbraw/zinc/41/84/15/548418415.db2.gz LMPPHMNRODQFBD-QHAWAJNXSA-N 1 3 355.526 2.481 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN1C1CCOCC1 ZINC000194750036 548526413 /nfs/dbraw/zinc/52/64/13/548526413.db2.gz CPTWYIDHQAXFPN-CTNGQTDRSA-N 1 3 371.525 2.268 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN1C1CCOCC1 ZINC000194750036 548526418 /nfs/dbraw/zinc/52/64/18/548526418.db2.gz CPTWYIDHQAXFPN-CTNGQTDRSA-N 1 3 371.525 2.268 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000195021945 548565250 /nfs/dbraw/zinc/56/52/50/548565250.db2.gz UYUFCKDMOZNVBB-HXUWFJFHSA-N 1 3 358.530 2.431 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000195021945 548565254 /nfs/dbraw/zinc/56/52/54/548565254.db2.gz UYUFCKDMOZNVBB-HXUWFJFHSA-N 1 3 358.530 2.431 20 0 FEADHO COC(=O)Nc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000195204703 548596386 /nfs/dbraw/zinc/59/63/86/548596386.db2.gz SPDOPYRGAOEMSI-UHFFFAOYSA-N 1 3 374.485 2.153 20 0 FEADHO CCN1CCN(Cc2ccc(CNC(=O)c3ccc(C[NH3+])cc3)cc2)CC1 ZINC000236960382 548791947 /nfs/dbraw/zinc/79/19/47/548791947.db2.gz IWMDWGXRFLEALT-UHFFFAOYSA-N 1 3 366.509 2.213 20 0 FEADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000237026394 548795305 /nfs/dbraw/zinc/79/53/05/548795305.db2.gz YSZIJQPBKYQJRS-ICSRJNTNSA-N 1 3 360.546 2.074 20 0 FEADHO COc1cc(CNC(=O)CCC2CC[NH2+]CC2)ccc1OCCN(C)C ZINC000237337824 548819555 /nfs/dbraw/zinc/81/95/55/548819555.db2.gz BVQALSWUXVAOPI-UHFFFAOYSA-N 1 3 363.502 2.032 20 0 FEADHO C[C@H](CC(=O)NCC1(N2CCSCC2)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000237609982 548838974 /nfs/dbraw/zinc/83/89/74/548838974.db2.gz MRIFNTIGNUJSPN-SJORKVTESA-N 1 3 353.576 2.490 20 0 FEADHO C[C@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)[C@@H]1C[NH3+] ZINC000237615792 548839447 /nfs/dbraw/zinc/83/94/47/548839447.db2.gz FEGPFFUZHCLUBA-AZUAARDMSA-N 1 3 358.530 2.175 20 0 FEADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000487813793 561376383 /nfs/dbraw/zinc/37/63/83/561376383.db2.gz VNNBUAMFBXAYOX-ZIFCJYIRSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488036583 561381766 /nfs/dbraw/zinc/38/17/66/561381766.db2.gz BCMLFQAVXVIBFM-HVMFNXBNSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488036583 561381767 /nfs/dbraw/zinc/38/17/67/561381767.db2.gz BCMLFQAVXVIBFM-HVMFNXBNSA-N 1 3 350.551 2.479 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000245659513 548969681 /nfs/dbraw/zinc/96/96/81/548969681.db2.gz CYNCLPORDGZCLB-ZHALLVOQSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000245659513 548969686 /nfs/dbraw/zinc/96/96/86/548969686.db2.gz CYNCLPORDGZCLB-ZHALLVOQSA-N 1 3 366.550 2.002 20 0 FEADHO C[N@H+](CC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@H]1CCCCNC1=O ZINC000245985971 549031035 /nfs/dbraw/zinc/03/10/35/549031035.db2.gz WDIAYIAECHXALF-VQTJNVASSA-N 1 3 359.514 2.033 20 0 FEADHO C[N@@H+](CC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@H]1CCCCNC1=O ZINC000245985971 549031040 /nfs/dbraw/zinc/03/10/40/549031040.db2.gz WDIAYIAECHXALF-VQTJNVASSA-N 1 3 359.514 2.033 20 0 FEADHO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@H]1CCCCNC1=O ZINC000245985971 549031043 /nfs/dbraw/zinc/03/10/43/549031043.db2.gz WDIAYIAECHXALF-VQTJNVASSA-N 1 3 359.514 2.033 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@H]2CCCN(C)C2)[C@@H](C)C1 ZINC000247083045 549279884 /nfs/dbraw/zinc/27/98/84/549279884.db2.gz DEHURSFVMPGEFM-FHWLQOOXSA-N 1 3 368.566 2.107 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)C[C@H]2CCCN(C)C2)[C@@H](C)C1 ZINC000247083045 549279887 /nfs/dbraw/zinc/27/98/87/549279887.db2.gz DEHURSFVMPGEFM-FHWLQOOXSA-N 1 3 368.566 2.107 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC2CCN(C3CC3)CC2)[C@@H](C)C1 ZINC000247211982 549299509 /nfs/dbraw/zinc/29/95/09/549299509.db2.gz MLRBZLGDYAQDKG-LPHOPBHVSA-N 1 3 366.550 2.049 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC2CCN(C3CC3)CC2)[C@@H](C)C1 ZINC000247211982 549299511 /nfs/dbraw/zinc/29/95/11/549299511.db2.gz MLRBZLGDYAQDKG-LPHOPBHVSA-N 1 3 366.550 2.049 20 0 FEADHO O=C(NC[C@H]1CCC[NH2+]1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000247323827 549318934 /nfs/dbraw/zinc/31/89/34/549318934.db2.gz SWUGOTSAPNPJDU-NVXWUHKLSA-N 1 3 355.404 2.309 20 0 FEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000247995190 549399406 /nfs/dbraw/zinc/39/94/06/549399406.db2.gz JVRHJNMZEHRYLF-XQBPLPMBSA-N 1 3 372.557 2.383 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000248396689 549428512 /nfs/dbraw/zinc/42/85/12/549428512.db2.gz KNIPTZBGYMJQEI-LFUKPOHLSA-N 1 3 359.514 2.028 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000248875752 549519211 /nfs/dbraw/zinc/51/92/11/549519211.db2.gz RAMJDTLWUFCCIN-UIFIKXQLSA-N 1 3 371.525 2.267 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000248875752 549519214 /nfs/dbraw/zinc/51/92/14/549519214.db2.gz RAMJDTLWUFCCIN-UIFIKXQLSA-N 1 3 371.525 2.267 20 0 FEADHO O=C1C[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CN1c1ccccc1Cl ZINC000261900560 549767965 /nfs/dbraw/zinc/76/79/65/549767965.db2.gz HQQRRVPSTOZCHQ-DIECFANBSA-N 1 3 363.889 2.192 20 0 FEADHO C[NH2+]CCC1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000262032685 549782273 /nfs/dbraw/zinc/78/22/73/549782273.db2.gz JZYQBDROBMQQMR-UHFFFAOYSA-N 1 3 358.530 2.047 20 0 FEADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H](N)C3CCOCC3)cc2)C1 ZINC000262077066 549786956 /nfs/dbraw/zinc/78/69/56/549786956.db2.gz SWGAXOYLTAPWMN-DNVCBOLYSA-N 1 3 361.486 2.100 20 0 FEADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H](N)C3CCOCC3)cc2)C1 ZINC000262077066 549786960 /nfs/dbraw/zinc/78/69/60/549786960.db2.gz SWGAXOYLTAPWMN-DNVCBOLYSA-N 1 3 361.486 2.100 20 0 FEADHO c1cc(COc2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc2)ccn1 ZINC000262113496 549789306 /nfs/dbraw/zinc/78/93/06/549789306.db2.gz KUUJVVNDZDRJFJ-FQEVSTJZSA-N 1 3 352.482 2.140 20 0 FEADHO CN(C)CCOc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1Cl ZINC000262342833 549812508 /nfs/dbraw/zinc/81/25/08/549812508.db2.gz HFZUVLLEJCOLIR-UHFFFAOYSA-N 1 3 368.890 2.490 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)CC2)C[C@H](C)O1 ZINC000262409583 549817660 /nfs/dbraw/zinc/81/76/60/549817660.db2.gz QKLSXGDJBLTGOD-ZDWTUXFCSA-N 1 3 363.546 2.114 20 0 FEADHO C[C@H](CC(=O)NCc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000262637314 549834308 /nfs/dbraw/zinc/83/43/08/549834308.db2.gz IIUGZVZOANRZRG-YLJYHZDGSA-N 1 3 373.541 2.285 20 0 FEADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C[C@H]1CSCCN1 ZINC000262735382 549844629 /nfs/dbraw/zinc/84/46/29/549844629.db2.gz CKTWUGJOKOOZOY-NUJGCVRESA-N 1 3 361.555 2.354 20 0 FEADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000263277983 549891511 /nfs/dbraw/zinc/89/15/11/549891511.db2.gz RAPSGGPVWWGFBE-NHCUHLMSSA-N 1 3 351.494 2.237 20 0 FEADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000263277983 549891514 /nfs/dbraw/zinc/89/15/14/549891514.db2.gz RAPSGGPVWWGFBE-NHCUHLMSSA-N 1 3 351.494 2.237 20 0 FEADHO COc1cccc([C@H](CNC(=O)NCC[N@H+](C)C2CC2)N2CCCC2)c1 ZINC000490877659 561439673 /nfs/dbraw/zinc/43/96/73/561439673.db2.gz WSJYQYOICRTROH-IBGZPJMESA-N 1 3 360.502 2.226 20 0 FEADHO COc1cccc([C@H](CNC(=O)NCC[N@@H+](C)C2CC2)N2CCCC2)c1 ZINC000490877659 561439674 /nfs/dbraw/zinc/43/96/74/561439674.db2.gz WSJYQYOICRTROH-IBGZPJMESA-N 1 3 360.502 2.226 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(N)cc3Cl)CC2)CC1 ZINC000269234288 550170659 /nfs/dbraw/zinc/17/06/59/550170659.db2.gz FVQSWUBCEMUQJI-UHFFFAOYSA-N 1 3 350.894 2.211 20 0 FEADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CNC[C@@H]3CCCO3)cc2)C1 ZINC000269277203 550175504 /nfs/dbraw/zinc/17/55/04/550175504.db2.gz XUDUTTLZTVGDIB-APWZRJJASA-N 1 3 361.486 2.114 20 0 FEADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CNC[C@@H]3CCCO3)cc2)C1 ZINC000269277203 550175506 /nfs/dbraw/zinc/17/55/06/550175506.db2.gz XUDUTTLZTVGDIB-APWZRJJASA-N 1 3 361.486 2.114 20 0 FEADHO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C1CCN(Cc2ccccc2)CC1 ZINC000269360334 550185502 /nfs/dbraw/zinc/18/55/02/550185502.db2.gz KJMKOYLPWPDHGU-NRFANRHFSA-N 1 3 373.541 2.252 20 0 FEADHO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)C1CCN(Cc2ccccc2)CC1 ZINC000269360334 550185507 /nfs/dbraw/zinc/18/55/07/550185507.db2.gz KJMKOYLPWPDHGU-NRFANRHFSA-N 1 3 373.541 2.252 20 0 FEADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCN3CCN(c4ccccc4)CC3)[C@H]2C1 ZINC000493469389 561456251 /nfs/dbraw/zinc/45/62/51/561456251.db2.gz ZKFWRHWDEILFJI-CTNGQTDRSA-N 1 3 370.541 2.141 20 0 FEADHO C[N@H+]1CC[C@@H]2CCN(C(=O)CCCN3CCN(c4ccccc4)CC3)[C@H]2C1 ZINC000493469389 561456252 /nfs/dbraw/zinc/45/62/52/561456252.db2.gz ZKFWRHWDEILFJI-CTNGQTDRSA-N 1 3 370.541 2.141 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270085077 550248063 /nfs/dbraw/zinc/24/80/63/550248063.db2.gz JFXBBKFYISWYBJ-SFHVURJKSA-N 1 3 359.514 2.431 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@]2(C)CCO[C@@H]2C)CC1 ZINC000494233267 561465221 /nfs/dbraw/zinc/46/52/21/561465221.db2.gz HHPIKYKJGSTYTQ-WIYYLYMNSA-N 1 3 359.514 2.186 20 0 FEADHO C[C@]1(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)CCCC[NH2+]1 ZINC000273001464 550480239 /nfs/dbraw/zinc/48/02/39/550480239.db2.gz SNADUDMTAZGROG-HXUWFJFHSA-N 1 3 363.477 2.317 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000494554759 561471573 /nfs/dbraw/zinc/47/15/73/561471573.db2.gz XYLIWSYRTZJTKD-OXQOHEQNSA-N 1 3 359.514 2.103 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC[N@H+]1C ZINC000494554759 561471574 /nfs/dbraw/zinc/47/15/74/561471574.db2.gz XYLIWSYRTZJTKD-OXQOHEQNSA-N 1 3 359.514 2.103 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000494685999 561474175 /nfs/dbraw/zinc/47/41/75/561474175.db2.gz AEGOXJZRZVTHJA-KSZLIROESA-N 1 3 366.550 2.144 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000494685999 561474176 /nfs/dbraw/zinc/47/41/76/561474176.db2.gz AEGOXJZRZVTHJA-KSZLIROESA-N 1 3 366.550 2.144 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000277920866 550729392 /nfs/dbraw/zinc/72/93/92/550729392.db2.gz ZNJJAGSIMSILTB-UHFFFAOYSA-N 1 3 374.529 2.301 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000277943426 550731509 /nfs/dbraw/zinc/73/15/09/550731509.db2.gz RXPFYVCFIHMTQK-IBGZPJMESA-N 1 3 358.530 2.333 20 0 FEADHO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000278057210 550744036 /nfs/dbraw/zinc/74/40/36/550744036.db2.gz YMLBLCGFFXQZKY-UWVAXJGDSA-N 1 3 359.514 2.170 20 0 FEADHO C[C@H]1CC[C@](CO)(N(C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000495238501 561485320 /nfs/dbraw/zinc/48/53/20/561485320.db2.gz HNUYURCXSYIHKF-AVRDEDQJSA-N 1 3 373.541 2.382 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)cc1 ZINC000280701044 551023226 /nfs/dbraw/zinc/02/32/26/551023226.db2.gz CIYSACZDRRSFJC-DENIHFKCSA-N 1 3 371.525 2.413 20 0 FEADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282357619 551216894 /nfs/dbraw/zinc/21/68/94/551216894.db2.gz PNQRVKWADLGUJA-CQSZACIVSA-N 1 3 367.925 2.068 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000284496539 551562232 /nfs/dbraw/zinc/56/22/32/551562232.db2.gz BZPHCJMSKRONCK-APWZRJJASA-N 1 3 362.518 2.329 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000284496539 551562234 /nfs/dbraw/zinc/56/22/34/551562234.db2.gz BZPHCJMSKRONCK-APWZRJJASA-N 1 3 362.518 2.329 20 0 FEADHO CCN1C[C@H](C)N(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000498573850 561529252 /nfs/dbraw/zinc/52/92/52/561529252.db2.gz VRUFQYDEAQEQKO-MOPGFXCFSA-N 1 3 358.530 2.140 20 0 FEADHO c1ccc(CN2CC[C@@H](N3CCN(CC[NH+]4CCCCC4)CC3)C2)cc1 ZINC000286221095 551862712 /nfs/dbraw/zinc/86/27/12/551862712.db2.gz YUCYLLREJHCOES-JOCHJYFZSA-N 1 3 356.558 2.364 20 0 FEADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286225662 551863263 /nfs/dbraw/zinc/86/32/63/551863263.db2.gz SOXWPKBRKMBSGQ-ZOCIIQOWSA-N 1 3 373.497 2.436 20 0 FEADHO CN(C)C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(F)cc1 ZINC000287611603 552025286 /nfs/dbraw/zinc/02/52/86/552025286.db2.gz MGGVKTPJVLHOCM-SJLPKXTDSA-N 1 3 368.522 2.165 20 0 FEADHO Cc1nn2c(C[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)c(C)nc2s1 ZINC000499676944 561555991 /nfs/dbraw/zinc/55/59/91/561555991.db2.gz FVGNZVDEFHDJBJ-CHWSQXEVSA-N 1 3 351.520 2.387 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000499764740 561557914 /nfs/dbraw/zinc/55/79/14/561557914.db2.gz CCGBHAGZVDKZND-IEBWSBKVSA-N 1 3 368.566 2.249 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000499764740 561557915 /nfs/dbraw/zinc/55/79/15/561557915.db2.gz CCGBHAGZVDKZND-IEBWSBKVSA-N 1 3 368.566 2.249 20 0 FEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000290063363 552421892 /nfs/dbraw/zinc/42/18/92/552421892.db2.gz HUVBLRLAZCCBGI-HBMCJLEFSA-N 1 3 373.541 2.182 20 0 FEADHO CN(C)S(=O)(=O)c1ccccc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000294328230 552897485 /nfs/dbraw/zinc/89/74/85/552897485.db2.gz XLCXRCPMZSCXJH-UHFFFAOYSA-N 1 3 374.510 2.091 20 0 FEADHO C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000296732158 553204195 /nfs/dbraw/zinc/20/41/95/553204195.db2.gz BWMMORCWZRWQGM-GOSISDBHSA-N 1 3 370.501 2.231 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)C12CCCCC2 ZINC000502845606 561627470 /nfs/dbraw/zinc/62/74/70/561627470.db2.gz WFQYOXFIBIGIJZ-RBUKOAKNSA-N 1 3 363.546 2.447 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296893078 553226169 /nfs/dbraw/zinc/22/61/69/553226169.db2.gz CZILNEHGFNFKQP-QFMLELGNSA-N 1 3 356.514 2.431 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296893078 553226171 /nfs/dbraw/zinc/22/61/71/553226171.db2.gz CZILNEHGFNFKQP-QFMLELGNSA-N 1 3 356.514 2.431 20 0 FEADHO O=C1[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CCCN1Cc1ccccn1 ZINC000297329904 553279115 /nfs/dbraw/zinc/27/91/15/553279115.db2.gz CRGLAUZWMZZFHK-HXUWFJFHSA-N 1 3 365.481 2.226 20 0 FEADHO C[C@@H]1CCN(C)CCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000503013687 561632300 /nfs/dbraw/zinc/63/23/00/561632300.db2.gz YMPICTRXLZVORA-QGZVFWFLSA-N 1 3 368.591 2.474 20 0 FEADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000298236064 553401984 /nfs/dbraw/zinc/40/19/84/553401984.db2.gz BVERRGIJKSBEQP-WOJBJXKFSA-N 1 3 374.573 2.275 20 0 FEADHO CN(CC[NH+]1CCCC1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000505388011 561670333 /nfs/dbraw/zinc/67/03/33/561670333.db2.gz OVQRRTRLPGRTIS-UHFFFAOYSA-N 1 3 374.529 2.397 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1=Cc2ccccc2OC1 ZINC000505801745 561681230 /nfs/dbraw/zinc/68/12/30/561681230.db2.gz LEPNRVBXRINFPC-IBGZPJMESA-N 1 3 357.498 2.337 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1=Cc2ccccc2OC1 ZINC000505801745 561681231 /nfs/dbraw/zinc/68/12/31/561681231.db2.gz LEPNRVBXRINFPC-IBGZPJMESA-N 1 3 357.498 2.337 20 0 FEADHO O=C(NCC[NH+]1CCCC1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506005493 561687173 /nfs/dbraw/zinc/68/71/73/561687173.db2.gz XNAORNCAEPBPSH-QGZVFWFLSA-N 1 3 351.441 2.356 20 0 FEADHO C[C@@H]1C[C@H](Nc2nc(N[C@H]3CCN(C)[C@@H](C)C3)ncc2Cl)CC[N@@H+]1C ZINC000330196371 554083079 /nfs/dbraw/zinc/08/30/79/554083079.db2.gz QCYOZULKCKTGEN-BARDWOONSA-N 1 3 366.941 2.919 20 0 FEADHO C[C@@H]1C[C@H](Nc2nc(N[C@H]3CCN(C)[C@@H](C)C3)ncc2Cl)CC[N@H+]1C ZINC000330196371 554083080 /nfs/dbraw/zinc/08/30/80/554083080.db2.gz QCYOZULKCKTGEN-BARDWOONSA-N 1 3 366.941 2.919 20 0 FEADHO [NH3+][C@H]1CCc2ncc(NC(=O)N3CCN(C4CCCCC4)CC3)cc2C1 ZINC000333245067 554593714 /nfs/dbraw/zinc/59/37/14/554593714.db2.gz BPGMWMNGYVMONO-INIZCTEOSA-N 1 3 357.502 2.380 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000333405230 554610254 /nfs/dbraw/zinc/61/02/54/554610254.db2.gz FPPWGCSHUPRJIS-GPMSIDNRSA-N 1 3 359.518 2.389 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000333405230 554610256 /nfs/dbraw/zinc/61/02/56/554610256.db2.gz FPPWGCSHUPRJIS-GPMSIDNRSA-N 1 3 359.518 2.389 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000333405236 554610338 /nfs/dbraw/zinc/61/03/38/554610338.db2.gz FPPWGCSHUPRJIS-MDZRGWNJSA-N 1 3 359.518 2.389 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000333405236 554610340 /nfs/dbraw/zinc/61/03/40/554610340.db2.gz FPPWGCSHUPRJIS-MDZRGWNJSA-N 1 3 359.518 2.389 20 0 FEADHO Cc1cccc(NC(=O)NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1C ZINC000333576000 554624857 /nfs/dbraw/zinc/62/48/57/554624857.db2.gz NCKLYNRVVODJMH-OAHLLOKOSA-N 1 3 358.486 2.416 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333616819 554628081 /nfs/dbraw/zinc/62/80/81/554628081.db2.gz RDZVKAQHZPXUQX-RTBURBONSA-N 1 3 371.529 2.329 20 0 FEADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC[C@H]3CCCN(Cc4cccs4)C3)C[C@@H]12 ZINC000333939220 554658503 /nfs/dbraw/zinc/65/85/03/554658503.db2.gz NBAWIJLJCDGTTP-JOCBIADPSA-N 1 3 362.543 2.339 20 0 FEADHO CC(C)(CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)N1CCc2ccccc2C1 ZINC000333946134 554659556 /nfs/dbraw/zinc/65/95/56/554659556.db2.gz UHWWGIHUWMUYSR-OTWHNJEPSA-N 1 3 356.514 2.202 20 0 FEADHO C[C@H](NC(=O)NC[C@]1(N(C)C)CCSC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511291650 561863990 /nfs/dbraw/zinc/86/39/90/561863990.db2.gz HUMIYBIZIVBOQR-FRQCXROJSA-N 1 3 368.591 2.376 20 0 FEADHO C[C@H](NC(=O)NC[C@]1(N(C)C)CCSC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511291650 561863992 /nfs/dbraw/zinc/86/39/92/561863992.db2.gz HUMIYBIZIVBOQR-FRQCXROJSA-N 1 3 368.591 2.376 20 0 FEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000360616986 554882259 /nfs/dbraw/zinc/88/22/59/554882259.db2.gz DVEIGYNGRDWEPM-UFYCRDLUSA-N 1 3 353.466 2.347 20 0 FEADHO C[C@H](CNC(=O)c1cnn(CCN2CCCCC2)c1)C[NH+]1CCCCC1 ZINC000363408175 555098293 /nfs/dbraw/zinc/09/82/93/555098293.db2.gz OACXJCCGLODRSX-GOSISDBHSA-N 1 3 361.534 2.221 20 0 FEADHO C[C@H](CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)C[NH+]1CCCC1 ZINC000364704237 555380109 /nfs/dbraw/zinc/38/01/09/555380109.db2.gz JISZZHAOJBIATB-HOJAQTOUSA-N 1 3 373.545 2.448 20 0 FEADHO C[C@@H](CC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)C1CC[NH2+]CC1 ZINC000366325947 555813022 /nfs/dbraw/zinc/81/30/22/555813022.db2.gz QBWAKOINLNBQIW-PKOBYXMFSA-N 1 3 358.530 2.436 20 0 FEADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000367527576 556074369 /nfs/dbraw/zinc/07/43/69/556074369.db2.gz PVSYJDAWPAJXFS-ROUUACIJSA-N 1 3 366.550 2.098 20 0 FEADHO CN1CCC[C@H]1CC[N@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000367527576 556074371 /nfs/dbraw/zinc/07/43/71/556074371.db2.gz PVSYJDAWPAJXFS-ROUUACIJSA-N 1 3 366.550 2.098 20 0 FEADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCCN3CCc4ccccc4C3)C[C@@H]21 ZINC000367591309 556091637 /nfs/dbraw/zinc/09/16/37/556091637.db2.gz WMOYAVZOOLKARB-QUCCMNQESA-N 1 3 356.514 2.170 20 0 FEADHO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCCN3CCc4ccccc4C3)C[C@@H]21 ZINC000367591309 556091641 /nfs/dbraw/zinc/09/16/41/556091641.db2.gz WMOYAVZOOLKARB-QUCCMNQESA-N 1 3 356.514 2.170 20 0 FEADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000367618169 556098270 /nfs/dbraw/zinc/09/82/70/556098270.db2.gz RVDHWCQBYCOYSE-WMZOPIPTSA-N 1 3 351.514 2.488 20 0 FEADHO CN1CCC[C@@H](CNC(=O)C2C[NH2+]C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000367823560 556148067 /nfs/dbraw/zinc/14/80/67/556148067.db2.gz VGLGFLDKCPEBTR-BBRMVZONSA-N 1 3 355.404 2.424 20 0 FEADHO Cc1c[nH+]ccc1N1CCC(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000368431640 556307098 /nfs/dbraw/zinc/30/70/98/556307098.db2.gz FLTGROTWMMPTKS-SFHVURJKSA-N 1 3 374.529 2.224 20 0 FEADHO CCC[NH+](CCC)CCCC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000369171337 556524466 /nfs/dbraw/zinc/52/44/66/556524466.db2.gz HVVFPOAFFYPFAK-UHFFFAOYSA-N 1 3 366.594 2.375 20 0 FEADHO CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000369310535 556570981 /nfs/dbraw/zinc/57/09/81/556570981.db2.gz RESKPQHYGVWGSP-FQEVSTJZSA-N 1 3 366.594 2.375 20 0 FEADHO CN(C[C@@H](O)C[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000516175068 562034102 /nfs/dbraw/zinc/03/41/02/562034102.db2.gz CJUBLKNCESCCNP-AEFFLSMTSA-N 1 3 371.447 2.324 20 0 FEADHO C[N@H+](C[C@@H](O)CN[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000516175068 562034103 /nfs/dbraw/zinc/03/41/03/562034103.db2.gz CJUBLKNCESCCNP-AEFFLSMTSA-N 1 3 371.447 2.324 20 0 FEADHO C[N@@H+](C[C@@H](O)CN[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000516175068 562034104 /nfs/dbraw/zinc/03/41/04/562034104.db2.gz CJUBLKNCESCCNP-AEFFLSMTSA-N 1 3 371.447 2.324 20 0 FEADHO CN(C[C@@H](O)C[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000516175071 562034118 /nfs/dbraw/zinc/03/41/18/562034118.db2.gz CJUBLKNCESCCNP-WMZOPIPTSA-N 1 3 371.447 2.324 20 0 FEADHO C[N@H+](C[C@@H](O)CN[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000516175071 562034119 /nfs/dbraw/zinc/03/41/19/562034119.db2.gz CJUBLKNCESCCNP-WMZOPIPTSA-N 1 3 371.447 2.324 20 0 FEADHO C[N@@H+](C[C@@H](O)CN[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000516175071 562034120 /nfs/dbraw/zinc/03/41/20/562034120.db2.gz CJUBLKNCESCCNP-WMZOPIPTSA-N 1 3 371.447 2.324 20 0 FEADHO CC(C)[NH+](CCNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)C(C)C ZINC000369612420 556648123 /nfs/dbraw/zinc/64/81/23/556648123.db2.gz HYVOAYMMQMIYKM-OALUTQOASA-N 1 3 361.534 2.492 20 0 FEADHO CN1CC[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]1c1cccnc1 ZINC000369815488 556702994 /nfs/dbraw/zinc/70/29/94/556702994.db2.gz ZWSZUYVRHINCNE-NSHGMRRFSA-N 1 3 371.529 2.391 20 0 FEADHO CN1CC[C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@@H]1c1cccnc1 ZINC000369815488 556702995 /nfs/dbraw/zinc/70/29/95/556702995.db2.gz ZWSZUYVRHINCNE-NSHGMRRFSA-N 1 3 371.529 2.391 20 0 FEADHO COc1ccccc1COC[C@@H](O)CNC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000516562902 562048243 /nfs/dbraw/zinc/04/82/43/562048243.db2.gz FIHBIQJBYNFUNF-HKUYNNGSSA-N 1 3 350.503 2.283 20 0 FEADHO COc1ccccc1COC[C@@H](O)CNC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000516562902 562048244 /nfs/dbraw/zinc/04/82/44/562048244.db2.gz FIHBIQJBYNFUNF-HKUYNNGSSA-N 1 3 350.503 2.283 20 0 FEADHO COc1ccccc1COC[C@@H](O)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000516562902 562048246 /nfs/dbraw/zinc/04/82/46/562048246.db2.gz FIHBIQJBYNFUNF-HKUYNNGSSA-N 1 3 350.503 2.283 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000370058643 556769786 /nfs/dbraw/zinc/76/97/86/556769786.db2.gz ZXPHUHHANQWBOH-GOSISDBHSA-N 1 3 366.550 2.192 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000370058643 556769789 /nfs/dbraw/zinc/76/97/89/556769789.db2.gz ZXPHUHHANQWBOH-GOSISDBHSA-N 1 3 366.550 2.192 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000370609887 556921015 /nfs/dbraw/zinc/92/10/15/556921015.db2.gz GCTCJXZWAFJCIS-UFYCRDLUSA-N 1 3 356.514 2.236 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000370609887 556921017 /nfs/dbraw/zinc/92/10/17/556921017.db2.gz GCTCJXZWAFJCIS-UFYCRDLUSA-N 1 3 356.514 2.236 20 0 FEADHO C(NC1CC[NH+](C2CCCCC2)CC1)[C@]1(N2CCOCC2)CCCOC1 ZINC000370662835 556934258 /nfs/dbraw/zinc/93/42/58/556934258.db2.gz OWPSMFCZUOLAAM-OAQYLSRUSA-N 1 3 365.562 2.255 20 0 FEADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@]1(N2CCOCC2)CCCOC1 ZINC000370662835 556934263 /nfs/dbraw/zinc/93/42/63/556934263.db2.gz OWPSMFCZUOLAAM-OAQYLSRUSA-N 1 3 365.562 2.255 20 0 FEADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000516916073 562064633 /nfs/dbraw/zinc/06/46/33/562064633.db2.gz OGMZDNGJQGNZDV-NRFANRHFSA-N 1 3 372.513 2.056 20 0 FEADHO C[C@H](C[C@@H](C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)NC(=O)OC(C)(C)C ZINC000371336676 557151973 /nfs/dbraw/zinc/15/19/73/557151973.db2.gz QIDVJLTZRNWGPF-BRWVUGGUSA-N 1 3 368.566 2.436 20 0 FEADHO CCc1oc(C(=O)OC)cc1CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371424507 557182861 /nfs/dbraw/zinc/18/28/61/557182861.db2.gz OJGUUOFJLDNLQD-QGZVFWFLSA-N 1 3 363.502 2.229 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)c1 ZINC000371506793 557204560 /nfs/dbraw/zinc/20/45/60/557204560.db2.gz VGWOAGRSNSEHNQ-HKUYNNGSSA-N 1 3 372.513 2.020 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000372193733 557405492 /nfs/dbraw/zinc/40/54/92/557405492.db2.gz XXSKSNAGPBEVEX-HKUYNNGSSA-N 1 3 351.535 2.114 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000372193733 557405496 /nfs/dbraw/zinc/40/54/96/557405496.db2.gz XXSKSNAGPBEVEX-HKUYNNGSSA-N 1 3 351.535 2.114 20 0 FEADHO CN1CC[C@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@H]1c1cccs1 ZINC000372321759 557439046 /nfs/dbraw/zinc/43/90/46/557439046.db2.gz SYYCMZWMCUPCFU-UXLLHSPISA-N 1 3 350.532 2.334 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000372824843 557569750 /nfs/dbraw/zinc/56/97/50/557569750.db2.gz UDUGNOUDZFCLTL-LJQANCHMSA-N 1 3 366.550 2.003 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000372824843 557569754 /nfs/dbraw/zinc/56/97/54/557569754.db2.gz UDUGNOUDZFCLTL-LJQANCHMSA-N 1 3 366.550 2.003 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1ccccc1 ZINC000373346964 557677079 /nfs/dbraw/zinc/67/70/79/557677079.db2.gz SKMTVWBOVUQKKQ-IPQPSQTFSA-N 1 3 357.498 2.000 20 0 FEADHO C[C@H](CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)[N@H+](C)Cc1ccccc1 ZINC000373435070 557692822 /nfs/dbraw/zinc/69/28/22/557692822.db2.gz JVVDQGGOERBMFB-LAVAIGHBSA-N 1 3 359.514 2.156 20 0 FEADHO C[C@H](CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000373435070 557692824 /nfs/dbraw/zinc/69/28/24/557692824.db2.gz JVVDQGGOERBMFB-LAVAIGHBSA-N 1 3 359.514 2.156 20 0 FEADHO C[N@@H+]1CCC[C@H]1CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373446122 557695104 /nfs/dbraw/zinc/69/51/04/557695104.db2.gz UPJNFVRYZFKYSJ-SLTAFYQDSA-N 1 3 362.440 2.185 20 0 FEADHO C[N@H+]1CCC[C@H]1CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373446122 557695105 /nfs/dbraw/zinc/69/51/05/557695105.db2.gz UPJNFVRYZFKYSJ-SLTAFYQDSA-N 1 3 362.440 2.185 20 0 FEADHO CC[N@@H+](C)CCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373457448 557697484 /nfs/dbraw/zinc/69/74/84/557697484.db2.gz YTOBIDUPKBSOLO-UHFFFAOYSA-N 1 3 350.429 2.043 20 0 FEADHO CC[N@H+](C)CCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373457448 557697483 /nfs/dbraw/zinc/69/74/83/557697483.db2.gz YTOBIDUPKBSOLO-UHFFFAOYSA-N 1 3 350.429 2.043 20 0 FEADHO Cn1cc([C@@H](N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc2)cn1 ZINC000374231421 557847840 /nfs/dbraw/zinc/84/78/40/557847840.db2.gz QYHYCYPJVRCCAI-CTNGQTDRSA-N 1 3 353.514 2.268 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC000374628754 557908904 /nfs/dbraw/zinc/90/89/04/557908904.db2.gz ZJQXWELOAFEPAP-YSIASYRMSA-N 1 3 356.514 2.028 20 0 FEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2OCC[C@H]2C1 ZINC000376049002 558119416 /nfs/dbraw/zinc/11/94/16/558119416.db2.gz WXRPFFLTKVOPDQ-HFSMHLIXSA-N 1 3 371.525 2.267 20 0 FEADHO C[C@H](CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)[N@@H+]1CCC[C@H](C)C1 ZINC000376071824 558122758 /nfs/dbraw/zinc/12/27/58/558122758.db2.gz YLGAOJPHTQGNHU-HNJRGHQBSA-N 1 3 373.545 2.494 20 0 FEADHO C[C@H](CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)[N@H+]1CCC[C@H](C)C1 ZINC000376071824 558122760 /nfs/dbraw/zinc/12/27/60/558122760.db2.gz YLGAOJPHTQGNHU-HNJRGHQBSA-N 1 3 373.545 2.494 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CCC([NH2+]C3CCCC3)CC2)ccn1 ZINC000376269161 558150232 /nfs/dbraw/zinc/15/02/32/558150232.db2.gz HAZXKNYRJSWWFU-UHFFFAOYSA-N 1 3 360.502 2.159 20 0 FEADHO COc1ccc(OCCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000378320490 558529274 /nfs/dbraw/zinc/52/92/74/558529274.db2.gz PSKCBQSQVFQMFN-RXVVDRJESA-N 1 3 361.530 2.422 20 0 FEADHO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000378497831 558569970 /nfs/dbraw/zinc/56/99/70/558569970.db2.gz RPTWDKRSGMOXJI-DSKINZAPSA-N 1 3 371.525 2.267 20 0 FEADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000391027038 558613332 /nfs/dbraw/zinc/61/33/32/558613332.db2.gz SXSPOGBZGRDBFL-CGXNFDGLSA-N 1 3 371.525 2.314 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000410406679 558755522 /nfs/dbraw/zinc/75/55/22/558755522.db2.gz IGOPXDPZHCEEBE-ZWKOTPCHSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000410406679 558755525 /nfs/dbraw/zinc/75/55/25/558755525.db2.gz IGOPXDPZHCEEBE-ZWKOTPCHSA-N 1 3 360.502 2.053 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)C[C@@H]1C ZINC000411296670 558870952 /nfs/dbraw/zinc/87/09/52/558870952.db2.gz KWJHNTIFKRJDJJ-LPHOPBHVSA-N 1 3 374.529 2.326 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)C[C@@H]1C ZINC000411296670 558870953 /nfs/dbraw/zinc/87/09/53/558870953.db2.gz KWJHNTIFKRJDJJ-LPHOPBHVSA-N 1 3 374.529 2.326 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccccc1OC1CCC1 ZINC000525439142 562248232 /nfs/dbraw/zinc/24/82/32/562248232.db2.gz CZCMORGGGFXQMI-UHFFFAOYSA-N 1 3 362.518 2.253 20 0 FEADHO Cc1cc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)ccc1C[NH+](C)C ZINC000411397086 558887451 /nfs/dbraw/zinc/88/74/51/558887451.db2.gz GUMFBSZVPAANCT-IBGZPJMESA-N 1 3 372.513 2.082 20 0 FEADHO CN(CCC(=O)Nc1cc(F)cc(F)c1)CC[N@H+](C)C1CCN(C)CC1 ZINC000411405514 558889017 /nfs/dbraw/zinc/88/90/17/558889017.db2.gz CUYKTMTYRBIJFW-UHFFFAOYSA-N 1 3 368.472 2.251 20 0 FEADHO CN(CCC(=O)Nc1cc(F)cc(F)c1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000411405514 558889018 /nfs/dbraw/zinc/88/90/18/558889018.db2.gz CUYKTMTYRBIJFW-UHFFFAOYSA-N 1 3 368.472 2.251 20 0 FEADHO COC(=O)C[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000411517687 558909429 /nfs/dbraw/zinc/90/94/29/558909429.db2.gz NIKHRNOKYBTCTN-SFHVURJKSA-N 1 3 367.534 2.077 20 0 FEADHO O=C(NC[C@@H]1CCCCN1C1CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412294421 559025496 /nfs/dbraw/zinc/02/54/96/559025496.db2.gz ROSFZISSBQPWSL-ZWKOTPCHSA-N 1 3 351.560 2.337 20 0 FEADHO O=C(NC[C@@H]1CCCCN1CCO)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412377713 559031999 /nfs/dbraw/zinc/03/19/99/559031999.db2.gz SQLLUMJUPORTJY-FQEVSTJZSA-N 1 3 359.514 2.249 20 0 FEADHO COc1ccc(C[C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414201579 559152787 /nfs/dbraw/zinc/15/27/87/559152787.db2.gz SQKMGQFGGVBHAE-GOSISDBHSA-N 1 3 361.530 2.012 20 0 FEADHO C[C@@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc(F)cc(F)c1 ZINC000414479035 559167874 /nfs/dbraw/zinc/16/78/74/559167874.db2.gz GUHDEWHDPPMYAU-INIZCTEOSA-N 1 3 367.484 2.455 20 0 FEADHO CN1CCC(C[NH2+]Cc2cc3cc(F)ccc3o2)(N2CCOCC2)CC1 ZINC000414490398 559168110 /nfs/dbraw/zinc/16/81/10/559168110.db2.gz XGFWDYGLNGKRHY-UHFFFAOYSA-N 1 3 361.461 2.458 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)C1 ZINC000414695004 559180250 /nfs/dbraw/zinc/18/02/50/559180250.db2.gz OLGZPDPIRPFNCN-PKOBYXMFSA-N 1 3 363.477 2.004 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)C1 ZINC000414695004 559180251 /nfs/dbraw/zinc/18/02/51/559180251.db2.gz OLGZPDPIRPFNCN-PKOBYXMFSA-N 1 3 363.477 2.004 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)cc1 ZINC000414737556 559183390 /nfs/dbraw/zinc/18/33/90/559183390.db2.gz HHWPKTVKVUWEGW-HUUCEWRRSA-N 1 3 360.502 2.272 20 0 FEADHO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414739263 559183664 /nfs/dbraw/zinc/18/36/64/559183664.db2.gz CAYTZZFFRGOKJP-CQSZACIVSA-N 1 3 359.392 2.214 20 0 FEADHO C[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414739263 559183665 /nfs/dbraw/zinc/18/36/65/559183665.db2.gz CAYTZZFFRGOKJP-CQSZACIVSA-N 1 3 359.392 2.214 20 0 FEADHO C[C@@H]1C[C@H](CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414745500 559184277 /nfs/dbraw/zinc/18/42/77/559184277.db2.gz KQTHGNXQLARGTE-HZPDHXFCSA-N 1 3 365.905 2.251 20 0 FEADHO COc1ccc(CCC(=O)N2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000414754317 559185143 /nfs/dbraw/zinc/18/51/43/559185143.db2.gz XOBSBSLBESAZQU-HKUYNNGSSA-N 1 3 359.514 2.160 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000414754615 559185242 /nfs/dbraw/zinc/18/52/42/559185242.db2.gz NYASQCALFFQIOP-BRWVUGGUSA-N 1 3 374.529 2.217 20 0 FEADHO COCCOc1cc2c(cc1CN1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)OCO2 ZINC000414785276 559187310 /nfs/dbraw/zinc/18/73/10/559187310.db2.gz SGGIZVRXXLBMJG-JKSUJKDBSA-N 1 3 362.470 2.262 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1 ZINC000414823893 559189784 /nfs/dbraw/zinc/18/97/84/559189784.db2.gz PPHRULOLABUDBT-JKSUJKDBSA-N 1 3 368.481 2.282 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCCC[C@@H]1CC ZINC000414835431 559190220 /nfs/dbraw/zinc/19/02/20/559190220.db2.gz RTRYYZKLZAZPJO-KRWDZBQOSA-N 1 3 360.502 2.115 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)cc1 ZINC000414896864 559193777 /nfs/dbraw/zinc/19/37/77/559193777.db2.gz AMGPMASPOHYMES-KDOFPFPSSA-N 1 3 358.486 2.026 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)c1 ZINC000414902001 559194121 /nfs/dbraw/zinc/19/41/21/559194121.db2.gz JHUJOHKLEPKZAL-IBGZPJMESA-N 1 3 372.513 2.115 20 0 FEADHO CCOc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1OC ZINC000414967430 559197730 /nfs/dbraw/zinc/19/77/30/559197730.db2.gz FCVUDCZQZIIANI-MRXNPFEDSA-N 1 3 361.408 2.020 20 0 FEADHO FC(F)(F)[C@@H](CNCc1ccc(OCC2CC2)cc1)N1CC[NH2+]CC1 ZINC000414975573 559198121 /nfs/dbraw/zinc/19/81/21/559198121.db2.gz OUGCLNGOIWBRTA-QGZVFWFLSA-N 1 3 357.420 2.401 20 0 FEADHO CC(C)COc1cccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000414994798 559199462 /nfs/dbraw/zinc/19/94/62/559199462.db2.gz VKBOSFADQOGLSA-CTNGQTDRSA-N 1 3 359.514 2.458 20 0 FEADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CNCCCO1 ZINC000415038980 559201929 /nfs/dbraw/zinc/20/19/29/559201929.db2.gz MUIGYHVQZMKSSK-STQMWFEESA-N 1 3 359.392 2.391 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH2+]Cc2cccnc2Oc2cccc(F)c2)C1 ZINC000415074040 559203950 /nfs/dbraw/zinc/20/39/50/559203950.db2.gz BTUPBJRNMCVGCP-HNNXBMFYSA-N 1 3 372.444 2.300 20 0 FEADHO O=C1N[C@H]2CN(C[C@@H]3C[C@H]3c3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415136895 559207636 /nfs/dbraw/zinc/20/76/36/559207636.db2.gz ICIPNTFHIFFJBF-LEAZDLGRSA-N 1 3 354.498 2.010 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415172268 559211811 /nfs/dbraw/zinc/21/18/11/559211811.db2.gz SMQDMZNDNAWYHI-QFBILLFUSA-N 1 3 372.513 2.245 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccsc2)cc1 ZINC000415279480 559220650 /nfs/dbraw/zinc/22/06/50/559220650.db2.gz HSIGIXVRWCLMHT-AWEZNQCLSA-N 1 3 374.510 2.297 20 0 FEADHO CCCC[C@H](CN)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415500139 559244029 /nfs/dbraw/zinc/24/40/29/559244029.db2.gz PPNDZGXZDDUHEU-QFBILLFUSA-N 1 3 374.529 2.491 20 0 FEADHO CCCC[C@H](CN)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415500139 559244030 /nfs/dbraw/zinc/24/40/30/559244030.db2.gz PPNDZGXZDDUHEU-QFBILLFUSA-N 1 3 374.529 2.491 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000415681157 559261319 /nfs/dbraw/zinc/26/13/19/559261319.db2.gz VZEQWEDTFJJEFL-SFHVURJKSA-N 1 3 374.529 2.361 20 0 FEADHO O=C(Nc1ccc2c(c1)CNC2)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000415996126 559287991 /nfs/dbraw/zinc/28/79/91/559287991.db2.gz MHLRSTCZWCTAPN-RBUKOAKNSA-N 1 3 358.486 2.179 20 0 FEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc2c(s1)CCC2 ZINC000416146285 559294471 /nfs/dbraw/zinc/29/44/71/559294471.db2.gz OKLSLMVVQGTCSM-CQSZACIVSA-N 1 3 350.532 2.120 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NC2CCC([NH3+])CC2)N2CCCC2)cc1 ZINC000416811147 559333369 /nfs/dbraw/zinc/33/33/69/559333369.db2.gz COAKUNIFXLAZMA-FAFZWHIHSA-N 1 3 360.502 2.401 20 0 FEADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)N2CCCC2)c1 ZINC000416840963 559334599 /nfs/dbraw/zinc/33/45/99/559334599.db2.gz GMBRCBNCZFCVDJ-WDYCEAGBSA-N 1 3 360.502 2.259 20 0 FEADHO COc1cccc([C@H](CNC(=O)NC[C@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000416840524 559334651 /nfs/dbraw/zinc/33/46/51/559334651.db2.gz FQYNJTIPINXMDG-LPHOPBHVSA-N 1 3 360.502 2.131 20 0 FEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CNCCC1(F)F ZINC000416965201 559340670 /nfs/dbraw/zinc/34/06/70/559340670.db2.gz CYMOLXMSTAFSJC-MRXNPFEDSA-N 1 3 354.445 2.323 20 0 FEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CNCCC1(F)F ZINC000416965201 559340671 /nfs/dbraw/zinc/34/06/71/559340671.db2.gz CYMOLXMSTAFSJC-MRXNPFEDSA-N 1 3 354.445 2.323 20 0 FEADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000417106024 559348002 /nfs/dbraw/zinc/34/80/02/559348002.db2.gz GVXVXLLDIXQCAT-LJQANCHMSA-N 1 3 356.514 2.436 20 0 FEADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417120458 559348885 /nfs/dbraw/zinc/34/88/85/559348885.db2.gz VHLVFGVNEGRHJS-HZPDHXFCSA-N 1 3 354.564 2.165 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417176079 559351468 /nfs/dbraw/zinc/35/14/68/559351468.db2.gz BTRWIEBYQZCXRZ-VQTJNVASSA-N 1 3 358.530 2.190 20 0 FEADHO CN(CCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)Cc1ccccc1 ZINC000417232725 559354135 /nfs/dbraw/zinc/35/41/35/559354135.db2.gz QJJMGGAPFAQNTH-VQTJNVASSA-N 1 3 352.482 2.173 20 0 FEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCNCc1cccnc1 ZINC000417256204 559355068 /nfs/dbraw/zinc/35/50/68/559355068.db2.gz RPQUTDGLSOXLGT-FGTMMUONSA-N 1 3 361.534 2.227 20 0 FEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCNCc1cccnc1 ZINC000417256204 559355069 /nfs/dbraw/zinc/35/50/69/559355069.db2.gz RPQUTDGLSOXLGT-FGTMMUONSA-N 1 3 361.534 2.227 20 0 FEADHO C[NH2+][C@H]1CCCN(C(=O)NCC2CCN(Cc3ccc(OC)cc3)CC2)C1 ZINC000417331558 559358007 /nfs/dbraw/zinc/35/80/07/559358007.db2.gz MIZAZPOWSJNPNU-IBGZPJMESA-N 1 3 374.529 2.301 20 0 FEADHO O=C(NCCC1=CC[NH2+]CC1)NCc1ccc(OCCN2CCCC2)cc1 ZINC000417585753 559367883 /nfs/dbraw/zinc/36/78/83/559367883.db2.gz BKURNNYJVHAJDS-UHFFFAOYSA-N 1 3 372.513 2.270 20 0 FEADHO C[C@]1(CNC(=O)NCc2ccc(OCCN3CCCC3)cc2)CCC[NH2+]C1 ZINC000417596072 559368760 /nfs/dbraw/zinc/36/87/60/559368760.db2.gz PIRHXKNZZJWEER-NRFANRHFSA-N 1 3 374.529 2.350 20 0 FEADHO O=C(NCC[C@@H]1CCC[NH2+]C1)NCc1ccc(OCCN2CCCC2)cc1 ZINC000417598105 559368881 /nfs/dbraw/zinc/36/88/81/559368881.db2.gz XGFPTLHYCDZNJP-SFHVURJKSA-N 1 3 374.529 2.350 20 0 FEADHO COc1cc(NC(=O)N[C@@H]2CCCN(C)[C@H]2C)ccc1OCC[NH+](C)C ZINC000417689037 559372552 /nfs/dbraw/zinc/37/25/52/559372552.db2.gz SOSSERGOUAPJDH-GOEBONIOSA-N 1 3 364.490 2.240 20 0 FEADHO CCC(CC)(CNC(=O)N1CCOC2(CNC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000417704795 559373326 /nfs/dbraw/zinc/37/33/26/559373326.db2.gz MVODLKZPJYXUHY-QGZVFWFLSA-N 1 3 374.529 2.280 20 0 FEADHO CCC(CC)(CNC(=O)NC[C@@H]1CNCCO1)[NH2+][C@@H](C)c1ccccc1 ZINC000417707289 559373474 /nfs/dbraw/zinc/37/34/74/559373474.db2.gz QFQPLLPQHNMNQY-WMZOPIPTSA-N 1 3 362.518 2.184 20 0 FEADHO COCCCN(C)CCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417752993 559375312 /nfs/dbraw/zinc/37/53/12/559375312.db2.gz NQZGRRGIVZDLFA-LJQANCHMSA-N 1 3 358.486 2.107 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417833170 559378311 /nfs/dbraw/zinc/37/83/11/559378311.db2.gz UGYRZEFBHBQVDZ-MDNKFWRPSA-N 1 3 356.514 2.148 20 0 FEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418033794 559387178 /nfs/dbraw/zinc/38/71/78/559387178.db2.gz NVFOEGQXBKHZLG-HOTGVXAUSA-N 1 3 356.461 2.425 20 0 FEADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000418101686 559390084 /nfs/dbraw/zinc/39/00/84/559390084.db2.gz GHAJQMGDTPDDGK-SIWZUTFBSA-N 1 3 374.451 2.328 20 0 FEADHO CC(C)C[C@H](C[NH3+])NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418100551 559390117 /nfs/dbraw/zinc/39/01/17/559390117.db2.gz DQGPDHNZDFGTDH-SHARSMKWSA-N 1 3 364.456 2.464 20 0 FEADHO CN(CC(C)(C)C[NH3+])C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418101723 559390182 /nfs/dbraw/zinc/39/01/82/559390182.db2.gz GMWXCHQLQPTPPT-UHFFFAOYSA-N 1 3 364.456 2.418 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)C1CC1 ZINC000418141454 559391623 /nfs/dbraw/zinc/39/16/23/559391623.db2.gz LDABUAWXOBJQDP-HZPDHXFCSA-N 1 3 354.445 2.179 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000418145553 559391742 /nfs/dbraw/zinc/39/17/42/559391742.db2.gz OJCCMVWSMYUQMD-VAMGGRTRSA-N 1 3 356.514 2.148 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)N3CC[C@](C)(C[NH3+])C3)cc2)CC1 ZINC000418164711 559392673 /nfs/dbraw/zinc/39/26/73/559392673.db2.gz HZOFLOBUQNLERC-HXUWFJFHSA-N 1 3 360.502 2.040 20 0 FEADHO C[NH2+]CCCNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418275927 559396262 /nfs/dbraw/zinc/39/62/62/559396262.db2.gz DOMJYPXUAKFMGF-UHFFFAOYSA-N 1 3 360.424 2.388 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCC[NH2+]C3CC3)CC2)C[C@H](C)O1 ZINC000418286313 559396375 /nfs/dbraw/zinc/39/63/75/559396375.db2.gz RELWGYIOLSNLDN-CALCHBBNSA-N 1 3 366.550 2.049 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418324726 559397608 /nfs/dbraw/zinc/39/76/08/559397608.db2.gz WHJJOHZIAJGSCC-CQSZACIVSA-N 1 3 354.445 2.038 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418551697 559405867 /nfs/dbraw/zinc/40/58/67/559405867.db2.gz BMMPUXHWIJXAJP-QUCCMNQESA-N 1 3 358.530 2.335 20 0 FEADHO C[C@@H]1CCN(C)CCN1C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418562884 559406346 /nfs/dbraw/zinc/40/63/46/559406346.db2.gz GZSCQZOOHWLOSE-SIIHOXLZSA-N 1 3 366.456 2.146 20 0 FEADHO CCc1ccccc1[C@H](N)CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418646816 559409397 /nfs/dbraw/zinc/40/93/97/559409397.db2.gz FUIPXDDVRPPGQP-HXUWFJFHSA-N 1 3 354.498 2.462 20 0 FEADHO [NH3+]CCC[C@H](NC(=O)N1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC000418683850 559411063 /nfs/dbraw/zinc/41/10/63/559411063.db2.gz XNJZOGBRFBYWNN-FQEVSTJZSA-N 1 3 374.529 2.220 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000418745365 559413621 /nfs/dbraw/zinc/41/36/21/559413621.db2.gz GQIFZFMBABYOQJ-OWCLPIDISA-N 1 3 358.477 2.280 20 0 FEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000418745365 559413622 /nfs/dbraw/zinc/41/36/22/559413622.db2.gz GQIFZFMBABYOQJ-OWCLPIDISA-N 1 3 358.477 2.280 20 0 FEADHO COc1ccc([C@@H](C[NH3+])CN2CCNC[C@@H]2c2ccccc2OC)cc1 ZINC000420318453 559480058 /nfs/dbraw/zinc/48/00/58/559480058.db2.gz WEPKMIYZOQXCEM-FXAWDEMLSA-N 1 3 355.482 2.393 20 0 FEADHO CN(CCCOc1ccccc1)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321946 559480260 /nfs/dbraw/zinc/48/02/60/559480260.db2.gz DHUYAEYDAMTYLD-MOPGFXCFSA-N 1 3 359.514 2.235 20 0 FEADHO CC(C)Oc1cccc(CNC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420325487 559480476 /nfs/dbraw/zinc/48/04/76/559480476.db2.gz IMXTYWFSZUHQIN-MOPGFXCFSA-N 1 3 359.514 2.412 20 0 FEADHO Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000420334047 559481532 /nfs/dbraw/zinc/48/15/32/559481532.db2.gz KYBCTCQDDSWGKA-ZACQAIPSSA-N 1 3 358.486 2.271 20 0 FEADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420344935 559482049 /nfs/dbraw/zinc/48/20/49/559482049.db2.gz VBUQDNAVSFHNJZ-DLBZAZTESA-N 1 3 358.486 2.273 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3cc(C(=O)OC)c(C)o3)CC2)CC1 ZINC000421009772 559519029 /nfs/dbraw/zinc/51/90/29/559519029.db2.gz NSDXFJJWPQOHHH-UHFFFAOYSA-N 1 3 363.502 2.367 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(Cc3cc(C(=O)OC)c(C)o3)CC2)CC1 ZINC000421009772 559519030 /nfs/dbraw/zinc/51/90/30/559519030.db2.gz NSDXFJJWPQOHHH-UHFFFAOYSA-N 1 3 363.502 2.367 20 0 FEADHO CCN1CCC([N@H+]2CCCN(Cc3cc(C(=O)OC)c(C)o3)CC2)CC1 ZINC000421009772 559519031 /nfs/dbraw/zinc/51/90/31/559519031.db2.gz NSDXFJJWPQOHHH-UHFFFAOYSA-N 1 3 363.502 2.367 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1N ZINC000422737386 559604938 /nfs/dbraw/zinc/60/49/38/559604938.db2.gz HVKHKUPYZRHRPD-ROUUACIJSA-N 1 3 353.532 2.264 20 0 FEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000422758289 559605811 /nfs/dbraw/zinc/60/58/11/559605811.db2.gz JHVKTPSXNQMBPM-DLBZAZTESA-N 1 3 368.529 2.105 20 0 FEADHO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N2CCOCC2)o1 ZINC000422799645 559606982 /nfs/dbraw/zinc/60/69/82/559606982.db2.gz XURDTPXGPNBOEU-BEFAXECRSA-N 1 3 358.486 2.474 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422902282 559610528 /nfs/dbraw/zinc/61/05/28/559610528.db2.gz MQEUWODXAAEBBI-QZTJIDSGSA-N 1 3 353.532 2.122 20 0 FEADHO O=C(CCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422959699 559613147 /nfs/dbraw/zinc/61/31/47/559613147.db2.gz TZHJMLDVSZVYMA-CEXWTWQISA-N 1 3 357.498 2.103 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2cccc3c2OCCCO3)CC[NH2+]CC1 ZINC000422995776 559614447 /nfs/dbraw/zinc/61/44/47/559614447.db2.gz ZCFZSBAFFPLWOI-OAHLLOKOSA-N 1 3 362.470 2.259 20 0 FEADHO CCOC(=O)C1([C@@H](C)N[C@H](CCO)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000423011073 559615011 /nfs/dbraw/zinc/61/50/11/559615011.db2.gz YWCKVNNPKAGFOM-CRAIPNDOSA-N 1 3 364.486 2.030 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2cccnc2OCC(F)F)CC[NH2+]CC1 ZINC000423030262 559615782 /nfs/dbraw/zinc/61/57/82/559615782.db2.gz VVLXBSULSFWJPM-CYBMUJFWSA-N 1 3 371.428 2.137 20 0 FEADHO COC[C@@H](CCC[NH3+])N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000423054015 559616858 /nfs/dbraw/zinc/61/68/58/559616858.db2.gz TZTRHIRWXNULPX-HUUCEWRRSA-N 1 3 373.419 2.150 20 0 FEADHO COC[C@@H](CCC[NH3+])N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423067276 559617207 /nfs/dbraw/zinc/61/72/07/559617207.db2.gz GTHQFVPFIDGQSC-OCCSQVGLSA-N 1 3 360.285 2.442 20 0 FEADHO Brc1ccc2c(c1)[C@@H](NCCN1CC[NH2+]CC1)CCS2 ZINC000423209069 559622748 /nfs/dbraw/zinc/62/27/48/559622748.db2.gz UOCCDZWJZSLYME-AWEZNQCLSA-N 1 3 356.333 2.481 20 0 FEADHO O=C(C[C@@H]1CSCC[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000423741180 559637807 /nfs/dbraw/zinc/63/78/07/559637807.db2.gz HDKMOYDNDOLWPR-LJQANCHMSA-N 1 3 361.555 2.249 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cc2)CC1 ZINC000424079061 559654058 /nfs/dbraw/zinc/65/40/58/559654058.db2.gz TZUWVKDFWLJUSJ-LMMKCTJWSA-N 1 3 358.530 2.274 20 0 FEADHO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)c(OC)c1 ZINC000424289957 559660848 /nfs/dbraw/zinc/66/08/48/559660848.db2.gz CVGCUVCIQOYTQH-KURKYZTESA-N 1 3 361.486 2.227 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000424438352 559664918 /nfs/dbraw/zinc/66/49/18/559664918.db2.gz KWBQPCNYYKVDHK-UHFFFAOYSA-N 1 3 360.502 2.163 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)c1 ZINC000424438352 559664919 /nfs/dbraw/zinc/66/49/19/559664919.db2.gz KWBQPCNYYKVDHK-UHFFFAOYSA-N 1 3 360.502 2.163 20 0 FEADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424468699 559666360 /nfs/dbraw/zinc/66/63/60/559666360.db2.gz PLNFNEIJFKILRH-IEBWSBKVSA-N 1 3 374.529 2.409 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@]3(F)c3ccccc3)CC2)CC1 ZINC000425445041 559702709 /nfs/dbraw/zinc/70/27/09/559702709.db2.gz NBOLKXGDFPUWDS-CTNGQTDRSA-N 1 3 374.504 2.482 20 0 FEADHO CN1C[C@@H]2CCCN(C(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)[C@@H]2C1 ZINC000425662861 559713782 /nfs/dbraw/zinc/71/37/82/559713782.db2.gz KDOLTZWEOALHFI-QHAWAJNXSA-N 1 3 370.541 2.287 20 0 FEADHO CN1C[C@@H]2CCCN(C(=O)NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)[C@@H]2C1 ZINC000425662861 559713783 /nfs/dbraw/zinc/71/37/83/559713783.db2.gz KDOLTZWEOALHFI-QHAWAJNXSA-N 1 3 370.541 2.287 20 0 FEADHO CCCN(CCN1CCN(CC)CC1)C(=O)c1ccccc1C[NH+](C)C ZINC000426164897 559730768 /nfs/dbraw/zinc/73/07/68/559730768.db2.gz FCYGZHKDMCGYIB-UHFFFAOYSA-N 1 3 360.546 2.238 20 0 FEADHO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCN1C1CC1 ZINC000427072799 559747163 /nfs/dbraw/zinc/74/71/63/559747163.db2.gz GAIMMWJHKAYIBT-OAQYLSRUSA-N 1 3 371.525 2.447 20 0 FEADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000429022885 559789027 /nfs/dbraw/zinc/78/90/27/559789027.db2.gz CXCPHCQXZVLDSY-VURPSTOHSA-N 1 3 372.557 2.068 20 0 FEADHO C[C@@H]1C[C@H]1[N@H+]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000429022885 559789028 /nfs/dbraw/zinc/78/90/28/559789028.db2.gz CXCPHCQXZVLDSY-VURPSTOHSA-N 1 3 372.557 2.068 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)C1(CC)CC ZINC000429332621 559796338 /nfs/dbraw/zinc/79/63/38/559796338.db2.gz HRACXKYUUSJHOF-ZWKOTPCHSA-N 1 3 351.535 2.303 20 0 FEADHO C[C@H](CC(=O)NCCc1ccc(OCCN(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000430913086 559830146 /nfs/dbraw/zinc/83/01/46/559830146.db2.gz RJXVVKQECAKDOS-IEBWSBKVSA-N 1 3 361.530 2.312 20 0 FEADHO CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000430915330 559830322 /nfs/dbraw/zinc/83/03/22/559830322.db2.gz CFPBMEHZIWBITJ-HNNXBMFYSA-N 1 3 363.502 2.112 20 0 FEADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000430941078 559830944 /nfs/dbraw/zinc/83/09/44/559830944.db2.gz UAVPUUUQPAJTQM-CRAIPNDOSA-N 1 3 373.497 2.181 20 0 FEADHO [NH3+]C1(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000431012563 559832246 /nfs/dbraw/zinc/83/22/46/559832246.db2.gz GFACTIZUHYINNV-UHFFFAOYSA-N 1 3 372.557 2.362 20 0 FEADHO COCC[C@]1(C(=O)NCC2CCN(Cc3cccs3)CC2)CC[NH2+]C1 ZINC000431066085 559833327 /nfs/dbraw/zinc/83/33/27/559833327.db2.gz QWABRNUVKZTDTC-LJQANCHMSA-N 1 3 365.543 2.093 20 0 FEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000431806032 559846365 /nfs/dbraw/zinc/84/63/65/559846365.db2.gz YRZWVGSRKCHJEY-UXHICEINSA-N 1 3 359.514 2.134 20 0 FEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000431806032 559846366 /nfs/dbraw/zinc/84/63/66/559846366.db2.gz YRZWVGSRKCHJEY-UXHICEINSA-N 1 3 359.514 2.134 20 0 FEADHO COc1cc(CN(C)CC2(O)CCC2)cc(C[N@H+](C)CC2(O)CCC2)c1 ZINC000432861669 559866476 /nfs/dbraw/zinc/86/64/76/559866476.db2.gz BYADXQCLFMROOE-UHFFFAOYSA-N 1 3 362.514 2.389 20 0 FEADHO COc1cc(CN(C)CC2(O)CCC2)cc(C[N@@H+](C)CC2(O)CCC2)c1 ZINC000432861669 559866477 /nfs/dbraw/zinc/86/64/77/559866477.db2.gz BYADXQCLFMROOE-UHFFFAOYSA-N 1 3 362.514 2.389 20 0 FEADHO CN(C(=O)CCCN1CCC([NH3+])CC1)C1CCN(Cc2ccccc2)CC1 ZINC000433120968 559872345 /nfs/dbraw/zinc/87/23/45/559872345.db2.gz PUAUKHNKDKFPRE-UHFFFAOYSA-N 1 3 372.557 2.313 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCCO1 ZINC000433290534 559876043 /nfs/dbraw/zinc/87/60/43/559876043.db2.gz XFLICDUECLTDKP-HKUYNNGSSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC000433451651 559881586 /nfs/dbraw/zinc/88/15/86/559881586.db2.gz RLAMYJJKQAIHOB-ZWKOTPCHSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCCO1 ZINC000433451651 559881587 /nfs/dbraw/zinc/88/15/87/559881587.db2.gz RLAMYJJKQAIHOB-ZWKOTPCHSA-N 1 3 354.539 2.003 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccccc3OCC(=O)NCC3CC3)C[C@H]21 ZINC000435382120 559921877 /nfs/dbraw/zinc/92/18/77/559921877.db2.gz XUAQIJPWXIHNLJ-QXAKKESOSA-N 1 3 357.498 2.151 20 0 FEADHO CC1(C)Cc2cccc(CN3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)c2O1 ZINC000435379325 559921931 /nfs/dbraw/zinc/92/19/31/559921931.db2.gz LZZONTNYGMNWRC-QFBILLFUSA-N 1 3 371.525 2.480 20 0 FEADHO CCN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435618656 559926497 /nfs/dbraw/zinc/92/64/97/559926497.db2.gz RBAAYJXGCJAWQA-AWEZNQCLSA-N 1 3 366.893 2.232 20 0 FEADHO CC[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@H]1CCCNCC1 ZINC000435618656 559926498 /nfs/dbraw/zinc/92/64/98/559926498.db2.gz RBAAYJXGCJAWQA-AWEZNQCLSA-N 1 3 366.893 2.232 20 0 FEADHO CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@H]1CCCNCC1 ZINC000435618656 559926499 /nfs/dbraw/zinc/92/64/99/559926499.db2.gz RBAAYJXGCJAWQA-AWEZNQCLSA-N 1 3 366.893 2.232 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1ccccc1 ZINC000436298536 559939323 /nfs/dbraw/zinc/93/93/23/559939323.db2.gz CIQRONXNSLCTFW-SVFBPWRDSA-N 1 3 359.514 2.202 20 0 FEADHO COCCCN(C)CCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437722508 559968541 /nfs/dbraw/zinc/96/85/41/559968541.db2.gz RNQDJIDFEZRMCU-GOSISDBHSA-N 1 3 354.539 2.051 20 0 FEADHO COCCCN(C)CCNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437722508 559968542 /nfs/dbraw/zinc/96/85/42/559968542.db2.gz RNQDJIDFEZRMCU-GOSISDBHSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443057640 560068567 /nfs/dbraw/zinc/06/85/67/560068567.db2.gz HMSVCCSSRQGZBD-HOTGVXAUSA-N 1 3 358.486 2.201 20 0 FEADHO CCO[C@H]1C[C@@](N)(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1(C)C ZINC000444182067 560104602 /nfs/dbraw/zinc/10/46/02/560104602.db2.gz LBKICCUPPCOJPK-FXAWDEMLSA-N 1 3 351.535 2.290 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000446260300 560142878 /nfs/dbraw/zinc/14/28/78/560142878.db2.gz LWSSWXJFUNVCJA-JQVVWYNYSA-N 1 3 371.525 2.431 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448033262 560176300 /nfs/dbraw/zinc/17/63/00/560176300.db2.gz YVDBEHYUEKRGFY-ROUUACIJSA-N 1 3 368.566 2.249 20 0 FEADHO CCN1CCN(CCCC[NH2+]Cc2cnn(-c3ccc(OC)cc3)c2)CC1 ZINC000449076838 560215217 /nfs/dbraw/zinc/21/52/17/560215217.db2.gz IKGVMSZZPXEDFF-UHFFFAOYSA-N 1 3 371.529 2.388 20 0 FEADHO CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449362646 560227092 /nfs/dbraw/zinc/22/70/92/560227092.db2.gz LLBLSISNCXPWOU-YADHBBJMSA-N 1 3 372.557 2.122 20 0 FEADHO OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000449388513 560228124 /nfs/dbraw/zinc/22/81/24/560228124.db2.gz AEUXREKUZUGOMA-YUMYIRISSA-N 1 3 357.542 2.333 20 0 FEADHO OCCN1CCCC[C@@H]1CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000449388513 560228125 /nfs/dbraw/zinc/22/81/25/560228125.db2.gz AEUXREKUZUGOMA-YUMYIRISSA-N 1 3 357.542 2.333 20 0 FEADHO OCCN1CCCC[C@@H]1CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000449388513 560228126 /nfs/dbraw/zinc/22/81/26/560228126.db2.gz AEUXREKUZUGOMA-YUMYIRISSA-N 1 3 357.542 2.333 20 0 FEADHO CC[C@@H]1[C@H](CO)CCN1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000451256789 560296356 /nfs/dbraw/zinc/29/63/56/560296356.db2.gz PIEBRPHWANKDDZ-PZJWPPBQSA-N 1 3 373.541 2.168 20 0 FEADHO O[C@H](C[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1)CN1CCCC1 ZINC000453090648 560383054 /nfs/dbraw/zinc/38/30/54/560383054.db2.gz KPSXTIAFHKNRMZ-QRQLOZEOSA-N 1 3 352.906 2.476 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)Cc2cccc(F)c2)[C@H](C)C1 ZINC000453233222 560384621 /nfs/dbraw/zinc/38/46/21/560384621.db2.gz HMZTZULZKJTCHR-UXPWSPDFSA-N 1 3 352.494 2.456 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)Cc2cccc(F)c2)[C@H](C)C1 ZINC000453233222 560384622 /nfs/dbraw/zinc/38/46/22/560384622.db2.gz HMZTZULZKJTCHR-UXPWSPDFSA-N 1 3 352.494 2.456 20 0 FEADHO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)N(C)C ZINC000453577827 560389494 /nfs/dbraw/zinc/38/94/94/560389494.db2.gz XIENEVKEMHIQHP-MJGOQNOKSA-N 1 3 374.529 2.267 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCOCC3CCCC3)CC2)CC1 ZINC000454443530 560444708 /nfs/dbraw/zinc/44/47/08/560444708.db2.gz CKBMKZQIBJQBAB-UHFFFAOYSA-N 1 3 366.550 2.051 20 0 FEADHO C[N@H+](CCCCNC(=O)NCC1CCN(c2ccncc2)CC1)C1CC1 ZINC000455600375 560488873 /nfs/dbraw/zinc/48/88/73/560488873.db2.gz BIEOSESKOBAUPQ-UHFFFAOYSA-N 1 3 359.518 2.472 20 0 FEADHO C[N@@H+](CCCCNC(=O)NCC1CCN(c2ccncc2)CC1)C1CC1 ZINC000455600375 560488874 /nfs/dbraw/zinc/48/88/74/560488874.db2.gz BIEOSESKOBAUPQ-UHFFFAOYSA-N 1 3 359.518 2.472 20 0 FEADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@H]3CCCN(CCCO)C3)ccc21 ZINC000455872807 560498556 /nfs/dbraw/zinc/49/85/56/560498556.db2.gz ZFVCDHQJISXZKA-HKUYNNGSSA-N 1 3 360.502 2.204 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457543586 560573320 /nfs/dbraw/zinc/57/33/20/560573320.db2.gz BHWKQHRWOSGNDI-UHFFFAOYSA-N 1 3 351.535 2.257 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NC(C)(C)C[NH+]2CCCC2)cc1 ZINC000457627406 560578556 /nfs/dbraw/zinc/57/85/56/560578556.db2.gz AGYVEFOYXSOKMI-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000458548809 560631772 /nfs/dbraw/zinc/63/17/72/560631772.db2.gz ATQZNKGLPXOAFE-GBMAXXPESA-N 1 3 370.541 2.489 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000458548809 560631773 /nfs/dbraw/zinc/63/17/73/560631773.db2.gz ATQZNKGLPXOAFE-GBMAXXPESA-N 1 3 370.541 2.489 20 0 FEADHO COC(=O)c1cccc2c1CCN(CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000459542224 560693196 /nfs/dbraw/zinc/69/31/96/560693196.db2.gz HGXNNBFHLPUTIT-UHFFFAOYSA-N 1 3 359.514 2.247 20 0 FEADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1CCCN1CCOC ZINC000460273916 560740307 /nfs/dbraw/zinc/74/03/07/560740307.db2.gz FSOCWOBBHRJBGL-IBGZPJMESA-N 1 3 368.566 2.395 20 0 FEADHO C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000461092735 560761342 /nfs/dbraw/zinc/76/13/42/560761342.db2.gz QSKPYUVXONEOOD-UZLBHIALSA-N 1 3 350.503 2.455 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000464939063 560855499 /nfs/dbraw/zinc/85/54/99/560855499.db2.gz ASOXLDKUMRFFEK-KRWDZBQOSA-N 1 3 368.566 2.153 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000464939063 560855500 /nfs/dbraw/zinc/85/55/00/560855500.db2.gz ASOXLDKUMRFFEK-KRWDZBQOSA-N 1 3 368.566 2.153 20 0 FEADHO CCN1CCC(NC(=O)N2CCC(OCC[NH+](CC)CC)CC2)CC1 ZINC000465429574 560865099 /nfs/dbraw/zinc/86/50/99/560865099.db2.gz HQNQVCNBQHAGGW-UHFFFAOYSA-N 1 3 354.539 2.003 20 0 FEADHO CN(C)C1(CNC(=O)NCCC[NH+]2CCCCC2)Cc2ccccc2C1 ZINC000465644157 560870428 /nfs/dbraw/zinc/87/04/28/560870428.db2.gz YKLPQYFKCGXTEN-UHFFFAOYSA-N 1 3 358.530 2.261 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C[C@@H]1CCCO1 ZINC000465852365 560874216 /nfs/dbraw/zinc/87/42/16/560874216.db2.gz WWYZUZWWUBJGSU-KURKYZTESA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)C[C@@H]1CCCO1 ZINC000465852365 560874217 /nfs/dbraw/zinc/87/42/17/560874217.db2.gz WWYZUZWWUBJGSU-KURKYZTESA-N 1 3 354.539 2.002 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+]CCc2cn3c(n2)SCC3)CC1 ZINC000466463254 560887435 /nfs/dbraw/zinc/88/74/35/560887435.db2.gz GGPBZMXHCMDFMT-UHFFFAOYSA-N 1 3 371.554 2.463 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC3(C[NH+](C)C)CCC3)CC2)c1 ZINC000467727483 560916119 /nfs/dbraw/zinc/91/61/19/560916119.db2.gz FVXPHTSJNHHFJR-UHFFFAOYSA-N 1 3 358.530 2.108 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cn3c(n2)SCC3)[C@H](C)C1 ZINC000468046686 560921607 /nfs/dbraw/zinc/92/16/07/560921607.db2.gz FAUQYMSZTQEBRG-WBVHZDCISA-N 1 3 352.548 2.258 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NCCc2cn3c(n2)SCC3)[C@H](C)C1 ZINC000468046686 560921608 /nfs/dbraw/zinc/92/16/08/560921608.db2.gz FAUQYMSZTQEBRG-WBVHZDCISA-N 1 3 352.548 2.258 20 0 FEADHO C[C@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000468434710 560929792 /nfs/dbraw/zinc/92/97/92/560929792.db2.gz IKCIWNADSSHEQF-VQTJNVASSA-N 1 3 372.557 2.435 20 0 FEADHO C[C@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000468434710 560929793 /nfs/dbraw/zinc/92/97/93/560929793.db2.gz IKCIWNADSSHEQF-VQTJNVASSA-N 1 3 372.557 2.435 20 0 FEADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000469326266 560952621 /nfs/dbraw/zinc/95/26/21/560952621.db2.gz GSKOBENZKAHOOF-ROUUACIJSA-N 1 3 351.535 2.401 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000469854109 560966596 /nfs/dbraw/zinc/96/65/96/560966596.db2.gz LVIWHSGUGWMLSU-HOCLYGCPSA-N 1 3 373.526 2.218 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cc(-n3ccnc3)cs2)C1)[C@H]1CCC[NH2+]1 ZINC000469865337 560967472 /nfs/dbraw/zinc/96/74/72/560967472.db2.gz XRKJWIMQYQWPNK-MAUKXSAKSA-N 1 3 373.526 2.014 20 0 FEADHO COc1c(C)cc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1C ZINC000469867928 560967493 /nfs/dbraw/zinc/96/74/93/560967493.db2.gz ZAONSVOPANCSSZ-IEBWSBKVSA-N 1 3 359.514 2.392 20 0 FEADHO C[C@H]1CCCN(CCNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000471611693 561008602 /nfs/dbraw/zinc/00/86/02/561008602.db2.gz CWHBZXQXCRUOKO-SESVDKBCSA-N 1 3 370.541 2.492 20 0 FEADHO C[C@H]1CCCN(CCNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000471611693 561008603 /nfs/dbraw/zinc/00/86/03/561008603.db2.gz CWHBZXQXCRUOKO-SESVDKBCSA-N 1 3 370.541 2.492 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CN1C1CC1 ZINC000472036236 561016403 /nfs/dbraw/zinc/01/64/03/561016403.db2.gz CJIILPPVQDZSCR-FFGOWVMKSA-N 1 3 368.525 2.385 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CN1C1CC1 ZINC000472036236 561016404 /nfs/dbraw/zinc/01/64/04/561016404.db2.gz CJIILPPVQDZSCR-FFGOWVMKSA-N 1 3 368.525 2.385 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCC[C@]1(C)CO)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000472610483 561030920 /nfs/dbraw/zinc/03/09/20/561030920.db2.gz NJEVAHVEIMGXLX-UCNVEGJOSA-N 1 3 373.541 2.296 20 0 FEADHO CC1CC[NH+](C[C@H](O)CNC(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000476458882 561119915 /nfs/dbraw/zinc/11/99/15/561119915.db2.gz LEQIENWPPCGRBN-MRXNPFEDSA-N 1 3 373.497 2.317 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000528316411 562322352 /nfs/dbraw/zinc/32/23/52/562322352.db2.gz QHJQWIKQVBEKBG-KRWDZBQOSA-N 1 3 351.535 2.255 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@]1(C)Br ZINC000528335758 562323401 /nfs/dbraw/zinc/32/34/01/562323401.db2.gz OSTCPGLTWDWHEF-FMKPAKJESA-N 1 3 360.340 2.034 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@]1(C)Br ZINC000528335758 562323402 /nfs/dbraw/zinc/32/34/02/562323402.db2.gz OSTCPGLTWDWHEF-FMKPAKJESA-N 1 3 360.340 2.034 20 0 FEADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529329747 562369637 /nfs/dbraw/zinc/36/96/37/562369637.db2.gz KLRRKSRQYWYKFI-GOSISDBHSA-N 1 3 374.529 2.094 20 0 FEADHO CCN(CCC[NH+](CC)CC)C(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000530363955 562408417 /nfs/dbraw/zinc/40/84/17/562408417.db2.gz ULCPPEPXUPWUEA-NRFANRHFSA-N 1 3 361.530 2.204 20 0 FEADHO C[C@@H]1CCC[C@](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000531046316 562432996 /nfs/dbraw/zinc/43/29/96/562432996.db2.gz JTOZTQXXHYOEDR-COPCDDAFSA-N 1 3 373.541 2.250 20 0 FEADHO C[NH+](C)[C@@H](CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000531049424 562433081 /nfs/dbraw/zinc/43/30/81/562433081.db2.gz DGKCGGQUSCRUEK-UNMCSNQZSA-N 1 3 373.541 2.250 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1COc2ccc(C)cc21 ZINC000531933953 562462093 /nfs/dbraw/zinc/46/20/93/562462093.db2.gz HTOCEDDSCBVCFX-MJGOQNOKSA-N 1 3 374.529 2.486 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1COc2ccc(C)cc21 ZINC000531933953 562462094 /nfs/dbraw/zinc/46/20/94/562462094.db2.gz HTOCEDDSCBVCFX-MJGOQNOKSA-N 1 3 374.529 2.486 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000532991306 562494951 /nfs/dbraw/zinc/49/49/51/562494951.db2.gz MGJFPQSFNWKCFP-UNMCSNQZSA-N 1 3 373.541 2.108 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000532991306 562494952 /nfs/dbraw/zinc/49/49/52/562494952.db2.gz MGJFPQSFNWKCFP-UNMCSNQZSA-N 1 3 373.541 2.108 20 0 FEADHO CC(C)C[C@H](N[C@H](C)c1ccc([S@@](C)=O)cc1)C(=O)NCC[NH+](C)C ZINC000540744640 562592367 /nfs/dbraw/zinc/59/23/67/562592367.db2.gz PTYFDYAMUFADFP-HYGPGOAJSA-N 1 3 367.559 2.167 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000545946557 562631545 /nfs/dbraw/zinc/63/15/45/562631545.db2.gz VHIJGKMETSWWAQ-UHFFFAOYSA-N 1 3 369.513 2.383 20 0 FEADHO NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]CCCN1CCCCC1 ZINC000556050164 674386015 /nfs/dbraw/zinc/38/60/15/674386015.db2.gz CDJHSKYELKIHJW-GOSISDBHSA-N 1 3 351.516 2.177 20 0 FEADHO CN(C)CCOC1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000604160187 568218279 /nfs/dbraw/zinc/21/82/79/568218279.db2.gz YUTYGXQGFRMAQE-UHFFFAOYSA-N 1 3 354.539 2.003 20 0 FEADHO CCN(CC)[C@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000563115917 568221446 /nfs/dbraw/zinc/22/14/46/568221446.db2.gz TVBITBCNERTWRK-CBNMVNINSA-N 1 3 372.557 2.402 20 0 FEADHO CCN(CC)[C@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000563115917 568221447 /nfs/dbraw/zinc/22/14/47/568221447.db2.gz TVBITBCNERTWRK-CBNMVNINSA-N 1 3 372.557 2.402 20 0 FEADHO COCC[N@H+](C)CC[C@@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000604191239 568223641 /nfs/dbraw/zinc/22/36/41/568223641.db2.gz PVDPZLGOCMDZRJ-AZUAARDMSA-N 1 3 374.529 2.232 20 0 FEADHO COCC[N@@H+](C)CC[C@@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000604191239 568223642 /nfs/dbraw/zinc/22/36/42/568223642.db2.gz PVDPZLGOCMDZRJ-AZUAARDMSA-N 1 3 374.529 2.232 20 0 FEADHO O=C(NC[C@@H]1CCCC[NH2+]1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000636987762 568280968 /nfs/dbraw/zinc/28/09/68/568280968.db2.gz CSBYWFPKYKSNHI-PZJWPPBQSA-N 1 3 356.514 2.436 20 0 FEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637160490 568475869 /nfs/dbraw/zinc/47/58/69/568475869.db2.gz BONVXNIBIMUDNA-HNNXBMFYSA-N 1 3 350.511 2.392 20 0 FEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637160490 568475870 /nfs/dbraw/zinc/47/58/70/568475870.db2.gz BONVXNIBIMUDNA-HNNXBMFYSA-N 1 3 350.511 2.392 20 0 FEADHO CC(C)(C)OC(=O)N(CCNCCC[NH+]1CCC(O)CC1)C(C)(C)C ZINC000809610063 674500882 /nfs/dbraw/zinc/50/08/82/674500882.db2.gz VMXVEBMRQYETLH-UHFFFAOYSA-N 1 3 357.539 2.458 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](COC)C3)CC2)CC1 ZINC000561245955 674649884 /nfs/dbraw/zinc/64/98/84/674649884.db2.gz HNDIAKVJKGMJMP-QGZVFWFLSA-N 1 3 351.535 2.068 20 0 FEADHO C[C@H](CNC(=O)CC1(N2CCOCC2)CCCC1)[NH+]1CCC(C)CC1 ZINC000561863684 674704356 /nfs/dbraw/zinc/70/43/56/674704356.db2.gz REACQPBONIKXOD-GOSISDBHSA-N 1 3 351.535 2.258 20 0 FEADHO CC[NH+](CC)CC(C)(C)COC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000813150547 674724403 /nfs/dbraw/zinc/72/44/03/674724403.db2.gz GTEMJTMBINKRMQ-NEPJUHHUSA-N 1 3 352.397 2.355 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOCC3CCC3)CC2)CC1 ZINC000575814451 671323256 /nfs/dbraw/zinc/32/32/56/671323256.db2.gz NLCKKPHWDLPYGC-UHFFFAOYSA-N 1 3 351.535 2.116 20 0 FEADHO CS(=O)(=O)[C@@H]1CCC[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000579225573 671720549 /nfs/dbraw/zinc/72/05/49/671720549.db2.gz SDAKQOAJFJNYIQ-HIRMHNASSA-N 1 3 364.511 2.188 20 0 FEADHO C[C@H]1C[NH+](CC2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C[C@H](C)O1 ZINC000582803252 672035370 /nfs/dbraw/zinc/03/53/70/672035370.db2.gz UQVIRVJZGLTRJL-IRXDYDNUSA-N 1 3 351.535 2.066 20 0 FEADHO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000582900678 672044869 /nfs/dbraw/zinc/04/48/69/672044869.db2.gz RPHDVMVWZWCMCU-CEXWTWQISA-N 1 3 350.503 2.078 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000390003708 673160025 /nfs/dbraw/zinc/16/00/25/673160025.db2.gz VJBRUAWGQUYWPA-FRFSOERESA-N 1 3 355.404 2.165 20 0 FEADHO O[C@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)CN1CCCC1 ZINC000463073967 673295969 /nfs/dbraw/zinc/29/59/69/673295969.db2.gz MFWMLMDCGCKPES-GOSISDBHSA-N 1 3 351.922 2.351 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(C(OC)OC)ccc2F)CC1 ZINC000818178656 675203077 /nfs/dbraw/zinc/20/30/77/675203077.db2.gz TWSPXZMRCQGOTA-HNNXBMFYSA-N 1 3 353.482 2.233 20 0 FEADHO COC(OC)c1ccc(F)c(CNCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000818194645 675204112 /nfs/dbraw/zinc/20/41/12/675204112.db2.gz LTUZKTMIQGYBPW-UHFFFAOYSA-N 1 3 354.466 2.442 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000819181825 675267355 /nfs/dbraw/zinc/26/73/55/675267355.db2.gz BPJFHAOVQWHFIK-IRXDYDNUSA-N 1 3 357.539 2.172 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000819181825 675267357 /nfs/dbraw/zinc/26/73/57/675267357.db2.gz BPJFHAOVQWHFIK-IRXDYDNUSA-N 1 3 357.539 2.172 20 0 FEADHO COCCC[NH+]1CCC(NC[C@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000567160608 675271829 /nfs/dbraw/zinc/27/18/29/675271829.db2.gz QRRHTSUUNQGCRR-IBGZPJMESA-N 1 3 350.503 2.134 20 0 FEADHO O=C(NCC1CC[NH2+]CC1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000568222160 675359638 /nfs/dbraw/zinc/35/96/38/675359638.db2.gz ZDXSWXYXEBFYEW-UHFFFAOYSA-N 1 3 362.543 2.399 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](OC)[C@H](C)C3)CC2)CC1 ZINC000568228709 675360195 /nfs/dbraw/zinc/36/01/95/675360195.db2.gz HSMYOZNQKJMIIW-APWZRJJASA-N 1 3 351.535 2.066 20 0 FEADHO Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503529 676288482 /nfs/dbraw/zinc/28/84/82/676288482.db2.gz NJJUXIXSPSHFNH-HNNXBMFYSA-N 1 3 355.910 2.415 20 0 FEADHO Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503529 676288484 /nfs/dbraw/zinc/28/84/84/676288484.db2.gz NJJUXIXSPSHFNH-HNNXBMFYSA-N 1 3 355.910 2.415 20 0 FEADHO CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617506626 676289505 /nfs/dbraw/zinc/28/95/05/676289505.db2.gz UKXRZXRXEFRIIY-ZDUSSCGKSA-N 1 3 368.909 2.300 20 0 FEADHO CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617506626 676289508 /nfs/dbraw/zinc/28/95/08/676289508.db2.gz UKXRZXRXEFRIIY-ZDUSSCGKSA-N 1 3 368.909 2.300 20 0 FEADHO Cc1nsc(NC2CC2)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507856 676289752 /nfs/dbraw/zinc/28/97/52/676289752.db2.gz LQKIGLVFOHTFDQ-LBPRGKRZSA-N 1 3 353.536 2.028 20 0 FEADHO Cc1nsc(NC2CC2)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507856 676289754 /nfs/dbraw/zinc/28/97/54/676289754.db2.gz LQKIGLVFOHTFDQ-LBPRGKRZSA-N 1 3 353.536 2.028 20 0 FEADHO CN1CCC([N@@H+]2CC[C@@H](NCc3ncc(Br)cc3F)C2)CC1 ZINC000623416220 676534110 /nfs/dbraw/zinc/53/41/10/676534110.db2.gz NVZCPUNXXQEAGO-CYBMUJFWSA-N 1 3 371.298 2.241 20 0 FEADHO CN1CCC([N@H+]2CC[C@@H](NCc3ncc(Br)cc3F)C2)CC1 ZINC000623416220 676534113 /nfs/dbraw/zinc/53/41/13/676534113.db2.gz NVZCPUNXXQEAGO-CYBMUJFWSA-N 1 3 371.298 2.241 20 0 FEADHO Cc1cc(CNCCN2CCC([NH+](C)C)CC2)ncc1Br ZINC000623440337 676535227 /nfs/dbraw/zinc/53/52/27/676535227.db2.gz SRDNEUSJESBZOQ-UHFFFAOYSA-N 1 3 355.324 2.268 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)Cc3scnc3C)C2)CC[N@@H+]1C ZINC000632633946 677006773 /nfs/dbraw/zinc/00/67/73/677006773.db2.gz DVXQSTRKSOUAMB-IXDOHACOSA-N 1 3 364.559 2.462 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)Cc3scnc3C)C2)CC[N@H+]1C ZINC000632633946 677006774 /nfs/dbraw/zinc/00/67/74/677006774.db2.gz DVXQSTRKSOUAMB-IXDOHACOSA-N 1 3 364.559 2.462 20 0 FEADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000638434259 677145003 /nfs/dbraw/zinc/14/50/03/677145003.db2.gz JMQCEUPDLDMTKC-UHFFFAOYSA-N 1 3 361.511 2.464 20 0 FEADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000638434259 677145004 /nfs/dbraw/zinc/14/50/04/677145004.db2.gz JMQCEUPDLDMTKC-UHFFFAOYSA-N 1 3 361.511 2.464 20 0 FEADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000638761195 677149873 /nfs/dbraw/zinc/14/98/73/677149873.db2.gz ZTJDYQHCVJKAIO-HNNXBMFYSA-N 1 3 352.910 2.139 20 0 FEADHO OC[C@H](c1ccc(Cl)cc1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000649413676 677330721 /nfs/dbraw/zinc/33/07/21/677330721.db2.gz YTKGGJPFNHHPJU-QFBILLFUSA-N 1 3 351.922 2.381 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000650725000 677387452 /nfs/dbraw/zinc/38/74/52/677387452.db2.gz QUOKSTIWVZYTQD-CYBMUJFWSA-N 1 3 355.404 2.481 20 0 FEADHO CCO[C@@H]1CN(C(=O)NC[C@H](c2ccsc2)N(CC)CC)C[C@H]1C[NH3+] ZINC000652127027 677472316 /nfs/dbraw/zinc/47/23/16/677472316.db2.gz DOLZDYNHVFTFAM-BRWVUGGUSA-N 1 3 368.547 2.136 20 0 FEADHO O=S(=O)(NC1CC1)c1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000652340854 677480055 /nfs/dbraw/zinc/48/00/55/677480055.db2.gz JPKVTBPILJBIRC-IBGZPJMESA-N 1 3 363.527 2.091 20 0 FEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345594 677480442 /nfs/dbraw/zinc/48/04/42/677480442.db2.gz GHXPWNZFJWTFNB-QSMSVPEVSA-N 1 3 351.535 2.098 20 0 FEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1scc2c1OCCO2 ZINC000654679509 677595570 /nfs/dbraw/zinc/59/55/70/677595570.db2.gz XBGBDHMAXMAAJE-CQSZACIVSA-N 1 3 367.515 2.007 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](CO)CC(C)C)CC2)CC1 ZINC000655005642 677617195 /nfs/dbraw/zinc/61/71/95/677617195.db2.gz JGAIYODRIZJHQJ-IBGZPJMESA-N 1 3 353.551 2.048 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000661399576 678478229 /nfs/dbraw/zinc/47/82/29/678478229.db2.gz KTPZWVVDLIEKGY-IAGOWNOFSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662696541 678652202 /nfs/dbraw/zinc/65/22/02/678652202.db2.gz NHCANIZTZHAREK-UNEWFSDZSA-N 1 3 355.404 2.480 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nc2ccccc2s1 ZINC000663399895 678731851 /nfs/dbraw/zinc/73/18/51/678731851.db2.gz LQCSZMICXWWWDF-AWEZNQCLSA-N 1 3 363.531 2.368 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nc2ccccc2s1 ZINC000663399895 678731856 /nfs/dbraw/zinc/73/18/56/678731856.db2.gz LQCSZMICXWWWDF-AWEZNQCLSA-N 1 3 363.531 2.368 20 0 FEADHO CCN(C(=O)NCC1(N2CCSCC2)CCCC1)[C@H]1CC[N@H+](CC)C1 ZINC000663699912 678776186 /nfs/dbraw/zinc/77/61/86/678776186.db2.gz RETVNYJQXLYYPO-KRWDZBQOSA-N 1 3 368.591 2.474 20 0 FEADHO CCN(C(=O)NCC1(N2CCSCC2)CCCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000663699912 678776188 /nfs/dbraw/zinc/77/61/88/678776188.db2.gz RETVNYJQXLYYPO-KRWDZBQOSA-N 1 3 368.591 2.474 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000663845931 678797255 /nfs/dbraw/zinc/79/72/55/678797255.db2.gz CJCFNASYAASCJQ-JCGIZDLHSA-N 1 3 350.482 2.253 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000663845931 678797259 /nfs/dbraw/zinc/79/72/59/678797259.db2.gz CJCFNASYAASCJQ-JCGIZDLHSA-N 1 3 350.482 2.253 20 0 FEADHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)C1(S(C)(=O)=O)CC1 ZINC000671726444 679344231 /nfs/dbraw/zinc/34/42/31/679344231.db2.gz XTGLCWILXGFIRA-MRXNPFEDSA-N 1 3 366.527 2.217 20 0 FEADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1CCCN(C)C1 ZINC000674616609 679496182 /nfs/dbraw/zinc/49/61/82/679496182.db2.gz AKVVGAPHXRNHPI-CQSZACIVSA-N 1 3 352.445 2.386 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccncc3Cl)C2)CC[N@@H+]1C ZINC001020174046 680102735 /nfs/dbraw/zinc/10/27/35/680102735.db2.gz SDWNESIEWXOMQJ-QBYUYEEZSA-N 1 3 350.894 2.202 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccncc3Cl)C2)CC[N@H+]1C ZINC001020174046 680102737 /nfs/dbraw/zinc/10/27/37/680102737.db2.gz SDWNESIEWXOMQJ-QBYUYEEZSA-N 1 3 350.894 2.202 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CC(C)(C)CO3)CC2)CC1 ZINC000832798165 680177415 /nfs/dbraw/zinc/17/74/15/680177415.db2.gz OOSREVCMYUSFKA-SFHVURJKSA-N 1 3 351.535 2.114 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC(NCc3cc(O)ccc3Cl)CC2)CC[N@@H+]1C ZINC000996607309 680337391 /nfs/dbraw/zinc/33/73/91/680337391.db2.gz MSAGYOXSSLSNLE-CXAGYDPISA-N 1 3 365.905 2.466 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC(NCc3cc(O)ccc3Cl)CC2)CC[N@H+]1C ZINC000996607309 680337393 /nfs/dbraw/zinc/33/73/93/680337393.db2.gz MSAGYOXSSLSNLE-CXAGYDPISA-N 1 3 365.905 2.466 20 0 FEADHO Cc1csc(CNC2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001026495946 680344821 /nfs/dbraw/zinc/34/48/21/680344821.db2.gz AXQSEIUJRGLMCK-PRLABOORSA-N 1 3 350.532 2.309 20 0 FEADHO Cc1csc(CNC2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001026495946 680344824 /nfs/dbraw/zinc/34/48/24/680344824.db2.gz AXQSEIUJRGLMCK-PRLABOORSA-N 1 3 350.532 2.309 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2CCC(NCc3snnc3C)CC2)CC[N@@H+]1C ZINC001026497403 680345255 /nfs/dbraw/zinc/34/52/55/680345255.db2.gz YAHRXGFTPMRLKY-SSHXOBKSSA-N 1 3 365.547 2.094 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2CCC(NCc3snnc3C)CC2)CC[N@H+]1C ZINC001026497403 680345261 /nfs/dbraw/zinc/34/52/61/680345261.db2.gz YAHRXGFTPMRLKY-SSHXOBKSSA-N 1 3 365.547 2.094 20 0 FEADHO CCc1nc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cs1 ZINC001026856045 680351436 /nfs/dbraw/zinc/35/14/36/680351436.db2.gz SAONIEURLQUMKY-HYVNUMGLSA-N 1 3 364.559 2.374 20 0 FEADHO CCc1nc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)cs1 ZINC001026856045 680351442 /nfs/dbraw/zinc/35/14/42/680351442.db2.gz SAONIEURLQUMKY-HYVNUMGLSA-N 1 3 364.559 2.374 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)Cc3ccnc(Cl)c3)C2)CC[N@@H+]1C ZINC001029741473 680391563 /nfs/dbraw/zinc/39/15/63/680391563.db2.gz UTTSTLBNJQYXFI-DJIMGWMZSA-N 1 3 364.921 2.356 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)Cc3ccnc(Cl)c3)C2)CC[N@H+]1C ZINC001029741473 680391564 /nfs/dbraw/zinc/39/15/64/680391564.db2.gz UTTSTLBNJQYXFI-DJIMGWMZSA-N 1 3 364.921 2.356 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC001045043625 680619768 /nfs/dbraw/zinc/61/97/68/680619768.db2.gz IZHKWKOWTFWSAP-JEBQAFNWSA-N 1 3 351.441 2.386 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2cc(F)cc(F)c2)CC[N@H+]1C ZINC001045043625 680619773 /nfs/dbraw/zinc/61/97/73/680619773.db2.gz IZHKWKOWTFWSAP-JEBQAFNWSA-N 1 3 351.441 2.386 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc(Cl)n1 ZINC000841848265 680914706 /nfs/dbraw/zinc/91/47/06/680914706.db2.gz GRWZBXJUWSFVHN-HOTGVXAUSA-N 1 3 350.894 2.424 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3cnc(C)s3)CC2)CC1 ZINC000847595260 681401429 /nfs/dbraw/zinc/40/14/29/681401429.db2.gz AACQHDPMSKVCIG-UHFFFAOYSA-N 1 3 364.559 2.307 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)N[C@H]1CCOc2ccccc21 ZINC000849276205 681676046 /nfs/dbraw/zinc/67/60/46/681676046.db2.gz BPWLMPZZYAWGSP-RDJZCZTQSA-N 1 3 364.559 2.246 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)N[C@H]1CCOc2ccccc21 ZINC000849276205 681676050 /nfs/dbraw/zinc/67/60/50/681676050.db2.gz BPWLMPZZYAWGSP-RDJZCZTQSA-N 1 3 364.559 2.246 20 0 FEADHO CCO[C@@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)C[NH+](C)C ZINC000913891012 685487896 /nfs/dbraw/zinc/48/78/96/685487896.db2.gz HFRATBANAHSHET-JKSUJKDBSA-N 1 3 368.547 2.151 20 0 FEADHO CN1CCC[C@]2(CC[N@H+](C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 ZINC000852092165 682218288 /nfs/dbraw/zinc/21/82/88/682218288.db2.gz QCFIFDXCXJIMDH-APWZRJJASA-N 1 3 353.507 2.040 20 0 FEADHO CN1CCC[C@]2(CC[N@@H+](C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 ZINC000852092165 682218293 /nfs/dbraw/zinc/21/82/93/682218293.db2.gz QCFIFDXCXJIMDH-APWZRJJASA-N 1 3 353.507 2.040 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccc(Cl)nc3)C2)CC[N@@H+]1C ZINC000968737975 682244259 /nfs/dbraw/zinc/24/42/59/682244259.db2.gz LAEBIYMKFXIMPQ-OWCLPIDISA-N 1 3 350.894 2.156 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccc(Cl)nc3)C2)CC[N@H+]1C ZINC000968737975 682244261 /nfs/dbraw/zinc/24/42/61/682244261.db2.gz LAEBIYMKFXIMPQ-OWCLPIDISA-N 1 3 350.894 2.156 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCc3csc(C)n3)C2)CC[N@@H+]1C ZINC000971566622 682361186 /nfs/dbraw/zinc/36/11/86/682361186.db2.gz HWQPDXALOXCDNN-OKZBNKHCSA-N 1 3 364.559 2.257 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)CCc3csc(C)n3)C2)CC[N@H+]1C ZINC000971566622 682361188 /nfs/dbraw/zinc/36/11/88/682361188.db2.gz HWQPDXALOXCDNN-OKZBNKHCSA-N 1 3 364.559 2.257 20 0 FEADHO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000788248618 682515039 /nfs/dbraw/zinc/51/50/39/682515039.db2.gz RVAJIJGDVCMFLH-GVDBMIGSSA-N 1 3 355.523 2.259 20 0 FEADHO CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)CCCC[NH+](C)C)CC1 ZINC000854334600 682538293 /nfs/dbraw/zinc/53/82/93/682538293.db2.gz MYHRXNIYOVLHTP-SFHVURJKSA-N 1 3 355.567 2.438 20 0 FEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc([C@H](C)O)s3)C2)[C@H]1C(C)C ZINC000922393102 683713557 /nfs/dbraw/zinc/71/35/57/683713557.db2.gz KCKTVQXDXMNDPK-IGBMMGQUSA-N 1 3 353.532 2.156 20 0 FEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc([C@H](C)O)s3)C2)[C@H]1C(C)C ZINC000922393102 683713560 /nfs/dbraw/zinc/71/35/60/683713560.db2.gz KCKTVQXDXMNDPK-IGBMMGQUSA-N 1 3 353.532 2.156 20 0 FEADHO CCO[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000865064546 683930337 /nfs/dbraw/zinc/93/03/37/683930337.db2.gz WEJBCOCJIAIJEA-IBGZPJMESA-N 1 3 351.535 2.257 20 0 FEADHO CC(C)[C@H]1C[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000931217105 684242424 /nfs/dbraw/zinc/24/24/24/684242424.db2.gz LYDJSDZAIUDLSH-VQIMIIECSA-N 1 3 351.535 2.112 20 0 FEADHO CN(C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000923305899 684259391 /nfs/dbraw/zinc/25/93/91/684259391.db2.gz LEGGGDXFHLBMFM-XZJROXQQSA-N 1 3 357.281 2.262 20 0 FEADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000923429204 684279468 /nfs/dbraw/zinc/27/94/68/684279468.db2.gz RKLYSCGDEFLGTE-JSCKTKNYSA-N 1 3 373.280 2.239 20 0 FEADHO C[C@@H]1C[C@@H](N(C)S(=O)(=O)[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000923617154 684315933 /nfs/dbraw/zinc/31/59/33/684315933.db2.gz NMOWDOWVZCGBER-NEWSRXKRSA-N 1 3 365.543 2.053 20 0 FEADHO CC(C)(C)OC(=O)N1CCOC[C@@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000924714182 684482257 /nfs/dbraw/zinc/48/22/57/684482257.db2.gz WMLQYAKPILVEEL-KRWDZBQOSA-N 1 3 353.507 2.086 20 0 FEADHO CC1(C)C[C@@H](NCc2cccc(N3CCCS3(=O)=O)c2)C[C@@H]([NH3+])C1 ZINC000925639128 684575523 /nfs/dbraw/zinc/57/55/23/684575523.db2.gz KAWBBJCUPNPSMP-CVEARBPZSA-N 1 3 351.516 2.222 20 0 FEADHO [NH3+]CCC[C@@H](NC[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccccc1 ZINC000925707732 684579176 /nfs/dbraw/zinc/57/91/76/684579176.db2.gz RETXFYBOHLQJLG-IAGOWNOFSA-N 1 3 360.479 2.291 20 0 FEADHO C[NH+](C)C1(C)CCC(NC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000871359223 684807983 /nfs/dbraw/zinc/80/79/83/684807983.db2.gz XAHNATYIRHBIIR-UHFFFAOYSA-N 1 3 351.535 2.401 20 0 FEADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cccc(OC(F)(F)F)c1 ZINC000873232508 685100732 /nfs/dbraw/zinc/10/07/32/685100732.db2.gz RWSQMJQVDOBWAR-QWHCGFSZSA-N 1 3 359.392 2.433 20 0 FEADHO C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000873259027 685102254 /nfs/dbraw/zinc/10/22/54/685102254.db2.gz XRPXTQVWAKMLAP-IWSPIJDZSA-N 1 3 352.287 2.029 20 0 FEADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000875370618 685796646 /nfs/dbraw/zinc/79/66/46/685796646.db2.gz IHLJOINTHXGHLC-LPHOPBHVSA-N 1 3 350.551 2.479 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)CC2(O)CCCCC2)[C@@H](C)C1 ZINC000878446715 686586843 /nfs/dbraw/zinc/58/68/43/686586843.db2.gz IBFWJMJKOUPPLT-FHWLQOOXSA-N 1 3 356.551 2.159 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)CC2(O)CCCCC2)[C@@H](C)C1 ZINC000878446715 686586847 /nfs/dbraw/zinc/58/68/47/686586847.db2.gz IBFWJMJKOUPPLT-FHWLQOOXSA-N 1 3 356.551 2.159 20 0 FEADHO CCO[C@@H]1C[C@@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000878766296 686653981 /nfs/dbraw/zinc/65/39/81/686653981.db2.gz WEQUSBBIZLWRNF-AKHDSKFASA-N 1 3 350.528 2.122 20 0 FEADHO CCO[C@@H]1C[C@@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000878766296 686653984 /nfs/dbraw/zinc/65/39/84/686653984.db2.gz WEQUSBBIZLWRNF-AKHDSKFASA-N 1 3 350.528 2.122 20 0 FEADHO COCC[C@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000884214296 687820760 /nfs/dbraw/zinc/82/07/60/687820760.db2.gz YIFDOTLHIXJNKT-KRWDZBQOSA-N 1 3 353.894 2.032 20 0 FEADHO CCN(C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000891922120 689127206 /nfs/dbraw/zinc/12/72/06/689127206.db2.gz FVZLCOCQHVIDMZ-RDJZCZTQSA-N 1 3 350.532 2.405 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892450209 689198521 /nfs/dbraw/zinc/19/85/21/689198521.db2.gz UGEISCOZCBGDCN-RZDIXWSQSA-N 1 3 350.482 2.416 20 0 FEADHO C[C@@H]1CSCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000892521981 689207813 /nfs/dbraw/zinc/20/78/13/689207813.db2.gz LUESYIQPCPDRNX-OAHLLOKOSA-N 1 3 354.564 2.082 20 0 FEADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000892610745 689218066 /nfs/dbraw/zinc/21/80/66/689218066.db2.gz NCVZGTNOZCQULX-MSOLQXFVSA-N 1 3 352.450 2.350 20 0 FEADHO CCN(CC)[C@H](CNC(=O)c1ccnn1CC[NH+](C)C)c1ccsc1 ZINC000900191882 690482113 /nfs/dbraw/zinc/48/21/13/690482113.db2.gz HSLSMKRUKPEZPC-QGZVFWFLSA-N 1 3 363.531 2.319 20 0 FEADHO COc1ccc(C[C@](C)(O)CN[C@@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000902389183 690762802 /nfs/dbraw/zinc/76/28/02/690762802.db2.gz SLXOGDRGVDGPAW-UZLBHIALSA-N 1 3 350.503 2.365 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904320450 691019672 /nfs/dbraw/zinc/01/96/72/691019672.db2.gz HLQJNRBMGCMFMT-FGTMMUONSA-N 1 3 360.527 2.292 20 0 FEADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000905080988 691064910 /nfs/dbraw/zinc/06/49/10/691064910.db2.gz FTAIUZNIRCCYQX-BBRMVZONSA-N 1 3 374.312 2.204 20 0 FEADHO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1ccc([C@@H]2CCCCN2CC)cn1 ZINC001164616515 719018786 /nfs/dbraw/zinc/01/87/86/719018786.db2.gz KWSZBPIYGPJVDD-XWSJACJDSA-N 1 3 372.513 2.358 20 0 FEADHO CCOC(=O)C1CC[NH+](C2CCN(c3cc(CN(C)C)ccn3)CC2)CC1 ZINC001164616468 719033422 /nfs/dbraw/zinc/03/34/22/719033422.db2.gz CVEJEFSVWJHUFQ-UHFFFAOYSA-N 1 3 374.529 2.387 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)CCOCc3ccccc3)CC2)CC1 ZINC000050797187 540414732 /nfs/dbraw/zinc/41/47/32/540414732.db2.gz OGQUMXNTXOBCFE-UHFFFAOYSA-N 1 3 359.514 2.268 20 0 FEADHO Cc1ccccc1CCNC(=O)[C@@H](C)[NH+]1CCC(CN2CCOCC2)CC1 ZINC000051959297 540449428 /nfs/dbraw/zinc/44/94/28/540449428.db2.gz SRWLOOMNONUJHF-LJQANCHMSA-N 1 3 373.541 2.086 20 0 FEADHO CN(CCNC(=O)c1ccccc1OCC[NH+](C)C)Cc1ccccc1 ZINC000065418240 541237334 /nfs/dbraw/zinc/23/73/34/541237334.db2.gz WTPNHNCUNRBTQE-UHFFFAOYSA-N 1 3 355.482 2.489 20 0 FEADHO COCC[N@H+](C)CCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000065866819 541267063 /nfs/dbraw/zinc/26/70/63/541267063.db2.gz JEHJLKULAWNQCQ-SFHVURJKSA-N 1 3 365.493 2.122 20 0 FEADHO COCC[N@@H+](C)CCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000065866819 541267065 /nfs/dbraw/zinc/26/70/65/541267065.db2.gz JEHJLKULAWNQCQ-SFHVURJKSA-N 1 3 365.493 2.122 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(CN(CC)CC)c2)C1 ZINC000067393642 541454946 /nfs/dbraw/zinc/45/49/46/541454946.db2.gz VKVKCIMMWDCTSX-GOSISDBHSA-N 1 3 374.529 2.315 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(CN(CC)CC)c2)C1 ZINC000067393642 541454950 /nfs/dbraw/zinc/45/49/50/541454950.db2.gz VKVKCIMMWDCTSX-GOSISDBHSA-N 1 3 374.529 2.315 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000073728518 541994003 /nfs/dbraw/zinc/99/40/03/541994003.db2.gz YCJQEUNXPYBSRA-HXUWFJFHSA-N 1 3 372.557 2.307 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000073728518 541993998 /nfs/dbraw/zinc/99/39/98/541993998.db2.gz YCJQEUNXPYBSRA-HXUWFJFHSA-N 1 3 372.557 2.307 20 0 FEADHO CCN1CCN(CCC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000076461321 542281399 /nfs/dbraw/zinc/28/13/99/542281399.db2.gz UDYFIJLWMSIJCU-UHFFFAOYSA-N 1 3 358.530 2.291 20 0 FEADHO COc1cc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc(OC)c1 ZINC000076894015 542328676 /nfs/dbraw/zinc/32/86/76/542328676.db2.gz UCBVWSCOTHTLDW-UHFFFAOYSA-N 1 3 371.481 2.285 20 0 FEADHO CC(C)[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000077752204 542415284 /nfs/dbraw/zinc/41/52/84/542415284.db2.gz JNSOICUSDKZDMP-GOSISDBHSA-N 1 3 374.533 2.395 20 0 FEADHO COc1ccc(C)cc1[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077756309 542416204 /nfs/dbraw/zinc/41/62/04/542416204.db2.gz IBGVHDHMCQXIPU-INIZCTEOSA-N 1 3 350.507 2.199 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c(F)cccc1F ZINC000087237311 542743668 /nfs/dbraw/zinc/74/36/68/542743668.db2.gz GSZULYIRBNHLJN-OAHLLOKOSA-N 1 3 353.457 2.382 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c(F)cccc1F ZINC000087237311 542743671 /nfs/dbraw/zinc/74/36/71/542743671.db2.gz GSZULYIRBNHLJN-OAHLLOKOSA-N 1 3 353.457 2.382 20 0 FEADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1CCCN1C ZINC000092500562 542866291 /nfs/dbraw/zinc/86/62/91/542866291.db2.gz IDMSULVNSMAGQY-IBGZPJMESA-N 1 3 359.518 2.424 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108553074 543293956 /nfs/dbraw/zinc/29/39/56/543293956.db2.gz RWSVMSJEZANZOJ-FQEVSTJZSA-N 1 3 356.514 2.218 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108553074 543293959 /nfs/dbraw/zinc/29/39/59/543293959.db2.gz RWSVMSJEZANZOJ-FQEVSTJZSA-N 1 3 356.514 2.218 20 0 FEADHO CCN1CCN([C@@H](C)CNC(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1 ZINC000112916991 543467951 /nfs/dbraw/zinc/46/79/51/543467951.db2.gz WEFGNHKDGYAHOM-SFHVURJKSA-N 1 3 372.557 2.427 20 0 FEADHO CCN1CCN([C@@H](C)CNC(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)CC1 ZINC000112916991 543467953 /nfs/dbraw/zinc/46/79/53/543467953.db2.gz WEFGNHKDGYAHOM-SFHVURJKSA-N 1 3 372.557 2.427 20 0 FEADHO C[NH+](C)CCCC1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000123211373 543748968 /nfs/dbraw/zinc/74/89/68/543748968.db2.gz XENKWSKBBDCDDC-KRWDZBQOSA-N 1 3 364.486 2.209 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000129350274 544106986 /nfs/dbraw/zinc/10/69/86/544106986.db2.gz ZCPLIGDMYNRNAF-KRWDZBQOSA-N 1 3 362.493 2.383 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000129350274 544106988 /nfs/dbraw/zinc/10/69/88/544106988.db2.gz ZCPLIGDMYNRNAF-KRWDZBQOSA-N 1 3 362.493 2.383 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H](NCc2ccccc2)C1 ZINC000129541307 544117460 /nfs/dbraw/zinc/11/74/60/544117460.db2.gz QKOBDUFVWLJFOF-OALUTQOASA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC[C@H](NCc2ccccc2)C1 ZINC000129541307 544117463 /nfs/dbraw/zinc/11/74/63/544117463.db2.gz QKOBDUFVWLJFOF-OALUTQOASA-N 1 3 356.514 2.435 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000130134228 544139542 /nfs/dbraw/zinc/13/95/42/544139542.db2.gz OWLWKGOZWJNGHN-WFASDCNBSA-N 1 3 354.292 2.109 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000130134228 544139545 /nfs/dbraw/zinc/13/95/45/544139545.db2.gz OWLWKGOZWJNGHN-WFASDCNBSA-N 1 3 354.292 2.109 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(CO)CCOCC2)CC1 ZINC000130151124 544140647 /nfs/dbraw/zinc/14/06/47/544140647.db2.gz WLCKTRBPDUDFDT-UHFFFAOYSA-N 1 3 361.530 2.097 20 0 FEADHO CC(C)[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)N(C)C ZINC000130567202 544156244 /nfs/dbraw/zinc/15/62/44/544156244.db2.gz WPKWJVOCTNYZHW-RTBURBONSA-N 1 3 374.529 2.378 20 0 FEADHO CC(C)[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1)N(C)C ZINC000130567202 544156247 /nfs/dbraw/zinc/15/62/47/544156247.db2.gz WPKWJVOCTNYZHW-RTBURBONSA-N 1 3 374.529 2.378 20 0 FEADHO CCc1nnc(-c2ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc2)o1 ZINC000132553264 544235538 /nfs/dbraw/zinc/23/55/38/544235538.db2.gz YMJHWNKNGFRXGL-UHFFFAOYSA-N 1 3 374.489 2.256 20 0 FEADHO COc1ccc([C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)N2CCCC2)cc1 ZINC000133359493 544265954 /nfs/dbraw/zinc/26/59/54/544265954.db2.gz OYABYJZEGBECFU-WMZOPIPTSA-N 1 3 363.527 2.043 20 0 FEADHO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000133633559 544277744 /nfs/dbraw/zinc/27/77/44/544277744.db2.gz IYISINXQVQCQHJ-QGZVFWFLSA-N 1 3 365.568 2.312 20 0 FEADHO CCC(=O)N1CC[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000134533514 544311975 /nfs/dbraw/zinc/31/19/75/544311975.db2.gz BOSRJIQTTIWUCN-SFHVURJKSA-N 1 3 358.530 2.318 20 0 FEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000154875358 544960704 /nfs/dbraw/zinc/96/07/04/544960704.db2.gz KCESRAXWIBZDJH-AEFFLSMTSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000154875358 544960710 /nfs/dbraw/zinc/96/07/10/544960710.db2.gz KCESRAXWIBZDJH-AEFFLSMTSA-N 1 3 351.535 2.257 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1(C)C ZINC000188079762 328064589 /nfs/dbraw/zinc/06/45/89/328064589.db2.gz VCGOETQARUGWNG-YZLZLFLDSA-N 1 3 353.551 2.393 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1(C)C ZINC000188079762 328064590 /nfs/dbraw/zinc/06/45/90/328064590.db2.gz VCGOETQARUGWNG-YZLZLFLDSA-N 1 3 353.551 2.393 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000190481186 328210229 /nfs/dbraw/zinc/21/02/29/328210229.db2.gz OTMUTBMABDVYGP-WOJBJXKFSA-N 1 3 374.529 2.061 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000190481186 328210231 /nfs/dbraw/zinc/21/02/31/328210231.db2.gz OTMUTBMABDVYGP-WOJBJXKFSA-N 1 3 374.529 2.061 20 0 FEADHO CC(C)[NH+]1CCN(CCCN2CCN([C@@H](C)c3cccnc3)CC2)CC1 ZINC000191508705 328268815 /nfs/dbraw/zinc/26/88/15/328268815.db2.gz XEBXVSCVJOJDPO-FQEVSTJZSA-N 1 3 359.562 2.176 20 0 FEADHO COc1ccc(COC[C@@H](O)CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000193080894 328356127 /nfs/dbraw/zinc/35/61/27/328356127.db2.gz MZKCLXIVNRUPQK-FQEVSTJZSA-N 1 3 362.514 2.381 20 0 FEADHO CN(C)CCn1ccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000193844741 328398577 /nfs/dbraw/zinc/39/85/77/328398577.db2.gz NOEJVACFGCODBC-SFHVURJKSA-N 1 3 370.501 2.088 20 0 FEADHO CN(C)CCn1ccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000193844741 328398579 /nfs/dbraw/zinc/39/85/79/328398579.db2.gz NOEJVACFGCODBC-SFHVURJKSA-N 1 3 370.501 2.088 20 0 FEADHO CCOc1ccc(OC[C@H](O)CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056524398 324808289 /nfs/dbraw/zinc/80/82/89/324808289.db2.gz YWOCJVWTCWXAJD-GOSISDBHSA-N 1 3 350.503 2.489 20 0 FEADHO C[NH+](C)CCOc1ccc(CNC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000079171090 325079947 /nfs/dbraw/zinc/07/99/47/325079947.db2.gz NWOSUIMWRASCPR-UHFFFAOYSA-N 1 3 374.529 2.397 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091232804 325381903 /nfs/dbraw/zinc/38/19/03/325381903.db2.gz JRKQZXSFEJMFIB-APWZRJJASA-N 1 3 359.518 2.280 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091232804 325381905 /nfs/dbraw/zinc/38/19/05/325381905.db2.gz JRKQZXSFEJMFIB-APWZRJJASA-N 1 3 359.518 2.280 20 0 FEADHO C[NH+](C)C1(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCOCC1 ZINC000114015890 325869434 /nfs/dbraw/zinc/86/94/34/325869434.db2.gz FQPWKNXWROQPKN-IBGZPJMESA-N 1 3 374.529 2.234 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccco1)C[NH+]1CCCCC1 ZINC000119746385 326193884 /nfs/dbraw/zinc/19/38/84/326193884.db2.gz SGZSXCKSAXZSHB-QGZVFWFLSA-N 1 3 350.507 2.475 20 0 FEADHO C[C@@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)CN1CCN(C)CC1 ZINC000120866753 326294910 /nfs/dbraw/zinc/29/49/10/326294910.db2.gz DHRAFIRKVMXORT-FQEVSTJZSA-N 1 3 358.574 2.167 20 0 FEADHO CN1CC[NH+](CCCCNC(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000121180038 326319619 /nfs/dbraw/zinc/31/96/19/326319619.db2.gz QLWLRQXDZNDLBW-OAQYLSRUSA-N 1 3 372.557 2.185 20 0 FEADHO Cc1nc2n(n1)C[C@@H](NCc1ccccc1N(C)C1CC[NH+](C)CC1)CC2 ZINC000133682382 326613040 /nfs/dbraw/zinc/61/30/40/326613040.db2.gz UTNBLVFCRSRENO-SFHVURJKSA-N 1 3 368.529 2.222 20 0 FEADHO CCNC(=O)N1CC[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000152743374 326715407 /nfs/dbraw/zinc/71/54/07/326715407.db2.gz SKGSAISMBGDPTO-SFHVURJKSA-N 1 3 373.545 2.110 20 0 FEADHO CCN1CC[C@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)[C@H](C)C1 ZINC000162020528 327014905 /nfs/dbraw/zinc/01/49/05/327014905.db2.gz MEIURJXFRAPZGL-QUCCMNQESA-N 1 3 361.530 2.218 20 0 FEADHO CC1(C(=O)NCCCN2CCC(O)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000164698485 327073554 /nfs/dbraw/zinc/07/35/54/327073554.db2.gz HFBPFYWUOGDRSP-UHFFFAOYSA-N 1 3 373.541 2.252 20 0 FEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173918999 327294571 /nfs/dbraw/zinc/29/45/71/327294571.db2.gz VDFYXNSYQKQWMY-INIZCTEOSA-N 1 3 350.511 2.078 20 0 FEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173918999 327294573 /nfs/dbraw/zinc/29/45/73/327294573.db2.gz VDFYXNSYQKQWMY-INIZCTEOSA-N 1 3 350.511 2.078 20 0 FEADHO C[NH+](C)CCn1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)n1 ZINC000173945344 327296408 /nfs/dbraw/zinc/29/64/08/327296408.db2.gz RQBNFVKHGHEHEE-SFHVURJKSA-N 1 3 370.501 2.231 20 0 FEADHO O=C(CC[C@H]1CC[NH2+]C1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000261683290 328811305 /nfs/dbraw/zinc/81/13/05/328811305.db2.gz BNIAOAMSVHQCQP-IBGZPJMESA-N 1 3 358.530 2.095 20 0 FEADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262811032 328891405 /nfs/dbraw/zinc/89/14/05/328891405.db2.gz QFSXIHUCIGERPW-ICSRJNTNSA-N 1 3 367.497 2.375 20 0 FEADHO COCCN1CC[C@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000265771685 329158497 /nfs/dbraw/zinc/15/84/97/329158497.db2.gz SVXMCMGIIUYIJZ-IBGZPJMESA-N 1 3 374.529 2.013 20 0 FEADHO COCCC[N@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000266728729 329253592 /nfs/dbraw/zinc/25/35/92/329253592.db2.gz VINWEWIJLBIANO-MRXNPFEDSA-N 1 3 368.547 2.153 20 0 FEADHO COCCC[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000266728729 329253594 /nfs/dbraw/zinc/25/35/94/329253594.db2.gz VINWEWIJLBIANO-MRXNPFEDSA-N 1 3 368.547 2.153 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000266729523 329253710 /nfs/dbraw/zinc/25/37/10/329253710.db2.gz BCSCJFXZSHXUEE-LPHOPBHVSA-N 1 3 358.530 2.210 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[N@H+]1C ZINC000266729523 329253711 /nfs/dbraw/zinc/25/37/11/329253711.db2.gz BCSCJFXZSHXUEE-LPHOPBHVSA-N 1 3 358.530 2.210 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH+](C)C)cc2)CC1 ZINC000267534124 329336071 /nfs/dbraw/zinc/33/60/71/329336071.db2.gz RRGMGZKQXLLFQU-HXUWFJFHSA-N 1 3 358.530 2.383 20 0 FEADHO CC(C)N1CCN(C2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)CC1 ZINC000273343910 329857241 /nfs/dbraw/zinc/85/72/41/329857241.db2.gz UCNRJBXOAQLKQC-QFIPXVFZSA-N 1 3 359.558 2.471 20 0 FEADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccccc1OCC(=O)OC ZINC000273373192 329859441 /nfs/dbraw/zinc/85/94/41/329859441.db2.gz PYLRTVONXXVJTH-JKSUJKDBSA-N 1 3 352.475 2.246 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000275418254 330046393 /nfs/dbraw/zinc/04/63/93/330046393.db2.gz HEZOKIPSJZYBJS-INIZCTEOSA-N 1 3 359.518 2.391 20 0 FEADHO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccccc1CCN(C)C ZINC000275688515 330077982 /nfs/dbraw/zinc/07/79/82/330077982.db2.gz QYBNQHXWQKMMPY-QGZVFWFLSA-N 1 3 350.507 2.269 20 0 FEADHO CC[NH+]1CCC(CNC(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000554582885 674324953 /nfs/dbraw/zinc/32/49/53/674324953.db2.gz LTQHBUNGDGRQFQ-UHFFFAOYSA-N 1 3 368.591 2.379 20 0 FEADHO CC(C)c1ccc([C@@H](N)CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000262799041 517485923 /nfs/dbraw/zinc/48/59/23/517485923.db2.gz NTKHNUJPKYEKEB-MSOLQXFVSA-N 1 3 355.486 2.361 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000478791478 561174999 /nfs/dbraw/zinc/17/49/99/561174999.db2.gz YMLYNPBQIRQWME-VQTJNVASSA-N 1 3 374.529 2.395 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000478791478 561175000 /nfs/dbraw/zinc/17/50/00/561175000.db2.gz YMLYNPBQIRQWME-VQTJNVASSA-N 1 3 374.529 2.395 20 0 FEADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000479621376 561193452 /nfs/dbraw/zinc/19/34/52/561193452.db2.gz PJEXOIFEQJVHRP-KRWDZBQOSA-N 1 3 351.535 2.210 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000176035737 546393690 /nfs/dbraw/zinc/39/36/90/546393690.db2.gz WJENAUXFGXVGPC-UHFFFAOYSA-N 1 3 374.529 2.421 20 0 FEADHO COCCN(C)CCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176225034 546421047 /nfs/dbraw/zinc/42/10/47/546421047.db2.gz XGBXEAWKXILLCJ-UHFFFAOYSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@@H]1C[N@@H+](CCC2CCN(Cc3cccc(C(N)=O)c3)CC2)C[C@H](C)O1 ZINC000177505052 546632841 /nfs/dbraw/zinc/63/28/41/546632841.db2.gz YBKPYLLFUMDVSC-CALCHBBNSA-N 1 3 359.514 2.497 20 0 FEADHO C[C@@H]1C[N@H+](CCC2CCN(Cc3cccc(C(N)=O)c3)CC2)C[C@H](C)O1 ZINC000177505052 546632846 /nfs/dbraw/zinc/63/28/46/546632846.db2.gz YBKPYLLFUMDVSC-CALCHBBNSA-N 1 3 359.514 2.497 20 0 FEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481292267 561229902 /nfs/dbraw/zinc/22/99/02/561229902.db2.gz MDARFZUTRQUGEO-UIBIWLFHSA-N 1 3 356.580 2.089 20 0 FEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481292267 561229903 /nfs/dbraw/zinc/22/99/03/561229903.db2.gz MDARFZUTRQUGEO-UIBIWLFHSA-N 1 3 356.580 2.089 20 0 FEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481694947 561238748 /nfs/dbraw/zinc/23/87/48/561238748.db2.gz TUUNXCLXMBVPGT-SJLPKXTDSA-N 1 3 356.580 2.378 20 0 FEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000481694947 561238749 /nfs/dbraw/zinc/23/87/49/561238749.db2.gz TUUNXCLXMBVPGT-SJLPKXTDSA-N 1 3 356.580 2.378 20 0 FEADHO CC1CCC(N2CCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)CC2)CC1 ZINC000481773981 561241836 /nfs/dbraw/zinc/24/18/36/561241836.db2.gz DHJHKPFQGBPFEY-TVPLGVNVSA-N 1 3 368.591 2.330 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000180287541 547079766 /nfs/dbraw/zinc/07/97/66/547079766.db2.gz MDFYZFQKTHUGOV-UHFFFAOYSA-N 1 3 359.518 2.470 20 0 FEADHO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C12CCC2 ZINC000181670170 547356574 /nfs/dbraw/zinc/35/65/74/547356574.db2.gz JESDISGODVTLGL-OALUTQOASA-N 1 3 359.514 2.415 20 0 FEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000483748870 561283268 /nfs/dbraw/zinc/28/32/68/561283268.db2.gz VTSRHGMYOFDMGO-LJQANCHMSA-N 1 3 374.529 2.489 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCC[NH+]2CCCCCC2)CC1 ZINC000183398743 547650562 /nfs/dbraw/zinc/65/05/62/547650562.db2.gz WYCWYXWTOYFDNU-QGZVFWFLSA-N 1 3 367.534 2.032 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3cccc4c3OCO4)CC2)CC1 ZINC000184287109 547800476 /nfs/dbraw/zinc/80/04/76/547800476.db2.gz OAFRAILHLYZFAL-UHFFFAOYSA-N 1 3 373.497 2.023 20 0 FEADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@](C)(CO)C1CCCCC1)c1ccccc1 ZINC000184585851 547850052 /nfs/dbraw/zinc/85/00/52/547850052.db2.gz ONWDCBZSLMJHNU-FPOVZHCZSA-N 1 3 361.530 2.326 20 0 FEADHO CN(C)CCN(Cc1ccco1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185180976 547947727 /nfs/dbraw/zinc/94/77/27/547947727.db2.gz GGZDAEJXPBIZEG-UHFFFAOYSA-N 1 3 350.507 2.475 20 0 FEADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CC[NH+](CCOC)CC1)c1ccco1 ZINC000485410818 561318625 /nfs/dbraw/zinc/31/86/25/561318625.db2.gz XFGXTRKKIHJBTN-NVXWUHKLSA-N 1 3 366.506 2.119 20 0 FEADHO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCCN(CC2CCCCC2)CC1 ZINC000485821282 561329031 /nfs/dbraw/zinc/32/90/31/561329031.db2.gz VANQLZCSEDCBJM-QGZVFWFLSA-N 1 3 359.518 2.215 20 0 FEADHO CCN1CC[C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)[C@H](C)C1 ZINC000186704221 548176840 /nfs/dbraw/zinc/17/68/40/548176840.db2.gz ZSTIPMWPENBWLI-PBHICJAKSA-N 1 3 369.506 2.186 20 0 FEADHO CN(C(=O)C1CC[NH+](C2CC2)CC1)C1CCN(CCc2ccccn2)CC1 ZINC000194497916 548490590 /nfs/dbraw/zinc/49/05/90/548490590.db2.gz VINIDFURKMUWDG-UHFFFAOYSA-N 1 3 370.541 2.421 20 0 FEADHO CCN(C(=O)CNC[C@@H]1CCCO1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000237047230 548797224 /nfs/dbraw/zinc/79/72/24/548797224.db2.gz UVRFUYVXNVRTSS-IHPCNDPISA-N 1 3 359.514 2.439 20 0 FEADHO CCN(C(=O)CNC[C@@H]1CCCO1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000237047230 548797226 /nfs/dbraw/zinc/79/72/26/548797226.db2.gz UVRFUYVXNVRTSS-IHPCNDPISA-N 1 3 359.514 2.439 20 0 FEADHO C[C@H]([NH3+])C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000237399913 548823021 /nfs/dbraw/zinc/82/30/21/548823021.db2.gz ZKLVAPVPHUBYOB-AWEZNQCLSA-N 1 3 372.435 2.071 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000237431758 548826795 /nfs/dbraw/zinc/82/67/95/548826795.db2.gz IXAQCOFPSYIXDC-OALUTQOASA-N 1 3 358.530 2.093 20 0 FEADHO C[C@@H](CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)C1CC[NH2+]CC1 ZINC000237485046 548829866 /nfs/dbraw/zinc/82/98/66/548829866.db2.gz NJSNPWCTSLOIQL-SFHVURJKSA-N 1 3 372.557 2.076 20 0 FEADHO C[C@@]1(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCC[NH2+]C1 ZINC000237578310 548836736 /nfs/dbraw/zinc/83/67/36/548836736.db2.gz LDMWDBQYSBLQQS-OAQYLSRUSA-N 1 3 358.530 2.095 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000237606608 548838868 /nfs/dbraw/zinc/83/88/68/548838868.db2.gz ATECDNWDCAGOSS-QKLQHJQFSA-N 1 3 351.535 2.114 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@]3(C)CCCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000237607098 548838913 /nfs/dbraw/zinc/83/89/13/548838913.db2.gz KQCJBDQHCBEJGX-QKLQHJQFSA-N 1 3 351.535 2.257 20 0 FEADHO O=C(N[C@H]1CCC[NH2+]C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237793603 548853632 /nfs/dbraw/zinc/85/36/32/548853632.db2.gz ODGFYQKGEWNOCP-DOTOQJQBSA-N 1 3 355.404 2.309 20 0 FEADHO O=C(C[C@H]1CSCCN1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000238084371 548877352 /nfs/dbraw/zinc/87/73/52/548877352.db2.gz KJAGNCAFFMWLMR-HRVKUGKESA-N 1 3 359.539 2.393 20 0 FEADHO O=C(C[C@H]1CSCCN1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000238084371 548877356 /nfs/dbraw/zinc/87/73/56/548877356.db2.gz KJAGNCAFFMWLMR-HRVKUGKESA-N 1 3 359.539 2.393 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000245419908 548913286 /nfs/dbraw/zinc/91/32/86/548913286.db2.gz HHSZGROFKRNVJS-TZIWHRDSSA-N 1 3 372.557 2.306 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)CC2)c1 ZINC000245419908 548913291 /nfs/dbraw/zinc/91/32/91/548913291.db2.gz HHSZGROFKRNVJS-TZIWHRDSSA-N 1 3 372.557 2.306 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)[C@H](C)C1 ZINC000246340149 549110077 /nfs/dbraw/zinc/11/00/77/549110077.db2.gz OICGTQQPUHDRGJ-AKHDSKFASA-N 1 3 368.566 2.105 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)[C@H](C)C1 ZINC000246340149 549110079 /nfs/dbraw/zinc/11/00/79/549110079.db2.gz OICGTQQPUHDRGJ-AKHDSKFASA-N 1 3 368.566 2.105 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000246410654 549127227 /nfs/dbraw/zinc/12/72/27/549127227.db2.gz UUHXYTCVATZPNG-QFBILLFUSA-N 1 3 362.518 2.109 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000246410654 549127231 /nfs/dbraw/zinc/12/72/31/549127231.db2.gz UUHXYTCVATZPNG-QFBILLFUSA-N 1 3 362.518 2.109 20 0 FEADHO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000246436276 549131935 /nfs/dbraw/zinc/13/19/35/549131935.db2.gz TZGFFHLUDHTPLR-VQTJNVASSA-N 1 3 354.498 2.307 20 0 FEADHO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000246436276 549131937 /nfs/dbraw/zinc/13/19/37/549131937.db2.gz TZGFFHLUDHTPLR-VQTJNVASSA-N 1 3 354.498 2.307 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000246487361 549143715 /nfs/dbraw/zinc/14/37/15/549143715.db2.gz GXWASNGMLHAUMJ-APWZRJJASA-N 1 3 357.502 2.097 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000246487361 549143720 /nfs/dbraw/zinc/14/37/20/549143720.db2.gz GXWASNGMLHAUMJ-APWZRJJASA-N 1 3 357.502 2.097 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000247210496 549299679 /nfs/dbraw/zinc/29/96/79/549299679.db2.gz RTURMKFYXZVYJH-YLJYHZDGSA-N 1 3 374.529 2.473 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000247210496 549299682 /nfs/dbraw/zinc/29/96/82/549299682.db2.gz RTURMKFYXZVYJH-YLJYHZDGSA-N 1 3 374.529 2.473 20 0 FEADHO CCc1cc(OC)ccc1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261642478 549737942 /nfs/dbraw/zinc/73/79/42/549737942.db2.gz AKTYSOJCUSWCAN-OXJNMPFZSA-N 1 3 359.514 2.338 20 0 FEADHO Cc1nc2ccccc2nc1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261891041 549766925 /nfs/dbraw/zinc/76/69/25/549766925.db2.gz QOQRZVKYRUTYRG-APWZRJJASA-N 1 3 367.497 2.018 20 0 FEADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](N)C1CCOCC1 ZINC000261925004 549770200 /nfs/dbraw/zinc/77/02/00/549770200.db2.gz ZDKIBICZEMWYTQ-OXJNMPFZSA-N 1 3 359.514 2.431 20 0 FEADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](N)C1CCOCC1 ZINC000261925004 549770203 /nfs/dbraw/zinc/77/02/03/549770203.db2.gz ZDKIBICZEMWYTQ-OXJNMPFZSA-N 1 3 359.514 2.431 20 0 FEADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])cc2)CC1 ZINC000263107479 549878806 /nfs/dbraw/zinc/87/88/06/549878806.db2.gz ABZLLZFHEQFJTB-UNMCSNQZSA-N 1 3 372.557 2.348 20 0 FEADHO CCCC[N@H+](C)CCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000491078702 561442762 /nfs/dbraw/zinc/44/27/62/561442762.db2.gz PQVDVQSQJRLYNA-ROUUACIJSA-N 1 3 368.566 2.249 20 0 FEADHO CCCC[N@@H+](C)CCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000491078702 561442763 /nfs/dbraw/zinc/44/27/63/561442763.db2.gz PQVDVQSQJRLYNA-ROUUACIJSA-N 1 3 368.566 2.249 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)COc2ccccc2)[C@H](C)C1 ZINC000268743248 550111329 /nfs/dbraw/zinc/11/13/29/550111329.db2.gz DPEWGEBVSKFTKA-GGPKGHCWSA-N 1 3 350.503 2.153 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)COc2ccccc2)[C@H](C)C1 ZINC000268743248 550111330 /nfs/dbraw/zinc/11/13/30/550111330.db2.gz DPEWGEBVSKFTKA-GGPKGHCWSA-N 1 3 350.503 2.153 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000268830692 550121038 /nfs/dbraw/zinc/12/10/38/550121038.db2.gz DZMHDZNKQQEQMR-UYAOXDASSA-N 1 3 361.530 2.372 20 0 FEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000492728534 561452460 /nfs/dbraw/zinc/45/24/60/561452460.db2.gz OUFQHNHFBYPZRS-MAUKXSAKSA-N 1 3 350.507 2.327 20 0 FEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000492728534 561452461 /nfs/dbraw/zinc/45/24/61/561452461.db2.gz OUFQHNHFBYPZRS-MAUKXSAKSA-N 1 3 350.507 2.327 20 0 FEADHO c1cc(N2CCN(CCC[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)ccn1 ZINC000493818061 561458430 /nfs/dbraw/zinc/45/84/30/561458430.db2.gz LMOQBZVREBRUFT-HSALFYBXSA-N 1 3 356.514 2.141 20 0 FEADHO O=C(CC[C@H]1CC[NH2+]C1)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000270306821 550260387 /nfs/dbraw/zinc/26/03/87/550260387.db2.gz DCIJGQODTGBKNF-FQEVSTJZSA-N 1 3 372.557 2.090 20 0 FEADHO Cc1cc2ncc([C@H](C)[NH2+]C3CCN([C@@H]4CCC[C@H]4O)CC3)c(C)n2n1 ZINC000271537277 550383473 /nfs/dbraw/zinc/38/34/73/550383473.db2.gz SCAINDZSDGUFOY-GDIGMMSISA-N 1 3 357.502 2.375 20 0 FEADHO COC(=O)c1ccccc1-c1ccc(CNCC2(O)CC[NH+](C)CC2)o1 ZINC000274858705 550560096 /nfs/dbraw/zinc/56/00/96/550560096.db2.gz RGDLWZWITNCDLZ-UHFFFAOYSA-N 1 3 358.438 2.280 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276694233 550586015 /nfs/dbraw/zinc/58/60/15/550586015.db2.gz UYXBUBUAAMGALN-UHFFFAOYSA-N 1 3 367.493 2.245 20 0 FEADHO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000494907122 561478910 /nfs/dbraw/zinc/47/89/10/561478910.db2.gz IDVOPFQTTHLAHT-IBGZPJMESA-N 1 3 358.530 2.236 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000495131774 561482797 /nfs/dbraw/zinc/48/27/97/561482797.db2.gz ZGOHZNNHZUWQRW-SJLPKXTDSA-N 1 3 366.550 2.144 20 0 FEADHO C[C@@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CCN1Cc1ccccc1 ZINC000278975919 550842243 /nfs/dbraw/zinc/84/22/43/550842243.db2.gz JLACVYDOHQPLBX-AEFFLSMTSA-N 1 3 367.497 2.223 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)Cc2ccccc2C1 ZINC000497489663 561501850 /nfs/dbraw/zinc/50/18/50/561501850.db2.gz OHXHXNVZLJXKNG-VQTJNVASSA-N 1 3 370.541 2.211 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)Cc2ccccc2C1 ZINC000497489663 561501851 /nfs/dbraw/zinc/50/18/51/561501851.db2.gz OHXHXNVZLJXKNG-VQTJNVASSA-N 1 3 370.541 2.211 20 0 FEADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000498206808 561518649 /nfs/dbraw/zinc/51/86/49/561518649.db2.gz OANALLQCHVOAGU-UNMCSNQZSA-N 1 3 372.557 2.218 20 0 FEADHO C[C@H](CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1)[N@H+](C)C1CC1 ZINC000285292657 551733001 /nfs/dbraw/zinc/73/30/01/551733001.db2.gz GJMVSNIGGKXCSM-MRXNPFEDSA-N 1 3 374.529 2.442 20 0 FEADHO C[C@H](CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1)[N@@H+](C)C1CC1 ZINC000285292657 551733003 /nfs/dbraw/zinc/73/30/03/551733003.db2.gz GJMVSNIGGKXCSM-MRXNPFEDSA-N 1 3 374.529 2.442 20 0 FEADHO Cc1cnn(C)c1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000285477073 551762268 /nfs/dbraw/zinc/76/22/68/551762268.db2.gz OGRNYGACWMIBKM-UHFFFAOYSA-N 1 3 355.530 2.416 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)CCN1C ZINC000498894893 561536946 /nfs/dbraw/zinc/53/69/46/561536946.db2.gz WPCWANNFAGXOMY-AEFFLSMTSA-N 1 3 369.513 2.324 20 0 FEADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1OCCN(C)C ZINC000287062965 551958442 /nfs/dbraw/zinc/95/84/42/551958442.db2.gz AYXGZJGIELIIDP-HKUYNNGSSA-N 1 3 374.529 2.395 20 0 FEADHO C[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000287087343 551962016 /nfs/dbraw/zinc/96/20/16/551962016.db2.gz PEIGGUNQPKGJRV-HOTGVXAUSA-N 1 3 354.516 2.102 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccc(F)cc1F ZINC000499524582 561552831 /nfs/dbraw/zinc/55/28/31/561552831.db2.gz WGQWCTBNBFLDGX-MRXNPFEDSA-N 1 3 369.456 2.218 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccc(F)cc1F ZINC000499524582 561552832 /nfs/dbraw/zinc/55/28/32/561552832.db2.gz WGQWCTBNBFLDGX-MRXNPFEDSA-N 1 3 369.456 2.218 20 0 FEADHO CCOC(=O)N1CCC(NCc2ccncc2OCCC[NH+](C)C)CC1 ZINC000288484102 552161392 /nfs/dbraw/zinc/16/13/92/552161392.db2.gz GRDZYUUFBMZSAH-UHFFFAOYSA-N 1 3 364.490 2.123 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)CC2)c1 ZINC000289353347 552306134 /nfs/dbraw/zinc/30/61/34/552306134.db2.gz YEFOJHFENQHOGM-QFIPXVFZSA-N 1 3 370.541 2.109 20 0 FEADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000289382292 552311480 /nfs/dbraw/zinc/31/14/80/552311480.db2.gz BZWIOGSAPOZRDQ-UHFFFAOYSA-N 1 3 371.525 2.436 20 0 FEADHO O=C(CC[C@@H]1CCC[NH2+]1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000292011096 552684240 /nfs/dbraw/zinc/68/42/40/552684240.db2.gz DFQHJEFOBPWXEI-VQTJNVASSA-N 1 3 359.514 2.080 20 0 FEADHO C[NH+]1CCC(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000292743158 552754382 /nfs/dbraw/zinc/75/43/82/552754382.db2.gz FCJWRRZQKZRAAX-HXUWFJFHSA-N 1 3 359.514 2.126 20 0 FEADHO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000293642218 552843241 /nfs/dbraw/zinc/84/32/41/552843241.db2.gz OCBRBTIFJGEEEJ-MRXNPFEDSA-N 1 3 355.482 2.404 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)NC1CC[NH+](C2CCC2)CC1 ZINC000297312895 553276905 /nfs/dbraw/zinc/27/69/05/553276905.db2.gz YOVBADOLUPCLBZ-UHFFFAOYSA-N 1 3 370.541 2.332 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000297649663 553320102 /nfs/dbraw/zinc/32/01/02/553320102.db2.gz IGDJYFQBJNODBZ-QGZVFWFLSA-N 1 3 350.532 2.405 20 0 FEADHO O=S(=O)(CC[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000298450902 553426443 /nfs/dbraw/zinc/42/64/43/553426443.db2.gz NYZRTKJYMYGGCM-UHFFFAOYSA-N 1 3 359.495 2.255 20 0 FEADHO CC(C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)S(C)(=O)=O ZINC000298576464 553442974 /nfs/dbraw/zinc/44/29/74/553442974.db2.gz DAVNZEJYNXWQKL-GJZGRUSLSA-N 1 3 352.500 2.110 20 0 FEADHO CC(C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)S(C)(=O)=O ZINC000298576464 553442976 /nfs/dbraw/zinc/44/29/76/553442976.db2.gz DAVNZEJYNXWQKL-GJZGRUSLSA-N 1 3 352.500 2.110 20 0 FEADHO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC(C)(C)N(C)C)cc2)CC1 ZINC000298950393 553494139 /nfs/dbraw/zinc/49/41/39/553494139.db2.gz QZCNJMLEFWHCIV-UHFFFAOYSA-N 1 3 374.529 2.313 20 0 FEADHO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506851459 561710199 /nfs/dbraw/zinc/71/01/99/561710199.db2.gz OFPMWWLVEDZJOD-WMZOPIPTSA-N 1 3 363.452 2.497 20 0 FEADHO O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506851459 561710200 /nfs/dbraw/zinc/71/02/00/561710200.db2.gz OFPMWWLVEDZJOD-WMZOPIPTSA-N 1 3 363.452 2.497 20 0 FEADHO CN1CCC2(CC1)C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccccc1O2 ZINC000330270259 554096728 /nfs/dbraw/zinc/09/67/28/554096728.db2.gz TWAQQFXOHHNTFN-RBUKOAKNSA-N 1 3 360.498 2.352 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)c(C)c2)CC1 ZINC000333126009 554576122 /nfs/dbraw/zinc/57/61/22/554576122.db2.gz IXSBXVNLMHIHPK-MSOLQXFVSA-N 1 3 371.529 2.210 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)c(C)c2)CC1 ZINC000333189125 554585905 /nfs/dbraw/zinc/58/59/05/554585905.db2.gz UMXWLYMXLLGMHZ-QZTJIDSGSA-N 1 3 371.529 2.210 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)CC1 ZINC000333258052 554595372 /nfs/dbraw/zinc/59/53/72/554595372.db2.gz DMVZQVLANPVWCC-VQIMIIECSA-N 1 3 357.502 2.044 20 0 FEADHO O=C(NC[C@@H]1CCC[NH2+]C1)NCC1(N2CCSCC2)CCCCC1 ZINC000333371732 554607199 /nfs/dbraw/zinc/60/71/99/554607199.db2.gz MNRIZXRBYHDVSV-MRXNPFEDSA-N 1 3 354.564 2.037 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4c(c3)CCN4)CC2)CC1 ZINC000333395868 554609210 /nfs/dbraw/zinc/60/92/10/554609210.db2.gz YCTQVMBTFMRWGV-UHFFFAOYSA-N 1 3 357.502 2.335 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCN1Cc1ccccc1 ZINC000333593953 554626431 /nfs/dbraw/zinc/62/64/31/554626431.db2.gz OTQSNSPKMBGRKK-HKUYMTLNSA-N 1 3 356.514 2.418 20 0 FEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333760293 554640194 /nfs/dbraw/zinc/64/01/94/554640194.db2.gz CMYKKDFLMUOANW-MNEFBYGVSA-N 1 3 351.535 2.384 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCC3(N4CCSCC4)CCCC3)C[C@H]21 ZINC000333937189 554658019 /nfs/dbraw/zinc/65/80/19/554658019.db2.gz LICZSSIHAYJROK-BRWVUGGUSA-N 1 3 366.575 2.117 20 0 FEADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC[C@H]3CCCN(Cc4cccs4)C3)C[C@H]12 ZINC000333939221 554658321 /nfs/dbraw/zinc/65/83/21/554658321.db2.gz NBAWIJLJCDGTTP-XYVMCAHJSA-N 1 3 362.543 2.339 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000510969411 561852626 /nfs/dbraw/zinc/85/26/26/561852626.db2.gz RIAXBULTFIQUFR-UHFFFAOYSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@H](NC(=O)NC[C@]1(N(C)C)CCSC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511291651 561863971 /nfs/dbraw/zinc/86/39/71/561863971.db2.gz HUMIYBIZIVBOQR-TXPKVOOTSA-N 1 3 368.591 2.376 20 0 FEADHO C[C@H](NC(=O)NC[C@]1(N(C)C)CCSC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511291651 561863972 /nfs/dbraw/zinc/86/39/72/561863972.db2.gz HUMIYBIZIVBOQR-TXPKVOOTSA-N 1 3 368.591 2.376 20 0 FEADHO CN(C(=O)CC1CC[NH+](C)CC1)C1CCN(CCc2ccccn2)CC1 ZINC000363828461 555194887 /nfs/dbraw/zinc/19/48/87/555194887.db2.gz LDNNEWCDEXDWGO-UHFFFAOYSA-N 1 3 358.530 2.279 20 0 FEADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ccccc1Cn1cncn1 ZINC000363836690 555196161 /nfs/dbraw/zinc/19/61/61/555196161.db2.gz VKTJMNIMKJKENW-DUXKGJEZSA-N 1 3 369.513 2.305 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ccccc1Cn1cncn1 ZINC000363836690 555196163 /nfs/dbraw/zinc/19/61/63/555196163.db2.gz VKTJMNIMKJKENW-DUXKGJEZSA-N 1 3 369.513 2.305 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@@H]2CSC[C@@H]2C)CC1 ZINC000512176627 561894865 /nfs/dbraw/zinc/89/48/65/561894865.db2.gz DDZMXAKLRFCKCH-QFBILLFUSA-N 1 3 361.555 2.417 20 0 FEADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000364220162 555272841 /nfs/dbraw/zinc/27/28/41/555272841.db2.gz KVYHVJPEZJOGMJ-BBTUJRGHSA-N 1 3 359.514 2.287 20 0 FEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000364220162 555272843 /nfs/dbraw/zinc/27/28/43/555272843.db2.gz KVYHVJPEZJOGMJ-BBTUJRGHSA-N 1 3 359.514 2.287 20 0 FEADHO CC1CC[NH+](CCCCNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000364733170 555388200 /nfs/dbraw/zinc/38/82/00/555388200.db2.gz BNUYJLKWXZJGJW-MBOZVWFJSA-N 1 3 351.535 2.147 20 0 FEADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000364732969 555388503 /nfs/dbraw/zinc/38/85/03/555388503.db2.gz YYNNFJVVBQNNPS-XKGFGPFHSA-N 1 3 359.514 2.459 20 0 FEADHO CCN1CCN(c2ccccc2CN2CCC([N@H+](C)C[C@H](C)O)CC2)CC1 ZINC000513348767 561934741 /nfs/dbraw/zinc/93/47/41/561934741.db2.gz XHOHBLCNDCCQOX-IBGZPJMESA-N 1 3 374.573 2.106 20 0 FEADHO CCN1CCN(c2ccccc2CN2CCC([N@@H+](C)C[C@H](C)O)CC2)CC1 ZINC000513348767 561934743 /nfs/dbraw/zinc/93/47/43/561934743.db2.gz XHOHBLCNDCCQOX-IBGZPJMESA-N 1 3 374.573 2.106 20 0 FEADHO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000365721886 555650438 /nfs/dbraw/zinc/65/04/38/555650438.db2.gz IIFYFIJUODPCMK-KZNAEPCWSA-N 1 3 371.591 2.067 20 0 FEADHO COc1cccc([C@@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)N2CCCC2)c1 ZINC000514194192 561963058 /nfs/dbraw/zinc/96/30/58/561963058.db2.gz WUMYLSAOYMTFCO-QFBILLFUSA-N 1 3 362.518 2.472 20 0 FEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000367282645 556007219 /nfs/dbraw/zinc/00/72/19/556007219.db2.gz MPHNDGFRQJYARX-IMBTUZDBSA-N 1 3 351.535 2.112 20 0 FEADHO CN(CCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1)c1cc[nH+]cc1 ZINC000514665635 561972685 /nfs/dbraw/zinc/97/26/85/561972685.db2.gz OTAYPASIMQMRLQ-LJQANCHMSA-N 1 3 354.454 2.113 20 0 FEADHO CN(C[C@H](O)Cc1cccc(Cl)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367849750 556154298 /nfs/dbraw/zinc/15/42/98/556154298.db2.gz QEVNXKVFESKNEN-WOJBJXKFSA-N 1 3 365.949 2.344 20 0 FEADHO CN(C[C@H](O)Cc1cccc(Cl)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367849750 556154301 /nfs/dbraw/zinc/15/43/01/556154301.db2.gz QEVNXKVFESKNEN-WOJBJXKFSA-N 1 3 365.949 2.344 20 0 FEADHO CC(C)OCCCNC(=O)C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000514945271 561988089 /nfs/dbraw/zinc/98/80/89/561988089.db2.gz UARXIBQMKDKFAN-UHFFFAOYSA-N 1 3 373.541 2.476 20 0 FEADHO C[C@@H]1C[C@@H](CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000368617617 556364743 /nfs/dbraw/zinc/36/47/43/556364743.db2.gz RWCSHPHBUNCNNN-SJORKVTESA-N 1 3 366.550 2.049 20 0 FEADHO C[C@H](CN1CCCCC1)NC(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000368917877 556448221 /nfs/dbraw/zinc/44/82/21/556448221.db2.gz WZDVAUXJHHNXNH-QGZVFWFLSA-N 1 3 366.550 2.146 20 0 FEADHO COCCN(CCN(C)C)C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000369050725 556489211 /nfs/dbraw/zinc/48/92/11/556489211.db2.gz KXLPBKXAYYQACX-UHFFFAOYSA-N 1 3 368.566 2.249 20 0 FEADHO c1ccc(N2CCO[C@@H](CN3CCC(OCC[NH+]4CCCC4)CC3)C2)cc1 ZINC000515863287 562024110 /nfs/dbraw/zinc/02/41/10/562024110.db2.gz USVNKLSUWLCCBI-QFIPXVFZSA-N 1 3 373.541 2.469 20 0 FEADHO C[NH+]1CCC(NC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000369126838 556511603 /nfs/dbraw/zinc/51/16/03/556511603.db2.gz SWNOUPQYZINYJO-UHFFFAOYSA-N 1 3 366.550 2.194 20 0 FEADHO CCC[NH+]1CCN(C2CCN(C(=O)[C@@H](c3ccccc3)N(C)C)CC2)CC1 ZINC000369156786 556520311 /nfs/dbraw/zinc/52/03/11/556520311.db2.gz IYGFRQJKYRKNMZ-OAQYLSRUSA-N 1 3 372.557 2.308 20 0 FEADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369394302 556588906 /nfs/dbraw/zinc/58/89/06/556588906.db2.gz HAIONBWNGZCBDO-NCXUSEDFSA-N 1 3 368.566 2.151 20 0 FEADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369394302 556588908 /nfs/dbraw/zinc/58/89/08/556588908.db2.gz HAIONBWNGZCBDO-NCXUSEDFSA-N 1 3 368.566 2.151 20 0 FEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000369465434 556605605 /nfs/dbraw/zinc/60/56/05/556605605.db2.gz UOKWDVRGTAFYGX-QZTJIDSGSA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000369465434 556605607 /nfs/dbraw/zinc/60/56/07/556605607.db2.gz UOKWDVRGTAFYGX-QZTJIDSGSA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)[NH2+]CCCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000516167483 562033584 /nfs/dbraw/zinc/03/35/84/562033584.db2.gz BSFXLWLLFKUQDM-UHFFFAOYSA-N 1 3 368.566 2.487 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)[C@H](C)C1 ZINC000369639263 556654810 /nfs/dbraw/zinc/65/48/10/556654810.db2.gz GOTGAIGWMHTBCH-MSOLQXFVSA-N 1 3 351.535 2.210 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)[C@H](C)C1 ZINC000369639263 556654812 /nfs/dbraw/zinc/65/48/12/556654812.db2.gz GOTGAIGWMHTBCH-MSOLQXFVSA-N 1 3 351.535 2.210 20 0 FEADHO COCCC[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000369660387 556662092 /nfs/dbraw/zinc/66/20/92/556662092.db2.gz IMDMZYPEGAOXMG-IBGZPJMESA-N 1 3 362.518 2.043 20 0 FEADHO COCCC[N@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000369660387 556662093 /nfs/dbraw/zinc/66/20/93/556662093.db2.gz IMDMZYPEGAOXMG-IBGZPJMESA-N 1 3 362.518 2.043 20 0 FEADHO CCC[N@H+](CC)CCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369988002 556750328 /nfs/dbraw/zinc/75/03/28/556750328.db2.gz UKGTWFALMFPMOC-LJQANCHMSA-N 1 3 361.534 2.325 20 0 FEADHO CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369988002 556750332 /nfs/dbraw/zinc/75/03/32/556750332.db2.gz UKGTWFALMFPMOC-LJQANCHMSA-N 1 3 361.534 2.325 20 0 FEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000370133072 556789615 /nfs/dbraw/zinc/78/96/15/556789615.db2.gz YTJAIUWSACGGJG-WOJBJXKFSA-N 1 3 373.545 2.261 20 0 FEADHO C[C@H]1CN(CCCCNC(=O)c2cccn2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000370201854 556809306 /nfs/dbraw/zinc/80/93/06/556809306.db2.gz PLQSABMRFQKFFA-IRXDYDNUSA-N 1 3 362.518 2.032 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000370461115 556879731 /nfs/dbraw/zinc/87/97/31/556879731.db2.gz CUMWXDGIIOCCBX-KXBFYZLASA-N 1 3 357.502 2.175 20 0 FEADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3C[NH+]4CCC3CC4)cc2)CC1 ZINC000370611704 556921597 /nfs/dbraw/zinc/92/15/97/556921597.db2.gz CXNLZRNDSVFDDR-FQEVSTJZSA-N 1 3 356.514 2.104 20 0 FEADHO COCCOc1cccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000370705588 556945154 /nfs/dbraw/zinc/94/51/54/556945154.db2.gz HPTMTKPCFMDJOM-WIYYLYMNSA-N 1 3 361.530 2.170 20 0 FEADHO COCCOc1cccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000370705588 556945155 /nfs/dbraw/zinc/94/51/55/556945155.db2.gz HPTMTKPCFMDJOM-WIYYLYMNSA-N 1 3 361.530 2.170 20 0 FEADHO CN1CCC([NH+]2CCC(CCNC(=O)C[C@H](N)c3ccccc3)CC2)CC1 ZINC000371279172 557129153 /nfs/dbraw/zinc/12/91/53/557129153.db2.gz GPIXYOWHNOSXMJ-NRFANRHFSA-N 1 3 372.557 2.389 20 0 FEADHO CN1CCC(N2CC[C@@H]([NH2+]C3CCN(CCC(F)(F)F)CC3)C2)CC1 ZINC000371672891 557259020 /nfs/dbraw/zinc/25/90/20/557259020.db2.gz VTIURDWADANTTB-MRXNPFEDSA-N 1 3 362.484 2.161 20 0 FEADHO CN(Cc1ccc(-n2cccn2)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371776587 557290958 /nfs/dbraw/zinc/29/09/58/557290958.db2.gz AFCVUNQXUUPVTG-NRFANRHFSA-N 1 3 353.514 2.473 20 0 FEADHO CN(Cc1ccc(-n2cccn2)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371776587 557290961 /nfs/dbraw/zinc/29/09/61/557290961.db2.gz AFCVUNQXUUPVTG-NRFANRHFSA-N 1 3 353.514 2.473 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000372193736 557405553 /nfs/dbraw/zinc/40/55/53/557405553.db2.gz XXSKSNAGPBEVEX-IEBWSBKVSA-N 1 3 351.535 2.114 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000372193736 557405554 /nfs/dbraw/zinc/40/55/54/557405554.db2.gz XXSKSNAGPBEVEX-IEBWSBKVSA-N 1 3 351.535 2.114 20 0 FEADHO C[C@H]1CN(Cc2cc3ccccc3[nH]c2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372329658 557441187 /nfs/dbraw/zinc/44/11/87/557441187.db2.gz COYKQRGQXYFMCA-OXJNMPFZSA-N 1 3 354.498 2.398 20 0 FEADHO C[NH+](C)C[C@H]1CCN(C(=O)NC2CCN(Cc3cccs3)CC2)C1 ZINC000372468337 557478758 /nfs/dbraw/zinc/47/87/58/557478758.db2.gz FRPIXJNAHOINLZ-OAHLLOKOSA-N 1 3 350.532 2.306 20 0 FEADHO CCSc1cc(CNC2CC[NH+](CCN3CCOCC3)CC2)ccn1 ZINC000372908338 557586181 /nfs/dbraw/zinc/58/61/81/557586181.db2.gz TWTLFSJLPLBXAY-UHFFFAOYSA-N 1 3 364.559 2.080 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)CCCO1 ZINC000372976543 557601248 /nfs/dbraw/zinc/60/12/48/557601248.db2.gz DBIYJAHWJPELGY-RBUKOAKNSA-N 1 3 366.550 2.147 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)CCCO1 ZINC000372976542 557601415 /nfs/dbraw/zinc/60/14/15/557601415.db2.gz DBIYJAHWJPELGY-OALUTQOASA-N 1 3 366.550 2.147 20 0 FEADHO CN1CC[C@@H](CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1cccnc1 ZINC000372997964 557606434 /nfs/dbraw/zinc/60/64/34/557606434.db2.gz FLVKFJWWVAMZAO-OKYOBFRVSA-N 1 3 357.502 2.000 20 0 FEADHO CN1CC[C@@H](CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1cccnc1 ZINC000372997964 557606436 /nfs/dbraw/zinc/60/64/36/557606436.db2.gz FLVKFJWWVAMZAO-OKYOBFRVSA-N 1 3 357.502 2.000 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])CC2)C[C@H](C)O1 ZINC000519776219 562143649 /nfs/dbraw/zinc/14/36/49/562143649.db2.gz ZVVIGQQPWZFXBZ-OGWHTMIXSA-N 1 3 351.535 2.242 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000519927968 562147943 /nfs/dbraw/zinc/14/79/43/562147943.db2.gz BQFRXFWGBNGSFR-UHFFFAOYSA-N 1 3 362.518 2.110 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)C[C@H](C)O1 ZINC000373321427 557671832 /nfs/dbraw/zinc/67/18/32/557671832.db2.gz SGNIGIQYGNXLTQ-CALCHBBNSA-N 1 3 363.546 2.209 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000373495371 557704642 /nfs/dbraw/zinc/70/46/42/557704642.db2.gz OXNZEHOXGFXGBA-PBHICJAKSA-N 1 3 350.532 2.477 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000373495371 557704644 /nfs/dbraw/zinc/70/46/44/557704644.db2.gz OXNZEHOXGFXGBA-PBHICJAKSA-N 1 3 350.532 2.477 20 0 FEADHO CC(C)[C@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)N(C)C ZINC000520412335 562155771 /nfs/dbraw/zinc/15/57/71/562155771.db2.gz URBAHMCIYKDSDE-LJQANCHMSA-N 1 3 361.534 2.169 20 0 FEADHO C[C@@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1)C(=O)NC(=O)NC1CC1 ZINC000375480744 558035437 /nfs/dbraw/zinc/03/54/37/558035437.db2.gz IDQGJSPNZJGTET-QGPMSJSTSA-N 1 3 358.486 2.036 20 0 FEADHO C[C@H](CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)C[NH+](C)C ZINC000521416246 562175961 /nfs/dbraw/zinc/17/59/61/562175961.db2.gz KXQPYGGCGUZBJX-WBVHZDCISA-N 1 3 353.457 2.458 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)[C@H]3C[NH+]4CCC3CC4)cc2)CC1 ZINC000375974745 558108238 /nfs/dbraw/zinc/10/82/38/558108238.db2.gz NXAYSKFCUBSRDV-FQEVSTJZSA-N 1 3 357.498 2.118 20 0 FEADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376054496 558120196 /nfs/dbraw/zinc/12/01/96/558120196.db2.gz HMQGPLBVCWOJNP-VUBSUSDNSA-N 1 3 371.529 2.199 20 0 FEADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376054496 558120198 /nfs/dbraw/zinc/12/01/98/558120198.db2.gz HMQGPLBVCWOJNP-VUBSUSDNSA-N 1 3 371.529 2.199 20 0 FEADHO CO[C@@]1(C)CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000376565691 558191404 /nfs/dbraw/zinc/19/14/04/558191404.db2.gz JLUUEZYOEGFNTD-FQEVSTJZSA-N 1 3 366.550 2.146 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](C3CC3)C(F)(F)F)CC2)CC1 ZINC000376702435 558210995 /nfs/dbraw/zinc/21/09/95/558210995.db2.gz WBONJJWFEFFPGK-HNNXBMFYSA-N 1 3 362.440 2.185 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](C3CC3)C(F)(F)F)CC2)CC1 ZINC000376702436 558211072 /nfs/dbraw/zinc/21/10/72/558211072.db2.gz WBONJJWFEFFPGK-OAHLLOKOSA-N 1 3 362.440 2.185 20 0 FEADHO CC(C)(C)N1CCC([NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000376820747 558225733 /nfs/dbraw/zinc/22/57/33/558225733.db2.gz VHWREHCQPNHXTG-KRWDZBQOSA-N 1 3 365.543 2.302 20 0 FEADHO COCCCN1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000377485521 558349127 /nfs/dbraw/zinc/34/91/27/558349127.db2.gz BYQBGERIPGRVHE-OAQYLSRUSA-N 1 3 373.541 2.469 20 0 FEADHO COCCCN1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377485521 558349130 /nfs/dbraw/zinc/34/91/30/558349130.db2.gz BYQBGERIPGRVHE-OAQYLSRUSA-N 1 3 373.541 2.469 20 0 FEADHO CN(CCCN(C)CC(=O)N1CCC[C@H]1c1cccs1)CC[NH+](C)C ZINC000377522719 558357161 /nfs/dbraw/zinc/35/71/61/558357161.db2.gz GICKDPGTZFZAJA-KRWDZBQOSA-N 1 3 366.575 2.227 20 0 FEADHO COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)N2CCCC2)c1 ZINC000522306299 562196647 /nfs/dbraw/zinc/19/66/47/562196647.db2.gz HAGGRUONHQLFCH-PXNSSMCTSA-N 1 3 372.513 2.368 20 0 FEADHO COc1cccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)N2CCCC2)c1 ZINC000522306299 562196648 /nfs/dbraw/zinc/19/66/48/562196648.db2.gz HAGGRUONHQLFCH-PXNSSMCTSA-N 1 3 372.513 2.368 20 0 FEADHO [NH3+][C@H](CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390891917 558612983 /nfs/dbraw/zinc/61/29/83/558612983.db2.gz LLCZBIBCZMCEOE-NHCUHLMSSA-N 1 3 367.493 2.484 20 0 FEADHO [NH3+]Cc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000390936743 558613023 /nfs/dbraw/zinc/61/30/23/558613023.db2.gz JNPZRWXMJSBVOO-HXUWFJFHSA-N 1 3 353.466 2.166 20 0 FEADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000524516610 562229858 /nfs/dbraw/zinc/22/98/58/562229858.db2.gz BFLOJJGKUBZTJN-KZNAEPCWSA-N 1 3 368.566 2.105 20 0 FEADHO CC(C)[N@H+](C)CC1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000524666145 562231938 /nfs/dbraw/zinc/23/19/38/562231938.db2.gz OZRWIUNYBFXTTP-KRWDZBQOSA-N 1 3 364.486 2.207 20 0 FEADHO CC(C)[N@@H+](C)CC1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000524666145 562231939 /nfs/dbraw/zinc/23/19/39/562231939.db2.gz OZRWIUNYBFXTTP-KRWDZBQOSA-N 1 3 364.486 2.207 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000410396860 558754935 /nfs/dbraw/zinc/75/49/35/558754935.db2.gz WYZXCRABICKQGI-OALUTQOASA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000410396860 558754937 /nfs/dbraw/zinc/75/49/37/558754937.db2.gz WYZXCRABICKQGI-OALUTQOASA-N 1 3 360.502 2.053 20 0 FEADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000524815316 562235603 /nfs/dbraw/zinc/23/56/03/562235603.db2.gz LTLSAPXDCBKFPE-FQEVSTJZSA-N 1 3 368.481 2.430 20 0 FEADHO Cc1cc(NC[C@H]2CN(C)CCN2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000525357629 562246620 /nfs/dbraw/zinc/24/66/20/562246620.db2.gz VGCJFCFWDUQVFS-ZDUSSCGKSA-N 1 3 350.413 2.224 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 ZINC000411478777 558901966 /nfs/dbraw/zinc/90/19/66/558901966.db2.gz SRGPZVICLOPXGN-MRXNPFEDSA-N 1 3 369.513 2.432 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCc4ccccc4O3)CC2)CC1 ZINC000411770556 558959548 /nfs/dbraw/zinc/95/95/48/558959548.db2.gz ZCPXOIBHKKDVKM-FQEVSTJZSA-N 1 3 357.498 2.055 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)N[C@H]3CCN(C)[C@H](C)C3)CCCC2)CC1 ZINC000525812408 562255817 /nfs/dbraw/zinc/25/58/17/562255817.db2.gz DTFVMZCDFVYEPC-SJORKVTESA-N 1 3 366.550 2.192 20 0 FEADHO COC(=O)[C@]1(C)CCC[N@@H+](CC[C@@H](C)N2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412059137 559008072 /nfs/dbraw/zinc/00/80/72/559008072.db2.gz BPYXGLQNGQMBKM-AHRSYUTCSA-N 1 3 368.518 2.315 20 0 FEADHO COC(=O)[C@]1(C)CCC[N@H+](CC[C@@H](C)N2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412059137 559008074 /nfs/dbraw/zinc/00/80/74/559008074.db2.gz BPYXGLQNGQMBKM-AHRSYUTCSA-N 1 3 368.518 2.315 20 0 FEADHO CCN1CCN(CCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412283283 559024882 /nfs/dbraw/zinc/02/48/82/559024882.db2.gz CQNSWRUBIKXQJT-UHFFFAOYSA-N 1 3 358.530 2.040 20 0 FEADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000412778389 559055704 /nfs/dbraw/zinc/05/57/04/559055704.db2.gz JHDBPDORUUQIOP-IBGZPJMESA-N 1 3 361.530 2.296 20 0 FEADHO COc1cc2nccc(NC[C@@H](O)C[NH+]3CCC(C)CC3)c2cc1OC ZINC000413144757 559082609 /nfs/dbraw/zinc/08/26/09/559082609.db2.gz YIJVGZAPIFVYPP-OAHLLOKOSA-N 1 3 359.470 2.179 20 0 FEADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000414184479 559151884 /nfs/dbraw/zinc/15/18/84/559151884.db2.gz NYCGJBUKRPSPJV-HZPDHXFCSA-N 1 3 353.532 2.333 20 0 FEADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000414184479 559151885 /nfs/dbraw/zinc/15/18/85/559151885.db2.gz NYCGJBUKRPSPJV-HZPDHXFCSA-N 1 3 353.532 2.333 20 0 FEADHO CN1CCC(C[NH2+][C@H]2CCCOc3ccccc32)(N2CCOCC2)CC1 ZINC000414191969 559152557 /nfs/dbraw/zinc/15/25/57/559152557.db2.gz LRLGIFZXXIAICS-IBGZPJMESA-N 1 3 359.514 2.287 20 0 FEADHO CN1CCC(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)(N2CCOCC2)CC1 ZINC000414204728 559153061 /nfs/dbraw/zinc/15/30/61/559153061.db2.gz WQKDSQZKASMJFJ-MSOLQXFVSA-N 1 3 367.578 2.355 20 0 FEADHO COC1([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000414308966 559155850 /nfs/dbraw/zinc/15/58/50/559155850.db2.gz QXQLJWODVHGJCC-SFHVURJKSA-N 1 3 362.514 2.187 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCc2cccc(CN(C)C)c2)cc1 ZINC000414687137 559179736 /nfs/dbraw/zinc/17/97/36/559179736.db2.gz BPXAYZYQJRKADH-AWEZNQCLSA-N 1 3 354.454 2.023 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)C1 ZINC000414752449 559184973 /nfs/dbraw/zinc/18/49/73/559184973.db2.gz KROMMCYOYCYGJW-MAUKXSAKSA-N 1 3 361.461 2.060 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)C1 ZINC000414752449 559184975 /nfs/dbraw/zinc/18/49/75/559184975.db2.gz KROMMCYOYCYGJW-MAUKXSAKSA-N 1 3 361.461 2.060 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000414897665 559193855 /nfs/dbraw/zinc/19/38/55/559193855.db2.gz CBTPDLGJAJPEGU-SFHVURJKSA-N 1 3 372.513 2.115 20 0 FEADHO O=C1CC[C@@H](NCc2cccc(Br)c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414991475 559199375 /nfs/dbraw/zinc/19/93/75/559199375.db2.gz QFQKQVUOYWVDFY-WBVHZDCISA-N 1 3 366.303 2.186 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415064365 559203309 /nfs/dbraw/zinc/20/33/09/559203309.db2.gz CJRFEYUEPFUHCD-QZTJIDSGSA-N 1 3 374.554 2.351 20 0 FEADHO C[C@H]1CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC[C@H]1[NH3+] ZINC000415067958 559203504 /nfs/dbraw/zinc/20/35/04/559203504.db2.gz LUXZOBMLMMMGHI-MAUKXSAKSA-N 1 3 362.543 2.479 20 0 FEADHO C[C@@H]1CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC[C@@H]1[NH3+] ZINC000415067960 559203604 /nfs/dbraw/zinc/20/36/04/559203604.db2.gz LUXZOBMLMMMGHI-QAPCUYQASA-N 1 3 362.543 2.479 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC000415076503 559204073 /nfs/dbraw/zinc/20/40/73/559204073.db2.gz CREATIZLWYIKAS-MRXNPFEDSA-N 1 3 372.444 2.300 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)cc1 ZINC000415115327 559206033 /nfs/dbraw/zinc/20/60/33/559206033.db2.gz ULCBTUOZCQSYFX-QAPCUYQASA-N 1 3 358.486 2.122 20 0 FEADHO C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H](c1ccccc1)N(C)C ZINC000415162063 559210655 /nfs/dbraw/zinc/21/06/55/559210655.db2.gz VTJJQUUZJBNUAO-KUHUBIRLSA-N 1 3 366.465 2.036 20 0 FEADHO Cc1cc(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)n(C2CCN(C)CC2)n1 ZINC000415246002 559217949 /nfs/dbraw/zinc/21/79/49/559217949.db2.gz BQFZYGTWFIOECQ-MRXNPFEDSA-N 1 3 350.511 2.295 20 0 FEADHO C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CCCNCC1)C1CCCCC1 ZINC000415327865 559224555 /nfs/dbraw/zinc/22/45/55/559224555.db2.gz XFAHAGYYABTLAT-UHFFFAOYSA-N 1 3 372.513 2.212 20 0 FEADHO C[N@@H+](Cc1ccccc1NC(=O)C(=O)N1CCCNCC1)C1CCCCC1 ZINC000415327865 559224556 /nfs/dbraw/zinc/22/45/56/559224556.db2.gz XFAHAGYYABTLAT-UHFFFAOYSA-N 1 3 372.513 2.212 20 0 FEADHO C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000415362538 559227792 /nfs/dbraw/zinc/22/77/92/559227792.db2.gz VSLDAFBMCMQMSJ-AEFFLSMTSA-N 1 3 372.513 2.115 20 0 FEADHO CCCN(CCN1CCN(CC)CC1)C(=O)Nc1ccccc1C[NH2+]C ZINC000415906088 559282060 /nfs/dbraw/zinc/28/20/60/559282060.db2.gz WMTAQWJVVKSGSW-UHFFFAOYSA-N 1 3 361.534 2.287 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)C1 ZINC000415990868 559287436 /nfs/dbraw/zinc/28/74/36/559287436.db2.gz DOZBJVPJPBPDPN-VHDGCEQUSA-N 1 3 358.408 2.401 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(F)(F)F ZINC000416004601 559288712 /nfs/dbraw/zinc/28/87/12/559288712.db2.gz ISJPHSYYGBYJCF-LSDHHAIUSA-N 1 3 358.408 2.230 20 0 FEADHO O=C(CCN1CCc2ccccc2C1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000416147355 559294467 /nfs/dbraw/zinc/29/44/67/559294467.db2.gz ATIDWWRFLOAWKQ-UHFFFAOYSA-N 1 3 371.525 2.196 20 0 FEADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000416790896 559332827 /nfs/dbraw/zinc/33/28/27/559332827.db2.gz HTKXMJUMXALXOQ-OAQYLSRUSA-N 1 3 356.514 2.436 20 0 FEADHO C[C@@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000416970315 559340913 /nfs/dbraw/zinc/34/09/13/559340913.db2.gz DWQZHOYAFWKWCW-MJGOQNOKSA-N 1 3 358.530 2.320 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000416974083 559341425 /nfs/dbraw/zinc/34/14/25/559341425.db2.gz KWWQQUFZNZAIMY-UHFFFAOYSA-N 1 3 370.541 2.479 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000416975289 559341433 /nfs/dbraw/zinc/34/14/33/559341433.db2.gz NOBKPKYIIPONHR-LJQANCHMSA-N 1 3 362.518 2.334 20 0 FEADHO CO[C@H]1CCN(C(=O)NC2CCN(Cc3ccccc3C)CC2)[C@H](C[NH3+])C1 ZINC000416980399 559341860 /nfs/dbraw/zinc/34/18/60/559341860.db2.gz UBFJGHOOHBILKF-PMACEKPBSA-N 1 3 374.529 2.107 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000416986292 559342180 /nfs/dbraw/zinc/34/21/80/559342180.db2.gz ZCSFDYWXDMUUEB-QUCCMNQESA-N 1 3 356.514 2.495 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)N1CCc2ccccc2C1 ZINC000417003904 559343327 /nfs/dbraw/zinc/34/33/27/559343327.db2.gz BZWZIFATQLUQGT-FFZOFVMBSA-N 1 3 358.530 2.450 20 0 FEADHO CC[C@H](CNC(=O)N1CCC[C@@H](C[NH2+]C)C1)N1CCc2ccccc2C1 ZINC000417014496 559343853 /nfs/dbraw/zinc/34/38/53/559343853.db2.gz LCGIZXDIJFWZDX-FXAWDEMLSA-N 1 3 358.530 2.464 20 0 FEADHO CC[C@H](CNC(=O)NCCC1=CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000417016224 559343914 /nfs/dbraw/zinc/34/39/14/559343914.db2.gz OBNHAMFGPLLEFI-HXUWFJFHSA-N 1 3 356.514 2.432 20 0 FEADHO C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C[C@H]1C[NH3+] ZINC000417089395 559347266 /nfs/dbraw/zinc/34/72/66/559347266.db2.gz OTBVDFLWHKZHOJ-VQIMIIECSA-N 1 3 358.530 2.450 20 0 FEADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417120459 559348901 /nfs/dbraw/zinc/34/89/01/559348901.db2.gz VHLVFGVNEGRHJS-JKSUJKDBSA-N 1 3 354.564 2.165 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417203205 559352830 /nfs/dbraw/zinc/35/28/30/559352830.db2.gz YMNWOFCSRHZBIF-IBGZPJMESA-N 1 3 358.530 2.335 20 0 FEADHO C[NH2+]C[C@@H](C)CNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000417328498 559357725 /nfs/dbraw/zinc/35/77/25/559357725.db2.gz IKWONNBIAUPCII-MRXNPFEDSA-N 1 3 362.518 2.062 20 0 FEADHO COc1ccc(C[NH+]2CCC(CNC(=O)N3C[C@@H](C)NC[C@H]3C)CC2)cc1 ZINC000417335890 559358187 /nfs/dbraw/zinc/35/81/87/559358187.db2.gz UJPLWNAULLHEJR-IAGOWNOFSA-N 1 3 374.529 2.299 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000417514664 559365586 /nfs/dbraw/zinc/36/55/86/559365586.db2.gz JXIRCIZUOFVVFM-ICSRJNTNSA-N 1 3 362.518 2.076 20 0 FEADHO O=C(NCCC[NH2+]C1CC1)NCC1(N2CCSCC2)CCCCC1 ZINC000417622604 559369447 /nfs/dbraw/zinc/36/94/47/559369447.db2.gz HQTAHIQTOHDYBY-UHFFFAOYSA-N 1 3 354.564 2.179 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000417670654 559371704 /nfs/dbraw/zinc/37/17/04/559371704.db2.gz OQHRLSMZRFDNNC-JXFKEZNVSA-N 1 3 374.529 2.226 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2ccc3c(c2)CNC3)[C@@H](C)C1 ZINC000417670654 559371705 /nfs/dbraw/zinc/37/17/05/559371705.db2.gz OQHRLSMZRFDNNC-JXFKEZNVSA-N 1 3 374.529 2.226 20 0 FEADHO CO[C@@H]1CCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000417689523 559372633 /nfs/dbraw/zinc/37/26/33/559372633.db2.gz KDFQUGFYHRPECW-LSTHTHJFSA-N 1 3 374.529 2.360 20 0 FEADHO CN1CCC[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)[C@@H]1c1cccs1 ZINC000417734772 559374550 /nfs/dbraw/zinc/37/45/50/559374550.db2.gz KIKUBIRMGOCYNW-YRGRVCCFSA-N 1 3 360.474 2.413 20 0 FEADHO CN1CC[C@H](NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)[C@@H]1c1ccccc1 ZINC000417938312 559382755 /nfs/dbraw/zinc/38/27/55/559382755.db2.gz JKANWUMZLMERBZ-AABGKKOBSA-N 1 3 356.514 2.463 20 0 FEADHO C[C@@H]1CN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)CN1 ZINC000417975184 559384651 /nfs/dbraw/zinc/38/46/51/559384651.db2.gz DMGMHOMZKFVRDQ-QZTJIDSGSA-N 1 3 374.529 2.096 20 0 FEADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418153539 559391988 /nfs/dbraw/zinc/39/19/88/559391988.db2.gz IYUSIORFUXYDCD-CEXWTWQISA-N 1 3 356.514 2.290 20 0 FEADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000418177987 559393015 /nfs/dbraw/zinc/39/30/15/559393015.db2.gz YFRSEXBCQYCZPS-AEFFLSMTSA-N 1 3 374.529 2.428 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)N(C)C)cc1 ZINC000418179712 559393235 /nfs/dbraw/zinc/39/32/35/559393235.db2.gz ARYMXOREWASDJL-JTDSTZFVSA-N 1 3 362.518 2.468 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2C[C@@H](C)NC[C@@H]2C)[NH+](C)C)cc1 ZINC000418179712 559393236 /nfs/dbraw/zinc/39/32/36/559393236.db2.gz ARYMXOREWASDJL-JTDSTZFVSA-N 1 3 362.518 2.468 20 0 FEADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418194830 559393697 /nfs/dbraw/zinc/39/36/97/559393697.db2.gz FSRUXTMQVAWHRT-PKOBYXMFSA-N 1 3 362.518 2.470 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)N(C)C)cc1 ZINC000418233060 559394804 /nfs/dbraw/zinc/39/48/04/559394804.db2.gz NVRLWOUYDXBFTC-CABCVRRESA-N 1 3 372.485 2.308 20 0 FEADHO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCCN(CCCc2ccccc2)CC1 ZINC000418320002 559397293 /nfs/dbraw/zinc/39/72/93/559397293.db2.gz PPORSVYOTMTBFX-HXUWFJFHSA-N 1 3 358.530 2.336 20 0 FEADHO O=C(NCCCNCc1cccnc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000418324895 559397499 /nfs/dbraw/zinc/39/74/99/559397499.db2.gz HUJKZQSOFAXNAP-UHFFFAOYSA-N 1 3 359.518 2.221 20 0 FEADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000418332672 559397966 /nfs/dbraw/zinc/39/79/66/559397966.db2.gz DLEABCUVLMLMTO-DOTOQJQBSA-N 1 3 350.482 2.287 20 0 FEADHO CN1CCN(CCC(C)(C)NC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000418444125 559401933 /nfs/dbraw/zinc/40/19/33/559401933.db2.gz AUAXOJQRNKJEHG-UHFFFAOYSA-N 1 3 367.582 2.014 20 0 FEADHO COCCN(CCN(C)C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418503154 559404089 /nfs/dbraw/zinc/40/40/89/559404089.db2.gz WYMXGDXGPLBSJE-IBGZPJMESA-N 1 3 358.486 2.059 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418516189 559404610 /nfs/dbraw/zinc/40/46/10/559404610.db2.gz JGXNBCPGXABQAH-IBGZPJMESA-N 1 3 373.545 2.467 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418553406 559406038 /nfs/dbraw/zinc/40/60/38/559406038.db2.gz COMAIPRTIYCNAU-LMNJBCLMSA-N 1 3 356.514 2.292 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418604937 559407532 /nfs/dbraw/zinc/40/75/32/559407532.db2.gz YCSFOKIVTYLLIR-SLYNCCJLSA-N 1 3 356.514 2.292 20 0 FEADHO O=C(NC[C@H]1NCCc2ccccc21)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418637625 559408837 /nfs/dbraw/zinc/40/88/37/559408837.db2.gz NRVZQWHNVWZGNW-WOJBJXKFSA-N 1 3 350.466 2.060 20 0 FEADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000418648674 559409517 /nfs/dbraw/zinc/40/95/17/559409517.db2.gz ICJLOKVMRDSFEA-FQEVSTJZSA-N 1 3 374.529 2.003 20 0 FEADHO COC[C@]1(CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000418661260 559410291 /nfs/dbraw/zinc/41/02/91/559410291.db2.gz YYECWXPNJYOSDK-TZIWHRDSSA-N 1 3 374.529 2.061 20 0 FEADHO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCC[C@@H]1CN1CCCCC1 ZINC000418691764 559411440 /nfs/dbraw/zinc/41/14/40/559411440.db2.gz ZAXNUZGDPGJQLO-HSALFYBXSA-N 1 3 356.514 2.402 20 0 FEADHO CN(C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCN(C2CC2)C1 ZINC000418727354 559412649 /nfs/dbraw/zinc/41/26/49/559412649.db2.gz MPNDAQFYJCPQKU-FFZOFVMBSA-N 1 3 374.504 2.397 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418796103 559416405 /nfs/dbraw/zinc/41/64/05/559416405.db2.gz SVOMFAOCFHMKNC-CJNGLKHVSA-N 1 3 354.445 2.165 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418807023 559416868 /nfs/dbraw/zinc/41/68/68/559416868.db2.gz YTXDFSMJEHHJQK-KBAYOESNSA-N 1 3 362.493 2.287 20 0 FEADHO [NH3+]C[C@@H]1CN(CCCc2nc(-c3ccccc3)no2)CC12CCOCC2 ZINC000420335425 559481417 /nfs/dbraw/zinc/48/14/17/559481417.db2.gz UWZJGXZOAOVUNA-QGZVFWFLSA-N 1 3 356.470 2.357 20 0 FEADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCC(Cc2ccccc2)CC1 ZINC000420346405 559482285 /nfs/dbraw/zinc/48/22/85/559482285.db2.gz WVWQEEJERDKCRZ-OYRHEFFESA-N 1 3 355.526 2.399 20 0 FEADHO O=C1N[C@@H]2CN(C[C@H]3CCCC(F)(F)C3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420401861 559485753 /nfs/dbraw/zinc/48/57/53/559485753.db2.gz LHTVUXXZCHWJJE-NUEKZKHPSA-N 1 3 356.461 2.032 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CC[NH2+]C[C@@H]1c1ccccc1)c1ccccc1 ZINC000420416278 559486701 /nfs/dbraw/zinc/48/67/01/559486701.db2.gz VRJGCXJGNSMADL-NHCUHLMSSA-N 1 3 366.509 2.052 20 0 FEADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)C(=O)N3CCCCCC3)CC2)CC1 ZINC000420973480 559515794 /nfs/dbraw/zinc/51/57/94/559515794.db2.gz COKHYCKQDLMLHT-IBGZPJMESA-N 1 3 364.578 2.270 20 0 FEADHO CCN1CCC([N@H+]2CCCN([C@@H](C)C(=O)N3CCCCCC3)CC2)CC1 ZINC000420973480 559515795 /nfs/dbraw/zinc/51/57/95/559515795.db2.gz COKHYCKQDLMLHT-IBGZPJMESA-N 1 3 364.578 2.270 20 0 FEADHO COc1cc(Cl)ccc1[C@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000421832756 559554734 /nfs/dbraw/zinc/55/47/34/559554734.db2.gz MZBLYCBKMIVCAJ-INIZCTEOSA-N 1 3 369.937 2.389 20 0 FEADHO CC[NH+]1CCC(N2CCCN(C(=O)[C@H](C)N3CCCCCC3)CC2)CC1 ZINC000422021464 559561024 /nfs/dbraw/zinc/56/10/24/559561024.db2.gz NOLAWYBPTPBHHU-IBGZPJMESA-N 1 3 364.578 2.270 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)C[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000422037833 559562153 /nfs/dbraw/zinc/56/21/53/559562153.db2.gz PODQIPXIAYPSJR-HXUWFJFHSA-N 1 3 358.530 2.060 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)C[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000422037833 559562154 /nfs/dbraw/zinc/56/21/54/559562154.db2.gz PODQIPXIAYPSJR-HXUWFJFHSA-N 1 3 358.530 2.060 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000422780880 559606313 /nfs/dbraw/zinc/60/63/13/559606313.db2.gz KYKJREOTMGHISB-FZDIXFNVSA-N 1 3 367.921 2.055 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2cn3cc(Cl)ccc3n2)CC[NH2+]CC1 ZINC000422818159 559607402 /nfs/dbraw/zinc/60/74/02/559607402.db2.gz JKHDAZDETTWJIZ-ZDUSSCGKSA-N 1 3 364.877 2.399 20 0 FEADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422831972 559607844 /nfs/dbraw/zinc/60/78/44/559607844.db2.gz XBUHXOASQBVTRL-VNHYZAJKSA-N 1 3 369.893 2.328 20 0 FEADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000422831972 559607845 /nfs/dbraw/zinc/60/78/45/559607845.db2.gz XBUHXOASQBVTRL-VNHYZAJKSA-N 1 3 369.893 2.328 20 0 FEADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422831587 559607899 /nfs/dbraw/zinc/60/78/99/559607899.db2.gz WTKWLJJHKKYZCF-IACUBPJLSA-N 1 3 355.866 2.019 20 0 FEADHO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000422831587 559607900 /nfs/dbraw/zinc/60/79/00/559607900.db2.gz WTKWLJJHKKYZCF-IACUBPJLSA-N 1 3 355.866 2.019 20 0 FEADHO CCN1CCN(CCCCN[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422856838 559608781 /nfs/dbraw/zinc/60/87/81/559608781.db2.gz GRWXMNSUXSYTPJ-FGZHOGPDSA-N 1 3 374.573 2.496 20 0 FEADHO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000422889650 559610096 /nfs/dbraw/zinc/61/00/96/559610096.db2.gz QAUZKFWRNNOIOJ-ZTRFORPCSA-N 1 3 359.514 2.026 20 0 FEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000422909629 559610685 /nfs/dbraw/zinc/61/06/85/559610685.db2.gz GMFFHIFPWVRNHG-YLJYHZDGSA-N 1 3 360.546 2.378 20 0 FEADHO [NH3+][C@H]1CCCCC[C@H]1NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000422911584 559610858 /nfs/dbraw/zinc/61/08/58/559610858.db2.gz LCOXBGUVKFUCGI-VQTJNVASSA-N 1 3 358.530 2.262 20 0 FEADHO CCOC(=O)C1([C@@H](C)N[C@@H](COC)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000422920101 559611429 /nfs/dbraw/zinc/61/14/29/559611429.db2.gz LTJRRQSOENWZSY-PBHICJAKSA-N 1 3 352.450 2.424 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000423020720 559615285 /nfs/dbraw/zinc/61/52/85/559615285.db2.gz CTFFEZFGSWXSFJ-KSZLIROESA-N 1 3 355.910 2.055 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000423054019 559616798 /nfs/dbraw/zinc/61/67/98/559616798.db2.gz TZTRHIRWXNULPX-LSDHHAIUSA-N 1 3 373.419 2.150 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000423125746 559620148 /nfs/dbraw/zinc/62/01/48/559620148.db2.gz ABTPREHTLQYRFR-VKJFTORMSA-N 1 3 351.466 2.221 20 0 FEADHO COc1ccc(C[C@H](CO)CN[C@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000423162776 559621555 /nfs/dbraw/zinc/62/15/55/559621555.db2.gz QBSACRDHHOIYTB-BZPMIXESSA-N 1 3 359.308 2.324 20 0 FEADHO COc1ccc(C[C@H](CO)C[NH2+][C@H](C)C[C@@H](C)N)cc1Br ZINC000423162776 559621556 /nfs/dbraw/zinc/62/15/56/559621556.db2.gz QBSACRDHHOIYTB-BZPMIXESSA-N 1 3 359.308 2.324 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@H](C)C[C@H](C)[NH3+] ZINC000423165662 559621731 /nfs/dbraw/zinc/62/17/31/559621731.db2.gz UQHHDGZDVQNSRA-XQQFMLRXSA-N 1 3 359.308 2.324 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)C[C@H](C)N ZINC000423165662 559621732 /nfs/dbraw/zinc/62/17/32/559621732.db2.gz UQHHDGZDVQNSRA-XQQFMLRXSA-N 1 3 359.308 2.324 20 0 FEADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(N2CCCS2(=O)=O)c1 ZINC000423276195 559624392 /nfs/dbraw/zinc/62/43/92/559624392.db2.gz MPQKADKXRCBJGY-YXJHDRRASA-N 1 3 351.516 2.395 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H](C)CCN2)cc1 ZINC000423300154 559624717 /nfs/dbraw/zinc/62/47/17/559624717.db2.gz QZCPSXNRHPKPBN-MAUKXSAKSA-N 1 3 360.502 2.085 20 0 FEADHO CC[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C(=O)OC)cc1 ZINC000423393644 559627580 /nfs/dbraw/zinc/62/75/80/559627580.db2.gz PKRWRPCBYPXTSE-HOTGVXAUSA-N 1 3 373.419 2.350 20 0 FEADHO CC[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C(=O)OC)cc1 ZINC000423393645 559627646 /nfs/dbraw/zinc/62/76/46/559627646.db2.gz PKRWRPCBYPXTSE-HZPDHXFCSA-N 1 3 373.419 2.350 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CCOCC1)c1ccccc1 ZINC000423422270 559628670 /nfs/dbraw/zinc/62/86/70/559628670.db2.gz KHSXGHBCNNBAPL-YQVWRLOYSA-N 1 3 359.514 2.391 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423636303 559634609 /nfs/dbraw/zinc/63/46/09/559634609.db2.gz GAHNXCOCLHBEHD-GOSISDBHSA-N 1 3 373.476 2.151 20 0 FEADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000423840454 559642261 /nfs/dbraw/zinc/64/22/61/559642261.db2.gz DZBJWAVZBSZZPO-SBHAEUEKSA-N 1 3 359.514 2.301 20 0 FEADHO C[C@H]1CC2(CN1CC(=O)NCCCOC1CCCCC1)CC[NH2+]CC2 ZINC000424297569 559661012 /nfs/dbraw/zinc/66/10/12/559661012.db2.gz SXWZHBKXGIBZEU-KRWDZBQOSA-N 1 3 351.535 2.306 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1 ZINC000424460876 559666146 /nfs/dbraw/zinc/66/61/46/559666146.db2.gz ZDYCZGPGUOPDJJ-INIZCTEOSA-N 1 3 368.481 2.029 20 0 FEADHO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424471242 559666605 /nfs/dbraw/zinc/66/66/05/559666605.db2.gz SAOKTPOUSDRNNC-WRTQPQOASA-N 1 3 368.525 2.290 20 0 FEADHO COc1cccc2c1CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C2 ZINC000426015702 559727708 /nfs/dbraw/zinc/72/77/08/559727708.db2.gz ICNUZRJWHOFUFB-MJGOQNOKSA-N 1 3 361.530 2.235 20 0 FEADHO CN1CCN(CCCNC(=O)C[C@@H]2CCC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000427291298 559752375 /nfs/dbraw/zinc/75/23/75/559752375.db2.gz FDPICEIRFBHVSF-CTNGQTDRSA-N 1 3 372.557 2.261 20 0 FEADHO COc1ccc([C@H]2CCCN2C(=O)CN2CCC(C[NH3+])CC2)cc1OC ZINC000430606918 559824658 /nfs/dbraw/zinc/82/46/58/559824658.db2.gz XPPBEEIQABWSGZ-QGZVFWFLSA-N 1 3 361.486 2.038 20 0 FEADHO COCC[C@]1(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CC[NH2+]C1 ZINC000430809627 559828503 /nfs/dbraw/zinc/82/85/03/559828503.db2.gz IELWFPZNVMUZJI-SZVBFZGTSA-N 1 3 365.543 2.263 20 0 FEADHO CN(C)[C@H](CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000431785877 559845987 /nfs/dbraw/zinc/84/59/87/559845987.db2.gz QHSKKKQLUXKCII-YLJYHZDGSA-N 1 3 359.514 2.297 20 0 FEADHO CC[C@@]1(O)CCN(Cc2cc(C[N@@H+]3CC[C@](O)(CC)C3)cc(OC)c2)C1 ZINC000432792414 559865008 /nfs/dbraw/zinc/86/50/08/559865008.db2.gz KPDMLORALBRIOD-NHCUHLMSSA-N 1 3 362.514 2.389 20 0 FEADHO CC[C@@]1(O)CCN(Cc2cc(C[N@H+]3CC[C@](O)(CC)C3)cc(OC)c2)C1 ZINC000432792414 559865009 /nfs/dbraw/zinc/86/50/09/559865009.db2.gz KPDMLORALBRIOD-NHCUHLMSSA-N 1 3 362.514 2.389 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCCO1 ZINC000433290536 559875989 /nfs/dbraw/zinc/87/59/89/559875989.db2.gz XFLICDUECLTDKP-MJGOQNOKSA-N 1 3 368.566 2.297 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433399652 559880063 /nfs/dbraw/zinc/88/00/63/559880063.db2.gz KBZBMIYUYYUAQO-MOPGFXCFSA-N 1 3 368.566 2.155 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433399652 559880064 /nfs/dbraw/zinc/88/00/64/559880064.db2.gz KBZBMIYUYYUAQO-MOPGFXCFSA-N 1 3 368.566 2.155 20 0 FEADHO CC[NH+](CC)CC1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000433461815 559882068 /nfs/dbraw/zinc/88/20/68/559882068.db2.gz GLESEXABBIWSCK-SFHVURJKSA-N 1 3 368.566 2.251 20 0 FEADHO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000433878027 559889402 /nfs/dbraw/zinc/88/94/02/559889402.db2.gz OKYCENVCEHGDER-QGZVFWFLSA-N 1 3 353.532 2.101 20 0 FEADHO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H](C)N3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000434430691 559900269 /nfs/dbraw/zinc/90/02/69/559900269.db2.gz BKWAPSVQLKJPBX-FHWLQOOXSA-N 1 3 364.578 2.265 20 0 FEADHO CN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435619931 559926547 /nfs/dbraw/zinc/92/65/47/559926547.db2.gz XPYSBYUMSCODKB-QGZVFWFLSA-N 1 3 358.486 2.216 20 0 FEADHO CC(C)[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccnc1 ZINC000435683170 559927899 /nfs/dbraw/zinc/92/78/99/559927899.db2.gz POWMNQUHNNFPKT-FQEVSTJZSA-N 1 3 358.530 2.496 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1ccccc1 ZINC000436298535 559939298 /nfs/dbraw/zinc/93/92/98/559939298.db2.gz CIQRONXNSLCTFW-SFHLNBCPSA-N 1 3 359.514 2.202 20 0 FEADHO C[NH+](C)[C@@H](CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)Cc1ccccc1 ZINC000438883772 559984979 /nfs/dbraw/zinc/98/49/79/559984979.db2.gz ODSFKTARWFDZBN-QUCCMNQESA-N 1 3 364.493 2.327 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000440283158 560008058 /nfs/dbraw/zinc/00/80/58/560008058.db2.gz OMPOLNJMHPNADC-RBUKOAKNSA-N 1 3 351.535 2.353 20 0 FEADHO Cc1nc(COc2ccc(C[NH2+]CCN3CCN(C)C(C)(C)C3)cc2)no1 ZINC000441382789 560030641 /nfs/dbraw/zinc/03/06/41/560030641.db2.gz VAZMXJZBANXLSZ-UHFFFAOYSA-N 1 3 373.501 2.073 20 0 FEADHO C[C@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000443332384 560080567 /nfs/dbraw/zinc/08/05/67/560080567.db2.gz XTXZRCCNSZQOSY-LQWHRVPQSA-N 1 3 373.541 2.380 20 0 FEADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444268446 560107438 /nfs/dbraw/zinc/10/74/38/560107438.db2.gz JTSUKJBRCFFVBT-FPOVZHCZSA-N 1 3 354.498 2.157 20 0 FEADHO C[C@@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)N1CCCC[C@H]1C ZINC000445545952 560132846 /nfs/dbraw/zinc/13/28/46/560132846.db2.gz BMFUQYAOEWHHMG-SJORKVTESA-N 1 3 374.529 2.108 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCN(c4ccccc4)C3)CC2)CC1 ZINC000448836729 560201599 /nfs/dbraw/zinc/20/15/99/560201599.db2.gz QJRHFTKTUNQASX-SFHVURJKSA-N 1 3 370.541 2.188 20 0 FEADHO COc1ccc(CNC(=O)CC[N@@H+]2CCC[C@H](N(C)C)CC2)c(OC)c1 ZINC000450858555 560275916 /nfs/dbraw/zinc/27/59/16/560275916.db2.gz SZYQVAWSLLOTMO-KRWDZBQOSA-N 1 3 363.502 2.126 20 0 FEADHO COc1ccc(CNC(=O)CC[N@H+]2CCC[C@H](N(C)C)CC2)c(OC)c1 ZINC000450858555 560275917 /nfs/dbraw/zinc/27/59/17/560275917.db2.gz SZYQVAWSLLOTMO-KRWDZBQOSA-N 1 3 363.502 2.126 20 0 FEADHO C[C@@H]1[C@H](CO)CCN1Cc1cc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)ccc1F ZINC000450883340 560276595 /nfs/dbraw/zinc/27/65/95/560276595.db2.gz PTYUYGBKKRKYHH-LMSBXDPUSA-N 1 3 350.478 2.231 20 0 FEADHO C[C@@H]1[C@H](CO)CCN1Cc1cc(C[N@H+]2CC[C@@H](CO)[C@H]2C)ccc1F ZINC000450883340 560276596 /nfs/dbraw/zinc/27/65/96/560276596.db2.gz PTYUYGBKKRKYHH-LMSBXDPUSA-N 1 3 350.478 2.231 20 0 FEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000452343526 560358722 /nfs/dbraw/zinc/35/87/22/560358722.db2.gz LHNGDTHKCKZCQC-SFHVURJKSA-N 1 3 362.518 2.262 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000455649978 560490442 /nfs/dbraw/zinc/49/04/42/560490442.db2.gz SLNKCLNMNHPGLG-QGZVFWFLSA-N 1 3 362.522 2.363 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000455649978 560490443 /nfs/dbraw/zinc/49/04/43/560490443.db2.gz SLNKCLNMNHPGLG-QGZVFWFLSA-N 1 3 362.522 2.363 20 0 FEADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455843271 560497195 /nfs/dbraw/zinc/49/71/95/560497195.db2.gz GDXCFHYEDFAASF-ZMYBRWDISA-N 1 3 360.502 2.154 20 0 FEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000457105447 560549003 /nfs/dbraw/zinc/54/90/03/560549003.db2.gz CKKCWUMKRRCMMB-FQEVSTJZSA-N 1 3 358.530 2.140 20 0 FEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000457105447 560549004 /nfs/dbraw/zinc/54/90/04/560549004.db2.gz CKKCWUMKRRCMMB-FQEVSTJZSA-N 1 3 358.530 2.140 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458116162 560603814 /nfs/dbraw/zinc/60/38/14/560603814.db2.gz SXGVGGKQMIREDA-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO CCn1cc([C@H](C)NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cn1 ZINC000459120859 560667975 /nfs/dbraw/zinc/66/79/75/560667975.db2.gz ZSUSPHSSEDRIBS-FUHWJXTLSA-N 1 3 364.538 2.022 20 0 FEADHO CCn1cc([C@H](C)NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cn1 ZINC000459120859 560667976 /nfs/dbraw/zinc/66/79/76/560667976.db2.gz ZSUSPHSSEDRIBS-FUHWJXTLSA-N 1 3 364.538 2.022 20 0 FEADHO COCCOc1cc2c(cc1CNCC[C@H]1CCC[N@H+](C)C1)OCO2 ZINC000459741038 560705446 /nfs/dbraw/zinc/70/54/46/560705446.db2.gz UXVRIIRQFHBNOD-OAHLLOKOSA-N 1 3 350.459 2.262 20 0 FEADHO COCCOc1cc2c(cc1CNCC[C@H]1CCC[N@@H+](C)C1)OCO2 ZINC000459741038 560705449 /nfs/dbraw/zinc/70/54/49/560705449.db2.gz UXVRIIRQFHBNOD-OAHLLOKOSA-N 1 3 350.459 2.262 20 0 FEADHO CSC1(CNC(=O)NCC[N@H+](C)C2CCCCC2)CCN(C)CC1 ZINC000460160377 560736834 /nfs/dbraw/zinc/73/68/34/560736834.db2.gz DRBUIKGOGWGBLY-UHFFFAOYSA-N 1 3 356.580 2.378 20 0 FEADHO CSC1(CNC(=O)NCC[N@@H+](C)C2CCCCC2)CCN(C)CC1 ZINC000460160377 560736835 /nfs/dbraw/zinc/73/68/35/560736835.db2.gz DRBUIKGOGWGBLY-UHFFFAOYSA-N 1 3 356.580 2.378 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000462185153 560800542 /nfs/dbraw/zinc/80/05/42/560800542.db2.gz YIVIFCHOTVGWIU-BTHPGYMESA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000462185153 560800543 /nfs/dbraw/zinc/80/05/43/560800543.db2.gz YIVIFCHOTVGWIU-BTHPGYMESA-N 1 3 356.514 2.433 20 0 FEADHO O=C(CN1CCC[C@H]2COCC[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000464860661 560854002 /nfs/dbraw/zinc/85/40/02/560854002.db2.gz ZSYKDYRCLNUMJD-SFTDATJTSA-N 1 3 371.525 2.400 20 0 FEADHO CCCN(CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000464883097 560854437 /nfs/dbraw/zinc/85/44/37/560854437.db2.gz MXZJMGLFCNCSFO-UHOSZYNNSA-N 1 3 351.535 2.112 20 0 FEADHO COCCCN(C)CCNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000465750237 560872052 /nfs/dbraw/zinc/87/20/52/560872052.db2.gz IMXLJXCRBDWKDY-CALCHBBNSA-N 1 3 356.555 2.010 20 0 FEADHO COCCCN(C)CCNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000465750237 560872054 /nfs/dbraw/zinc/87/20/54/560872054.db2.gz IMXLJXCRBDWKDY-CALCHBBNSA-N 1 3 356.555 2.010 20 0 FEADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000466021061 560877946 /nfs/dbraw/zinc/87/79/46/560877946.db2.gz KAOXCLKCPNLNRO-MOPGFXCFSA-N 1 3 356.514 2.387 20 0 FEADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000466021061 560877947 /nfs/dbraw/zinc/87/79/47/560877947.db2.gz KAOXCLKCPNLNRO-MOPGFXCFSA-N 1 3 356.514 2.387 20 0 FEADHO COCCN1CCC(Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)CC1 ZINC000468047894 560921595 /nfs/dbraw/zinc/92/15/95/560921595.db2.gz CWCUWFHNKMYESE-UHFFFAOYSA-N 1 3 362.518 2.408 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)C[C@H]1C ZINC000469678403 560961518 /nfs/dbraw/zinc/96/15/18/560961518.db2.gz WDRUBSUOXTZUIH-QZTJIDSGSA-N 1 3 351.535 2.353 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)C[C@H]1C ZINC000469678403 560961519 /nfs/dbraw/zinc/96/15/19/560961519.db2.gz WDRUBSUOXTZUIH-QZTJIDSGSA-N 1 3 351.535 2.353 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000469696970 560961766 /nfs/dbraw/zinc/96/17/66/560961766.db2.gz BQJSLTAUGJXFFU-MOPGFXCFSA-N 1 3 358.530 2.106 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000469696970 560961767 /nfs/dbraw/zinc/96/17/67/560961767.db2.gz BQJSLTAUGJXFFU-MOPGFXCFSA-N 1 3 358.530 2.106 20 0 FEADHO Cc1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc(C)c1OC(F)F ZINC000470002439 560971600 /nfs/dbraw/zinc/97/16/00/560971600.db2.gz FWMGORMQCQKZTL-HNNXBMFYSA-N 1 3 355.429 2.192 20 0 FEADHO C[C@@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)N1CCCCCC1 ZINC000470118427 560974662 /nfs/dbraw/zinc/97/46/62/560974662.db2.gz XYJWEMBDYOTOCN-SFHVURJKSA-N 1 3 351.535 2.354 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)cc1 ZINC000471022409 560996492 /nfs/dbraw/zinc/99/64/92/560996492.db2.gz NAOXUBUEWUAVSH-UHFFFAOYSA-N 1 3 360.502 2.021 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000472182464 561020432 /nfs/dbraw/zinc/02/04/32/561020432.db2.gz NJZJJOMGIIGHDO-OALUTQOASA-N 1 3 353.551 2.456 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)C1 ZINC000472969925 561039024 /nfs/dbraw/zinc/03/90/24/561039024.db2.gz SMENDRWVWJAUSS-CEXWTWQISA-N 1 3 368.566 2.249 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)C1 ZINC000473039592 561040839 /nfs/dbraw/zinc/04/08/39/561040839.db2.gz WUNYRTWXTSSWMF-GBESFXJTSA-N 1 3 368.566 2.249 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000528286641 562320861 /nfs/dbraw/zinc/32/08/61/562320861.db2.gz GSHOZEUUMYYOHT-RBUKOAKNSA-N 1 3 366.550 2.146 20 0 FEADHO c1ccc(-c2noc(CCN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000530242467 562403778 /nfs/dbraw/zinc/40/37/78/562403778.db2.gz STZJEVVPONHYDI-GOSISDBHSA-N 1 3 356.470 2.370 20 0 FEADHO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000530826381 562425392 /nfs/dbraw/zinc/42/53/92/562425392.db2.gz DLBAVPYPGRKTEV-NQIIRXRSSA-N 1 3 359.514 2.004 20 0 FEADHO C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000530826381 562425393 /nfs/dbraw/zinc/42/53/93/562425393.db2.gz DLBAVPYPGRKTEV-NQIIRXRSSA-N 1 3 359.514 2.004 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000530992812 562431077 /nfs/dbraw/zinc/43/10/77/562431077.db2.gz SJGDAFZKCWHDKW-LSDHHAIUSA-N 1 3 366.472 2.490 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531043535 562432685 /nfs/dbraw/zinc/43/26/85/562432685.db2.gz OCCBJNVRJIEOMW-GHTZIAJQSA-N 1 3 359.514 2.004 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531043535 562432686 /nfs/dbraw/zinc/43/26/86/562432686.db2.gz OCCBJNVRJIEOMW-GHTZIAJQSA-N 1 3 359.514 2.004 20 0 FEADHO Cc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1Br ZINC000531357654 562443168 /nfs/dbraw/zinc/44/31/68/562443168.db2.gz PQBQKMLHFQMXNZ-UHFFFAOYSA-N 1 3 356.308 2.323 20 0 FEADHO Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)n(C2CCN(C)CC2)n1 ZINC000531426405 562445495 /nfs/dbraw/zinc/44/54/95/562445495.db2.gz XYNKOXHNESJNBQ-WBVHZDCISA-N 1 3 362.522 2.405 20 0 FEADHO Cc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)n(C2CCN(C)CC2)n1 ZINC000531426405 562445496 /nfs/dbraw/zinc/44/54/96/562445496.db2.gz XYNKOXHNESJNBQ-WBVHZDCISA-N 1 3 362.522 2.405 20 0 FEADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000531976841 562463068 /nfs/dbraw/zinc/46/30/68/562463068.db2.gz YNJAGBIKVFXEPL-AWEZNQCLSA-N 1 3 353.894 2.412 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](c3cccnc3)C3CC3)CC2)CC1 ZINC000534610196 562538132 /nfs/dbraw/zinc/53/81/32/562538132.db2.gz IORTYBGKJRDNBC-HXUWFJFHSA-N 1 3 371.529 2.391 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)OC)n2C)[C@@H](C)C1 ZINC000602007413 567906601 /nfs/dbraw/zinc/90/66/01/567906601.db2.gz PCEINMFJDAHANK-DOTOQJQBSA-N 1 3 351.491 2.038 20 0 FEADHO O=C(NC[C@@H]1CCCN(CCSc2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000327117282 568100039 /nfs/dbraw/zinc/10/00/39/568100039.db2.gz IAJJRJPSRYCVJT-YJBOKZPZSA-N 1 3 365.518 2.498 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000623072328 568245696 /nfs/dbraw/zinc/24/56/96/568245696.db2.gz YPDAOBYNRRZSLY-RBUKOAKNSA-N 1 3 360.502 2.498 20 0 FEADHO COC1CCC(N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000604648055 568336017 /nfs/dbraw/zinc/33/60/17/568336017.db2.gz NVYJKBVSFSHYTJ-UHFFFAOYSA-N 1 3 366.550 2.144 20 0 FEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637104822 568391083 /nfs/dbraw/zinc/39/10/83/568391083.db2.gz WIOJFKFYUZNEGF-QGZVFWFLSA-N 1 3 362.522 2.392 20 0 FEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637152291 568459896 /nfs/dbraw/zinc/45/98/96/568459896.db2.gz PFBKBLXJSQUCOW-HNNXBMFYSA-N 1 3 350.511 2.392 20 0 FEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637152291 568459898 /nfs/dbraw/zinc/45/98/98/568459898.db2.gz PFBKBLXJSQUCOW-HNNXBMFYSA-N 1 3 350.511 2.392 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cscn3)CC2)CC1 ZINC000557570204 674454517 /nfs/dbraw/zinc/45/45/17/674454517.db2.gz MDTLJCMNBANKKC-UHFFFAOYSA-N 1 3 350.532 2.298 20 0 FEADHO CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC)c(-c3nnn[n-]3)c2)CC1 ZINC000825413234 607486523 /nfs/dbraw/zinc/48/65/23/607486523.db2.gz YTPCHSSQRMSUPE-UHFFFAOYSA-N 1 3 358.490 2.429 20 0 FEADHO CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC000825413234 607486524 /nfs/dbraw/zinc/48/65/24/607486524.db2.gz YTPCHSSQRMSUPE-UHFFFAOYSA-N 1 3 358.490 2.429 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@@H]1[NH+]1CCCC1 ZINC000811033505 674574988 /nfs/dbraw/zinc/57/49/88/674574988.db2.gz BSOYUKYYEOIHGH-DAYGRLMNSA-N 1 3 357.539 2.237 20 0 FEADHO CC[C@H]1CO[C@H](C)CN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000563388610 674881400 /nfs/dbraw/zinc/88/14/00/674881400.db2.gz ZDAWVUATIWJDPR-AEFFLSMTSA-N 1 3 351.535 2.209 20 0 FEADHO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)COc1ccc(Cl)cc1 ZINC000563881470 674949588 /nfs/dbraw/zinc/94/95/88/674949588.db2.gz JGNNMKSWKLVTTE-QAPCUYQASA-N 1 3 368.905 2.170 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccns2)CC[N@@H+]1C ZINC001048526828 675009036 /nfs/dbraw/zinc/00/90/36/675009036.db2.gz BXQICMGDOIYYEM-XLKGFZLASA-N 1 3 362.543 2.343 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccns2)CC[N@H+]1C ZINC001048526828 675009037 /nfs/dbraw/zinc/00/90/37/675009037.db2.gz BXQICMGDOIYYEM-XLKGFZLASA-N 1 3 362.543 2.343 20 0 FEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000564528411 675031867 /nfs/dbraw/zinc/03/18/67/675031867.db2.gz SXJXINDZHUVZAY-QZTJIDSGSA-N 1 3 350.551 2.480 20 0 FEADHO Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H](n4cc(CN)nn4)C3)s2)cn1 ZINC000569573079 670580737 /nfs/dbraw/zinc/58/07/37/670580737.db2.gz WQRVUNQWCAQYKH-OAHLLOKOSA-N 1 3 357.487 2.036 20 0 FEADHO Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H](n4cc(CN)nn4)C3)s2)cn1 ZINC000569573079 670580739 /nfs/dbraw/zinc/58/07/39/670580739.db2.gz WQRVUNQWCAQYKH-OAHLLOKOSA-N 1 3 357.487 2.036 20 0 FEADHO CC[NH2+]CCCN[C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000579108171 671712581 /nfs/dbraw/zinc/71/25/81/671712581.db2.gz ARYOMZHWQKDYSV-SFHVURJKSA-N 1 3 366.937 2.168 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)[C@H](OC)C3CC3)CC2)CC1 ZINC000580094582 671782870 /nfs/dbraw/zinc/78/28/70/671782870.db2.gz PIATZTOJIXGGPI-BEFAXECRSA-N 1 3 351.535 2.112 20 0 FEADHO COc1ccc(C[C@@H](CO)C[NH2+]C2CCN(C(C)(C)C)CC2)cc1O ZINC000581575555 671912777 /nfs/dbraw/zinc/91/27/77/671912777.db2.gz VMPHPOQQIBASNB-MRXNPFEDSA-N 1 3 350.503 2.404 20 0 FEADHO COc1ccc(C[C@@H](CO)CNC2CC[NH+](C(C)(C)C)CC2)cc1O ZINC000581575555 671912779 /nfs/dbraw/zinc/91/27/79/671912779.db2.gz VMPHPOQQIBASNB-MRXNPFEDSA-N 1 3 350.503 2.404 20 0 FEADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)COc2ccc(Cl)cc2)CCCO1 ZINC000582900442 672045016 /nfs/dbraw/zinc/04/50/16/672045016.db2.gz OGJJKQZURKVDOF-DOTOQJQBSA-N 1 3 356.894 2.170 20 0 FEADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccc(Cl)cc2)CCCO1 ZINC000582900442 672045018 /nfs/dbraw/zinc/04/50/18/672045018.db2.gz OGJJKQZURKVDOF-DOTOQJQBSA-N 1 3 356.894 2.170 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC(C)(C)[C@H]3C)CC2)CC1 ZINC000583271680 672080012 /nfs/dbraw/zinc/08/00/12/672080012.db2.gz LTXMCQFLMBGZPD-MRXNPFEDSA-N 1 3 351.535 2.209 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(OCC3CCCCC3)CC2)C1 ZINC000584338681 672178000 /nfs/dbraw/zinc/17/80/00/672178000.db2.gz LCKJXJSRNYMMDI-SFHVURJKSA-N 1 3 351.535 2.245 20 0 FEADHO CC(C)(C)OC(=O)NC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCOCC1 ZINC000700313770 673056064 /nfs/dbraw/zinc/05/60/64/673056064.db2.gz PNZKBVCYMPNPCY-HOTGVXAUSA-N 1 3 353.507 2.277 20 0 FEADHO CC(C)(C)OC(=O)NC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCOCC1 ZINC000700313770 673056070 /nfs/dbraw/zinc/05/60/70/673056070.db2.gz PNZKBVCYMPNPCY-HOTGVXAUSA-N 1 3 353.507 2.277 20 0 FEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000390765598 673160263 /nfs/dbraw/zinc/16/02/63/673160263.db2.gz DWAZKNXAZPZCTA-RDJZCZTQSA-N 1 3 355.404 2.309 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418578405 673191753 /nfs/dbraw/zinc/19/17/53/673191753.db2.gz IZQCFAIXQGAZIA-GJZGRUSLSA-N 1 3 354.445 2.308 20 0 FEADHO CSCC[C@@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000595946125 673342802 /nfs/dbraw/zinc/34/28/02/673342802.db2.gz IZDFQQUPBTYPSD-QZTJIDSGSA-N 1 3 361.555 2.485 20 0 FEADHO CSCC[C@@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595946125 673342806 /nfs/dbraw/zinc/34/28/06/673342806.db2.gz IZDFQQUPBTYPSD-QZTJIDSGSA-N 1 3 361.555 2.485 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3CCCCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000566296371 675201837 /nfs/dbraw/zinc/20/18/37/675201837.db2.gz ISNBSZSDSUAJND-ZIFCJYIRSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(OC(F)F)cn1 ZINC000823536535 675559185 /nfs/dbraw/zinc/55/91/85/675559185.db2.gz GBAAQTIOZBRDJF-LBPRGKRZSA-N 1 3 359.421 2.077 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(OC(F)F)cn1 ZINC000823536535 675559187 /nfs/dbraw/zinc/55/91/87/675559187.db2.gz GBAAQTIOZBRDJF-LBPRGKRZSA-N 1 3 359.421 2.077 20 0 FEADHO Cc1cc(OCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1Cl ZINC000617503605 676288609 /nfs/dbraw/zinc/28/86/09/676288609.db2.gz QJXGSXPBTGNRGJ-HNNXBMFYSA-N 1 3 355.910 2.415 20 0 FEADHO Cc1cc(OCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1Cl ZINC000617503605 676288611 /nfs/dbraw/zinc/28/86/11/676288611.db2.gz QJXGSXPBTGNRGJ-HNNXBMFYSA-N 1 3 355.910 2.415 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000617505413 676288983 /nfs/dbraw/zinc/28/89/83/676288983.db2.gz BNQMAHYLJFLMPS-QRTARXTBSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000617505413 676288984 /nfs/dbraw/zinc/28/89/84/676288984.db2.gz BNQMAHYLJFLMPS-QRTARXTBSA-N 1 3 353.457 2.457 20 0 FEADHO C[N@@H+]1CCCC[C@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000624613896 676587494 /nfs/dbraw/zinc/58/74/94/676587494.db2.gz FJZKCZJHKXWITD-QGZVFWFLSA-N 1 3 368.591 2.379 20 0 FEADHO C[N@H+]1CCCC[C@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000624613896 676587495 /nfs/dbraw/zinc/58/74/95/676587495.db2.gz FJZKCZJHKXWITD-QGZVFWFLSA-N 1 3 368.591 2.379 20 0 FEADHO C[NH2+]CCOCCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000626922245 676728698 /nfs/dbraw/zinc/72/86/98/676728698.db2.gz SCYRUUSTSCMINS-INIZCTEOSA-N 1 3 368.547 2.056 20 0 FEADHO C[C@H]1C[C@@H](CCNS(=O)(=O)CCCN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000632137247 676977808 /nfs/dbraw/zinc/97/78/08/676977808.db2.gz IXLLZTWXGFPMJJ-PKOBYXMFSA-N 1 3 367.559 2.158 20 0 FEADHO C[C@H]1C[C@@H](CCNS(=O)(=O)CCCN(C)C)C[N@H+]1Cc1ccccc1 ZINC000632137247 676977809 /nfs/dbraw/zinc/97/78/09/676977809.db2.gz IXLLZTWXGFPMJJ-PKOBYXMFSA-N 1 3 367.559 2.158 20 0 FEADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2[nH]c(=O)oc2c1 ZINC000643530612 677227444 /nfs/dbraw/zinc/22/74/44/677227444.db2.gz YVQZCYUUXMPAAP-YGRLFVJLSA-N 1 3 358.364 2.020 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644159628 677238713 /nfs/dbraw/zinc/23/87/13/677238713.db2.gz ICCLNMMLALAUDT-WBVHZDCISA-N 1 3 351.441 2.354 20 0 FEADHO CCCN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCN(C)C1 ZINC000645178692 677255089 /nfs/dbraw/zinc/25/50/89/677255089.db2.gz SVWKAUAIJUEWGZ-QGZVFWFLSA-N 1 3 368.591 2.474 20 0 FEADHO CCCN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CCN(C)C1 ZINC000645178691 677255132 /nfs/dbraw/zinc/25/51/32/677255132.db2.gz SVWKAUAIJUEWGZ-KRWDZBQOSA-N 1 3 368.591 2.474 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC[C@H]3CCOC3)CC2)CC1 ZINC000655137257 677624589 /nfs/dbraw/zinc/62/45/89/677624589.db2.gz PYUIUJGDAMKEQI-KRWDZBQOSA-N 1 3 351.535 2.116 20 0 FEADHO CC[C@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)[C@H](C)CO1 ZINC000655161993 677626477 /nfs/dbraw/zinc/62/64/77/677626477.db2.gz ATCVSDXSCIKIJU-APWZRJJASA-N 1 3 351.535 2.209 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655912860 677672192 /nfs/dbraw/zinc/67/21/92/677672192.db2.gz RMYKVKAYFRDRQF-OAHLLOKOSA-N 1 3 358.408 2.102 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000657160248 677966235 /nfs/dbraw/zinc/96/62/35/677966235.db2.gz DQKMPFALLIVXFE-QGZVFWFLSA-N 1 3 365.543 2.434 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000657160248 677966238 /nfs/dbraw/zinc/96/62/38/677966238.db2.gz DQKMPFALLIVXFE-QGZVFWFLSA-N 1 3 365.543 2.434 20 0 FEADHO N[C@H](CC1CCCCC1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662613842 678643621 /nfs/dbraw/zinc/64/36/21/678643621.db2.gz JFXMYQQFIMSIPF-LJQANCHMSA-N 1 3 351.535 2.291 20 0 FEADHO N[C@@H](CC(F)F)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662715712 678654271 /nfs/dbraw/zinc/65/42/71/678654271.db2.gz PCEDIVZQSOLLRT-CVEARBPZSA-N 1 3 351.441 2.387 20 0 FEADHO N[C@@H](CC(F)F)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662715712 678654274 /nfs/dbraw/zinc/65/42/74/678654274.db2.gz PCEDIVZQSOLLRT-CVEARBPZSA-N 1 3 351.441 2.387 20 0 FEADHO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1cc2c(s1)CCNC2 ZINC000662867700 678668085 /nfs/dbraw/zinc/66/80/85/678668085.db2.gz KWDFKFAVAUHDFI-HOTGVXAUSA-N 1 3 359.470 2.408 20 0 FEADHO CCN(C(=O)NCC1(N2CCSCC2)CCCC1)[C@H]1CC[N@H+](C)C1 ZINC000663698623 678775407 /nfs/dbraw/zinc/77/54/07/678775407.db2.gz BAYONOOETHWTIP-INIZCTEOSA-N 1 3 354.564 2.084 20 0 FEADHO CCN(C(=O)NCC1(N2CCSCC2)CCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000663698623 678775409 /nfs/dbraw/zinc/77/54/09/678775409.db2.gz BAYONOOETHWTIP-INIZCTEOSA-N 1 3 354.564 2.084 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(CCOC3CCC3)CC2(C)C)CC[N@@H+]1C ZINC000974601990 679961985 /nfs/dbraw/zinc/96/19/85/679961985.db2.gz VESKNOSRBWKBLS-KSZLIROESA-N 1 3 351.535 2.112 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(CCOC3CCC3)CC2(C)C)CC[N@H+]1C ZINC000974601990 679961987 /nfs/dbraw/zinc/96/19/87/679961987.db2.gz VESKNOSRBWKBLS-KSZLIROESA-N 1 3 351.535 2.112 20 0 FEADHO Cc1nc(C)c(CN2CCC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001023379233 680258284 /nfs/dbraw/zinc/25/82/84/680258284.db2.gz ILQPDNVSYIAEFC-HYVNUMGLSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1nc(C)c(CN2CCC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001023379233 680258287 /nfs/dbraw/zinc/25/82/87/680258287.db2.gz ILQPDNVSYIAEFC-HYVNUMGLSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1ncsc1CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447387 680290323 /nfs/dbraw/zinc/29/03/23/680290323.db2.gz VSHBJWWMCMNENX-BRWVUGGUSA-N 1 3 364.559 2.305 20 0 FEADHO Cc1ncsc1CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001024447387 680290324 /nfs/dbraw/zinc/29/03/24/680290324.db2.gz VSHBJWWMCMNENX-BRWVUGGUSA-N 1 3 364.559 2.305 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3ncc(C)s3)CC2)CC[N@@H+]1C ZINC000996604620 680336939 /nfs/dbraw/zinc/33/69/39/680336939.db2.gz VOGJCMBFMSFBJO-JKSUJKDBSA-N 1 3 350.532 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3ncc(C)s3)CC2)CC[N@H+]1C ZINC000996604620 680336942 /nfs/dbraw/zinc/33/69/42/680336942.db2.gz VOGJCMBFMSFBJO-JKSUJKDBSA-N 1 3 350.532 2.262 20 0 FEADHO Cc1nc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC000997786402 680366227 /nfs/dbraw/zinc/36/62/27/680366227.db2.gz PYSZRGALDUNHFS-CXAGYDPISA-N 1 3 364.559 2.428 20 0 FEADHO Cc1nc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC000997786402 680366231 /nfs/dbraw/zinc/36/62/31/680366231.db2.gz PYSZRGALDUNHFS-CXAGYDPISA-N 1 3 364.559 2.428 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3ccnc(Cl)c3)C2)CC[N@@H+]1C ZINC000999191354 680397834 /nfs/dbraw/zinc/39/78/34/680397834.db2.gz XSGCGHBVEKGYLE-VNQPRFMTSA-N 1 3 350.894 2.156 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3ccnc(Cl)c3)C2)CC[N@H+]1C ZINC000999191354 680397838 /nfs/dbraw/zinc/39/78/38/680397838.db2.gz XSGCGHBVEKGYLE-VNQPRFMTSA-N 1 3 350.894 2.156 20 0 FEADHO Cc1ncsc1CCN1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001000701755 680438025 /nfs/dbraw/zinc/43/80/25/680438025.db2.gz LRMSIENSHZRWAR-NVXWUHKLSA-N 1 3 362.543 2.083 20 0 FEADHO Cc1ncsc1CCN1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001000701755 680438027 /nfs/dbraw/zinc/43/80/27/680438027.db2.gz LRMSIENSHZRWAR-NVXWUHKLSA-N 1 3 362.543 2.083 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2cnc(C)s2)CC[N@@H+]1C ZINC001045044603 680620386 /nfs/dbraw/zinc/62/03/86/680620386.db2.gz PDMGPGACMABKFY-BHYGNILZSA-N 1 3 350.532 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2cnc(C)s2)CC[N@H+]1C ZINC001045044603 680620387 /nfs/dbraw/zinc/62/03/87/680620387.db2.gz PDMGPGACMABKFY-BHYGNILZSA-N 1 3 350.532 2.262 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000766523535 680880084 /nfs/dbraw/zinc/88/00/84/680880084.db2.gz DHCBRXNLVLKTSU-RDJZCZTQSA-N 1 3 355.523 2.332 20 0 FEADHO CC(C)(C)OC(=O)NC[C@@H](NC[C@@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000769919931 681000459 /nfs/dbraw/zinc/00/04/59/681000459.db2.gz FALZZYKVVSKSTP-IAGOWNOFSA-N 1 3 355.523 2.116 20 0 FEADHO Cc1ncsc1CN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052394473 681076776 /nfs/dbraw/zinc/07/67/76/681076776.db2.gz YDKSPMYVEJTGOL-OWCLPIDISA-N 1 3 350.532 2.262 20 0 FEADHO Cc1ncsc1CN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001052394473 681076779 /nfs/dbraw/zinc/07/67/79/681076779.db2.gz YDKSPMYVEJTGOL-OWCLPIDISA-N 1 3 350.532 2.262 20 0 FEADHO CCN(CCCNC(=[NH2+])NC[C@@H]1CCCN1CC)C(=O)OC(C)(C)C ZINC000849070114 681649241 /nfs/dbraw/zinc/64/92/41/681649241.db2.gz HBDPWDUKHIWPHH-HNNXBMFYSA-N 1 3 355.527 2.232 20 0 FEADHO CN(CC[Si](C)(C)CC[N@H+](C)Cc1cnn(C)c1)Cc1cnn(C)c1 ZINC000859053328 683031641 /nfs/dbraw/zinc/03/16/41/683031641.db2.gz BWMFDYTVCOOTJU-UHFFFAOYSA-N 1 3 362.598 2.426 20 0 FEADHO CN(CC[Si](C)(C)CC[N@@H+](C)Cc1cnn(C)c1)Cc1cnn(C)c1 ZINC000859053328 683031642 /nfs/dbraw/zinc/03/16/42/683031642.db2.gz BWMFDYTVCOOTJU-UHFFFAOYSA-N 1 3 362.598 2.426 20 0 FEADHO CC1(C)CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C[C@@H]1[NH3+] ZINC000925998574 683061591 /nfs/dbraw/zinc/06/15/91/683061591.db2.gz TXCIYRHUPSWBFS-KRWDZBQOSA-N 1 3 362.543 2.479 20 0 FEADHO CCO[C@@H](CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C[NH+](C)C ZINC000926841893 683179422 /nfs/dbraw/zinc/17/94/22/683179422.db2.gz AIECMHDYSUXOJW-DLBZAZTESA-N 1 3 370.925 2.209 20 0 FEADHO COCCN(CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC000796858353 683201342 /nfs/dbraw/zinc/20/13/42/683201342.db2.gz YKYVBRHYMFCLDG-GVDBMIGSSA-N 1 3 355.523 2.332 20 0 FEADHO COCCN(CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC000796858353 683201346 /nfs/dbraw/zinc/20/13/46/683201346.db2.gz YKYVBRHYMFCLDG-GVDBMIGSSA-N 1 3 355.523 2.332 20 0 FEADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000923320496 684262229 /nfs/dbraw/zinc/26/22/29/684262229.db2.gz YRAIDMIDZDAOBV-ULQDDVLXSA-N 1 3 357.420 2.064 20 0 FEADHO CN(Cc1ccccc1Br)C(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923489596 684290712 /nfs/dbraw/zinc/29/07/12/684290712.db2.gz PQLFKWBYONHQMK-ZDUSSCGKSA-N 1 3 354.292 2.078 20 0 FEADHO C[C@@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccc(Br)cc1 ZINC000923490094 684290836 /nfs/dbraw/zinc/29/08/36/684290836.db2.gz RNRGLKGLYDMFRQ-CHWSQXEVSA-N 1 3 354.292 2.297 20 0 FEADHO CN(CCN[C@@H](CCC[NH3+])c1ccccc1)S(=O)(=O)c1cccs1 ZINC000925617294 684574297 /nfs/dbraw/zinc/57/42/97/684574297.db2.gz PJNWJSNVXURKCE-INIZCTEOSA-N 1 3 367.540 2.438 20 0 FEADHO C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)[C@H](c1ccccc1)N1CCOCC1 ZINC000925785544 684585437 /nfs/dbraw/zinc/58/54/37/684585437.db2.gz UZLPGDCTORQTGJ-CGTJXYLNSA-N 1 3 353.457 2.283 20 0 FEADHO C[NH+](C)CCOc1ccc(CNC[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000883365892 687614635 /nfs/dbraw/zinc/61/46/35/687614635.db2.gz JHUMWRPBUFIXKU-CYBMUJFWSA-N 1 3 356.335 2.275 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)N(C)C)cc1 ZINC000891923238 689127012 /nfs/dbraw/zinc/12/70/12/689127012.db2.gz XVVMGNPCNATFRX-VDZJLULYSA-N 1 3 362.543 2.262 20 0 FEADHO CCO/C=C/[C@](O)(C[NH2+]Cc1ccnn1-c1ccncc1)C(F)(F)F ZINC000895715440 689760152 /nfs/dbraw/zinc/76/01/52/689760152.db2.gz CEFRNSXXQAHSQC-WGPYJDKQSA-N 1 3 356.348 2.201 20 0 FEADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1sccc1Br)C2 ZINC000903491779 690900010 /nfs/dbraw/zinc/90/00/10/690900010.db2.gz APIKGJYMJGTVBU-RBZYPMLTSA-N 1 3 359.289 2.223 20 0 FEADHO C[C@@](O)(C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)C(F)(F)C(F)(F)F ZINC000905126048 691071033 /nfs/dbraw/zinc/07/10/33/691071033.db2.gz CQCXFKGOGYNZFX-DGCLKSJQSA-N 1 3 360.367 2.026 20 0 FEADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(CN)ncn3)C[C@@H]21 ZINC001165020267 721807547 /nfs/dbraw/zinc/80/75/47/721807547.db2.gz DSLKHYZXQGLIBM-AYOQOUSVSA-N 1 3 352.486 2.067 20 0 FEADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(CN)ncn3)C[C@@H]21 ZINC001165020267 721807548 /nfs/dbraw/zinc/80/75/48/721807548.db2.gz DSLKHYZXQGLIBM-AYOQOUSVSA-N 1 3 352.486 2.067 20 0 FEADHO CCN1CCN(CCCCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000042910777 540082663 /nfs/dbraw/zinc/08/26/63/540082663.db2.gz IYDQJXPYJXRGDS-UHFFFAOYSA-N 1 3 367.582 2.013 20 0 FEADHO Cc1ccc(C)c(OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050800121 540414492 /nfs/dbraw/zinc/41/44/92/540414492.db2.gz QYDXHTMYGYZFNR-UHFFFAOYSA-N 1 3 359.514 2.357 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCc3ccsc3)CC2)CC1 ZINC000051270514 540428655 /nfs/dbraw/zinc/42/86/55/540428655.db2.gz XJEILULYEUYAJG-UHFFFAOYSA-N 1 3 350.532 2.148 20 0 FEADHO CCOc1cccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000051758685 540442850 /nfs/dbraw/zinc/44/28/50/540442850.db2.gz GZWINGGRCLETDB-UHFFFAOYSA-N 1 3 374.529 2.443 20 0 FEADHO Cc1ccc(OCCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000051759815 540443757 /nfs/dbraw/zinc/44/37/57/540443757.db2.gz ULQQRXUGEUHLBA-UHFFFAOYSA-N 1 3 374.529 2.232 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC000054510822 540593988 /nfs/dbraw/zinc/59/39/88/540593988.db2.gz NYMCJBHPFIZJES-KRWDZBQOSA-N 1 3 350.507 2.393 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC000054510822 540593990 /nfs/dbraw/zinc/59/39/90/540593990.db2.gz NYMCJBHPFIZJES-KRWDZBQOSA-N 1 3 350.507 2.393 20 0 FEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000067392772 541454771 /nfs/dbraw/zinc/45/47/71/541454771.db2.gz HZORNVMCSHHXFZ-MRXNPFEDSA-N 1 3 374.529 2.313 20 0 FEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000067392772 541454772 /nfs/dbraw/zinc/45/47/72/541454772.db2.gz HZORNVMCSHHXFZ-MRXNPFEDSA-N 1 3 374.529 2.313 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000073657490 541981768 /nfs/dbraw/zinc/98/17/68/541981768.db2.gz RIMGCNNVKOAFFV-RTBURBONSA-N 1 3 368.566 2.249 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc2c(c1)CCO2 ZINC000073981117 542022117 /nfs/dbraw/zinc/02/21/17/542022117.db2.gz OOBGBQUWKQZRDW-LJQANCHMSA-N 1 3 374.529 2.179 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc2c(c1)CCO2 ZINC000073981117 542022121 /nfs/dbraw/zinc/02/21/21/542022121.db2.gz OOBGBQUWKQZRDW-LJQANCHMSA-N 1 3 374.529 2.179 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1scnc1C ZINC000074094558 542035232 /nfs/dbraw/zinc/03/52/32/542035232.db2.gz QEHUYMZDVXFQSY-HNNXBMFYSA-N 1 3 353.536 2.009 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1scnc1C ZINC000074094558 542035236 /nfs/dbraw/zinc/03/52/36/542035236.db2.gz QEHUYMZDVXFQSY-HNNXBMFYSA-N 1 3 353.536 2.009 20 0 FEADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000075158520 542155447 /nfs/dbraw/zinc/15/54/47/542155447.db2.gz WFYLMRBEFRQJBC-IBGZPJMESA-N 1 3 361.534 2.315 20 0 FEADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000075158520 542155450 /nfs/dbraw/zinc/15/54/50/542155450.db2.gz WFYLMRBEFRQJBC-IBGZPJMESA-N 1 3 361.534 2.315 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000079459879 542520206 /nfs/dbraw/zinc/52/02/06/542520206.db2.gz RZCZFZFITHILDO-LJQANCHMSA-N 1 3 356.514 2.388 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000079459879 542520211 /nfs/dbraw/zinc/52/02/11/542520211.db2.gz RZCZFZFITHILDO-LJQANCHMSA-N 1 3 356.514 2.388 20 0 FEADHO CN(CCN(C)[C@@H]1CCCN(Cc2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000089269391 542760005 /nfs/dbraw/zinc/76/00/05/542760005.db2.gz ZMDUAUBSCUXGKQ-OAQYLSRUSA-N 1 3 372.557 2.135 20 0 FEADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCC(F)(F)F ZINC000092821246 542888945 /nfs/dbraw/zinc/88/89/45/542888945.db2.gz IZMACEOFDHZHGU-UHFFFAOYSA-N 1 3 358.408 2.298 20 0 FEADHO C[C@@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)C[NH+]1CCCC1 ZINC000093135027 542910764 /nfs/dbraw/zinc/91/07/64/542910764.db2.gz QGNRNZRQICIHFQ-KRWDZBQOSA-N 1 3 359.518 2.329 20 0 FEADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000101517051 543027823 /nfs/dbraw/zinc/02/78/23/543027823.db2.gz JKDWUEBPELFUHH-OALUTQOASA-N 1 3 372.557 2.379 20 0 FEADHO CCC[NH+]1CCC(N(C)CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000109788775 543339273 /nfs/dbraw/zinc/33/92/73/543339273.db2.gz NJXLNSFVLBQAOE-UHFFFAOYSA-N 1 3 360.502 2.209 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000111821192 543418014 /nfs/dbraw/zinc/41/80/14/543418014.db2.gz LRNMYPYVUJGIBZ-MSOLQXFVSA-N 1 3 354.539 2.051 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000111821192 543418016 /nfs/dbraw/zinc/41/80/16/543418016.db2.gz LRNMYPYVUJGIBZ-MSOLQXFVSA-N 1 3 354.539 2.051 20 0 FEADHO CC(C)[C@@H](C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)N(C)C ZINC000112318796 543441788 /nfs/dbraw/zinc/44/17/88/543441788.db2.gz LQPKXKTWSQQSPR-SFHVURJKSA-N 1 3 360.502 2.037 20 0 FEADHO COc1ccc(OC(F)F)c(CNCCC[N@@H+]2CCCN(C)CC2)c1 ZINC000112710236 543459174 /nfs/dbraw/zinc/45/91/74/543459174.db2.gz AALVLLBQHVWBOR-UHFFFAOYSA-N 1 3 357.445 2.414 20 0 FEADHO COc1ccc(OC(F)F)c(CNCCC[N@H+]2CCCN(C)CC2)c1 ZINC000112710236 543459176 /nfs/dbraw/zinc/45/91/76/543459176.db2.gz AALVLLBQHVWBOR-UHFFFAOYSA-N 1 3 357.445 2.414 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000118772735 543658313 /nfs/dbraw/zinc/65/83/13/543658313.db2.gz CMKUXSRHSSYAOR-GOSISDBHSA-N 1 3 358.530 2.290 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000118772735 543658316 /nfs/dbraw/zinc/65/83/16/543658316.db2.gz CMKUXSRHSSYAOR-GOSISDBHSA-N 1 3 358.530 2.290 20 0 FEADHO CC(C)COc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000120139625 543675932 /nfs/dbraw/zinc/67/59/32/543675932.db2.gz KDHUANKEZSOMKE-UHFFFAOYSA-N 1 3 351.495 2.074 20 0 FEADHO Cc1ccnc(-c2ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc2)n1 ZINC000120129129 543676463 /nfs/dbraw/zinc/67/64/63/543676463.db2.gz BTMDMBNGQCFKKN-UHFFFAOYSA-N 1 3 370.501 2.409 20 0 FEADHO CC[NH+](CC)CCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000125516471 543886352 /nfs/dbraw/zinc/88/63/52/543886352.db2.gz YDSORSDXMYEYPQ-UHFFFAOYSA-N 1 3 356.580 2.379 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000125574522 543889121 /nfs/dbraw/zinc/88/91/21/543889121.db2.gz SYAZBTYXOMYKKP-QGZVFWFLSA-N 1 3 370.497 2.016 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000125574522 543889122 /nfs/dbraw/zinc/88/91/22/543889122.db2.gz SYAZBTYXOMYKKP-QGZVFWFLSA-N 1 3 370.497 2.016 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000247491094 549343430 /nfs/dbraw/zinc/34/34/30/549343430.db2.gz LRNMYPYVUJGIBZ-ZWKOTPCHSA-N 1 3 354.539 2.051 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000247491094 549343432 /nfs/dbraw/zinc/34/34/32/549343432.db2.gz LRNMYPYVUJGIBZ-ZWKOTPCHSA-N 1 3 354.539 2.051 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)COCc2ccccc2OC)[C@H](C)C1 ZINC000125773411 543900957 /nfs/dbraw/zinc/90/09/57/543900957.db2.gz KUUGPULIQNRTLW-NEWSRXKRSA-N 1 3 350.503 2.235 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)COCc2ccccc2OC)[C@H](C)C1 ZINC000125773411 543900961 /nfs/dbraw/zinc/90/09/61/543900961.db2.gz KUUGPULIQNRTLW-NEWSRXKRSA-N 1 3 350.503 2.235 20 0 FEADHO C[NH+](C)CCn1cc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cn1 ZINC000127390491 543990459 /nfs/dbraw/zinc/99/04/59/543990459.db2.gz SLUGUAAVAMFSPW-UHFFFAOYSA-N 1 3 370.501 2.231 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128258274 544041813 /nfs/dbraw/zinc/04/18/13/544041813.db2.gz WRARAGSVNDHSGJ-MRXNPFEDSA-N 1 3 350.482 2.160 20 0 FEADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]CCCN2CCCN(C)CC2)c1 ZINC000128494534 544056299 /nfs/dbraw/zinc/05/62/99/544056299.db2.gz WFXDJXJDUITCRI-QGZVFWFLSA-N 1 3 362.518 2.030 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000131888700 544210926 /nfs/dbraw/zinc/21/09/26/544210926.db2.gz KXAJLKLKKQSJQO-UHFFFAOYSA-N 1 3 371.529 2.479 20 0 FEADHO CCS(=O)(=O)NCCC[N@H+](C)C1CCN(C2CCC(C)CC2)CC1 ZINC000132230638 544223948 /nfs/dbraw/zinc/22/39/48/544223948.db2.gz ZLCOTPOAMAVTGY-UHFFFAOYSA-N 1 3 359.580 2.291 20 0 FEADHO CCS(=O)(=O)NCCC[N@@H+](C)C1CCN(C2CCC(C)CC2)CC1 ZINC000132230638 544223949 /nfs/dbraw/zinc/22/39/49/544223949.db2.gz ZLCOTPOAMAVTGY-UHFFFAOYSA-N 1 3 359.580 2.291 20 0 FEADHO CN(c1ccccc1C[NH2+]CCCN1CCCC1=O)C1CCN(C)CC1 ZINC000132776268 544243500 /nfs/dbraw/zinc/24/35/00/544243500.db2.gz JOTJNRPQKNIRJT-UHFFFAOYSA-N 1 3 358.530 2.319 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000133893155 544286803 /nfs/dbraw/zinc/28/68/03/544286803.db2.gz RMAJBFLADIUBCY-SJORKVTESA-N 1 3 359.518 2.248 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000133893155 544286805 /nfs/dbraw/zinc/28/68/05/544286805.db2.gz RMAJBFLADIUBCY-SJORKVTESA-N 1 3 359.518 2.248 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)NCCCN2CCC(O)CC2)cc1)C(C)C ZINC000136115915 544366836 /nfs/dbraw/zinc/36/68/36/544366836.db2.gz YOZFIIZUJZYSLB-UHFFFAOYSA-N 1 3 361.530 2.494 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)NCCCN2CCC(O)CC2)cc1)C(C)C ZINC000136115915 544366838 /nfs/dbraw/zinc/36/68/38/544366838.db2.gz YOZFIIZUJZYSLB-UHFFFAOYSA-N 1 3 361.530 2.494 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000136445819 544373053 /nfs/dbraw/zinc/37/30/53/544373053.db2.gz LYAFCJYLRJBTRM-CALCHBBNSA-N 1 3 362.518 2.120 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000136445819 544373055 /nfs/dbraw/zinc/37/30/55/544373055.db2.gz LYAFCJYLRJBTRM-CALCHBBNSA-N 1 3 362.518 2.120 20 0 FEADHO COc1ccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1NC(C)=O ZINC000150987156 544494171 /nfs/dbraw/zinc/49/41/71/544494171.db2.gz MPOUBSCJTJBIEU-OAHLLOKOSA-N 1 3 362.518 2.330 20 0 FEADHO CSC[C@@](C)(O)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150963313 544491113 /nfs/dbraw/zinc/49/11/13/544491113.db2.gz AGBPKBVEBZMONV-IBGZPJMESA-N 1 3 351.560 2.421 20 0 FEADHO CSC[C@@](C)(O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000150963313 544491116 /nfs/dbraw/zinc/49/11/16/544491116.db2.gz AGBPKBVEBZMONV-IBGZPJMESA-N 1 3 351.560 2.421 20 0 FEADHO COCCC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000151479911 544546721 /nfs/dbraw/zinc/54/67/21/544546721.db2.gz OHKCWKLNLLAKBC-UHFFFAOYSA-N 1 3 351.535 2.258 20 0 FEADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000182807688 327789799 /nfs/dbraw/zinc/78/97/99/327789799.db2.gz FWQNCVYYIKFZMS-MOPGFXCFSA-N 1 3 368.543 2.463 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000187455490 328026761 /nfs/dbraw/zinc/02/67/61/328026761.db2.gz WTIKMYHLHJWZLU-OAQYLSRUSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000187455490 328026762 /nfs/dbraw/zinc/02/67/62/328026762.db2.gz WTIKMYHLHJWZLU-OAQYLSRUSA-N 1 3 372.557 2.041 20 0 FEADHO COC[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CCOCC1 ZINC000187970073 328057436 /nfs/dbraw/zinc/05/74/36/328057436.db2.gz DVZVQHKYQYGWGF-OAQYLSRUSA-N 1 3 362.514 2.175 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)cc1 ZINC000189449229 328148754 /nfs/dbraw/zinc/14/87/54/328148754.db2.gz IDOADWDQSLHMKY-OAHLLOKOSA-N 1 3 360.502 2.066 20 0 FEADHO C[C@@H](CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[N@H+](C)C1CC1 ZINC000192383956 328316949 /nfs/dbraw/zinc/31/69/49/328316949.db2.gz RACGSNBVEYGLOC-PXNSSMCTSA-N 1 3 374.529 2.059 20 0 FEADHO C[C@@H](CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[N@@H+](C)C1CC1 ZINC000192383956 328316950 /nfs/dbraw/zinc/31/69/50/328316950.db2.gz RACGSNBVEYGLOC-PXNSSMCTSA-N 1 3 374.529 2.059 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000236807366 328494553 /nfs/dbraw/zinc/49/45/53/328494553.db2.gz WOWPJGXXMDHROX-UHFFFAOYSA-N 1 3 373.541 2.313 20 0 FEADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CNC[C@H]1CCCO1 ZINC000236897944 328497460 /nfs/dbraw/zinc/49/74/60/328497460.db2.gz XLBOBRURPDYMRF-MRXNPFEDSA-N 1 3 373.501 2.085 20 0 FEADHO CN(C)CCOc1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)cc1Cl ZINC000237197157 328508043 /nfs/dbraw/zinc/50/80/43/328508043.db2.gz KAGKRQQRXGSCML-CYBMUJFWSA-N 1 3 357.907 2.314 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])CC2)c1 ZINC000237402136 328514999 /nfs/dbraw/zinc/51/49/99/328514999.db2.gz YNDMFNHMPJQYES-QUCCMNQESA-N 1 3 358.530 2.093 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079300291 325085949 /nfs/dbraw/zinc/08/59/49/325085949.db2.gz YDQSZKMTQZKSEJ-QGZVFWFLSA-N 1 3 356.514 2.218 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000079300291 325085952 /nfs/dbraw/zinc/08/59/52/325085952.db2.gz YDQSZKMTQZKSEJ-QGZVFWFLSA-N 1 3 356.514 2.218 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NCC1(N2CCSCC2)CCCC1 ZINC000079458535 325091793 /nfs/dbraw/zinc/09/17/93/325091793.db2.gz YPKIMQVJFXADGY-INIZCTEOSA-N 1 3 366.575 2.132 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NCC1(N2CCSCC2)CCCC1 ZINC000079458535 325091797 /nfs/dbraw/zinc/09/17/97/325091797.db2.gz YPKIMQVJFXADGY-INIZCTEOSA-N 1 3 366.575 2.132 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000080008307 325113687 /nfs/dbraw/zinc/11/36/87/325113687.db2.gz VOWJHMWRTSETDP-MRXNPFEDSA-N 1 3 362.493 2.383 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000080008307 325113689 /nfs/dbraw/zinc/11/36/89/325113689.db2.gz VOWJHMWRTSETDP-MRXNPFEDSA-N 1 3 362.493 2.383 20 0 FEADHO C[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090183178 325356094 /nfs/dbraw/zinc/35/60/94/325356094.db2.gz ZPCNCKBWADLZPC-HNNXBMFYSA-N 1 3 354.516 2.102 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000118879879 326110169 /nfs/dbraw/zinc/11/01/69/326110169.db2.gz BXOMPMOFWHUXME-KRWDZBQOSA-N 1 3 356.514 2.043 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000118879879 326110172 /nfs/dbraw/zinc/11/01/72/326110172.db2.gz BXOMPMOFWHUXME-KRWDZBQOSA-N 1 3 356.514 2.043 20 0 FEADHO CCc1noc(C)c1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000119402243 326158405 /nfs/dbraw/zinc/15/84/05/326158405.db2.gz MEDBAUPGGXBQGO-UHFFFAOYSA-N 1 3 364.534 2.461 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000119889364 326209502 /nfs/dbraw/zinc/20/95/02/326209502.db2.gz UUNLZMPIHIPFPJ-IEBWSBKVSA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000119889364 326209503 /nfs/dbraw/zinc/20/95/03/326209503.db2.gz UUNLZMPIHIPFPJ-IEBWSBKVSA-N 1 3 366.550 2.002 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccnc(Cl)c3)CC2)CC1 ZINC000120327584 326250099 /nfs/dbraw/zinc/25/00/99/326250099.db2.gz FAHZAZUPMGJZKT-UHFFFAOYSA-N 1 3 351.882 2.415 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000120453162 326259901 /nfs/dbraw/zinc/25/99/01/326259901.db2.gz YWOROOJBHRIJCF-PXNSSMCTSA-N 1 3 373.545 2.070 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000120453162 326259902 /nfs/dbraw/zinc/25/99/02/326259902.db2.gz YWOROOJBHRIJCF-PXNSSMCTSA-N 1 3 373.545 2.070 20 0 FEADHO CC(C)CN1CCCC[C@@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000121075244 326311055 /nfs/dbraw/zinc/31/10/55/326311055.db2.gz FCJSAFFROCIYGO-RTBURBONSA-N 1 3 353.551 2.406 20 0 FEADHO CN1CC[NH+](CCCCNC(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000121179903 326319599 /nfs/dbraw/zinc/31/95/99/326319599.db2.gz QLWLRQXDZNDLBW-NRFANRHFSA-N 1 3 372.557 2.185 20 0 FEADHO CCCc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n(C)n1 ZINC000122344320 326393331 /nfs/dbraw/zinc/39/33/31/326393331.db2.gz LKTKBKOLQCXNAR-UHFFFAOYSA-N 1 3 362.522 2.053 20 0 FEADHO CS[C@H](CO)[C@H](C)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150964745 326672077 /nfs/dbraw/zinc/67/20/77/326672077.db2.gz MHGVTEIBYHOHJJ-HNAYVOBHSA-N 1 3 351.560 2.419 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000157766497 326874715 /nfs/dbraw/zinc/87/47/15/326874715.db2.gz FTIMVGMZDMSETR-FQEVSTJZSA-N 1 3 360.546 2.069 20 0 FEADHO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000162997595 327039928 /nfs/dbraw/zinc/03/99/28/327039928.db2.gz DESCNCNUOMULBG-HXUWFJFHSA-N 1 3 359.514 2.057 20 0 FEADHO CCOc1ncccc1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000171165903 327121865 /nfs/dbraw/zinc/12/18/65/327121865.db2.gz VOKRMZIKJBNSJJ-MRXNPFEDSA-N 1 3 363.506 2.360 20 0 FEADHO CCOc1ncccc1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000171165903 327121866 /nfs/dbraw/zinc/12/18/66/327121866.db2.gz VOKRMZIKJBNSJJ-MRXNPFEDSA-N 1 3 363.506 2.360 20 0 FEADHO Cc1cccc(C)c1NCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000173348856 327251338 /nfs/dbraw/zinc/25/13/38/327251338.db2.gz TVRGKUUKKFYCQS-UHFFFAOYSA-N 1 3 358.530 2.390 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nc(C)cs1 ZINC000173619465 327271550 /nfs/dbraw/zinc/27/15/50/327271550.db2.gz FLKQKMOSRFXPTQ-OAHLLOKOSA-N 1 3 353.536 2.009 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nc(C)cs1 ZINC000173619465 327271551 /nfs/dbraw/zinc/27/15/51/327271551.db2.gz FLKQKMOSRFXPTQ-OAHLLOKOSA-N 1 3 353.536 2.009 20 0 FEADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)C1 ZINC000173922568 327294732 /nfs/dbraw/zinc/29/47/32/327294732.db2.gz YEOXMCSBKIKWQW-MRXNPFEDSA-N 1 3 372.513 2.181 20 0 FEADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)C1 ZINC000173922568 327294733 /nfs/dbraw/zinc/29/47/33/327294733.db2.gz YEOXMCSBKIKWQW-MRXNPFEDSA-N 1 3 372.513 2.181 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000174149051 327308913 /nfs/dbraw/zinc/30/89/13/327308913.db2.gz NGSOSBKMVZXZQJ-LJQANCHMSA-N 1 3 374.529 2.254 20 0 FEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000175101081 327374114 /nfs/dbraw/zinc/37/41/14/327374114.db2.gz VGKLNNYJGYRTOW-MSOLQXFVSA-N 1 3 354.539 2.003 20 0 FEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000175101081 327374115 /nfs/dbraw/zinc/37/41/15/327374115.db2.gz VGKLNNYJGYRTOW-MSOLQXFVSA-N 1 3 354.539 2.003 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000175547056 327398944 /nfs/dbraw/zinc/39/89/44/327398944.db2.gz BEASMGUFKORNQN-UHFFFAOYSA-N 1 3 370.541 2.433 20 0 FEADHO CC(C)[NH+](CCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1)C(C)C ZINC000176119628 327435585 /nfs/dbraw/zinc/43/55/85/327435585.db2.gz BATUYWLTPGYMSL-UHFFFAOYSA-N 1 3 362.518 2.312 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000176132399 327436441 /nfs/dbraw/zinc/43/64/41/327436441.db2.gz NYWXRDKVXFBFGA-UHFFFAOYSA-N 1 3 368.566 2.484 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176411451 327454262 /nfs/dbraw/zinc/45/42/62/327454262.db2.gz NFUSIUJAXJIXAE-MSOLQXFVSA-N 1 3 354.539 2.048 20 0 FEADHO CN(c1ccccc1C[NH2+][C@@H]1CCC[C@H](C(N)=O)C1)C1CCN(C)CC1 ZINC000177585921 327531848 /nfs/dbraw/zinc/53/18/48/327531848.db2.gz NOMJSOULVSACCN-FUHWJXTLSA-N 1 3 358.530 2.351 20 0 FEADHO C[C@H]1CN(CCC2CCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)C[C@H](C)O1 ZINC000178856808 327611867 /nfs/dbraw/zinc/61/18/67/327611867.db2.gz ULPGEIUDWVVLQM-WFXMLNOXSA-N 1 3 373.541 2.467 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000266118867 329192081 /nfs/dbraw/zinc/19/20/81/329192081.db2.gz ORAGFHPPAIAYCW-UHFFFAOYSA-N 1 3 358.530 2.258 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CN1C1CC1 ZINC000267940144 329370239 /nfs/dbraw/zinc/37/02/39/329370239.db2.gz PXJLSRYBXMYKPL-WMZOPIPTSA-N 1 3 374.529 2.094 20 0 FEADHO CC(C)N(CCN(C)C)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000269681279 329539673 /nfs/dbraw/zinc/53/96/73/329539673.db2.gz MZWQKFZKLMORNM-UHFFFAOYSA-N 1 3 350.507 2.109 20 0 FEADHO CC[C@@]1(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)CCC[NH2+]1 ZINC000274672436 329970111 /nfs/dbraw/zinc/97/01/11/329970111.db2.gz YJCNVKXZGRURLN-FQEVSTJZSA-N 1 3 363.477 2.317 20 0 FEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000274691043 329971497 /nfs/dbraw/zinc/97/14/97/329971497.db2.gz QCUISQMKUBLCLS-INIZCTEOSA-N 1 3 361.530 2.426 20 0 FEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000426245145 330271739 /nfs/dbraw/zinc/27/17/39/330271739.db2.gz LITYDQHPRFYCJF-MSOLQXFVSA-N 1 3 366.550 2.146 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)CCCCCO)CC1 ZINC000433176813 330274778 /nfs/dbraw/zinc/27/47/78/330274778.db2.gz CKQBEYKHXFUPEO-UHFFFAOYSA-N 1 3 361.530 2.170 20 0 FEADHO Cc1ccc(F)c(OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000157143439 545705954 /nfs/dbraw/zinc/70/59/54/545705954.db2.gz FZIIHBWTTUEZKB-UHFFFAOYSA-N 1 3 363.477 2.188 20 0 FEADHO C[C@@H]1C[C@H](NC[C@H](O)COc2cccc(Br)c2)CC[N@@H+]1C ZINC000158198514 545833109 /nfs/dbraw/zinc/83/31/09/545833109.db2.gz FODUILFFYODQMK-YUELXQCFSA-N 1 3 357.292 2.261 20 0 FEADHO C[C@@H]1C[C@H](NC[C@H](O)COc2cccc(Br)c2)CC[N@H+]1C ZINC000158198514 545833112 /nfs/dbraw/zinc/83/31/12/545833112.db2.gz FODUILFFYODQMK-YUELXQCFSA-N 1 3 357.292 2.261 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000158960041 545909636 /nfs/dbraw/zinc/90/96/36/545909636.db2.gz BJRBJRFEKQWSDK-INIZCTEOSA-N 1 3 364.534 2.293 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000158960041 545909641 /nfs/dbraw/zinc/90/96/41/545909641.db2.gz BJRBJRFEKQWSDK-INIZCTEOSA-N 1 3 364.534 2.293 20 0 FEADHO COCCCN1CCC(NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000171196235 546195340 /nfs/dbraw/zinc/19/53/40/546195340.db2.gz RPBLTUXEACECNO-HDICACEKSA-N 1 3 368.566 2.155 20 0 FEADHO COCCCN1CCC(NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000171196235 546195346 /nfs/dbraw/zinc/19/53/46/546195346.db2.gz RPBLTUXEACECNO-HDICACEKSA-N 1 3 368.566 2.155 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000479792274 561197254 /nfs/dbraw/zinc/19/72/54/561197254.db2.gz YUPVSLOINKZUJC-VQIMIIECSA-N 1 3 362.518 2.472 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cnc(C2CC2)nc1 ZINC000176117794 546409595 /nfs/dbraw/zinc/40/95/95/546409595.db2.gz LDHMDMYLYJOFLY-QGZVFWFLSA-N 1 3 360.506 2.234 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cnc(C2CC2)nc1 ZINC000176117794 546409597 /nfs/dbraw/zinc/40/95/97/546409597.db2.gz LDHMDMYLYJOFLY-QGZVFWFLSA-N 1 3 360.506 2.234 20 0 FEADHO CN(C)[C@@]1(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCSC1 ZINC000480259470 561205885 /nfs/dbraw/zinc/20/58/85/561205885.db2.gz FULAUUXANHWYRT-AZUAARDMSA-N 1 3 361.555 2.452 20 0 FEADHO CN(C)[C@@]1(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCSC1 ZINC000480259470 561205886 /nfs/dbraw/zinc/20/58/86/561205886.db2.gz FULAUUXANHWYRT-AZUAARDMSA-N 1 3 361.555 2.452 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000481023821 561223177 /nfs/dbraw/zinc/22/31/77/561223177.db2.gz XYUFOSVPVVWQSJ-LPHOPBHVSA-N 1 3 362.518 2.329 20 0 FEADHO C[C@@H](NCc1cccnc1-n1cncn1)c1cccc(OCC[NH+](C)C)c1 ZINC000178051166 546730213 /nfs/dbraw/zinc/73/02/13/546730213.db2.gz VIWVODNTHXRJEG-MRXNPFEDSA-N 1 3 366.469 2.454 20 0 FEADHO CN(C)[C@]1(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCSC1 ZINC000481772184 561241565 /nfs/dbraw/zinc/24/15/65/561241565.db2.gz ATKCQLPDEWHSGD-WMZOPIPTSA-N 1 3 354.564 2.084 20 0 FEADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC000482148192 561249044 /nfs/dbraw/zinc/24/90/44/561249044.db2.gz GOKOMQOAPURKRG-HOTGVXAUSA-N 1 3 352.523 2.197 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CC[N@H+](C)C[C@H]2C)s1 ZINC000482452014 561254267 /nfs/dbraw/zinc/25/42/67/561254267.db2.gz SZUNEJINJUWASC-GDBMZVCRSA-N 1 3 373.588 2.251 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000482452014 561254268 /nfs/dbraw/zinc/25/42/68/561254268.db2.gz SZUNEJINJUWASC-GDBMZVCRSA-N 1 3 373.588 2.251 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000482555374 561255928 /nfs/dbraw/zinc/25/59/28/561255928.db2.gz YJHPUDZUUFZDKA-HLAWJBBLSA-N 1 3 372.557 2.074 20 0 FEADHO CC[C@H]1CCCCN1C(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180939205 547213966 /nfs/dbraw/zinc/21/39/66/547213966.db2.gz QKEIFCDQVXWFFT-ROUUACIJSA-N 1 3 352.567 2.124 20 0 FEADHO COC(=O)c1cc(CN2CCCC[C@@H](N3CCN(C)CC3)C2)c(C)s1 ZINC000182891865 547567132 /nfs/dbraw/zinc/56/71/32/547567132.db2.gz UMOYSWIKHNIJAG-QGZVFWFLSA-N 1 3 365.543 2.445 20 0 FEADHO COC(=O)c1cc(C[N@@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)c(C)s1 ZINC000182891865 547567136 /nfs/dbraw/zinc/56/71/36/547567136.db2.gz UMOYSWIKHNIJAG-QGZVFWFLSA-N 1 3 365.543 2.445 20 0 FEADHO COC(=O)c1cc(C[N@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)c(C)s1 ZINC000182891865 547567142 /nfs/dbraw/zinc/56/71/42/547567142.db2.gz UMOYSWIKHNIJAG-QGZVFWFLSA-N 1 3 365.543 2.445 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000484313081 561296076 /nfs/dbraw/zinc/29/60/76/561296076.db2.gz TVZDDZHPVDCXDZ-YOEHRIQHSA-N 1 3 357.520 2.066 20 0 FEADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000186704098 548176718 /nfs/dbraw/zinc/17/67/18/548176718.db2.gz GWEHVVQPTYMUDS-JKIFEVAISA-N 1 3 369.506 2.184 20 0 FEADHO CN(C)C1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)Cc2ccccc2C1 ZINC000486086847 561337702 /nfs/dbraw/zinc/33/77/02/561337702.db2.gz DIKMJQLCVPVFLI-UXHICEINSA-N 1 3 370.541 2.211 20 0 FEADHO CN(C)C1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)Cc2ccccc2C1 ZINC000486086847 561337703 /nfs/dbraw/zinc/33/77/03/561337703.db2.gz DIKMJQLCVPVFLI-UXHICEINSA-N 1 3 370.541 2.211 20 0 FEADHO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000486097559 561338006 /nfs/dbraw/zinc/33/80/06/561338006.db2.gz YETMVWKIPJEFAW-AHJNKEMKSA-N 1 3 374.525 2.307 20 0 FEADHO COCCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000486097559 561338007 /nfs/dbraw/zinc/33/80/07/561338007.db2.gz YETMVWKIPJEFAW-AHJNKEMKSA-N 1 3 374.525 2.307 20 0 FEADHO COCCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000486097559 561338008 /nfs/dbraw/zinc/33/80/08/561338008.db2.gz YETMVWKIPJEFAW-AHJNKEMKSA-N 1 3 374.525 2.307 20 0 FEADHO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000486097562 561338098 /nfs/dbraw/zinc/33/80/98/561338098.db2.gz YETMVWKIPJEFAW-CSEOROSGSA-N 1 3 374.525 2.307 20 0 FEADHO COCCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000486097562 561338099 /nfs/dbraw/zinc/33/80/99/561338099.db2.gz YETMVWKIPJEFAW-CSEOROSGSA-N 1 3 374.525 2.307 20 0 FEADHO COCCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000486097562 561338100 /nfs/dbraw/zinc/33/81/00/561338100.db2.gz YETMVWKIPJEFAW-CSEOROSGSA-N 1 3 374.525 2.307 20 0 FEADHO COC(=O)c1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000195341883 548628591 /nfs/dbraw/zinc/62/85/91/548628591.db2.gz RZBWMHXCDSZMBW-UHFFFAOYSA-N 1 3 374.485 2.153 20 0 FEADHO CC(C)[C@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)N1CCc2ccccc2C1 ZINC000236659809 548771127 /nfs/dbraw/zinc/77/11/27/548771127.db2.gz XAIZCLUHCQJTTR-MOPGFXCFSA-N 1 3 361.555 2.281 20 0 FEADHO COc1cccc([C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)N2CCCC2)c1 ZINC000237312967 548817724 /nfs/dbraw/zinc/81/77/24/548817724.db2.gz CYIBAMIHYUCDGK-AEFFLSMTSA-N 1 3 363.527 2.043 20 0 FEADHO CSCC[C@H](N)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000237336963 548819378 /nfs/dbraw/zinc/81/93/78/548819378.db2.gz GECQXJDKXUFABJ-SFHVURJKSA-N 1 3 362.543 2.238 20 0 FEADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CNC[C@@H]1CCCO1 ZINC000237515026 548830983 /nfs/dbraw/zinc/83/09/83/548830983.db2.gz PHHQMRWUKQAJDO-LMMKCTJWSA-N 1 3 359.514 2.028 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)CCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000237602768 548837387 /nfs/dbraw/zinc/83/73/87/548837387.db2.gz MFBMNWQZOLBKMK-CALCHBBNSA-N 1 3 351.535 2.114 20 0 FEADHO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@H](N)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000237606709 548838551 /nfs/dbraw/zinc/83/85/51/548838551.db2.gz NKQHSMNCWWMXON-LVCYWYKZSA-N 1 3 373.541 2.294 20 0 FEADHO C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@H](N)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000237606709 548838554 /nfs/dbraw/zinc/83/85/54/548838554.db2.gz NKQHSMNCWWMXON-LVCYWYKZSA-N 1 3 373.541 2.294 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238004039 548870684 /nfs/dbraw/zinc/87/06/84/548870684.db2.gz QJKWUCGKACNNQY-INIZCTEOSA-N 1 3 351.560 2.244 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000245451615 548923762 /nfs/dbraw/zinc/92/37/62/548923762.db2.gz PQVJIUYLPOBZAG-GIVPXCGWSA-N 1 3 372.557 2.039 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000245451615 548923766 /nfs/dbraw/zinc/92/37/66/548923766.db2.gz PQVJIUYLPOBZAG-GIVPXCGWSA-N 1 3 372.557 2.039 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000245926177 549021312 /nfs/dbraw/zinc/02/13/12/549021312.db2.gz HPNWUIWOBXCQGY-RBUKOAKNSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000245926177 549021315 /nfs/dbraw/zinc/02/13/15/549021315.db2.gz HPNWUIWOBXCQGY-RBUKOAKNSA-N 1 3 374.529 2.253 20 0 FEADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000246022874 549038037 /nfs/dbraw/zinc/03/80/37/549038037.db2.gz LOBDIQJVBMMTBL-JKSUJKDBSA-N 1 3 353.532 2.497 20 0 FEADHO C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000246022874 549038040 /nfs/dbraw/zinc/03/80/40/549038040.db2.gz LOBDIQJVBMMTBL-JKSUJKDBSA-N 1 3 353.532 2.497 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246394922 549122840 /nfs/dbraw/zinc/12/28/40/549122840.db2.gz OYQXKBWDGDLEIH-FCGDIQPGSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246394922 549122843 /nfs/dbraw/zinc/12/28/43/549122843.db2.gz OYQXKBWDGDLEIH-FCGDIQPGSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)COCc2ccccc2OC)[C@@H](C)C1 ZINC000246559734 549161504 /nfs/dbraw/zinc/16/15/04/549161504.db2.gz KUUGPULIQNRTLW-WDSOQIARSA-N 1 3 350.503 2.235 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)COCc2ccccc2OC)[C@@H](C)C1 ZINC000246559734 549161507 /nfs/dbraw/zinc/16/15/07/549161507.db2.gz KUUGPULIQNRTLW-WDSOQIARSA-N 1 3 350.503 2.235 20 0 FEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)C1 ZINC000488793750 561397161 /nfs/dbraw/zinc/39/71/61/561397161.db2.gz IVDQGGWYQMCZHN-CADBVGFASA-N 1 3 350.551 2.479 20 0 FEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)C1 ZINC000488793750 561397162 /nfs/dbraw/zinc/39/71/62/561397162.db2.gz IVDQGGWYQMCZHN-CADBVGFASA-N 1 3 350.551 2.479 20 0 FEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN([C@H]3C[C@H]3C)C[C@H](C)C2)C1 ZINC000488793752 561397170 /nfs/dbraw/zinc/39/71/70/561397170.db2.gz IVDQGGWYQMCZHN-RDGPPVDQSA-N 1 3 350.551 2.479 20 0 FEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN([C@H]3C[C@H]3C)C[C@H](C)C2)C1 ZINC000488793752 561397171 /nfs/dbraw/zinc/39/71/71/561397171.db2.gz IVDQGGWYQMCZHN-RDGPPVDQSA-N 1 3 350.551 2.479 20 0 FEADHO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000246852324 549228590 /nfs/dbraw/zinc/22/85/90/549228590.db2.gz BKYYGMBUWJNZSK-CVEARBPZSA-N 1 3 353.532 2.366 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000247227696 549302034 /nfs/dbraw/zinc/30/20/34/549302034.db2.gz RVDGPSLUFZCXDP-XSYGEPLQSA-N 1 3 366.594 2.274 20 0 FEADHO C[C@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)N1CCC[C@@H](C)C1 ZINC000247309101 549315496 /nfs/dbraw/zinc/31/54/96/549315496.db2.gz JOAFJQWLPOQIHE-QZTJIDSGSA-N 1 3 368.566 2.249 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247341249 549321823 /nfs/dbraw/zinc/32/18/23/549321823.db2.gz XOAJIFFNRYOHMF-RTBURBONSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247341249 549321825 /nfs/dbraw/zinc/32/18/25/549321825.db2.gz XOAJIFFNRYOHMF-RTBURBONSA-N 1 3 374.529 2.253 20 0 FEADHO NC(=O)C1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000248403139 549429573 /nfs/dbraw/zinc/42/95/73/549429573.db2.gz OEWVRFZFDLPXOQ-VAMGGRTRSA-N 1 3 371.525 2.159 20 0 FEADHO C[C@@H]1CN(C(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)C[C@H](C)O1 ZINC000248400830 549429630 /nfs/dbraw/zinc/42/96/30/549429630.db2.gz QUQOEQBTTNVRMX-AISZHWQLSA-N 1 3 373.541 2.368 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC000248587585 549463563 /nfs/dbraw/zinc/46/35/63/549463563.db2.gz GNNSDEDXRDJTGL-IHPCNDPISA-N 1 3 356.514 2.026 20 0 FEADHO CCN1CC[C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)[C@@H](C)C1 ZINC000248591793 549464757 /nfs/dbraw/zinc/46/47/57/549464757.db2.gz ZSTIPMWPENBWLI-YOEHRIQHSA-N 1 3 369.506 2.186 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000248763385 549497729 /nfs/dbraw/zinc/49/77/29/549497729.db2.gz GTRHAPBQVGSIAM-IZBJGVDFSA-N 1 3 358.530 2.489 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000248763385 549497733 /nfs/dbraw/zinc/49/77/33/549497733.db2.gz GTRHAPBQVGSIAM-IZBJGVDFSA-N 1 3 358.530 2.489 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000248773973 549499917 /nfs/dbraw/zinc/49/99/17/549499917.db2.gz HLVKFCVNODDHKK-YLJYHZDGSA-N 1 3 358.530 2.490 20 0 FEADHO CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249133290 549558155 /nfs/dbraw/zinc/55/81/55/549558155.db2.gz VCMBDTCGXDETAS-TZIWHRDSSA-N 1 3 361.530 2.279 20 0 FEADHO CC(C)C[C@@]1(CO)CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249133290 549558158 /nfs/dbraw/zinc/55/81/58/549558158.db2.gz VCMBDTCGXDETAS-TZIWHRDSSA-N 1 3 361.530 2.279 20 0 FEADHO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000261620977 549735617 /nfs/dbraw/zinc/73/56/17/549735617.db2.gz GDPROUIDGLHQPN-FGTMMUONSA-N 1 3 357.564 2.091 20 0 FEADHO COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000261656442 549739627 /nfs/dbraw/zinc/73/96/27/549739627.db2.gz BJJPOIPWWOYJSE-GOSISDBHSA-N 1 3 365.905 2.171 20 0 FEADHO CC(=O)NCCN(Cc1ccc(Br)s1)CC1CC[NH2+]CC1 ZINC000261733069 549748899 /nfs/dbraw/zinc/74/88/99/549748899.db2.gz KKCIYFAXZLFBBW-UHFFFAOYSA-N 1 3 374.348 2.448 20 0 FEADHO CCCN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261824182 549759895 /nfs/dbraw/zinc/75/98/95/549759895.db2.gz HYLKODBNDTVIPV-AQNXPRMDSA-N 1 3 359.514 2.396 20 0 FEADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261937873 549771947 /nfs/dbraw/zinc/77/19/47/549771947.db2.gz MMTLJRPWNVJMLI-LJQANCHMSA-N 1 3 357.498 2.167 20 0 FEADHO C[C@@H]1CCC[C@](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)([NH+](C)C)C1 ZINC000262286403 549806212 /nfs/dbraw/zinc/80/62/12/549806212.db2.gz VJOAEAAEOMYTJT-DSVUEQLOSA-N 1 3 351.535 2.146 20 0 FEADHO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[C@@H](N)C(C)(C)C)cc2)CC1 ZINC000262682941 549838881 /nfs/dbraw/zinc/83/88/81/549838881.db2.gz YXDSHXRVCPCAFI-MRXNPFEDSA-N 1 3 361.490 2.214 20 0 FEADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])cc2)CC1 ZINC000263107471 549878641 /nfs/dbraw/zinc/87/86/41/549878641.db2.gz ABZLLZFHEQFJTB-RBBKRZOGSA-N 1 3 372.557 2.348 20 0 FEADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000263226954 549887411 /nfs/dbraw/zinc/88/74/11/549887411.db2.gz ASARDQARFIAGHX-SFHVURJKSA-N 1 3 354.454 2.085 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000491834413 561447745 /nfs/dbraw/zinc/44/77/45/561447745.db2.gz YMGJZOCDCXBENG-KRWDZBQOSA-N 1 3 366.550 2.146 20 0 FEADHO CCS(=O)(=O)Nc1ccc([C@H](C)NCCC[N@H+](C)CCOC)cc1 ZINC000268828070 550120641 /nfs/dbraw/zinc/12/06/41/550120641.db2.gz QBTBKGQNRMIJAI-HNNXBMFYSA-N 1 3 357.520 2.067 20 0 FEADHO CCS(=O)(=O)Nc1ccc([C@H](C)NCCC[N@@H+](C)CCOC)cc1 ZINC000268828070 550120643 /nfs/dbraw/zinc/12/06/43/550120643.db2.gz QBTBKGQNRMIJAI-HNNXBMFYSA-N 1 3 357.520 2.067 20 0 FEADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NCCC[N@H+](C)CCOC)cc1 ZINC000268828072 550120675 /nfs/dbraw/zinc/12/06/75/550120675.db2.gz QBTBKGQNRMIJAI-OAHLLOKOSA-N 1 3 357.520 2.067 20 0 FEADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NCCC[N@@H+](C)CCOC)cc1 ZINC000268828072 550120677 /nfs/dbraw/zinc/12/06/77/550120677.db2.gz QBTBKGQNRMIJAI-OAHLLOKOSA-N 1 3 357.520 2.067 20 0 FEADHO CCN1CC[C@H]([NH2+]Cc2ccccc2N2CCN(C(C)=O)CC2)[C@H](C)C1 ZINC000268844204 550122840 /nfs/dbraw/zinc/12/28/40/550122840.db2.gz PGJJCLROVQPODE-XLIONFOSSA-N 1 3 358.530 2.175 20 0 FEADHO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000268864493 550124822 /nfs/dbraw/zinc/12/48/22/550124822.db2.gz SKQKZNYMFMRMTI-MBOZVWFJSA-N 1 3 358.530 2.173 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NCCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000268865751 550125415 /nfs/dbraw/zinc/12/54/15/550125415.db2.gz WLNZXWXIIPCBBD-APWZRJJASA-N 1 3 373.497 2.009 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NCCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000268865751 550125418 /nfs/dbraw/zinc/12/54/18/550125418.db2.gz WLNZXWXIIPCBBD-APWZRJJASA-N 1 3 373.497 2.009 20 0 FEADHO [NH3+][C@H]1CCC[C@H](C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000269280158 550175826 /nfs/dbraw/zinc/17/58/26/550175826.db2.gz FBWXFVCPBYMWJP-SFTDATJTSA-N 1 3 372.557 2.218 20 0 FEADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000271676773 550394776 /nfs/dbraw/zinc/39/47/76/550394776.db2.gz NTCVJLAFFGPJAY-RDJZCZTQSA-N 1 3 353.532 2.462 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000271780893 550401469 /nfs/dbraw/zinc/40/14/69/550401469.db2.gz BMOJMSWOANYCRI-FQEVSTJZSA-N 1 3 356.514 2.112 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000271780893 550401472 /nfs/dbraw/zinc/40/14/72/550401472.db2.gz BMOJMSWOANYCRI-FQEVSTJZSA-N 1 3 356.514 2.112 20 0 FEADHO CN1CC=C(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000272061682 550419810 /nfs/dbraw/zinc/41/98/10/550419810.db2.gz IAGALNBGAYIZSV-UHFFFAOYSA-N 1 3 356.514 2.255 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H]2CCO[C@@H]2C2CC2)CC1 ZINC000494452336 561470019 /nfs/dbraw/zinc/47/00/19/561470019.db2.gz NUHMINVQGDZIPL-RBBKRZOGSA-N 1 3 371.525 2.233 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N(C)CC[N@H+](C)C3CC3)c2)CC1 ZINC000274811918 550556456 /nfs/dbraw/zinc/55/64/56/550556456.db2.gz NBEUPKDQMFSDSK-UHFFFAOYSA-N 1 3 359.518 2.386 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N(C)CC[N@@H+](C)C3CC3)c2)CC1 ZINC000274811918 550556457 /nfs/dbraw/zinc/55/64/57/550556457.db2.gz NBEUPKDQMFSDSK-UHFFFAOYSA-N 1 3 359.518 2.386 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)c2)CC1 ZINC000274818497 550557005 /nfs/dbraw/zinc/55/70/05/550557005.db2.gz NXFAMQZIQROGQG-YLJYHZDGSA-N 1 3 371.529 2.386 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)c2)CC1 ZINC000274818497 550557006 /nfs/dbraw/zinc/55/70/06/550557006.db2.gz NXFAMQZIQROGQG-YLJYHZDGSA-N 1 3 371.529 2.386 20 0 FEADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)CN1CCN(C)CC1 ZINC000274950324 550566942 /nfs/dbraw/zinc/56/69/42/550566942.db2.gz VAKKBUHBYJOHSM-RZUBCFFCSA-N 1 3 358.574 2.370 20 0 FEADHO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277016223 550622271 /nfs/dbraw/zinc/62/22/71/550622271.db2.gz AAJUKCUVHSXGLY-HMXCVIKNSA-N 1 3 372.557 2.182 20 0 FEADHO C[C@@H]1CC[C@@](CO)(N(C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000495238504 561485228 /nfs/dbraw/zinc/48/52/28/561485228.db2.gz HNUYURCXSYIHKF-XMSQKQJNSA-N 1 3 373.541 2.382 20 0 FEADHO C[NH+](C)C1CCN(CCNCc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000280336890 550982368 /nfs/dbraw/zinc/98/23/68/550982368.db2.gz QMANVPPZNWIXFL-UHFFFAOYSA-N 1 3 362.909 2.036 20 0 FEADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)[C@@H]1C ZINC000280899323 551043984 /nfs/dbraw/zinc/04/39/84/551043984.db2.gz OHUJCTZGLBCHCK-WSTZPKSXSA-N 1 3 374.529 2.161 20 0 FEADHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000281333115 551085594 /nfs/dbraw/zinc/08/55/94/551085594.db2.gz LZKUFWYLINROSO-UHFFFAOYSA-N 1 3 374.529 2.270 20 0 FEADHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000281333115 551085596 /nfs/dbraw/zinc/08/55/96/551085596.db2.gz LZKUFWYLINROSO-UHFFFAOYSA-N 1 3 374.529 2.270 20 0 FEADHO CN1CCN(CC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1(C)C ZINC000282502319 551238084 /nfs/dbraw/zinc/23/80/84/551238084.db2.gz WUTDHBODRZQSJB-UHFFFAOYSA-N 1 3 359.493 2.186 20 0 FEADHO CC(C)N1CCN(CCC[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)CC1 ZINC000282588240 551249274 /nfs/dbraw/zinc/24/92/74/551249274.db2.gz GOCAVNVHVFYMAI-UHFFFAOYSA-N 1 3 358.530 2.166 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)CC1 ZINC000282588240 551249277 /nfs/dbraw/zinc/24/92/77/551249277.db2.gz GOCAVNVHVFYMAI-UHFFFAOYSA-N 1 3 358.530 2.166 20 0 FEADHO N[C@H](CC(F)F)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000498214981 561518916 /nfs/dbraw/zinc/51/89/16/561518916.db2.gz AQJRZQCEXCHEST-MRXNPFEDSA-N 1 3 352.429 2.140 20 0 FEADHO CN1CC[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3C(F)(F)F)[C@H]2C1 ZINC000498440148 561524606 /nfs/dbraw/zinc/52/46/06/561524606.db2.gz GIIZINWJPQRYPL-YJNKXOJESA-N 1 3 361.452 2.448 20 0 FEADHO CN1CC[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3C(F)(F)F)[C@H]2C1 ZINC000498440148 561524607 /nfs/dbraw/zinc/52/46/07/561524607.db2.gz GIIZINWJPQRYPL-YJNKXOJESA-N 1 3 361.452 2.448 20 0 FEADHO CN1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000284992695 551685015 /nfs/dbraw/zinc/68/50/15/551685015.db2.gz GMENGCWDTGULTJ-KRWDZBQOSA-N 1 3 351.441 2.308 20 0 FEADHO CN1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000284992695 551685017 /nfs/dbraw/zinc/68/50/17/551685017.db2.gz GMENGCWDTGULTJ-KRWDZBQOSA-N 1 3 351.441 2.308 20 0 FEADHO CN1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000284992695 551685018 /nfs/dbraw/zinc/68/50/18/551685018.db2.gz GMENGCWDTGULTJ-KRWDZBQOSA-N 1 3 351.441 2.308 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)CCN1C ZINC000498894897 561536982 /nfs/dbraw/zinc/53/69/82/561536982.db2.gz WPCWANNFAGXOMY-SJLPKXTDSA-N 1 3 369.513 2.324 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)[C@@H]1CCC[C@H]1O ZINC000286647915 551910507 /nfs/dbraw/zinc/91/05/07/551910507.db2.gz UBLALELFPSUOOZ-NSISKUIASA-N 1 3 359.514 2.001 20 0 FEADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000286912902 551939482 /nfs/dbraw/zinc/93/94/82/551939482.db2.gz AMJWTCYJPCLUST-PXNSSMCTSA-N 1 3 374.529 2.395 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000287250089 551981141 /nfs/dbraw/zinc/98/11/41/551981141.db2.gz XEPTZTZLSGKYAH-DFNIBXOVSA-N 1 3 374.529 2.394 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000287250089 551981142 /nfs/dbraw/zinc/98/11/42/551981142.db2.gz XEPTZTZLSGKYAH-DFNIBXOVSA-N 1 3 374.529 2.394 20 0 FEADHO COCOc1ccc(OC)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000289799068 552380450 /nfs/dbraw/zinc/38/04/50/552380450.db2.gz MOJPUODVXJVIGI-UHFFFAOYSA-N 1 3 365.518 2.136 20 0 FEADHO CC(C)N1CCN(CCC[NH+]2CCC(CO)(c3ccccc3)CC2)CC1 ZINC000293425039 552822189 /nfs/dbraw/zinc/82/21/89/552822189.db2.gz TUTZLUNHRFATAE-UHFFFAOYSA-N 1 3 359.558 2.429 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCCCC[NH+]1CCCC1 ZINC000293764147 552854157 /nfs/dbraw/zinc/85/41/57/552854157.db2.gz SBJPTKZNLJZRFL-UHFFFAOYSA-N 1 3 374.529 2.377 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000294496592 552910851 /nfs/dbraw/zinc/91/08/51/552910851.db2.gz IAWQBERSNZISOX-VDGAXYAQSA-N 1 3 352.494 2.456 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000294496592 552910853 /nfs/dbraw/zinc/91/08/53/552910853.db2.gz IAWQBERSNZISOX-VDGAXYAQSA-N 1 3 352.494 2.456 20 0 FEADHO OCCCN1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000295045202 552953873 /nfs/dbraw/zinc/95/38/73/552953873.db2.gz FFJIZPAUTZSCNG-FNAHDJPLSA-N 1 3 357.542 2.333 20 0 FEADHO OCCCN1CCC[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000295045202 552953876 /nfs/dbraw/zinc/95/38/76/552953876.db2.gz FFJIZPAUTZSCNG-FNAHDJPLSA-N 1 3 357.542 2.333 20 0 FEADHO OCCCN1CCC[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000295045202 552953878 /nfs/dbraw/zinc/95/38/78/552953878.db2.gz FFJIZPAUTZSCNG-FNAHDJPLSA-N 1 3 357.542 2.333 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296048026 553095380 /nfs/dbraw/zinc/09/53/80/553095380.db2.gz BNCPTKHTTWGEEI-UHFFFAOYSA-N 1 3 372.513 2.128 20 0 FEADHO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccnn2CCN(C)C)c1 ZINC000297312752 553276809 /nfs/dbraw/zinc/27/68/09/553276809.db2.gz IBWZDWZFLLISOS-UHFFFAOYSA-N 1 3 358.490 2.218 20 0 FEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccnn2CCN(C)C)c1 ZINC000297312752 553276810 /nfs/dbraw/zinc/27/68/10/553276810.db2.gz IBWZDWZFLLISOS-UHFFFAOYSA-N 1 3 358.490 2.218 20 0 FEADHO C[C@@H]([NH2+]C1(CNC(=O)NCCN(C)C2CC2)CCOCC1)c1ccccc1 ZINC000503019909 561632476 /nfs/dbraw/zinc/63/24/76/561632476.db2.gz ALDNKONJQWXWAP-QGZVFWFLSA-N 1 3 374.529 2.280 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)[C@@H]1SC ZINC000298500830 553432900 /nfs/dbraw/zinc/43/29/00/553432900.db2.gz QJQAPSAVQRJYMW-OTWHNJEPSA-N 1 3 364.559 2.092 20 0 FEADHO CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298507617 553433831 /nfs/dbraw/zinc/43/38/31/553433831.db2.gz QTRZLEMVTBSKAU-HXUWFJFHSA-N 1 3 352.482 2.340 20 0 FEADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)NC1CC[NH+](CC2CC2)CC1 ZINC000298877739 553484284 /nfs/dbraw/zinc/48/42/84/553484284.db2.gz NITZWXWQBPGDKW-HXUWFJFHSA-N 1 3 356.514 2.435 20 0 FEADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(OCCO)CCOCC3)CC2)C1 ZINC000503932442 561650262 /nfs/dbraw/zinc/65/02/62/561650262.db2.gz YTGRYSNFDSARIF-MJGOQNOKSA-N 1 3 354.535 2.177 20 0 FEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC3(OCCO)CCOCC3)CC2)C1 ZINC000503932442 561650263 /nfs/dbraw/zinc/65/02/63/561650263.db2.gz YTGRYSNFDSARIF-MJGOQNOKSA-N 1 3 354.535 2.177 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCc4ccccc4C3)CC2)CC1 ZINC000299558388 553581010 /nfs/dbraw/zinc/58/10/10/553581010.db2.gz MDQIWLIXHRLJGB-HXUWFJFHSA-N 1 3 370.541 2.402 20 0 FEADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccc(Br)cc1 ZINC000314601969 553759465 /nfs/dbraw/zinc/75/94/65/553759465.db2.gz SNVSGMBNHMFPBR-XJKSGUPXSA-N 1 3 369.303 2.263 20 0 FEADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc(Br)cc1 ZINC000314601969 553759469 /nfs/dbraw/zinc/75/94/69/553759469.db2.gz SNVSGMBNHMFPBR-XJKSGUPXSA-N 1 3 369.303 2.263 20 0 FEADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc(Br)cc1 ZINC000314601969 553759470 /nfs/dbraw/zinc/75/94/70/553759470.db2.gz SNVSGMBNHMFPBR-XJKSGUPXSA-N 1 3 369.303 2.263 20 0 FEADHO COc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1OC(C)C ZINC000530641422 562418736 /nfs/dbraw/zinc/41/87/36/562418736.db2.gz UPBQUXFVIOAGIO-UHFFFAOYSA-N 1 3 351.491 2.048 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000530641407 562418794 /nfs/dbraw/zinc/41/87/94/562418794.db2.gz MFMPBUDFZLDSJF-UHFFFAOYSA-N 1 3 361.408 2.080 20 0 FEADHO C[C@@H]1C[C@@H](Nc2ncc(Cl)c(N[C@@H]3CC[N@H+](C)[C@H](C)C3)n2)CCN1C ZINC000330196374 554083104 /nfs/dbraw/zinc/08/31/04/554083104.db2.gz QCYOZULKCKTGEN-TUVASFSCSA-N 1 3 366.941 2.919 20 0 FEADHO C[C@@H]1C[C@@H](Nc2ncc(Cl)c(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)n2)CCN1C ZINC000330196374 554083106 /nfs/dbraw/zinc/08/31/06/554083106.db2.gz QCYOZULKCKTGEN-TUVASFSCSA-N 1 3 366.941 2.919 20 0 FEADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3ccc4c(c3)oc(=O)n4C)CC2)C[C@H](C)O1 ZINC000507835135 561742567 /nfs/dbraw/zinc/74/25/67/561742567.db2.gz XWTMBOXJGMLVGD-IYBDPMFKSA-N 1 3 373.497 2.453 20 0 FEADHO C[C@@H]1C[N@H+](CC2CCN(Cc3ccc4c(c3)oc(=O)n4C)CC2)C[C@H](C)O1 ZINC000507835135 561742569 /nfs/dbraw/zinc/74/25/69/561742569.db2.gz XWTMBOXJGMLVGD-IYBDPMFKSA-N 1 3 373.497 2.453 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000331066799 554208195 /nfs/dbraw/zinc/20/81/95/554208195.db2.gz YNPMJURVWCYGJM-UHFFFAOYSA-N 1 3 353.532 2.147 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)c(C)c2)CC1 ZINC000333126013 554576296 /nfs/dbraw/zinc/57/62/96/554576296.db2.gz IXSBXVNLMHIHPK-ROUUACIJSA-N 1 3 371.529 2.210 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]([NH3+])[C@H](C)C3)c(C)c2)CC1 ZINC000333167265 554582739 /nfs/dbraw/zinc/58/27/39/554582739.db2.gz PAARUXJAOTVHAZ-AEFFLSMTSA-N 1 3 359.518 2.338 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)c(C)c2)CC1 ZINC000333167268 554582742 /nfs/dbraw/zinc/58/27/42/554582742.db2.gz PAARUXJAOTVHAZ-FUHWJXTLSA-N 1 3 359.518 2.338 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)CC1 ZINC000333258045 554595268 /nfs/dbraw/zinc/59/52/68/554595268.db2.gz DMVZQVLANPVWCC-APWZRJJASA-N 1 3 357.502 2.044 20 0 FEADHO CN1CCC([NH+]2CCC(NC(=O)Nc3ccc4c(c3)CNCC4)CC2)CC1 ZINC000333288193 554599001 /nfs/dbraw/zinc/59/90/01/554599001.db2.gz IVQBTUUJIKBEQH-UHFFFAOYSA-N 1 3 371.529 2.012 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000333693704 554634214 /nfs/dbraw/zinc/63/42/14/554634214.db2.gz QASDOXUGLXRCNB-UKBAYJJMSA-N 1 3 366.550 2.035 20 0 FEADHO COCc1ccccc1/C=C(/C)C[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000510905775 561850257 /nfs/dbraw/zinc/85/02/57/561850257.db2.gz ITFWASDVINYUMV-LYDJUCFBSA-N 1 3 359.514 2.413 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCC3(N4CCSCC4)CCCC3)C[C@H]21 ZINC000333937190 554658607 /nfs/dbraw/zinc/65/86/07/554658607.db2.gz LICZSSIHAYJROK-GVDBMIGSSA-N 1 3 366.575 2.117 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333944716 554659288 /nfs/dbraw/zinc/65/92/88/554659288.db2.gz SGBPLUBPKFTKEO-BRWVUGGUSA-N 1 3 366.575 2.035 20 0 FEADHO CC(C)CCC[C@@H](C)NC(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362263551 554959252 /nfs/dbraw/zinc/95/92/52/554959252.db2.gz WVLPARWEIFSBKJ-UYAOXDASSA-N 1 3 366.594 2.418 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000363081382 555026017 /nfs/dbraw/zinc/02/60/17/555026017.db2.gz PZCXFWYFMGICOJ-TZIWHRDSSA-N 1 3 370.541 2.250 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000363081382 555026020 /nfs/dbraw/zinc/02/60/20/555026020.db2.gz PZCXFWYFMGICOJ-TZIWHRDSSA-N 1 3 370.541 2.250 20 0 FEADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000363146236 555040026 /nfs/dbraw/zinc/04/00/26/555040026.db2.gz YBACEXMAGMFYBQ-PMACEKPBSA-N 1 3 366.594 2.373 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H]2CSC[C@@H]2C)CC1 ZINC000512176626 561894890 /nfs/dbraw/zinc/89/48/90/561894890.db2.gz DDZMXAKLRFCKCH-LPHOPBHVSA-N 1 3 361.555 2.417 20 0 FEADHO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000364731713 555388332 /nfs/dbraw/zinc/38/83/32/555388332.db2.gz CBVGABRMHPLZSH-QGZVFWFLSA-N 1 3 367.497 2.182 20 0 FEADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000364731713 555388334 /nfs/dbraw/zinc/38/83/34/555388334.db2.gz CBVGABRMHPLZSH-QGZVFWFLSA-N 1 3 367.497 2.182 20 0 FEADHO C[C@H](CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1)N1CCC[C@H](C)C1 ZINC000365280867 555530679 /nfs/dbraw/zinc/53/06/79/555530679.db2.gz VIHQNPUVAGCCPI-ZWKOTPCHSA-N 1 3 361.534 2.219 20 0 FEADHO CN1CCC[C@H](N2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)C1 ZINC000365367434 555555189 /nfs/dbraw/zinc/55/51/89/555555189.db2.gz SIFVSMDJFLWJSA-NRFANRHFSA-N 1 3 370.541 2.134 20 0 FEADHO CN(C(=O)C1CC[NH+](C2CC2)CC1)C1CCN(CCc2ccncc2)CC1 ZINC000365937509 555705927 /nfs/dbraw/zinc/70/59/27/555705927.db2.gz RDMRGKHCSJQLRG-UHFFFAOYSA-N 1 3 370.541 2.421 20 0 FEADHO CC1CCN(CC(=O)N(C)C2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000366146463 555764248 /nfs/dbraw/zinc/76/42/48/555764248.db2.gz VZRKVSRSVJFIGR-UHFFFAOYSA-N 1 3 358.530 2.279 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000366635446 555895850 /nfs/dbraw/zinc/89/58/50/555895850.db2.gz LWBJYBHTKYJPGG-JLAWEPINSA-N 1 3 366.550 2.049 20 0 FEADHO CC(C)[NH+](CCCNC(=O)N=c1ccn(C2CCN(C)CC2)[nH]1)C(C)C ZINC000366789419 555934501 /nfs/dbraw/zinc/93/45/01/555934501.db2.gz PYLVHPZYQKZBDK-UHFFFAOYSA-N 1 3 364.538 2.780 20 0 FEADHO CCC[C@H]1CNCCN1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000514590924 561968128 /nfs/dbraw/zinc/96/81/28/561968128.db2.gz OYJJHDVXOZBYRP-PMACEKPBSA-N 1 3 374.529 2.061 20 0 FEADHO CCC[C@H]1CNCCN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000514590924 561968129 /nfs/dbraw/zinc/96/81/29/561968129.db2.gz OYJJHDVXOZBYRP-PMACEKPBSA-N 1 3 374.529 2.061 20 0 FEADHO CCC[C@H]1CNCCN1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000514590924 561968130 /nfs/dbraw/zinc/96/81/30/561968130.db2.gz OYJJHDVXOZBYRP-PMACEKPBSA-N 1 3 374.529 2.061 20 0 FEADHO C[C@@H]1C[C@@H](CNC(=O)N2CCN3CCC2CC3)C[N@@H+]1Cc1ccccc1 ZINC000367409959 556040941 /nfs/dbraw/zinc/04/09/41/556040941.db2.gz KRHLKOJZSSIHKI-MJGOQNOKSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1C[C@@H](CNC(=O)N2CCN3CCC2CC3)C[N@H+]1Cc1ccccc1 ZINC000367409959 556040942 /nfs/dbraw/zinc/04/09/42/556040942.db2.gz KRHLKOJZSSIHKI-MJGOQNOKSA-N 1 3 356.514 2.387 20 0 FEADHO CN1CCC[C@H](CNC(=O)C2C[NH2+]C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000367823562 556148140 /nfs/dbraw/zinc/14/81/40/556148140.db2.gz VGLGFLDKCPEBTR-CZUORRHYSA-N 1 3 355.404 2.424 20 0 FEADHO CN(C[C@H](O)Cc1cccc(Cl)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367849749 556154063 /nfs/dbraw/zinc/15/40/63/556154063.db2.gz QEVNXKVFESKNEN-VQTJNVASSA-N 1 3 365.949 2.344 20 0 FEADHO CN(C[C@H](O)Cc1cccc(Cl)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367849749 556154065 /nfs/dbraw/zinc/15/40/65/556154065.db2.gz QEVNXKVFESKNEN-VQTJNVASSA-N 1 3 365.949 2.344 20 0 FEADHO CCOC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000514931917 561987377 /nfs/dbraw/zinc/98/73/77/561987377.db2.gz CGPUCOIYVKFZAW-KZNAEPCWSA-N 1 3 364.486 2.065 20 0 FEADHO C[C@@H]1CN(Cc2cn(C)nc2-c2ccncc2)CCN1C1CC[NH+](C)CC1 ZINC000368581348 556352343 /nfs/dbraw/zinc/35/23/43/556352343.db2.gz AWKXIGSTQYTUNP-QGZVFWFLSA-N 1 3 368.529 2.082 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000515755891 562021225 /nfs/dbraw/zinc/02/12/25/562021225.db2.gz UTEFGYBRBBERCK-OXJNMPFZSA-N 1 3 371.529 2.485 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000515755891 562021227 /nfs/dbraw/zinc/02/12/27/562021227.db2.gz UTEFGYBRBBERCK-OXJNMPFZSA-N 1 3 371.529 2.485 20 0 FEADHO C[C@H](CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)[N@H+](C)C1CC1 ZINC000369200501 556534054 /nfs/dbraw/zinc/53/40/54/556534054.db2.gz KJTSLKPUIFOIJS-AEFFLSMTSA-N 1 3 359.518 2.076 20 0 FEADHO C[C@H](CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)[N@@H+](C)C1CC1 ZINC000369200501 556534060 /nfs/dbraw/zinc/53/40/60/556534060.db2.gz KJTSLKPUIFOIJS-AEFFLSMTSA-N 1 3 359.518 2.076 20 0 FEADHO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000516014796 562027996 /nfs/dbraw/zinc/02/79/96/562027996.db2.gz OIMIMLDAAIVRFE-QGZVFWFLSA-N 1 3 374.529 2.092 20 0 FEADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369394301 556589165 /nfs/dbraw/zinc/58/91/65/556589165.db2.gz HAIONBWNGZCBDO-AKHDSKFASA-N 1 3 368.566 2.151 20 0 FEADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369394301 556589167 /nfs/dbraw/zinc/58/91/67/556589167.db2.gz HAIONBWNGZCBDO-AKHDSKFASA-N 1 3 368.566 2.151 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000370055314 556768590 /nfs/dbraw/zinc/76/85/90/556768590.db2.gz IKHFHQONVDWUHM-PMACEKPBSA-N 1 3 373.545 2.419 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000370055314 556768592 /nfs/dbraw/zinc/76/85/92/556768592.db2.gz IKHFHQONVDWUHM-PMACEKPBSA-N 1 3 373.545 2.419 20 0 FEADHO CC(C)C[N@@H+]1CCCN(C(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000370058128 556769365 /nfs/dbraw/zinc/76/93/65/556769365.db2.gz SUSXOGPPDXTINC-UHFFFAOYSA-N 1 3 368.566 2.249 20 0 FEADHO CC(C)C[N@H+]1CCCN(C(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000370058128 556769368 /nfs/dbraw/zinc/76/93/68/556769368.db2.gz SUSXOGPPDXTINC-UHFFFAOYSA-N 1 3 368.566 2.249 20 0 FEADHO CC(C)[C@H](C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)N(C)C ZINC000370217211 556813948 /nfs/dbraw/zinc/81/39/48/556813948.db2.gz XEKAMULDWVCKAU-HXUWFJFHSA-N 1 3 366.594 2.227 20 0 FEADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000370369816 556853083 /nfs/dbraw/zinc/85/30/83/556853083.db2.gz LSRVBWDTCIBTAA-YLJYHZDGSA-N 1 3 373.545 2.116 20 0 FEADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000370369816 556853086 /nfs/dbraw/zinc/85/30/86/556853086.db2.gz LSRVBWDTCIBTAA-YLJYHZDGSA-N 1 3 373.545 2.116 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000370609888 556920925 /nfs/dbraw/zinc/92/09/25/556920925.db2.gz GCTCJXZWAFJCIS-XUVXKRRUSA-N 1 3 356.514 2.236 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000370609888 556920928 /nfs/dbraw/zinc/92/09/28/556920928.db2.gz GCTCJXZWAFJCIS-XUVXKRRUSA-N 1 3 356.514 2.236 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)C[C@@H](C)O1 ZINC000370653921 556931904 /nfs/dbraw/zinc/93/19/04/556931904.db2.gz VGRJQQMYNUOGOH-SSSFQFABSA-N 1 3 367.578 2.355 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)c2cccn2C2CC[NH2+]CC2)cc1 ZINC000371270603 557126395 /nfs/dbraw/zinc/12/63/95/557126395.db2.gz GJTINQVODJSBSR-UHFFFAOYSA-N 1 3 370.497 2.283 20 0 FEADHO CCC[NH+]1CCC(N2CCN(C(=O)C[C@@H](N)c3ccccc3)CC2)CC1 ZINC000371281658 557130047 /nfs/dbraw/zinc/13/00/47/557130047.db2.gz WNUHSSTWGSQMCM-HXUWFJFHSA-N 1 3 358.530 2.095 20 0 FEADHO CCN1CCN(CCC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000371571059 557226170 /nfs/dbraw/zinc/22/61/70/557226170.db2.gz KEIURQSMBBZMGM-FQEVSTJZSA-N 1 3 364.578 2.129 20 0 FEADHO CC(C)[N@H+](C)CCCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000518440956 562111624 /nfs/dbraw/zinc/11/16/24/562111624.db2.gz BEIQJNOPEHDTKM-UHFFFAOYSA-N 1 3 360.546 2.435 20 0 FEADHO CC(C)[N@@H+](C)CCCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000518440956 562111625 /nfs/dbraw/zinc/11/16/25/562111625.db2.gz BEIQJNOPEHDTKM-UHFFFAOYSA-N 1 3 360.546 2.435 20 0 FEADHO CN1CC[C@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@@H]1c1cccs1 ZINC000372321768 557439021 /nfs/dbraw/zinc/43/90/21/557439021.db2.gz SYYCMZWMCUPCFU-ZMSDIMECSA-N 1 3 350.532 2.334 20 0 FEADHO CCOc1ccc(OCCN2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000372368161 557452004 /nfs/dbraw/zinc/45/20/04/557452004.db2.gz IXFWBWDYZSFADG-IBGZPJMESA-N 1 3 361.530 2.424 20 0 FEADHO CN(CCOCC(F)(F)C(F)(F)F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372745235 557552781 /nfs/dbraw/zinc/55/27/81/557552781.db2.gz SZPRZIVKLMAHMI-AWEZNQCLSA-N 1 3 373.410 2.301 20 0 FEADHO CN(CCOCC(F)(F)C(F)(F)F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372745235 557552784 /nfs/dbraw/zinc/55/27/84/557552784.db2.gz SZPRZIVKLMAHMI-AWEZNQCLSA-N 1 3 373.410 2.301 20 0 FEADHO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000373172323 557643057 /nfs/dbraw/zinc/64/30/57/557643057.db2.gz INZSJPCMJXSIBX-CEWLAPEOSA-N 1 3 364.530 2.385 20 0 FEADHO COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@@H](N(C)Cc2ccccc2)CC1 ZINC000373172323 557643058 /nfs/dbraw/zinc/64/30/58/557643058.db2.gz INZSJPCMJXSIBX-CEWLAPEOSA-N 1 3 364.530 2.385 20 0 FEADHO C[C@H]1CN(CCC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000374189240 557840436 /nfs/dbraw/zinc/84/04/36/557840436.db2.gz HFUNIGGZLCEELD-IRXDYDNUSA-N 1 3 351.535 2.066 20 0 FEADHO C[C@@H]1CN(CCC(=O)Nc2ccc(F)cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000374616307 557907188 /nfs/dbraw/zinc/90/71/88/557907188.db2.gz YWWJORFZSIXVIB-MRXNPFEDSA-N 1 3 362.493 2.255 20 0 FEADHO C[C@@H]1CN(CCC(=O)Nc2ccc(F)cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000374616307 557907189 /nfs/dbraw/zinc/90/71/89/557907189.db2.gz YWWJORFZSIXVIB-MRXNPFEDSA-N 1 3 362.493 2.255 20 0 FEADHO C[C@@H]1CN(CCC(=O)Nc2ccc(F)cc2)CCN1C1CC[NH+](C)CC1 ZINC000374616307 557907190 /nfs/dbraw/zinc/90/71/90/557907190.db2.gz YWWJORFZSIXVIB-MRXNPFEDSA-N 1 3 362.493 2.255 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000376021165 558114846 /nfs/dbraw/zinc/11/48/46/558114846.db2.gz ZHWPKDXFZIBVDQ-GBESFXJTSA-N 1 3 352.486 2.326 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000376189304 558138383 /nfs/dbraw/zinc/13/83/83/558138383.db2.gz CABOKYHFIPODEZ-NZSAHSFTSA-N 1 3 366.550 2.048 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cc2)CC1 ZINC000376197072 558139617 /nfs/dbraw/zinc/13/96/17/558139617.db2.gz NSCVBRZJXIOIRC-TZIWHRDSSA-N 1 3 370.541 2.433 20 0 FEADHO C[N@H+](CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000376239214 558146367 /nfs/dbraw/zinc/14/63/67/558146367.db2.gz JJANAPHZISKMAD-FUHIMQAGSA-N 1 3 351.535 2.290 20 0 FEADHO C[N@@H+](CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000376239214 558146368 /nfs/dbraw/zinc/14/63/68/558146368.db2.gz JJANAPHZISKMAD-FUHIMQAGSA-N 1 3 351.535 2.290 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCCC[C@@H](CO)C1 ZINC000376499452 558181307 /nfs/dbraw/zinc/18/13/07/558181307.db2.gz FXUNIALYEYQFOS-UYAOXDASSA-N 1 3 373.541 2.250 20 0 FEADHO C[C@@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000376810221 558224379 /nfs/dbraw/zinc/22/43/79/558224379.db2.gz GWHZVWRWLWLNJJ-MJGOQNOKSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000376810221 558224380 /nfs/dbraw/zinc/22/43/80/558224380.db2.gz GWHZVWRWLWLNJJ-MJGOQNOKSA-N 1 3 356.514 2.458 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)NC3(C[NH+](C)C)CCC3)cc2)CC1 ZINC000376959915 558244570 /nfs/dbraw/zinc/24/45/70/558244570.db2.gz DIELFHKQECBGIV-UHFFFAOYSA-N 1 3 374.529 2.443 20 0 FEADHO COCCOCc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000377396903 558332668 /nfs/dbraw/zinc/33/26/68/558332668.db2.gz HIDTZSCHZPKLOW-HXUWFJFHSA-N 1 3 362.514 2.440 20 0 FEADHO C[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000377412191 558335495 /nfs/dbraw/zinc/33/54/95/558335495.db2.gz MYULLQYRQOMNMJ-OJAHFUOMSA-N 1 3 359.514 2.122 20 0 FEADHO C[C@H](NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377412191 558335497 /nfs/dbraw/zinc/33/54/97/558335497.db2.gz MYULLQYRQOMNMJ-OJAHFUOMSA-N 1 3 359.514 2.122 20 0 FEADHO C[C@H](NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377412191 558335499 /nfs/dbraw/zinc/33/54/99/558335499.db2.gz MYULLQYRQOMNMJ-OJAHFUOMSA-N 1 3 359.514 2.122 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000523650733 562216704 /nfs/dbraw/zinc/21/67/04/562216704.db2.gz OECPCAFNOUYQOB-OTWHNJEPSA-N 1 3 353.551 2.456 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000523650733 562216705 /nfs/dbraw/zinc/21/67/05/562216705.db2.gz OECPCAFNOUYQOB-OTWHNJEPSA-N 1 3 353.551 2.456 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CC1 ZINC000378529198 558575998 /nfs/dbraw/zinc/57/59/98/558575998.db2.gz MRNQZWSCWACVHL-RBUKOAKNSA-N 1 3 350.551 2.480 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCCN(C(C)C)CC2)[C@@H](C)C1 ZINC000523769173 562219398 /nfs/dbraw/zinc/21/93/98/562219398.db2.gz KAHGERCTYJPSMY-RBUKOAKNSA-N 1 3 368.566 2.249 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCCN(C(C)C)CC2)[C@@H](C)C1 ZINC000523769173 562219399 /nfs/dbraw/zinc/21/93/99/562219399.db2.gz KAHGERCTYJPSMY-RBUKOAKNSA-N 1 3 368.566 2.249 20 0 FEADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc2c(c1)C[NH2+]C2 ZINC000391148715 558613809 /nfs/dbraw/zinc/61/38/09/558613809.db2.gz VRLSKDNKAHAHHN-OAQYLSRUSA-N 1 3 365.477 2.311 20 0 FEADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000524516609 562229756 /nfs/dbraw/zinc/22/97/56/562229756.db2.gz BFLOJJGKUBZTJN-KURKYZTESA-N 1 3 368.566 2.105 20 0 FEADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411229529 558857171 /nfs/dbraw/zinc/85/71/71/558857171.db2.gz USTJJZSJHHNAFF-LJQANCHMSA-N 1 3 374.529 2.376 20 0 FEADHO Cc1cc(NC(=O)C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)ccc1C[NH+](C)C ZINC000411522150 558910131 /nfs/dbraw/zinc/91/01/31/558910131.db2.gz VMUJMCBHBXAGAB-APWZRJJASA-N 1 3 372.513 2.080 20 0 FEADHO COC(=O)[C@]1(C)CCCN1CCC(C)CC[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000411562752 558918220 /nfs/dbraw/zinc/91/82/20/558918220.db2.gz BYFWJERXYVXDSF-PMACEKPBSA-N 1 3 368.518 2.458 20 0 FEADHO COC(=O)[C@]1(C)CCCN1CCC(C)CC[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000411562752 558918222 /nfs/dbraw/zinc/91/82/22/558918222.db2.gz BYFWJERXYVXDSF-PMACEKPBSA-N 1 3 368.518 2.458 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)N[C@@H]3CCN(C)[C@@H](C)C3)CCCC2)CC1 ZINC000525812405 562255934 /nfs/dbraw/zinc/25/59/34/562255934.db2.gz DTFVMZCDFVYEPC-DLBZAZTESA-N 1 3 366.550 2.192 20 0 FEADHO CC[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)N(C)C ZINC000413634969 559121737 /nfs/dbraw/zinc/12/17/37/559121737.db2.gz NMCYBXUEGULJAQ-CEXWTWQISA-N 1 3 352.567 2.122 20 0 FEADHO CC[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)N(C)C ZINC000413634969 559121738 /nfs/dbraw/zinc/12/17/38/559121738.db2.gz NMCYBXUEGULJAQ-CEXWTWQISA-N 1 3 352.567 2.122 20 0 FEADHO CC1(C(=O)N[C@H](CO)CN2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000413819082 559132295 /nfs/dbraw/zinc/13/22/95/559132295.db2.gz OJSSMRXJIAWZFM-FQEVSTJZSA-N 1 3 373.541 2.252 20 0 FEADHO CN1CCC(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)(N2CCOCC2)CC1 ZINC000414185101 559152056 /nfs/dbraw/zinc/15/20/56/559152056.db2.gz GHVMZAKNYGVLPW-QGZVFWFLSA-N 1 3 368.525 2.021 20 0 FEADHO CCCCO[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1(C)C ZINC000414197648 559152661 /nfs/dbraw/zinc/15/26/61/559152661.db2.gz PRQFZYGOGUWIRL-RBUKOAKNSA-N 1 3 367.578 2.356 20 0 FEADHO Cc1ccc2cc(C[NH2+]CC3(N4CCOCC4)CCN(C)CC3)ccc2n1 ZINC000414488081 559168003 /nfs/dbraw/zinc/16/80/03/559168003.db2.gz SXFRDONBDFUIRX-UHFFFAOYSA-N 1 3 368.525 2.429 20 0 FEADHO CCc1cc(OC)ccc1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414487510 559168047 /nfs/dbraw/zinc/16/80/47/559168047.db2.gz SIMJDSVGYFZXBB-UHFFFAOYSA-N 1 3 361.530 2.144 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)C1 ZINC000414695000 559180288 /nfs/dbraw/zinc/18/02/88/559180288.db2.gz OLGZPDPIRPFNCN-IEBWSBKVSA-N 1 3 363.477 2.004 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)C1 ZINC000414695000 559180289 /nfs/dbraw/zinc/18/02/89/559180289.db2.gz OLGZPDPIRPFNCN-IEBWSBKVSA-N 1 3 363.477 2.004 20 0 FEADHO Cc1cccc(NC(=O)CN2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1C ZINC000414746843 559184589 /nfs/dbraw/zinc/18/45/89/559184589.db2.gz ZWGDINRRNNPRLY-PKOBYXMFSA-N 1 3 358.530 2.248 20 0 FEADHO COc1ccc(OCc2ccccn2)c(CNCCCN2CC[NH2+]CC2)c1 ZINC000414787547 559187696 /nfs/dbraw/zinc/18/76/96/559187696.db2.gz YZNCMUCGUYSZIT-UHFFFAOYSA-N 1 3 370.497 2.054 20 0 FEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414817505 559189495 /nfs/dbraw/zinc/18/94/95/559189495.db2.gz ASTSUWUVJGEAIJ-HNNXBMFYSA-N 1 3 372.513 2.245 20 0 FEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414817505 559189496 /nfs/dbraw/zinc/18/94/96/559189496.db2.gz ASTSUWUVJGEAIJ-HNNXBMFYSA-N 1 3 372.513 2.245 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000414853836 559190862 /nfs/dbraw/zinc/19/08/62/559190862.db2.gz TZOTVVWUFSRIQH-YJBOKZPZSA-N 1 3 367.534 2.064 20 0 FEADHO Cc1cc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc2cccnc12 ZINC000414984354 559198881 /nfs/dbraw/zinc/19/88/81/559198881.db2.gz LXOISOPBXUWFLL-MRXNPFEDSA-N 1 3 352.404 2.469 20 0 FEADHO FC(F)(F)[C@@H](CNCc1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000414994533 559199565 /nfs/dbraw/zinc/19/95/65/559199565.db2.gz VKUBCDXLXSNDBK-CYBMUJFWSA-N 1 3 366.225 2.375 20 0 FEADHO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415473100 559241086 /nfs/dbraw/zinc/24/10/86/559241086.db2.gz BLTPLJJBJQPJJA-UHFFFAOYSA-N 1 3 360.502 2.245 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000415505844 559244796 /nfs/dbraw/zinc/24/47/96/559244796.db2.gz QXOFLTHMCAWWML-SFHVURJKSA-N 1 3 362.518 2.299 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c1 ZINC000415930370 559283148 /nfs/dbraw/zinc/28/31/48/559283148.db2.gz IYAWUESMOIADMR-LJQANCHMSA-N 1 3 361.534 2.190 20 0 FEADHO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415960536 559285266 /nfs/dbraw/zinc/28/52/66/559285266.db2.gz PXGZMRQJNKVBPO-UHFFFAOYSA-N 1 3 366.481 2.294 20 0 FEADHO [NH3+]Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000415970700 559285897 /nfs/dbraw/zinc/28/58/97/559285897.db2.gz FSRQLDPCXMVKRL-UYAOXDASSA-N 1 3 368.481 2.150 20 0 FEADHO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC000415995788 559287979 /nfs/dbraw/zinc/28/79/79/559287979.db2.gz LQARMCOHVCARON-SFHVURJKSA-N 1 3 370.453 2.235 20 0 FEADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000416005738 559288918 /nfs/dbraw/zinc/28/89/18/559288918.db2.gz KDIJUTBIWITRBI-HNNXBMFYSA-N 1 3 360.424 2.348 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416018967 559289487 /nfs/dbraw/zinc/28/94/87/559289487.db2.gz ZNDAGCFUVGPJBX-VNQPRFMTSA-N 1 3 372.435 2.476 20 0 FEADHO CN(C)[C@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)Cc1ccccc1 ZINC000416827510 559333998 /nfs/dbraw/zinc/33/39/98/559333998.db2.gz CUIXORLTUMOQBV-FQEVSTJZSA-N 1 3 352.482 2.262 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000416827109 559334060 /nfs/dbraw/zinc/33/40/60/559334060.db2.gz QTSZZAYMVSEBCD-SUMDDJOVSA-N 1 3 360.502 2.259 20 0 FEADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000416836950 559334546 /nfs/dbraw/zinc/33/45/46/559334546.db2.gz HBRHXKFNRDXSKR-WOJBJXKFSA-N 1 3 356.514 2.292 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NCCC[NH2+]C2CC2)N2CCCC2)c1 ZINC000416855077 559335434 /nfs/dbraw/zinc/33/54/34/559335434.db2.gz PUASHJYCNZCVJN-LJQANCHMSA-N 1 3 360.502 2.273 20 0 FEADHO CN(C)[C@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)Cc1ccccc1 ZINC000416858805 559335616 /nfs/dbraw/zinc/33/56/16/559335616.db2.gz ZGGRXUZQCNZNCF-FQEVSTJZSA-N 1 3 354.498 2.330 20 0 FEADHO [NH3+]CC[C@H](NC(=O)NCc1ccccc1CN1CCCCC1)C(F)F ZINC000416910324 559337733 /nfs/dbraw/zinc/33/77/33/559337733.db2.gz ZKWSFYDEBVAHQF-INIZCTEOSA-N 1 3 354.445 2.454 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC3CCN(CCc4ccccc4)CC3)C[C@H]21 ZINC000416970333 559340865 /nfs/dbraw/zinc/34/08/65/559340865.db2.gz DZLFECYWSDXTJP-HMXCVIKNSA-N 1 3 370.541 2.462 20 0 FEADHO COCCNCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000416973167 559341248 /nfs/dbraw/zinc/34/12/48/559341248.db2.gz JIZGQRHKILLGSV-KRWDZBQOSA-N 1 3 362.518 2.096 20 0 FEADHO COCCNCCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000416973167 559341249 /nfs/dbraw/zinc/34/12/49/559341249.db2.gz JIZGQRHKILLGSV-KRWDZBQOSA-N 1 3 362.518 2.096 20 0 FEADHO C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@H](N)c2ccccc2)c1 ZINC000416978089 559341656 /nfs/dbraw/zinc/34/16/56/559341656.db2.gz UVXWSESIUVIRSH-LJQANCHMSA-N 1 3 356.470 2.126 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000416991710 559342512 /nfs/dbraw/zinc/34/25/12/559342512.db2.gz ORIXPQVMWZZSJZ-IAGOWNOFSA-N 1 3 362.518 2.299 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccsc1 ZINC000416997985 559342813 /nfs/dbraw/zinc/34/28/13/559342813.db2.gz AKWVZKQBDWRDKA-HYVNUMGLSA-N 1 3 350.532 2.382 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2ccccc2C1 ZINC000417014237 559343716 /nfs/dbraw/zinc/34/37/16/559343716.db2.gz KVNCRWGAEDNNCG-YZGWKJHDSA-N 1 3 356.514 2.074 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3C[C@H](C[NH3+])C[C@@H]3C)CC2)cc1 ZINC000417338102 559358168 /nfs/dbraw/zinc/35/81/68/559358168.db2.gz YBKMAVJWIPIOCV-LPHOPBHVSA-N 1 3 374.529 2.286 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417356955 559359031 /nfs/dbraw/zinc/35/90/31/559359031.db2.gz COCBERHCDIWBEE-GVDBMIGSSA-N 1 3 362.543 2.211 20 0 FEADHO C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@H](C)CN1 ZINC000417368672 559359524 /nfs/dbraw/zinc/35/95/24/559359524.db2.gz QFYABHTWFZRJBS-BZUAXINKSA-N 1 3 350.532 2.352 20 0 FEADHO C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H](C)CN1 ZINC000417368672 559359525 /nfs/dbraw/zinc/35/95/25/559359525.db2.gz QFYABHTWFZRJBS-BZUAXINKSA-N 1 3 350.532 2.352 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417374303 559359900 /nfs/dbraw/zinc/35/99/00/559359900.db2.gz XXQBLUYNHZFYGU-WBVHZDCISA-N 1 3 362.543 2.496 20 0 FEADHO C[C@H](NC(=O)NCc1ccc(OCCN2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000417590162 559368291 /nfs/dbraw/zinc/36/82/91/559368291.db2.gz HHZNHJFVRBCUTB-HKUYNNGSSA-N 1 3 374.529 2.349 20 0 FEADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417594826 559368599 /nfs/dbraw/zinc/36/85/99/559368599.db2.gz NBPSMDQFBCHZPK-MSOLQXFVSA-N 1 3 360.502 2.088 20 0 FEADHO COc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCCN(C)C ZINC000417652339 559370434 /nfs/dbraw/zinc/37/04/34/559370434.db2.gz PCCOALIXWKBBHS-HOCLYGCPSA-N 1 3 364.490 2.240 20 0 FEADHO COc1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCCN(C)C ZINC000417652339 559370435 /nfs/dbraw/zinc/37/04/35/559370435.db2.gz PCCOALIXWKBBHS-HOCLYGCPSA-N 1 3 364.490 2.240 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](N)c2ccccc2)[C@@H](C)C1 ZINC000417666700 559371570 /nfs/dbraw/zinc/37/15/70/559371570.db2.gz DTDGARFHTPDHSW-WDSOQIARSA-N 1 3 362.518 2.123 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H](N)c2ccccc2)[C@@H](C)C1 ZINC000417666700 559371571 /nfs/dbraw/zinc/37/15/71/559371571.db2.gz DTDGARFHTPDHSW-WDSOQIARSA-N 1 3 362.518 2.123 20 0 FEADHO COc1cc(NC(=O)N(C)CCN(C)C2CC2)ccc1OCC[NH+](C)C ZINC000417678525 559372023 /nfs/dbraw/zinc/37/20/23/559372023.db2.gz GSSBQGQRLVEJRV-UHFFFAOYSA-N 1 3 364.490 2.194 20 0 FEADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NC[C@H]1CC[NH2+]C1 ZINC000417692019 559372793 /nfs/dbraw/zinc/37/27/93/559372793.db2.gz XTTPIXMRMIJBGD-LPHOPBHVSA-N 1 3 358.530 2.368 20 0 FEADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417691933 559372819 /nfs/dbraw/zinc/37/28/19/559372819.db2.gz XKOHPUHQFCNQJS-ZCNNSNEGSA-N 1 3 370.541 2.320 20 0 FEADHO CN1CCC[C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H]1c1cccs1 ZINC000417733873 559374487 /nfs/dbraw/zinc/37/44/87/559374487.db2.gz JDOVXYCRXOLGAZ-CBZIJGRNSA-N 1 3 362.543 2.382 20 0 FEADHO CC(C)C[C@@H](CNC(=O)N1CCOC2(CNC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417868935 559380163 /nfs/dbraw/zinc/38/01/63/559380163.db2.gz GYKKKAKKGMZVNF-HKUYNNGSSA-N 1 3 374.529 2.136 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N2CCC(OCCC[NH3+])CC2)CN1Cc1ccccc1 ZINC000417871996 559380262 /nfs/dbraw/zinc/38/02/62/559380262.db2.gz KILJTURJDQNSLB-PKOBYXMFSA-N 1 3 374.529 2.189 20 0 FEADHO CN1CC[C@H](NC(=O)NCCC[NH2+]Cc2cccnc2)[C@H]1c1ccccc1 ZINC000417944717 559382987 /nfs/dbraw/zinc/38/29/87/559382987.db2.gz PWLOXUHDTKRQBR-VQTJNVASSA-N 1 3 367.497 2.306 20 0 FEADHO C[C@@H]1CN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)CN1 ZINC000417975181 559384555 /nfs/dbraw/zinc/38/45/55/559384555.db2.gz DMGMHOMZKFVRDQ-MSOLQXFVSA-N 1 3 374.529 2.096 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418014143 559386657 /nfs/dbraw/zinc/38/66/57/559386657.db2.gz NYKQPTPXORRNRZ-BJYDCXRDSA-N 1 3 356.514 2.431 20 0 FEADHO C[NH+](C)CCc1ccc(CNC(=O)NCc2ccc3c(c2)CNC3)cc1 ZINC000418053986 559388369 /nfs/dbraw/zinc/38/83/69/559388369.db2.gz DXKVUMAYKPCKHV-UHFFFAOYSA-N 1 3 352.482 2.393 20 0 FEADHO O=C(NCCC[NH2+]C1CC1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418102125 559390180 /nfs/dbraw/zinc/39/01/80/559390180.db2.gz HCDOMOQDAYUGCP-UHFFFAOYSA-N 1 3 362.440 2.233 20 0 FEADHO O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000418106765 559390303 /nfs/dbraw/zinc/39/03/03/559390303.db2.gz NTQDRPLVVQCFEL-AQNXPRMDSA-N 1 3 356.514 2.150 20 0 FEADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CNCCC1(F)F)C1CC1 ZINC000418143648 559391863 /nfs/dbraw/zinc/39/18/63/559391863.db2.gz MKDVNTRHODFABS-IAGOWNOFSA-N 1 3 366.456 2.193 20 0 FEADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CNCCC1(F)F)C1CC1 ZINC000418143648 559391864 /nfs/dbraw/zinc/39/18/64/559391864.db2.gz MKDVNTRHODFABS-IAGOWNOFSA-N 1 3 366.456 2.193 20 0 FEADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418159284 559392304 /nfs/dbraw/zinc/39/23/04/559392304.db2.gz DDAXLEMVJQLPIP-WBVHZDCISA-N 1 3 360.502 2.038 20 0 FEADHO COC[C@]1(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)CCC[NH2+]1 ZINC000418177912 559393085 /nfs/dbraw/zinc/39/30/85/559393085.db2.gz IAKCFYAOEMGGHP-XKGZKEIXSA-N 1 3 362.518 2.054 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000418194635 559393692 /nfs/dbraw/zinc/39/36/92/559393692.db2.gz PDUKUKWNAHZWPD-IEBWSBKVSA-N 1 3 356.514 2.435 20 0 FEADHO C[NH2+][C@H]1CCCN(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000418202518 559393887 /nfs/dbraw/zinc/39/38/87/559393887.db2.gz IYNIQWPWLWMRDD-PKOBYXMFSA-N 1 3 362.518 2.470 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418227874 559394622 /nfs/dbraw/zinc/39/46/22/559394622.db2.gz DAEJRUHSTYAVOE-PBHICJAKSA-N 1 3 350.532 2.310 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@](C)(C[NH3+])C2)N(C)C)cc1 ZINC000418229942 559394704 /nfs/dbraw/zinc/39/47/04/559394704.db2.gz ILLXJRBLDPTGOB-FUHWJXTLSA-N 1 3 350.532 2.392 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000418229493 559394746 /nfs/dbraw/zinc/39/47/46/559394746.db2.gz HDSIIKZBDZSIFX-UNEWFSDZSA-N 1 3 350.532 2.438 20 0 FEADHO C[NH2+]CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000418293832 559396610 /nfs/dbraw/zinc/39/66/10/559396610.db2.gz PXENTNQTBNKLHG-VQTJNVASSA-N 1 3 370.472 2.312 20 0 FEADHO CCc1ccccc1[C@@H](N)CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418646815 559409336 /nfs/dbraw/zinc/40/93/36/559409336.db2.gz FUIPXDDVRPPGQP-FQEVSTJZSA-N 1 3 354.498 2.462 20 0 FEADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418681512 559411066 /nfs/dbraw/zinc/41/10/66/559411066.db2.gz HDHIVZNDESANCP-RBUKOAKNSA-N 1 3 356.470 2.108 20 0 FEADHO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000418686331 559411165 /nfs/dbraw/zinc/41/11/65/559411165.db2.gz OXXHBQWHEFLXDJ-VQTJNVASSA-N 1 3 356.514 2.402 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418726259 559412608 /nfs/dbraw/zinc/41/26/08/559412608.db2.gz PJNKYPFBUXBHBQ-QAPCUYQASA-N 1 3 350.482 2.416 20 0 FEADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418769255 559415041 /nfs/dbraw/zinc/41/50/41/559415041.db2.gz NCQVKGUPIJAMNQ-SFHVURJKSA-N 1 3 359.518 2.472 20 0 FEADHO CN(C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418783104 559415977 /nfs/dbraw/zinc/41/59/77/559415977.db2.gz FDCAPLLEVVORJV-WCIQWLHISA-N 1 3 356.514 2.290 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418796105 559416467 /nfs/dbraw/zinc/41/64/67/559416467.db2.gz SVOMFAOCFHMKNC-XJKSGUPXSA-N 1 3 354.445 2.165 20 0 FEADHO Brc1ccc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000420310186 559479631 /nfs/dbraw/zinc/47/96/31/559479631.db2.gz FOCKZNHVTAGRAL-CQSZACIVSA-N 1 3 353.308 2.356 20 0 FEADHO CSc1ccccc1NC(=O)CCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420320812 559480045 /nfs/dbraw/zinc/48/00/45/559480045.db2.gz BYKXLCWRLSWPBT-OAHLLOKOSA-N 1 3 363.527 2.424 20 0 FEADHO CSc1ccccc1NC(=O)CC[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000420320812 559480046 /nfs/dbraw/zinc/48/00/46/559480046.db2.gz BYKXLCWRLSWPBT-OAHLLOKOSA-N 1 3 363.527 2.424 20 0 FEADHO CSc1ccccc1NC(=O)CC[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000420320812 559480047 /nfs/dbraw/zinc/48/00/47/559480047.db2.gz BYKXLCWRLSWPBT-OAHLLOKOSA-N 1 3 363.527 2.424 20 0 FEADHO COc1ccc([C@H](C[NH3+])CN2CCNC[C@H]2c2ccccc2OC)cc1 ZINC000420318456 559480061 /nfs/dbraw/zinc/48/00/61/559480061.db2.gz WEPKMIYZOQXCEM-XLIONFOSSA-N 1 3 355.482 2.393 20 0 FEADHO CCOc1ccccc1NC(=O)CCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420321532 559480325 /nfs/dbraw/zinc/48/03/25/559480325.db2.gz CPLAVDHGULCRTP-MRXNPFEDSA-N 1 3 361.486 2.101 20 0 FEADHO CCOc1ccccc1NC(=O)CC[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000420321532 559480326 /nfs/dbraw/zinc/48/03/26/559480326.db2.gz CPLAVDHGULCRTP-MRXNPFEDSA-N 1 3 361.486 2.101 20 0 FEADHO CCOc1ccccc1NC(=O)CC[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000420321532 559480327 /nfs/dbraw/zinc/48/03/27/559480327.db2.gz CPLAVDHGULCRTP-MRXNPFEDSA-N 1 3 361.486 2.101 20 0 FEADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420344937 559482219 /nfs/dbraw/zinc/48/22/19/559482219.db2.gz VBUQDNAVSFHNJZ-IRXDYDNUSA-N 1 3 358.486 2.273 20 0 FEADHO COC(=O)c1cccc(OCCN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420371320 559483639 /nfs/dbraw/zinc/48/36/39/559483639.db2.gz DCJHQNGTGNOLIE-OALUTQOASA-N 1 3 362.470 2.070 20 0 FEADHO NC[C@H]1C[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)CCCO1 ZINC000420398387 559485353 /nfs/dbraw/zinc/48/53/53/559485353.db2.gz YOBOQFNYBFMZLF-FQEVSTJZSA-N 1 3 367.493 2.332 20 0 FEADHO NC[C@H]1C[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)CCCO1 ZINC000420398387 559485354 /nfs/dbraw/zinc/48/53/54/559485354.db2.gz YOBOQFNYBFMZLF-FQEVSTJZSA-N 1 3 367.493 2.332 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N(CC(C)C)C(C)C)CC2)CC1 ZINC000420975349 559516208 /nfs/dbraw/zinc/51/62/08/559516208.db2.gz FRPAZBBCKZLMPB-UHFFFAOYSA-N 1 3 366.594 2.371 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)N(CC(C)C)C(C)C)CC2)CC1 ZINC000420975349 559516209 /nfs/dbraw/zinc/51/62/09/559516209.db2.gz FRPAZBBCKZLMPB-UHFFFAOYSA-N 1 3 366.594 2.371 20 0 FEADHO CC[NH+]1CCC(N2CCCN(CCOCC(F)(F)C(F)F)CC2)CC1 ZINC000420982064 559516720 /nfs/dbraw/zinc/51/67/20/559516720.db2.gz ONRMGHIREICBCW-UHFFFAOYSA-N 1 3 369.447 2.395 20 0 FEADHO O=C(CN1CCC[C@H](CCO)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000421019275 559519856 /nfs/dbraw/zinc/51/98/56/559519856.db2.gz PJHBRFINKSSKFB-IBGZPJMESA-N 1 3 373.541 2.383 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)C[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000422037830 559562126 /nfs/dbraw/zinc/56/21/26/559562126.db2.gz PODQIPXIAYPSJR-FQEVSTJZSA-N 1 3 358.530 2.060 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)C[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000422037830 559562127 /nfs/dbraw/zinc/56/21/27/559562127.db2.gz PODQIPXIAYPSJR-FQEVSTJZSA-N 1 3 358.530 2.060 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422700761 559603336 /nfs/dbraw/zinc/60/33/36/559603336.db2.gz AOODPZPYESPMTD-YVVXQTMVSA-N 1 3 368.319 2.370 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000422713831 559603996 /nfs/dbraw/zinc/60/39/96/559603996.db2.gz KHKMYCMHPROFBR-GDBMZVCRSA-N 1 3 373.588 2.428 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)s1 ZINC000422713831 559603997 /nfs/dbraw/zinc/60/39/97/559603997.db2.gz KHKMYCMHPROFBR-GDBMZVCRSA-N 1 3 373.588 2.428 20 0 FEADHO COc1cccc(N2CCC[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422771432 559606141 /nfs/dbraw/zinc/60/61/41/559606141.db2.gz YDHKCXXWVMDTQB-NASSWSRMSA-N 1 3 359.514 2.411 20 0 FEADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)CC2)cc1 ZINC000422786537 559606563 /nfs/dbraw/zinc/60/65/63/559606563.db2.gz SLEDDEFFCIBSIH-VXKWHMMOSA-N 1 3 373.541 2.264 20 0 FEADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422831588 559607766 /nfs/dbraw/zinc/60/77/66/559607766.db2.gz WTKWLJJHKKYZCF-KWCYVHTRSA-N 1 3 355.866 2.019 20 0 FEADHO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000422831588 559607767 /nfs/dbraw/zinc/60/77/67/559607767.db2.gz WTKWLJJHKKYZCF-KWCYVHTRSA-N 1 3 355.866 2.019 20 0 FEADHO CCN1CCN(c2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000422884437 559609836 /nfs/dbraw/zinc/60/98/36/559609836.db2.gz WZERFMAKJRVISN-HSALFYBXSA-N 1 3 357.546 2.234 20 0 FEADHO C[C@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422909536 559610744 /nfs/dbraw/zinc/61/07/44/559610744.db2.gz GGQZGMVQAVYRMA-PXNSSMCTSA-N 1 3 358.530 2.132 20 0 FEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422912019 559611031 /nfs/dbraw/zinc/61/10/31/559611031.db2.gz MDGBIBLOQYLBRG-ICSRJNTNSA-N 1 3 358.530 2.093 20 0 FEADHO CN(C)CCNC(=O)c1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422913074 559611097 /nfs/dbraw/zinc/61/10/97/559611097.db2.gz XQOVADNZQWIHLJ-PWRODBHTSA-N 1 3 372.557 2.378 20 0 FEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000422977395 559613754 /nfs/dbraw/zinc/61/37/54/559613754.db2.gz KABYCVQUACWFAZ-YUXAGFNASA-N 1 3 353.510 2.172 20 0 FEADHO CCOC(=O)C1([C@@H](C)NC2(c3ccc4c(c3)OCO4)CC2)CC[NH2+]CC1 ZINC000423024259 559615461 /nfs/dbraw/zinc/61/54/61/559615461.db2.gz IZEAQWMDJNZWAY-CQSZACIVSA-N 1 3 360.454 2.315 20 0 FEADHO Clc1cccc2c1CCN(CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000423064705 559617000 /nfs/dbraw/zinc/61/70/00/559617000.db2.gz ZODHKIAXYOQUHS-YZGWKJHDSA-N 1 3 363.933 2.445 20 0 FEADHO Fc1ccc(Br)c2c1CC[C@H]2NCCCN1CC[NH2+]CC1 ZINC000423179529 559622114 /nfs/dbraw/zinc/62/21/14/559622114.db2.gz MLAOQXHJOPVQSJ-OAHLLOKOSA-N 1 3 356.283 2.460 20 0 FEADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423201051 559622719 /nfs/dbraw/zinc/62/27/19/559622719.db2.gz HDXXUCBOEQJMHQ-AEFFLSMTSA-N 1 3 365.493 2.329 20 0 FEADHO C[C@@H]([NH2+][C@H](CN)C1CCCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423262028 559624116 /nfs/dbraw/zinc/62/41/16/559624116.db2.gz LLRIMCXRDSSBME-RDTXWAMCSA-N 1 3 353.532 2.495 20 0 FEADHO Cn1ccnc1[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)C1CC1 ZINC000423578015 559632805 /nfs/dbraw/zinc/63/28/05/559632805.db2.gz TYVOEXBWAOJMKF-LJQANCHMSA-N 1 3 353.514 2.454 20 0 FEADHO CO[C@@H](CN)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000423769002 559639060 /nfs/dbraw/zinc/63/90/60/559639060.db2.gz XXDCZQXYPGZYKG-HNNXBMFYSA-N 1 3 362.301 2.247 20 0 FEADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000423889912 559644107 /nfs/dbraw/zinc/64/41/07/559644107.db2.gz IEEQALSHKPVGAB-AEFFLSMTSA-N 1 3 363.527 2.043 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC4(CC[NH2+]4)CC3)cc2)CC1 ZINC000424059883 559653064 /nfs/dbraw/zinc/65/30/64/559653064.db2.gz WBVBOVFCAZFEOT-UHFFFAOYSA-N 1 3 356.514 2.185 20 0 FEADHO C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424293744 559660931 /nfs/dbraw/zinc/66/09/31/559660931.db2.gz PWKKBPWPMQKLAX-HUUCEWRRSA-N 1 3 365.468 2.476 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000424459746 559666134 /nfs/dbraw/zinc/66/61/34/559666134.db2.gz XHZWQQUCMWCLLC-UHFFFAOYSA-N 1 3 372.513 2.306 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425475127 559704151 /nfs/dbraw/zinc/70/41/51/559704151.db2.gz LQZGFAJHVIGASJ-IRFCIJBXSA-N 1 3 368.525 2.387 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425475127 559704152 /nfs/dbraw/zinc/70/41/52/559704152.db2.gz LQZGFAJHVIGASJ-IRFCIJBXSA-N 1 3 368.525 2.387 20 0 FEADHO CN1C[C@@H]2CCCN(C(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)[C@@H]2C1 ZINC000425662860 559713743 /nfs/dbraw/zinc/71/37/43/559713743.db2.gz KDOLTZWEOALHFI-PCCBWWKXSA-N 1 3 370.541 2.287 20 0 FEADHO CN1C[C@@H]2CCCN(C(=O)NC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)[C@@H]2C1 ZINC000425662860 559713744 /nfs/dbraw/zinc/71/37/44/559713744.db2.gz KDOLTZWEOALHFI-PCCBWWKXSA-N 1 3 370.541 2.287 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC2)c1 ZINC000426784619 559741996 /nfs/dbraw/zinc/74/19/96/559741996.db2.gz SRJYNRUUOOLPDZ-IBGZPJMESA-N 1 3 360.546 2.352 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC2)c1 ZINC000426784619 559741997 /nfs/dbraw/zinc/74/19/97/559741997.db2.gz SRJYNRUUOOLPDZ-IBGZPJMESA-N 1 3 360.546 2.352 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000428752251 559782505 /nfs/dbraw/zinc/78/25/05/559782505.db2.gz ABBJIHBLWPEHLP-UHFFFAOYSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000429012422 559788545 /nfs/dbraw/zinc/78/85/45/559788545.db2.gz UZGFKSKLJQAKTG-RBUKOAKNSA-N 1 3 358.530 2.093 20 0 FEADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430569631 559823012 /nfs/dbraw/zinc/82/30/12/559823012.db2.gz AEUMAKWHNNWRBG-JKSUJKDBSA-N 1 3 358.486 2.201 20 0 FEADHO COC1CCN(C2(CNC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)CCCC2)CC1 ZINC000430709115 559826894 /nfs/dbraw/zinc/82/68/94/559826894.db2.gz WIGHOLJXQWHFJN-QRQLOZEOSA-N 1 3 363.546 2.447 20 0 FEADHO COCC[C@]1(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC[NH2+]C1 ZINC000431057420 559833133 /nfs/dbraw/zinc/83/31/33/559833133.db2.gz NZGPADHJDZZWGA-VQIMIIECSA-N 1 3 365.543 2.093 20 0 FEADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H](CN)c2ccccc2)cc1 ZINC000431045907 559833232 /nfs/dbraw/zinc/83/32/32/559833232.db2.gz SMGGOYWQMHZUIP-SFHVURJKSA-N 1 3 354.454 2.258 20 0 FEADHO C[C@H]1CCN(C(=O)CCCN2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000433130171 559872724 /nfs/dbraw/zinc/87/27/24/559872724.db2.gz HAJLENDZLITICQ-IBGZPJMESA-N 1 3 372.557 2.313 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433278155 559875630 /nfs/dbraw/zinc/87/56/30/559875630.db2.gz FLWKBZIHHNFYAC-RTBURBONSA-N 1 3 368.566 2.299 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433278155 559875631 /nfs/dbraw/zinc/87/56/31/559875631.db2.gz FLWKBZIHHNFYAC-RTBURBONSA-N 1 3 368.566 2.299 20 0 FEADHO C[C@@H]1CCC[C@@](CNC(=O)NCCCN2CCCO[C@@H](C)C2)([NH+](C)C)C1 ZINC000433333880 559877306 /nfs/dbraw/zinc/87/73/06/559877306.db2.gz ISSXWWWXUGMYQP-WSTZPKSXSA-N 1 3 368.566 2.297 20 0 FEADHO CN(C)CCOc1cccc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c1 ZINC000433375829 559879047 /nfs/dbraw/zinc/87/90/47/559879047.db2.gz LYHYQXPNMBGQKB-INIZCTEOSA-N 1 3 357.458 2.000 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000433882468 559889531 /nfs/dbraw/zinc/88/95/31/559889531.db2.gz AELAAABNVXULOI-SFHVURJKSA-N 1 3 365.543 2.245 20 0 FEADHO C[C@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000434376590 559899150 /nfs/dbraw/zinc/89/91/50/559899150.db2.gz FTCDBKNDWFDFJU-FCGDIQPGSA-N 1 3 351.535 2.351 20 0 FEADHO Cc1ccc(-c2n[nH]cc2CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)o1 ZINC000435375492 559921731 /nfs/dbraw/zinc/92/17/31/559921731.db2.gz MPPCYBHYGBUXHF-WBVHZDCISA-N 1 3 371.485 2.058 20 0 FEADHO CCOC(=O)Cn1nc(C)c(CN2CCC(CC[NH+](C)C)CC2)c1C ZINC000437702269 559968209 /nfs/dbraw/zinc/96/82/09/559968209.db2.gz RTHPMCBDLURTKG-UHFFFAOYSA-N 1 3 350.507 2.227 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)cc1 ZINC000444189597 560104962 /nfs/dbraw/zinc/10/49/62/560104962.db2.gz VUKMDTLDXGTRBS-PZJWPPBQSA-N 1 3 357.498 2.023 20 0 FEADHO C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000527674711 562299759 /nfs/dbraw/zinc/29/97/59/562299759.db2.gz JXDDPOFZCZBQED-IBGZPJMESA-N 1 3 374.529 2.443 20 0 FEADHO CN(C)[C@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000444888685 560124000 /nfs/dbraw/zinc/12/40/00/560124000.db2.gz LFRFCCUZVGCLBM-FQEVSTJZSA-N 1 3 358.530 2.333 20 0 FEADHO COC(=O)c1coc([C@H](C)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000447533803 560164047 /nfs/dbraw/zinc/16/40/47/560164047.db2.gz SPJZBJNBCFTFGU-INIZCTEOSA-N 1 3 372.469 2.324 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)C[C@@H](C)O1 ZINC000450476134 560263552 /nfs/dbraw/zinc/26/35/52/560263552.db2.gz NEUSFPUITNPHDQ-LMMKCTJWSA-N 1 3 351.535 2.114 20 0 FEADHO CCCCN(C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453648492 560393377 /nfs/dbraw/zinc/39/33/77/560393377.db2.gz TWROYWXSWUCBMW-SFHVURJKSA-N 1 3 360.502 2.022 20 0 FEADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)[NH+](C)C)c1cccc(OC)c1 ZINC000454226034 560435336 /nfs/dbraw/zinc/43/53/36/560435336.db2.gz RTUJKIZXXJITDP-MAUKXSAKSA-N 1 3 350.507 2.327 20 0 FEADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3CCCN3CCCO)ccc21 ZINC000455835257 560496958 /nfs/dbraw/zinc/49/69/58/560496958.db2.gz ABAWGFHXVQWMGW-HKUYNNGSSA-N 1 3 360.502 2.204 20 0 FEADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455854692 560497654 /nfs/dbraw/zinc/49/76/54/560497654.db2.gz NLDGVEMUHFNYKW-JXFKEZNVSA-N 1 3 373.545 2.383 20 0 FEADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H]3CCCN(CCCO)C3)ccc21 ZINC000455872810 560498585 /nfs/dbraw/zinc/49/85/85/560498585.db2.gz ZFVCDHQJISXZKA-MJGOQNOKSA-N 1 3 360.502 2.204 20 0 FEADHO C[C@@H]([NH2+]C1(CNC(=O)NC[C@H](C)N(C)C)CCOCC1)c1ccccc1 ZINC000458374294 560618306 /nfs/dbraw/zinc/61/83/06/560618306.db2.gz OGBOSZRBUXPKEJ-DLBZAZTESA-N 1 3 362.518 2.136 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC[NH+]3CCC(C)CC3)CC2)c1 ZINC000461872141 560785767 /nfs/dbraw/zinc/78/57/67/560785767.db2.gz QETPKDUWJQKQGS-UHFFFAOYSA-N 1 3 372.557 2.355 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCc1nccs1 ZINC000462231086 560802655 /nfs/dbraw/zinc/80/26/55/560802655.db2.gz WHYAURUVPBYSQP-INIZCTEOSA-N 1 3 367.563 2.133 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCc1nccs1 ZINC000462231086 560802656 /nfs/dbraw/zinc/80/26/56/560802656.db2.gz WHYAURUVPBYSQP-INIZCTEOSA-N 1 3 367.563 2.133 20 0 FEADHO O=C(CN1CCC[C@H]2COCC[C@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000464860658 560854058 /nfs/dbraw/zinc/85/40/58/560854058.db2.gz ZSYKDYRCLNUMJD-LEWJYISDSA-N 1 3 371.525 2.400 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000465553402 560868291 /nfs/dbraw/zinc/86/82/91/560868291.db2.gz WHZMGVWQMANNKV-IBGZPJMESA-N 1 3 368.566 2.393 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000465553402 560868292 /nfs/dbraw/zinc/86/82/92/560868292.db2.gz WHZMGVWQMANNKV-IBGZPJMESA-N 1 3 368.566 2.393 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000465911016 560875808 /nfs/dbraw/zinc/87/58/08/560875808.db2.gz PTNKZVSPDJPXBU-QGZVFWFLSA-N 1 3 368.566 2.392 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000465911016 560875809 /nfs/dbraw/zinc/87/58/09/560875809.db2.gz PTNKZVSPDJPXBU-QGZVFWFLSA-N 1 3 368.566 2.392 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CC(C)(C)OC ZINC000466093382 560880074 /nfs/dbraw/zinc/88/00/74/560880074.db2.gz NEISGHWQEYPHGM-SJORKVTESA-N 1 3 356.555 2.248 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CC(C)(C)OC ZINC000466093382 560880075 /nfs/dbraw/zinc/88/00/75/560880075.db2.gz NEISGHWQEYPHGM-SJORKVTESA-N 1 3 356.555 2.248 20 0 FEADHO CC[C@]1(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)CCC[NH2+]1 ZINC000467692721 560915115 /nfs/dbraw/zinc/91/51/15/560915115.db2.gz UQVQVYPWUVXODB-WIYYLYMNSA-N 1 3 372.513 2.324 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(OC)cc1F ZINC000467844898 560918651 /nfs/dbraw/zinc/91/86/51/560918651.db2.gz WOXSAOZDVVTSHK-KRWDZBQOSA-N 1 3 365.493 2.251 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(OC)cc1F ZINC000467844898 560918652 /nfs/dbraw/zinc/91/86/52/560918652.db2.gz WOXSAOZDVVTSHK-KRWDZBQOSA-N 1 3 365.493 2.251 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCN3c3ccccc3)CC2)CC1 ZINC000468865859 560940919 /nfs/dbraw/zinc/94/09/19/560940919.db2.gz GTVWJFCGZSJFCB-OAQYLSRUSA-N 1 3 370.541 2.330 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[N@@H+](C(C)C)CC3)cc2)CC1 ZINC000469183300 560949347 /nfs/dbraw/zinc/94/93/47/560949347.db2.gz FNSZVBVIGNJNAV-UHFFFAOYSA-N 1 3 358.530 2.385 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[N@H+](C(C)C)CC3)cc2)CC1 ZINC000469183300 560949348 /nfs/dbraw/zinc/94/93/48/560949348.db2.gz FNSZVBVIGNJNAV-UHFFFAOYSA-N 1 3 358.530 2.385 20 0 FEADHO COc1ccccc1/C=C\CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000469858293 560966949 /nfs/dbraw/zinc/96/69/49/560966949.db2.gz DBRUHGCBHRFASM-JPBKIQTRSA-N 1 3 357.498 2.289 20 0 FEADHO CC[NH2+]CC1CCN(Cc2c(C)nn(CC(=O)OC(C)C)c2C)CC1 ZINC000470003499 560971575 /nfs/dbraw/zinc/97/15/75/560971575.db2.gz QWEWDBPKOQERKZ-UHFFFAOYSA-N 1 3 350.507 2.273 20 0 FEADHO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CCCN1CCCCC1 ZINC000470803568 560989895 /nfs/dbraw/zinc/98/98/95/560989895.db2.gz QSDVHNDWXKHJJX-HKUYNNGSSA-N 1 3 351.514 2.140 20 0 FEADHO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CCCN1CCCCC1 ZINC000470803568 560989896 /nfs/dbraw/zinc/98/98/96/560989896.db2.gz QSDVHNDWXKHJJX-HKUYNNGSSA-N 1 3 351.514 2.140 20 0 FEADHO C[C@H](O)CCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000475044955 561088580 /nfs/dbraw/zinc/08/85/80/561088580.db2.gz HVFLNKTYXJCLHO-SFHVURJKSA-N 1 3 361.530 2.108 20 0 FEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529306125 562368207 /nfs/dbraw/zinc/36/82/07/562368207.db2.gz ARFYDQUAVHZCAY-RTBURBONSA-N 1 3 366.550 2.051 20 0 FEADHO Cc1nn(-c2ccncc2)cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248352 562404120 /nfs/dbraw/zinc/40/41/20/562404120.db2.gz JTECOMHCDZDXGD-HXUWFJFHSA-N 1 3 355.486 2.166 20 0 FEADHO Cc1cc(NC(=O)NCCC2CC[NH+](C)CC2)n(C2CCN(C)CC2)n1 ZINC000531427909 562445547 /nfs/dbraw/zinc/44/55/47/562445547.db2.gz WICGMWUQAJTAEP-UHFFFAOYSA-N 1 3 362.522 2.312 20 0 FEADHO COCC(=O)N1CCC([NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000531973651 562462993 /nfs/dbraw/zinc/46/29/93/562462993.db2.gz OHUMIAIRZLOQEQ-QFBILLFUSA-N 1 3 351.535 2.257 20 0 FEADHO COCC(=O)N1CCC(NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000531973651 562462994 /nfs/dbraw/zinc/46/29/94/562462994.db2.gz OHUMIAIRZLOQEQ-QFBILLFUSA-N 1 3 351.535 2.257 20 0 FEADHO CN(c1ccccc1C[NH2+]C1CCC(C(N)=O)CC1)C1CCN(C)CC1 ZINC000532105235 562467121 /nfs/dbraw/zinc/46/71/21/562467121.db2.gz SJBGGPBRXJKNNA-UHFFFAOYSA-N 1 3 358.530 2.351 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000532687500 562485704 /nfs/dbraw/zinc/48/57/04/562485704.db2.gz ZZAHJVIOVQPLHV-UHFFFAOYSA-N 1 3 361.408 2.080 20 0 FEADHO CN(C)[C@@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000534522062 562536043 /nfs/dbraw/zinc/53/60/43/562536043.db2.gz QGXKSHDXMILKMO-HXUWFJFHSA-N 1 3 358.530 2.333 20 0 FEADHO CCCN(C)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000535095937 562550967 /nfs/dbraw/zinc/55/09/67/562550967.db2.gz LXLSBKPZNFKYEX-MOPGFXCFSA-N 1 3 352.567 2.124 20 0 FEADHO CCCN(C)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000535095937 562550968 /nfs/dbraw/zinc/55/09/68/562550968.db2.gz LXLSBKPZNFKYEX-MOPGFXCFSA-N 1 3 352.567 2.124 20 0 FEADHO CC[C@@](CNC1CC[NH+](CC(C)(C)O)CC1)(C(=O)OC)c1ccccc1 ZINC000602698106 568016727 /nfs/dbraw/zinc/01/67/27/568016727.db2.gz XUPLWJSDSODDMD-NRFANRHFSA-N 1 3 362.514 2.332 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)CNc3cccc(Cl)c3)CC2)CC1 ZINC000603863004 568172011 /nfs/dbraw/zinc/17/20/11/568172011.db2.gz TVCDIUOEBZGJFV-UHFFFAOYSA-N 1 3 364.921 2.427 20 0 FEADHO CN(C(=O)CCCN1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000604856368 568378560 /nfs/dbraw/zinc/37/85/60/568378560.db2.gz MMDAGMPAWPKKMN-UHFFFAOYSA-N 1 3 358.530 2.141 20 0 FEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637158225 568476776 /nfs/dbraw/zinc/47/67/76/568476776.db2.gz BONVXNIBIMUDNA-OAHLLOKOSA-N 1 3 350.511 2.392 20 0 FEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637158225 568476777 /nfs/dbraw/zinc/47/67/77/568476777.db2.gz BONVXNIBIMUDNA-OAHLLOKOSA-N 1 3 350.511 2.392 20 0 FEADHO C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736769909 598287272 /nfs/dbraw/zinc/28/72/72/598287272.db2.gz WRYNFGIEIVFMLM-UHFFFAOYSA-N 1 3 366.469 2.139 20 0 FEADHO C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736769909 598287274 /nfs/dbraw/zinc/28/72/74/598287274.db2.gz WRYNFGIEIVFMLM-UHFFFAOYSA-N 1 3 366.469 2.139 20 0 FEADHO COc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000821813453 599407880 /nfs/dbraw/zinc/40/78/80/599407880.db2.gz HOVODIRUOGQTHM-HNNXBMFYSA-N 1 3 358.490 2.477 20 0 FEADHO COc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000821813453 599407882 /nfs/dbraw/zinc/40/78/82/599407882.db2.gz HOVODIRUOGQTHM-HNNXBMFYSA-N 1 3 358.490 2.477 20 0 FEADHO COc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000821813453 599407884 /nfs/dbraw/zinc/40/78/84/599407884.db2.gz HOVODIRUOGQTHM-HNNXBMFYSA-N 1 3 358.490 2.477 20 0 FEADHO COc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000821813453 599407886 /nfs/dbraw/zinc/40/78/86/599407886.db2.gz HOVODIRUOGQTHM-HNNXBMFYSA-N 1 3 358.490 2.477 20 0 FEADHO CC(C)[NH+]1CCN(C2CCN(Cc3ncc(CN(C)C)s3)CC2)CC1 ZINC000809593771 674500168 /nfs/dbraw/zinc/50/01/68/674500168.db2.gz QTEKPGQWFUAMHJ-UHFFFAOYSA-N 1 3 365.591 2.195 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810366922 674542012 /nfs/dbraw/zinc/54/20/12/674542012.db2.gz SRSJXDCROOMGME-LJQANCHMSA-N 1 3 357.514 2.205 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810366922 674542016 /nfs/dbraw/zinc/54/20/16/674542016.db2.gz SRSJXDCROOMGME-LJQANCHMSA-N 1 3 357.514 2.205 20 0 FEADHO C[NH+](C)CCOc1cc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)ccn1 ZINC000810794797 674562236 /nfs/dbraw/zinc/56/22/36/674562236.db2.gz CHRVJWDHZDYRJZ-GOSISDBHSA-N 1 3 352.454 2.173 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(Cc4cnc(C)s4)C[C@H]3C2)CC[N@@H+]1C ZINC001048827752 675015921 /nfs/dbraw/zinc/01/59/21/675015921.db2.gz FBWUEUAZOJVUAX-CIRFHOKZSA-N 1 3 362.543 2.072 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CN(Cc4cnc(C)s4)C[C@H]3C2)CC[N@H+]1C ZINC001048827752 675015922 /nfs/dbraw/zinc/01/59/22/675015922.db2.gz FBWUEUAZOJVUAX-CIRFHOKZSA-N 1 3 362.543 2.072 20 0 FEADHO C[NH+](C)Cc1ccc(CNCCS(=O)(=O)c2ccccc2)cc1F ZINC000564852321 675068498 /nfs/dbraw/zinc/06/84/98/675068498.db2.gz YLCLVZLZSXGWDJ-UHFFFAOYSA-N 1 3 350.459 2.451 20 0 FEADHO COc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc2c1OCO2 ZINC000067453097 670458100 /nfs/dbraw/zinc/45/81/00/670458100.db2.gz DEKNGJSHFULLHH-GASCZTMLSA-N 1 3 350.459 2.403 20 0 FEADHO COCCC[NH+]1CCC(NC[C@@H](O)COc2ccc(C)cc2C)CC1 ZINC000569110957 670511824 /nfs/dbraw/zinc/51/18/24/670511824.db2.gz KLJHPRZBGRIVFQ-LJQANCHMSA-N 1 3 350.503 2.134 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](O)CC(C)(C)C)CC2)CC1 ZINC000570695245 670755431 /nfs/dbraw/zinc/75/54/31/670755431.db2.gz XDBLYHQMNCSVAI-GOSISDBHSA-N 1 3 353.551 2.096 20 0 FEADHO C[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C1(S(C)(=O)=O)CC1 ZINC000565884014 675158100 /nfs/dbraw/zinc/15/81/00/675158100.db2.gz WMBAHRMYVMMNAB-LSDHHAIUSA-N 1 3 354.516 2.243 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000572721894 671036956 /nfs/dbraw/zinc/03/69/56/671036956.db2.gz JAJWVIVWVDCGFW-LLVKDONJSA-N 1 3 374.710 2.389 20 0 FEADHO CC[C@@H](C)[C@@H](CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)OC ZINC000574171662 671211377 /nfs/dbraw/zinc/21/13/77/671211377.db2.gz OSJXYNUCLSRAMW-VQIMIIECSA-N 1 3 353.551 2.360 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](Oc3ccccc3Cl)C2)C1 ZINC000574739301 671273555 /nfs/dbraw/zinc/27/35/55/671273555.db2.gz GREINAGTCVWAAU-HOTGVXAUSA-N 1 3 365.905 2.381 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](Oc3ccccc3Cl)C2)C1 ZINC000574739301 671273556 /nfs/dbraw/zinc/27/35/56/671273556.db2.gz GREINAGTCVWAAU-HOTGVXAUSA-N 1 3 365.905 2.381 20 0 FEADHO CS(=O)(=O)[C@@H]1CCC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000579225576 671720667 /nfs/dbraw/zinc/72/06/67/671720667.db2.gz SDAKQOAJFJNYIQ-MGTHKWJCSA-N 1 3 364.511 2.188 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)c1ccsc1 ZINC000583880870 672135228 /nfs/dbraw/zinc/13/52/28/672135228.db2.gz LRLXGMKDQOLATB-KRWDZBQOSA-N 1 3 363.531 2.319 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC1CC[NH2+]CC1 ZINC000583921513 672139370 /nfs/dbraw/zinc/13/93/70/672139370.db2.gz HZGQQHOURKZPIQ-UHFFFAOYSA-N 1 3 354.445 2.038 20 0 FEADHO [NH3+]C1(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCC1 ZINC000583935449 672140827 /nfs/dbraw/zinc/14/08/27/672140827.db2.gz OYPWBODBLLQLEU-QGZVFWFLSA-N 1 3 355.404 2.439 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=S)NCC(C)(C)C[NH+](C)C)o1 ZINC000727079221 673154153 /nfs/dbraw/zinc/15/41/53/673154153.db2.gz QTZFVLNKUJYAIQ-UHFFFAOYSA-N 1 3 354.564 2.414 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418578404 673191896 /nfs/dbraw/zinc/19/18/96/673191896.db2.gz IZQCFAIXQGAZIA-CABCVRRESA-N 1 3 354.445 2.308 20 0 FEADHO C[C@@H]1CN(Cc2cc(-n3ccnc3)cs2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000542465886 673584236 /nfs/dbraw/zinc/58/42/36/673584236.db2.gz NBLTYEXRBDGJJJ-VQIMIIECSA-N 1 3 359.543 2.392 20 0 FEADHO COCC(=O)N1CCC([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000542842027 673609777 /nfs/dbraw/zinc/60/97/77/673609777.db2.gz XPSORFXMMKRCFN-VQIMIIECSA-N 1 3 351.535 2.257 20 0 FEADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H](N)CC(F)F)cc2F)CC1 ZINC000828608318 675833446 /nfs/dbraw/zinc/83/34/46/675833446.db2.gz DOYHSCADUDLSPQ-AWEZNQCLSA-N 1 3 358.408 2.277 20 0 FEADHO C[C@H](NC(=O)NCC1(N2CCSCC2)CCCC1)C1CC[NH+](C)CC1 ZINC000606643469 675837491 /nfs/dbraw/zinc/83/74/91/675837491.db2.gz NIIMGSJCRDSDTD-INIZCTEOSA-N 1 3 368.591 2.378 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000617505410 676288925 /nfs/dbraw/zinc/28/89/25/676288925.db2.gz BNQMAHYLJFLMPS-JLJPHGGASA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000617505410 676288927 /nfs/dbraw/zinc/28/89/27/676288927.db2.gz BNQMAHYLJFLMPS-JLJPHGGASA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1csc(C(F)(F)F)n1 ZINC000617506905 676289449 /nfs/dbraw/zinc/28/94/49/676289449.db2.gz BXKIGUHNMWEGIL-JTQLQIEISA-N 1 3 352.426 2.164 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1csc(C(F)(F)F)n1 ZINC000617506905 676289451 /nfs/dbraw/zinc/28/94/51/676289451.db2.gz BXKIGUHNMWEGIL-JTQLQIEISA-N 1 3 352.426 2.164 20 0 FEADHO CN1CC[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)CC1(C)C ZINC000623495722 676537747 /nfs/dbraw/zinc/53/77/47/676537747.db2.gz PNQZEBAZMWXKAX-OAHLLOKOSA-N 1 3 369.506 2.328 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CO)CCC(C)C)CC2)CC1 ZINC000628710501 676815073 /nfs/dbraw/zinc/81/50/73/676815073.db2.gz DUJDLDGHGMPMOO-GOSISDBHSA-N 1 3 353.551 2.096 20 0 FEADHO O[C@H](C[NH2+]CCc1cnc(SC2CCCC2)nc1)CN1CCCC1 ZINC000629580536 676860673 /nfs/dbraw/zinc/86/06/73/676860673.db2.gz UHONLZNTQDTLEC-MRXNPFEDSA-N 1 3 350.532 2.100 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC(O)(CC)CC)CC2)CC1 ZINC000629635390 676863529 /nfs/dbraw/zinc/86/35/29/676863529.db2.gz NBCHWRXPCHRECI-UHFFFAOYSA-N 1 3 353.551 2.192 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000629650375 676864074 /nfs/dbraw/zinc/86/40/74/676864074.db2.gz SSBQWUDRQSNRJB-GOEBONIOSA-N 1 3 351.441 2.342 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000629650375 676864076 /nfs/dbraw/zinc/86/40/76/676864076.db2.gz SSBQWUDRQSNRJB-GOEBONIOSA-N 1 3 351.441 2.342 20 0 FEADHO CN(C)CCCS(=O)(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000631889974 676962141 /nfs/dbraw/zinc/96/21/41/676962141.db2.gz LIJKLOOEHMSMFC-UHFFFAOYSA-N 1 3 367.559 2.112 20 0 FEADHO CN(C)CCCS(=O)(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000631889974 676962142 /nfs/dbraw/zinc/96/21/42/676962142.db2.gz LIJKLOOEHMSMFC-UHFFFAOYSA-N 1 3 367.559 2.112 20 0 FEADHO [NH3+][C@H](CC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)C1CC1 ZINC000830026511 677022370 /nfs/dbraw/zinc/02/23/70/677022370.db2.gz LOKIJQHNCKERRW-GOSISDBHSA-N 1 3 365.905 2.427 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(CCF)CC3)CC2)CC1 ZINC000632978769 677024079 /nfs/dbraw/zinc/02/40/79/677024079.db2.gz JDDHJQYIDDQJQJ-UHFFFAOYSA-N 1 3 354.514 2.326 20 0 FEADHO Cc1ncc([C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000632979000 677024155 /nfs/dbraw/zinc/02/41/55/677024155.db2.gz MNLRKXBOTFVEMC-ZDUSSCGKSA-N 1 3 365.547 2.370 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc(Cl)n1 ZINC000830239957 677031661 /nfs/dbraw/zinc/03/16/61/677031661.db2.gz CQTRRNLSDAVHSA-HOCLYGCPSA-N 1 3 350.894 2.378 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(OC(C)(C)C)C3)CC2)CC1 ZINC000830523538 677044737 /nfs/dbraw/zinc/04/47/37/677044737.db2.gz QMNRCNIYJBEHNI-UHFFFAOYSA-N 1 3 351.535 2.209 20 0 FEADHO CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635896357 677109546 /nfs/dbraw/zinc/10/95/46/677109546.db2.gz SUUUGQBSKNSURO-FUHWJXTLSA-N 1 3 353.551 2.048 20 0 FEADHO CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635896357 677109547 /nfs/dbraw/zinc/10/95/47/677109547.db2.gz SUUUGQBSKNSURO-FUHWJXTLSA-N 1 3 353.551 2.048 20 0 FEADHO COC[C@]1(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCCCN1 ZINC000638086910 677139638 /nfs/dbraw/zinc/13/96/38/677139638.db2.gz XEUQJCIKPIDFSX-ICSRJNTNSA-N 1 3 351.535 2.116 20 0 FEADHO CC1CCC(N2CCN(C(=S)NCC3CC[NH+](C)CC3)CC2)CC1 ZINC000760491470 680689850 /nfs/dbraw/zinc/68/98/50/680689850.db2.gz CHSUCEVFMGQFLC-UHFFFAOYSA-N 1 3 352.592 2.399 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3CCC(F)CC3)CC2)CC1 ZINC000645204962 677255561 /nfs/dbraw/zinc/25/55/61/677255561.db2.gz DECMSYIJIAOPHE-UHFFFAOYSA-N 1 3 354.514 2.373 20 0 FEADHO CC1(C)C[NH2+][C@@H]1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000646034739 677277494 /nfs/dbraw/zinc/27/74/94/677277494.db2.gz FTGQJLFZZZSKLQ-QGZVFWFLSA-N 1 3 365.905 2.297 20 0 FEADHO OC[C@@H](c1ccc(Cl)cc1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000649413571 677330696 /nfs/dbraw/zinc/33/06/96/677330696.db2.gz KNJPKMKHWPZUTJ-IBGZPJMESA-N 1 3 351.922 2.381 20 0 FEADHO CC[N@H+](CCCNC(=O)N[C@@H]1CCN(CCOC)C1)C1CCCCC1 ZINC000650895950 677394938 /nfs/dbraw/zinc/39/49/38/677394938.db2.gz LLQACNBILNJOPO-QGZVFWFLSA-N 1 3 354.539 2.051 20 0 FEADHO CC[N@@H+](CCCNC(=O)N[C@@H]1CCN(CCOC)C1)C1CCCCC1 ZINC000650895950 677394939 /nfs/dbraw/zinc/39/49/39/677394939.db2.gz LLQACNBILNJOPO-QGZVFWFLSA-N 1 3 354.539 2.051 20 0 FEADHO CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000655924667 677692980 /nfs/dbraw/zinc/69/29/80/677692980.db2.gz NWPCEGBGGZPZPQ-CABCVRRESA-N 1 3 358.408 2.182 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655931920 677693597 /nfs/dbraw/zinc/69/35/97/677693597.db2.gz QMDZDBVDVXYZGD-DZGCQCFKSA-N 1 3 358.408 2.040 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCOC(C)(C)C)CC2)CC1 ZINC000660575820 678359742 /nfs/dbraw/zinc/35/97/42/678359742.db2.gz WSPUYMVXQZZGQL-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(s2)CCNC3)[C@H](C)C1 ZINC000662461850 678624476 /nfs/dbraw/zinc/62/44/76/678624476.db2.gz FGTGOJWOBUXTCD-ZBFHGGJFSA-N 1 3 365.543 2.261 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc3c(s2)CCNC3)[C@H](C)C1 ZINC000662461850 678624482 /nfs/dbraw/zinc/62/44/82/678624482.db2.gz FGTGOJWOBUXTCD-ZBFHGGJFSA-N 1 3 365.543 2.261 20 0 FEADHO O=S(=O)(CC[NH2+]CC1CCN(CC2CC2)CC1)c1ccc(F)cc1 ZINC000663374010 678728501 /nfs/dbraw/zinc/72/85/01/678728501.db2.gz BDAYAEHELAMGJC-UHFFFAOYSA-N 1 3 354.491 2.311 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(c2ccco2)CC1 ZINC000665764264 678982861 /nfs/dbraw/zinc/98/28/61/678982861.db2.gz ZSDQRDHEGJPDCB-INIZCTEOSA-N 1 3 350.507 2.441 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(c2ccco2)CC1 ZINC000665764264 678982864 /nfs/dbraw/zinc/98/28/64/678982864.db2.gz ZSDQRDHEGJPDCB-INIZCTEOSA-N 1 3 350.507 2.441 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC2(CCCC2)OC[C@H]1C ZINC000665764092 678982925 /nfs/dbraw/zinc/98/29/25/678982925.db2.gz UHSNCXKKLSOINL-DLBZAZTESA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC2(CCCC2)OC[C@H]1C ZINC000665764092 678982927 /nfs/dbraw/zinc/98/29/27/678982927.db2.gz UHSNCXKKLSOINL-DLBZAZTESA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(F)cc(N(C)C)c1 ZINC000667289349 679087431 /nfs/dbraw/zinc/08/74/31/679087431.db2.gz NHEHSTOIHJSEFO-AWEZNQCLSA-N 1 3 353.486 2.285 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(F)cc(N(C)C)c1 ZINC000667289349 679087434 /nfs/dbraw/zinc/08/74/34/679087434.db2.gz NHEHSTOIHJSEFO-AWEZNQCLSA-N 1 3 353.486 2.285 20 0 FEADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000669389532 679231794 /nfs/dbraw/zinc/23/17/94/679231794.db2.gz MYRGYRBKNVJEKL-JKSUJKDBSA-N 1 3 354.564 2.165 20 0 FEADHO C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)C1(S(C)(=O)=O)CC1 ZINC000671726443 679344229 /nfs/dbraw/zinc/34/42/29/679344229.db2.gz XTGLCWILXGFIRA-INIZCTEOSA-N 1 3 366.527 2.217 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)C1 ZINC000841019074 680860144 /nfs/dbraw/zinc/86/01/44/680860144.db2.gz BMQLBMMTNFWEKU-WBVHZDCISA-N 1 3 365.905 2.381 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)C1 ZINC000841019074 680860145 /nfs/dbraw/zinc/86/01/45/680860145.db2.gz BMQLBMMTNFWEKU-WBVHZDCISA-N 1 3 365.905 2.381 20 0 FEADHO CCO[C@H]1C[C@@](N)(C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1(C)C ZINC000831089121 679921065 /nfs/dbraw/zinc/92/10/65/679921065.db2.gz SQMYMQAKIVJUKU-QCECMTGHSA-N 1 3 351.535 2.432 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccncc3Cl)C2)CC[N@@H+]1C ZINC001022107100 680196590 /nfs/dbraw/zinc/19/65/90/680196590.db2.gz SDWNESIEWXOMQJ-QSJFSLAZSA-N 1 3 350.894 2.202 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccncc3Cl)C2)CC[N@H+]1C ZINC001022107100 680196593 /nfs/dbraw/zinc/19/65/93/680196593.db2.gz SDWNESIEWXOMQJ-QSJFSLAZSA-N 1 3 350.894 2.202 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC001022105879 680196707 /nfs/dbraw/zinc/19/67/07/680196707.db2.gz BQBIVCCVASEHPT-UIBIWLFHSA-N 1 3 351.441 2.432 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccc(F)cc3F)C2)CC[N@H+]1C ZINC001022105879 680196708 /nfs/dbraw/zinc/19/67/08/680196708.db2.gz BQBIVCCVASEHPT-UIBIWLFHSA-N 1 3 351.441 2.432 20 0 FEADHO C[C@H](NCc1nccs1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001029101598 680386370 /nfs/dbraw/zinc/38/63/70/680386370.db2.gz KCONZGUFYGHVCK-SQWLQELKSA-N 1 3 350.532 2.200 20 0 FEADHO C[C@H](NCc1nccs1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029101598 680386371 /nfs/dbraw/zinc/38/63/71/680386371.db2.gz KCONZGUFYGHVCK-SQWLQELKSA-N 1 3 350.532 2.200 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3ccc(Cl)nc3)C2)CC[N@@H+]1C ZINC000999190298 680398307 /nfs/dbraw/zinc/39/83/07/680398307.db2.gz PZTXMDDTUJDKAC-VNQPRFMTSA-N 1 3 350.894 2.156 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3ccc(Cl)nc3)C2)CC[N@H+]1C ZINC000999190298 680398312 /nfs/dbraw/zinc/39/83/12/680398312.db2.gz PZTXMDDTUJDKAC-VNQPRFMTSA-N 1 3 350.894 2.156 20 0 FEADHO Cc1ncc(CN2CC[C@@]3(CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)C2)s1 ZINC001041298039 680503482 /nfs/dbraw/zinc/50/34/82/680503482.db2.gz UODQBQJWPLBJKL-LSBZLQRGSA-N 1 3 362.543 2.216 20 0 FEADHO Cc1ncc(CN2CC[C@@]3(CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)s1 ZINC001041298039 680503483 /nfs/dbraw/zinc/50/34/83/680503483.db2.gz UODQBQJWPLBJKL-LSBZLQRGSA-N 1 3 362.543 2.216 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2C[C@H](CC[NH3+])c3ccccc32)cc1 ZINC000842796570 680967470 /nfs/dbraw/zinc/96/74/70/680967470.db2.gz IDKMRKQTYHLOBC-INIZCTEOSA-N 1 3 359.495 2.390 20 0 FEADHO CC1CCN([C@@H](CNC(=O)CO[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000844165793 681042766 /nfs/dbraw/zinc/04/27/66/681042766.db2.gz POGZIULNWJABSI-IRXDYDNUSA-N 1 3 365.543 2.406 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNCc3sccc3Cl)C2)CC[N@@H+]1C ZINC001051623347 681068245 /nfs/dbraw/zinc/06/82/45/681068245.db2.gz FWRDGHDTFAHLRM-MGPQQGTHSA-N 1 3 371.934 2.059 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNCc3sccc3Cl)C2)CC[N@H+]1C ZINC001051623347 681068248 /nfs/dbraw/zinc/06/82/48/681068248.db2.gz FWRDGHDTFAHLRM-MGPQQGTHSA-N 1 3 371.934 2.059 20 0 FEADHO CN(C[C@@H]1CCC[N@H+](C)C1)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846805634 681292191 /nfs/dbraw/zinc/29/21/91/681292191.db2.gz DYZDSVRXNUTXCJ-APWZRJJASA-N 1 3 355.523 2.022 20 0 FEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846805634 681292194 /nfs/dbraw/zinc/29/21/94/681292194.db2.gz DYZDSVRXNUTXCJ-APWZRJJASA-N 1 3 355.523 2.022 20 0 FEADHO [NH3+][C@@H]1CCC[C@H](NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000848719779 681608992 /nfs/dbraw/zinc/60/89/92/681608992.db2.gz NXJKDDBLPSGSDH-NEPJUHHUSA-N 1 3 366.405 2.218 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC(F)F)c(OC)c1 ZINC000849057667 681648637 /nfs/dbraw/zinc/64/86/37/681648637.db2.gz TVCCDAAPLXZUFB-CYBMUJFWSA-N 1 3 356.417 2.395 20 0 FEADHO COc1ccc(OC)c(NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000849274852 681675248 /nfs/dbraw/zinc/67/52/48/681675248.db2.gz APRIKOKEJUOKIJ-AWEZNQCLSA-N 1 3 368.547 2.262 20 0 FEADHO COc1ccc(OC)c(NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000849274852 681675251 /nfs/dbraw/zinc/67/52/51/681675251.db2.gz APRIKOKEJUOKIJ-AWEZNQCLSA-N 1 3 368.547 2.262 20 0 FEADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(CC)(N3CCOCC3)CC2)C1 ZINC000913330649 685475555 /nfs/dbraw/zinc/47/55/55/685475555.db2.gz HIHISHBGAAWGGI-SFHVURJKSA-N 1 3 351.535 2.212 20 0 FEADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC(CC)(N3CCOCC3)CC2)C1 ZINC000913330649 685475556 /nfs/dbraw/zinc/47/55/56/685475556.db2.gz HIHISHBGAAWGGI-SFHVURJKSA-N 1 3 351.535 2.212 20 0 FEADHO Cc1nc(CNCC2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC000961849963 682102729 /nfs/dbraw/zinc/10/27/29/682102729.db2.gz QZSBXWVZBKZJRI-JGVXXWTJSA-N 1 3 350.532 2.085 20 0 FEADHO Cc1nc(CNCC2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC000961849963 682102736 /nfs/dbraw/zinc/10/27/36/682102736.db2.gz QZSBXWVZBKZJRI-JGVXXWTJSA-N 1 3 350.532 2.085 20 0 FEADHO Cc1csc(CNC2CC3(C2)CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)n1 ZINC000963830135 682147969 /nfs/dbraw/zinc/14/79/69/682147969.db2.gz KAAYAMVELUGCRW-ITFIPKOWSA-N 1 3 362.543 2.309 20 0 FEADHO Cc1csc(CNC2CC3(C2)CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)n1 ZINC000963830135 682147973 /nfs/dbraw/zinc/14/79/73/682147973.db2.gz KAAYAMVELUGCRW-ITFIPKOWSA-N 1 3 362.543 2.309 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCCN2CCc2ccns2)CC[N@@H+]1C ZINC000968863308 682246965 /nfs/dbraw/zinc/24/69/65/682246965.db2.gz DMTUDKCFYHXNIV-SOLBZPMBSA-N 1 3 364.559 2.387 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCCN2CCc2ccns2)CC[N@H+]1C ZINC000968863308 682246970 /nfs/dbraw/zinc/24/69/70/682246970.db2.gz DMTUDKCFYHXNIV-SOLBZPMBSA-N 1 3 364.559 2.387 20 0 FEADHO C[C@H](CN1CCC(OCC[NH+]2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC000785463840 682299502 /nfs/dbraw/zinc/29/95/02/682299502.db2.gz VPSFCUCRBAXPBY-MRXNPFEDSA-N 1 3 355.523 2.476 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccc(Br)o1 ZINC000855346105 682659931 /nfs/dbraw/zinc/65/99/31/682659931.db2.gz ONTOQYJUUZGRQM-JWJUJFCLSA-N 1 3 372.307 2.444 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccc(Br)o1 ZINC000855346105 682659934 /nfs/dbraw/zinc/65/99/34/682659934.db2.gz ONTOQYJUUZGRQM-JWJUJFCLSA-N 1 3 372.307 2.444 20 0 FEADHO C[NH+]1CCC(CN[C@H]2CCc3ccc(Cl)nc32)(N2CCOCC2)CC1 ZINC000857917001 682924733 /nfs/dbraw/zinc/92/47/33/682924733.db2.gz VULAATYQXXPVLX-INIZCTEOSA-N 1 3 364.921 2.109 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000860096019 683201153 /nfs/dbraw/zinc/20/11/53/683201153.db2.gz JLSVBVRGWGVCOI-KRWDZBQOSA-N 1 3 356.555 2.248 20 0 FEADHO CC(C)N1CCN(CCC[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000860096019 683201156 /nfs/dbraw/zinc/20/11/56/683201156.db2.gz JLSVBVRGWGVCOI-KRWDZBQOSA-N 1 3 356.555 2.248 20 0 FEADHO COCCN(CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC000796858349 683201540 /nfs/dbraw/zinc/20/15/40/683201540.db2.gz YKYVBRHYMFCLDG-BRWVUGGUSA-N 1 3 355.523 2.332 20 0 FEADHO COCCN(CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC000796858349 683201543 /nfs/dbraw/zinc/20/15/43/683201543.db2.gz YKYVBRHYMFCLDG-BRWVUGGUSA-N 1 3 355.523 2.332 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000799310939 683442643 /nfs/dbraw/zinc/44/26/43/683442643.db2.gz KNXBGGTUHQOIJD-LJQANCHMSA-N 1 3 353.482 2.325 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000799310939 683442648 /nfs/dbraw/zinc/44/26/48/683442648.db2.gz KNXBGGTUHQOIJD-LJQANCHMSA-N 1 3 353.482 2.325 20 0 FEADHO Cc1nc(CNC2CCN(CC[NH+](C)C)CC2)sc1Br ZINC000921523204 683492394 /nfs/dbraw/zinc/49/23/94/683492394.db2.gz UUDCAAQJZLHQDS-UHFFFAOYSA-N 1 3 361.353 2.330 20 0 FEADHO Cc1ccc(S(=O)(=O)NCCN(C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000923316962 684261745 /nfs/dbraw/zinc/26/17/45/684261745.db2.gz PSDGQZKCVLINON-AYHJJNSGSA-N 1 3 365.543 2.126 20 0 FEADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)C1 ZINC000925337452 684550973 /nfs/dbraw/zinc/55/09/73/684550973.db2.gz JAQNNCQYCQWGDA-HRCADAONSA-N 1 3 365.547 2.007 20 0 FEADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)C1 ZINC000925337452 684550974 /nfs/dbraw/zinc/55/09/74/684550974.db2.gz JAQNNCQYCQWGDA-HRCADAONSA-N 1 3 365.547 2.007 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2C[C@H]([NH3+])C23CCC3)s1 ZINC000925489240 684565511 /nfs/dbraw/zinc/56/55/11/684565511.db2.gz JLABBAKIZKDGFH-LSDHHAIUSA-N 1 3 371.572 2.181 20 0 FEADHO O[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)COc1ccc(F)c(F)c1 ZINC000925499617 684566376 /nfs/dbraw/zinc/56/63/76/684566376.db2.gz RLEWWFAAJCQBIH-IDHHARJASA-N 1 3 354.441 2.462 20 0 FEADHO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925612539 684573859 /nfs/dbraw/zinc/57/38/59/684573859.db2.gz SJWXRVGUEHASPL-RBUKOAKNSA-N 1 3 371.591 2.195 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](OC)CC[C@@H]3C)CC2)CC1 ZINC000870723584 684748786 /nfs/dbraw/zinc/74/87/86/684748786.db2.gz FTOHXMNIDQEKKG-QFBILLFUSA-N 1 3 351.535 2.209 20 0 FEADHO CC(C)[NH+]1CCC(CCNC(=O)Nc2ccnn2CCN(C)C)CC1 ZINC000879673379 686886039 /nfs/dbraw/zinc/88/60/39/686886039.db2.gz IUPAOKHZKNZPKV-UHFFFAOYSA-N 1 3 350.511 2.077 20 0 FEADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)N(C)C)cc1 ZINC000891446035 689063136 /nfs/dbraw/zinc/06/31/36/689063136.db2.gz LPORMZFBQQUMRI-CVEARBPZSA-N 1 3 354.445 2.142 20 0 FEADHO C[C@@H](N[C@H]1Cc2cc(Br)cnc2NC1=O)C1CC[NH+](C)CC1 ZINC000903325239 690882109 /nfs/dbraw/zinc/88/21/09/690882109.db2.gz KPKFUIYZLNMVCI-YGRLFVJLSA-N 1 3 367.291 2.027 20 0 FEADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C[C@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000903839412 690977871 /nfs/dbraw/zinc/97/78/71/690977871.db2.gz KNPXTMNYGKYUTI-HJPIBITLSA-N 1 3 373.266 2.140 20 0 FEADHO O[C@@]1(CNCCc2nc3c(s2)CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000905568391 691143122 /nfs/dbraw/zinc/14/31/22/691143122.db2.gz JUEFOTHOJZJXOS-HXUWFJFHSA-N 1 3 357.523 2.401 20 0 FEADHO O[C@@]1(CNCCc2nc3c(s2)CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000905568391 691143125 /nfs/dbraw/zinc/14/31/25/691143125.db2.gz JUEFOTHOJZJXOS-HXUWFJFHSA-N 1 3 357.523 2.401 20 0 FEADHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(CN)ncn1)CC2 ZINC001164843788 720679276 /nfs/dbraw/zinc/67/92/76/720679276.db2.gz QXLHROFRLWQCBT-LJQANCHMSA-N 1 3 367.497 2.195 20 0 FEADHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(CN)ncn1)CC2 ZINC001164843788 720679282 /nfs/dbraw/zinc/67/92/82/720679282.db2.gz QXLHROFRLWQCBT-LJQANCHMSA-N 1 3 367.497 2.195 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000054511227 540593772 /nfs/dbraw/zinc/59/37/72/540593772.db2.gz SUULDKOEGDYANE-GOSISDBHSA-N 1 3 362.518 2.158 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000054511227 540593775 /nfs/dbraw/zinc/59/37/75/540593775.db2.gz SUULDKOEGDYANE-GOSISDBHSA-N 1 3 362.518 2.158 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H](C)C[NH+]3CCCC3)CC2)c1 ZINC000072987485 541904816 /nfs/dbraw/zinc/90/48/16/541904816.db2.gz SADISHOXDXMWHK-HXUWFJFHSA-N 1 3 372.557 2.355 20 0 FEADHO CCN1CCC[C@@H]1CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000073618456 541974987 /nfs/dbraw/zinc/97/49/87/541974987.db2.gz HUSDUSBBZREHNC-HXUWFJFHSA-N 1 3 358.530 2.477 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000073988117 542023056 /nfs/dbraw/zinc/02/30/56/542023056.db2.gz VJIJUSDRPLCBGT-FQEVSTJZSA-N 1 3 358.530 2.060 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000073988117 542023058 /nfs/dbraw/zinc/02/30/58/542023058.db2.gz VJIJUSDRPLCBGT-FQEVSTJZSA-N 1 3 358.530 2.060 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000074863249 542130162 /nfs/dbraw/zinc/13/01/62/542130162.db2.gz XUCFDAUZTVJVRN-RBUKOAKNSA-N 1 3 366.550 2.003 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000074863249 542130166 /nfs/dbraw/zinc/13/01/66/542130166.db2.gz XUCFDAUZTVJVRN-RBUKOAKNSA-N 1 3 366.550 2.003 20 0 FEADHO CN(C)Cc1ccc(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000077339494 542369426 /nfs/dbraw/zinc/36/94/26/542369426.db2.gz YVWFTNHGDQDTHF-IBGZPJMESA-N 1 3 374.529 2.048 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000077344181 542370407 /nfs/dbraw/zinc/37/04/07/542370407.db2.gz NIUFIHVVGXDXTH-IBGZPJMESA-N 1 3 374.529 2.048 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000077822193 542424475 /nfs/dbraw/zinc/42/44/75/542424475.db2.gz AKKKWCCQESUKAK-UHFFFAOYSA-N 1 3 355.552 2.075 20 0 FEADHO C[NH+](C)CCNC(=O)C1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000092615710 542874460 /nfs/dbraw/zinc/87/44/60/542874460.db2.gz AOERAYWKKLRVHQ-UHFFFAOYSA-N 1 3 373.476 2.106 20 0 FEADHO C[N@H+](CCNC(=O)NCC1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000093124310 542909728 /nfs/dbraw/zinc/90/97/28/542909728.db2.gz DHIFDXOSXXVJNS-UHFFFAOYSA-N 1 3 359.518 2.472 20 0 FEADHO C[N@@H+](CCNC(=O)NCC1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000093124310 542909731 /nfs/dbraw/zinc/90/97/31/542909731.db2.gz DHIFDXOSXXVJNS-UHFFFAOYSA-N 1 3 359.518 2.472 20 0 FEADHO C[NH+]1CCC(CCNC(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000093135358 542911315 /nfs/dbraw/zinc/91/13/15/542911315.db2.gz QBBSJQRBQKPMSK-UHFFFAOYSA-N 1 3 359.518 2.329 20 0 FEADHO O=C(NCCC[NH+]1CCCCC1)NCC1CCN(c2ccncc2)CC1 ZINC000093349708 542927802 /nfs/dbraw/zinc/92/78/02/542927802.db2.gz XCHKSOCIJAFSBL-UHFFFAOYSA-N 1 3 359.518 2.473 20 0 FEADHO CCN(CCNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000103313653 543103693 /nfs/dbraw/zinc/10/36/93/543103693.db2.gz HKBZCKKVIBLCOO-IBGZPJMESA-N 1 3 358.530 2.335 20 0 FEADHO CCN(CCNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000103313653 543103697 /nfs/dbraw/zinc/10/36/97/543103697.db2.gz HKBZCKKVIBLCOO-IBGZPJMESA-N 1 3 358.530 2.335 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1)C(C)C ZINC000104211118 543126047 /nfs/dbraw/zinc/12/60/47/543126047.db2.gz BWSBNFMFHUMBOM-UHFFFAOYSA-N 1 3 360.546 2.284 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1)C(C)C ZINC000104211118 543126050 /nfs/dbraw/zinc/12/60/50/543126050.db2.gz BWSBNFMFHUMBOM-UHFFFAOYSA-N 1 3 360.546 2.284 20 0 FEADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1nccs1 ZINC000106271022 543221687 /nfs/dbraw/zinc/22/16/87/543221687.db2.gz UGDRYPWOHXNCSK-ZDUSSCGKSA-N 1 3 351.520 2.062 20 0 FEADHO COc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000108537034 543293046 /nfs/dbraw/zinc/29/30/46/543293046.db2.gz RTURMKFYXZVYJH-XLIONFOSSA-N 1 3 374.529 2.473 20 0 FEADHO COc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000108537034 543293050 /nfs/dbraw/zinc/29/30/50/543293050.db2.gz RTURMKFYXZVYJH-XLIONFOSSA-N 1 3 374.529 2.473 20 0 FEADHO CCN1CCN(CCNC(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1 ZINC000112917981 543467716 /nfs/dbraw/zinc/46/77/16/543467716.db2.gz HWGDWPOSNAFEEP-UHFFFAOYSA-N 1 3 358.530 2.038 20 0 FEADHO CCN1CCN(CCNC(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)CC1 ZINC000112917981 543467718 /nfs/dbraw/zinc/46/77/18/543467718.db2.gz HWGDWPOSNAFEEP-UHFFFAOYSA-N 1 3 358.530 2.038 20 0 FEADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000112916955 543468007 /nfs/dbraw/zinc/46/80/07/543468007.db2.gz MGGJLHKKACNVAB-TZIWHRDSSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000112916955 543468010 /nfs/dbraw/zinc/46/80/10/543468010.db2.gz MGGJLHKKACNVAB-TZIWHRDSSA-N 1 3 372.557 2.041 20 0 FEADHO CCN(C)[C@H](C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000112921875 543468710 /nfs/dbraw/zinc/46/87/10/543468710.db2.gz JPIIQKUQGSCVPV-QUCCMNQESA-N 1 3 360.546 2.069 20 0 FEADHO COc1ccc(CNCCC[N@@H+]2CCCN(C)CC2)c(OC(F)F)c1 ZINC000114766178 543535302 /nfs/dbraw/zinc/53/53/02/543535302.db2.gz GFRDTQHVBPSMHK-UHFFFAOYSA-N 1 3 357.445 2.414 20 0 FEADHO COc1ccc(CNCCC[N@H+]2CCCN(C)CC2)c(OC(F)F)c1 ZINC000114766178 543535305 /nfs/dbraw/zinc/53/53/05/543535305.db2.gz GFRDTQHVBPSMHK-UHFFFAOYSA-N 1 3 357.445 2.414 20 0 FEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000114834939 543538552 /nfs/dbraw/zinc/53/85/52/543538552.db2.gz RDNZREZPIXEODE-UXHICEINSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000114834939 543538555 /nfs/dbraw/zinc/53/85/55/543538555.db2.gz RDNZREZPIXEODE-UXHICEINSA-N 1 3 356.514 2.435 20 0 FEADHO CC(C)C(=O)Nc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000119824629 543672516 /nfs/dbraw/zinc/67/25/16/543672516.db2.gz MNJCYMVBVGLEHW-UHFFFAOYSA-N 1 3 363.506 2.238 20 0 FEADHO CCN(CC)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124538676 543828392 /nfs/dbraw/zinc/82/83/92/543828392.db2.gz ADKKZSGPWJQOMJ-OALUTQOASA-N 1 3 352.567 2.124 20 0 FEADHO CCN(CC)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124538676 543828394 /nfs/dbraw/zinc/82/83/94/543828394.db2.gz ADKKZSGPWJQOMJ-OALUTQOASA-N 1 3 352.567 2.124 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000124722129 543838978 /nfs/dbraw/zinc/83/89/78/543838978.db2.gz AJVUCRBMTQWFQJ-HOJAQTOUSA-N 1 3 370.541 2.475 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000124722129 543838981 /nfs/dbraw/zinc/83/89/81/543838981.db2.gz AJVUCRBMTQWFQJ-HOJAQTOUSA-N 1 3 370.541 2.475 20 0 FEADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000125062405 543858531 /nfs/dbraw/zinc/85/85/31/543858531.db2.gz FEVKJOFUIINPRB-LEWJYISDSA-N 1 3 371.573 2.400 20 0 FEADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000125062405 543858535 /nfs/dbraw/zinc/85/85/35/543858535.db2.gz FEVKJOFUIINPRB-LEWJYISDSA-N 1 3 371.573 2.400 20 0 FEADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000125062693 543858657 /nfs/dbraw/zinc/85/86/57/543858657.db2.gz FEVKJOFUIINPRB-SFTDATJTSA-N 1 3 371.573 2.400 20 0 FEADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000125062693 543858660 /nfs/dbraw/zinc/85/86/60/543858660.db2.gz FEVKJOFUIINPRB-SFTDATJTSA-N 1 3 371.573 2.400 20 0 FEADHO CCN1CCCC[C@H]1C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000131105171 544177091 /nfs/dbraw/zinc/17/70/91/544177091.db2.gz PEGUPHFUGAUPBI-IBGZPJMESA-N 1 3 353.551 2.458 20 0 FEADHO CCN1CCCC[C@H]1C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000131105171 544177093 /nfs/dbraw/zinc/17/70/93/544177093.db2.gz PEGUPHFUGAUPBI-IBGZPJMESA-N 1 3 353.551 2.458 20 0 FEADHO C[C@H](Cn1cc(Br)cn1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132964463 544250014 /nfs/dbraw/zinc/25/00/14/544250014.db2.gz FXDUVVJIFSQYNO-KGLIPLIRSA-N 1 3 371.323 2.125 20 0 FEADHO CCN(CC)[C@H](CNC(=O)C[C@H]1CSCC[NH2+]1)c1cccc(OC)c1 ZINC000133400741 544268266 /nfs/dbraw/zinc/26/82/66/544268266.db2.gz URGPUYQARJDGBA-FUHWJXTLSA-N 1 3 365.543 2.289 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000137178112 544385990 /nfs/dbraw/zinc/38/59/90/544385990.db2.gz MXGIBHOZGSSRHS-AABGKKOBSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000137178112 544385991 /nfs/dbraw/zinc/38/59/91/544385991.db2.gz MXGIBHOZGSSRHS-AABGKKOBSA-N 1 3 358.530 2.285 20 0 FEADHO CC1CC[NH+](CCCCNC(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000154607374 544927591 /nfs/dbraw/zinc/92/75/91/544927591.db2.gz VCCAOQLABYJNSB-LJQANCHMSA-N 1 3 351.535 2.258 20 0 FEADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H](CCO)C1CCCCC1)c1ccccc1 ZINC000184628477 327876074 /nfs/dbraw/zinc/87/60/74/327876074.db2.gz QVFMTCZLAMNLIX-PMACEKPBSA-N 1 3 361.530 2.326 20 0 FEADHO CCO[C@H]1C[C@](N)(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1(C)C ZINC000188039937 328062142 /nfs/dbraw/zinc/06/21/42/328062142.db2.gz UFXWVXWJFIFMAY-RXVVDRJESA-N 1 3 359.514 2.431 20 0 FEADHO CC1CC[NH+](Cc2ccc(CNC(=O)c3[nH]nc4c3CNCC4)cc2)CC1 ZINC000188712872 328105794 /nfs/dbraw/zinc/10/57/94/328105794.db2.gz VDJZXRIYZQEENF-UHFFFAOYSA-N 1 3 367.497 2.217 20 0 FEADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2[nH]nc3c2CNCC3)C1 ZINC000188713545 328106293 /nfs/dbraw/zinc/10/62/93/328106293.db2.gz URVZHXLQFIUGNX-OAHLLOKOSA-N 1 3 367.497 2.217 20 0 FEADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2[nH]nc3c2CNCC3)C1 ZINC000188713545 328106294 /nfs/dbraw/zinc/10/62/94/328106294.db2.gz URVZHXLQFIUGNX-OAHLLOKOSA-N 1 3 367.497 2.217 20 0 FEADHO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191466357 328267059 /nfs/dbraw/zinc/26/70/59/328267059.db2.gz ITSOZGNSDLXREQ-UXHICEINSA-N 1 3 366.594 2.419 20 0 FEADHO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191466357 328267060 /nfs/dbraw/zinc/26/70/60/328267060.db2.gz ITSOZGNSDLXREQ-UXHICEINSA-N 1 3 366.594 2.419 20 0 FEADHO C[C@@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H](C)[NH3+] ZINC000192119098 328300730 /nfs/dbraw/zinc/30/07/30/328300730.db2.gz RUJAMEXLEFWNON-KGLIPLIRSA-N 1 3 353.894 2.283 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000192830092 328342420 /nfs/dbraw/zinc/34/24/20/328342420.db2.gz HZGTVMQITMKADX-YQQQUEKLSA-N 1 3 365.543 2.229 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000193677496 328389296 /nfs/dbraw/zinc/38/92/96/328389296.db2.gz DKQKLTZIYCXXSU-UHFFFAOYSA-N 1 3 374.529 2.301 20 0 FEADHO COc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CCSC)N2CCCC2)cc1 ZINC000195127984 328457465 /nfs/dbraw/zinc/45/74/65/328457465.db2.gz BAVMVQJZDZWYIS-IAGOWNOFSA-N 1 3 351.516 2.029 20 0 FEADHO CC1CC[NH+]([C@@H](CNC(=O)CNC[C@@H]2CCCO2)c2ccccc2)CC1 ZINC000236651071 328490823 /nfs/dbraw/zinc/49/08/23/328490823.db2.gz HIXGQMCPXXJKED-PMACEKPBSA-N 1 3 359.514 2.344 20 0 FEADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000236818272 328495189 /nfs/dbraw/zinc/49/51/89/328495189.db2.gz OHFNZGMUSMAGTH-HXUWFJFHSA-N 1 3 360.546 2.421 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000236939713 328498699 /nfs/dbraw/zinc/49/86/99/328498699.db2.gz MOGXONRYTIETTK-UHFFFAOYSA-N 1 3 356.474 2.297 20 0 FEADHO C[NH+](C)[C@@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000078600110 325053245 /nfs/dbraw/zinc/05/32/45/325053245.db2.gz QWDRYACOTWEBLO-HXUWFJFHSA-N 1 3 358.530 2.141 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000091233349 325382199 /nfs/dbraw/zinc/38/21/99/325382199.db2.gz RHTNGMBIHXIMMY-SFHVURJKSA-N 1 3 359.518 2.281 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000091233349 325382201 /nfs/dbraw/zinc/38/22/01/325382201.db2.gz RHTNGMBIHXIMMY-SFHVURJKSA-N 1 3 359.518 2.281 20 0 FEADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091233306 325382208 /nfs/dbraw/zinc/38/22/08/325382208.db2.gz AGNUVFIWPLRAJY-SFHVURJKSA-N 1 3 359.518 2.281 20 0 FEADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091233306 325382210 /nfs/dbraw/zinc/38/22/10/325382210.db2.gz AGNUVFIWPLRAJY-SFHVURJKSA-N 1 3 359.518 2.281 20 0 FEADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC1CCN(C)CC1 ZINC000092500201 325416887 /nfs/dbraw/zinc/41/68/87/325416887.db2.gz KBFQCXAUQMJYOQ-UHFFFAOYSA-N 1 3 359.518 2.424 20 0 FEADHO C[NH+]1CCC(CCNC(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000103307329 325513774 /nfs/dbraw/zinc/51/37/74/325513774.db2.gz CWTCWMJGISTEOG-UHFFFAOYSA-N 1 3 368.591 2.379 20 0 FEADHO C[C@@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[NH+]1CCCCCC1 ZINC000118772907 326102105 /nfs/dbraw/zinc/10/21/05/326102105.db2.gz CMYXHTIKSZKEDI-IBGZPJMESA-N 1 3 372.557 2.315 20 0 FEADHO CCCC[N@H+](C)CC1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000119948080 326214939 /nfs/dbraw/zinc/21/49/39/326214939.db2.gz ZCYVLUJGPOKIMP-UHFFFAOYSA-N 1 3 364.534 2.295 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000119948080 326214940 /nfs/dbraw/zinc/21/49/40/326214940.db2.gz ZCYVLUJGPOKIMP-UHFFFAOYSA-N 1 3 364.534 2.295 20 0 FEADHO CN(C)CCn1ccc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)n1 ZINC000133545680 326610686 /nfs/dbraw/zinc/61/06/86/326610686.db2.gz LHAXPVXHCBQJLG-UHFFFAOYSA-N 1 3 350.511 2.030 20 0 FEADHO CN(C)CCN1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000150962203 326672009 /nfs/dbraw/zinc/67/20/09/326672009.db2.gz HUMCIHLBQUDAJF-UHFFFAOYSA-N 1 3 358.574 2.309 20 0 FEADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000150993479 326672686 /nfs/dbraw/zinc/67/26/86/326672686.db2.gz GNFOJIKDACHACR-KRWDZBQOSA-N 1 3 358.530 2.490 20 0 FEADHO CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000156244810 326823299 /nfs/dbraw/zinc/82/32/99/326823299.db2.gz OVYFWKOUGPPSGJ-UHFFFAOYSA-N 1 3 358.490 2.040 20 0 FEADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000162524807 327027807 /nfs/dbraw/zinc/02/78/07/327027807.db2.gz QNAOIKXEPZRNDR-INIZCTEOSA-N 1 3 366.469 2.454 20 0 FEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000164390583 327069325 /nfs/dbraw/zinc/06/93/25/327069325.db2.gz WUDYKPKMLAFUFI-PMACEKPBSA-N 1 3 360.546 2.436 20 0 FEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000164390583 327069326 /nfs/dbraw/zinc/06/93/26/327069326.db2.gz WUDYKPKMLAFUFI-PMACEKPBSA-N 1 3 360.546 2.436 20 0 FEADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168948817 327087675 /nfs/dbraw/zinc/08/76/75/327087675.db2.gz IXUTVPNDGOQJTK-OAQYLSRUSA-N 1 3 361.530 2.052 20 0 FEADHO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168902926 327087823 /nfs/dbraw/zinc/08/78/23/327087823.db2.gz YOCCIYGYVCXHBR-HXUWFJFHSA-N 1 3 361.530 2.188 20 0 FEADHO CC[N@H+](CCNC(=O)N(C)C1CCN(CCc2ccccn2)CC1)C1CC1 ZINC000171064835 327115340 /nfs/dbraw/zinc/11/53/40/327115340.db2.gz ZXJBDFGZFOBCCL-UHFFFAOYSA-N 1 3 373.545 2.214 20 0 FEADHO CC[N@@H+](CCNC(=O)N(C)C1CCN(CCc2ccccn2)CC1)C1CC1 ZINC000171064835 327115342 /nfs/dbraw/zinc/11/53/42/327115342.db2.gz ZXJBDFGZFOBCCL-UHFFFAOYSA-N 1 3 373.545 2.214 20 0 FEADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1 ZINC000173619794 327271349 /nfs/dbraw/zinc/27/13/49/327271349.db2.gz SPKLUHQXPMBZJT-CYBMUJFWSA-N 1 3 350.438 2.325 20 0 FEADHO CC(C)(CNC(=O)N1CC[C@H](N2CC=CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000173996150 327300384 /nfs/dbraw/zinc/30/03/84/327300384.db2.gz APAXWVQRALMAOR-FQEVSTJZSA-N 1 3 368.525 2.479 20 0 FEADHO CC(C)(CNC(=O)N1CC[C@H](N2CC=CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000173996150 327300385 /nfs/dbraw/zinc/30/03/85/327300385.db2.gz APAXWVQRALMAOR-FQEVSTJZSA-N 1 3 368.525 2.479 20 0 FEADHO CC(C)(CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)N1CCc2ccccc2C1 ZINC000173996150 327300387 /nfs/dbraw/zinc/30/03/87/327300387.db2.gz APAXWVQRALMAOR-FQEVSTJZSA-N 1 3 368.525 2.479 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1nc(COC)cs1 ZINC000174404955 327325146 /nfs/dbraw/zinc/32/51/46/327325146.db2.gz HTHPFWGDVCPLCO-OAHLLOKOSA-N 1 3 369.535 2.169 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1nc(COC)cs1 ZINC000174404955 327325148 /nfs/dbraw/zinc/32/51/48/327325148.db2.gz HTHPFWGDVCPLCO-OAHLLOKOSA-N 1 3 369.535 2.169 20 0 FEADHO CC(C)[NH2+]C1CCN(C(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000176621108 327466440 /nfs/dbraw/zinc/46/64/40/327466440.db2.gz SSYPDBLCYMXSSD-UHFFFAOYSA-N 1 3 354.539 2.048 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261632380 328807242 /nfs/dbraw/zinc/80/72/42/328807242.db2.gz DAUROPBODNWIFN-NNMXDRDESA-N 1 3 371.525 2.300 20 0 FEADHO O=C(CC[C@@H]1CC[NH2+]C1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000261683291 328811264 /nfs/dbraw/zinc/81/12/64/328811264.db2.gz BNIAOAMSVHQCQP-LJQANCHMSA-N 1 3 358.530 2.095 20 0 FEADHO CN(C)[C@@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000264219141 329001338 /nfs/dbraw/zinc/00/13/38/329001338.db2.gz BMQNENXCJQXJAI-IBGZPJMESA-N 1 3 374.529 2.234 20 0 FEADHO C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000264668442 329046605 /nfs/dbraw/zinc/04/66/05/329046605.db2.gz ZUFOYTKSPOBSRT-LJQANCHMSA-N 1 3 374.529 2.397 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000264668442 329046607 /nfs/dbraw/zinc/04/66/07/329046607.db2.gz ZUFOYTKSPOBSRT-LJQANCHMSA-N 1 3 374.529 2.397 20 0 FEADHO CN1CCN(CC2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)CC1 ZINC000265426281 329125776 /nfs/dbraw/zinc/12/57/76/329125776.db2.gz LFDUHXXKHDSHMY-UHFFFAOYSA-N 1 3 353.514 2.332 20 0 FEADHO CCOC(=O)CCCCN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000265790532 329160489 /nfs/dbraw/zinc/16/04/89/329160489.db2.gz MHMWOBCUTZVNKP-UHFFFAOYSA-N 1 3 361.530 2.469 20 0 FEADHO CCOC(=O)CCCCN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000265790532 329160490 /nfs/dbraw/zinc/16/04/90/329160490.db2.gz MHMWOBCUTZVNKP-UHFFFAOYSA-N 1 3 361.530 2.469 20 0 FEADHO COCCOCC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000267458380 329329475 /nfs/dbraw/zinc/32/94/75/329329475.db2.gz QLRQEYNHKBHWCL-HXUWFJFHSA-N 1 3 350.503 2.027 20 0 FEADHO COCCOCC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000267458380 329329476 /nfs/dbraw/zinc/32/94/76/329329476.db2.gz QLRQEYNHKBHWCL-HXUWFJFHSA-N 1 3 350.503 2.027 20 0 FEADHO CN(CCC(=O)Nc1cccc(F)c1)CC[N@H+](C)C1CCN(C)CC1 ZINC000267475682 329331187 /nfs/dbraw/zinc/33/11/87/329331187.db2.gz QDADHTFZAGIYFC-UHFFFAOYSA-N 1 3 350.482 2.112 20 0 FEADHO CN(CCC(=O)Nc1cccc(F)c1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000267475682 329331188 /nfs/dbraw/zinc/33/11/88/329331188.db2.gz QDADHTFZAGIYFC-UHFFFAOYSA-N 1 3 350.482 2.112 20 0 FEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(OCCN(C)C)c(OC)c1 ZINC000274674226 329970109 /nfs/dbraw/zinc/97/01/09/329970109.db2.gz MFZFXBCOXFZLGX-HNNXBMFYSA-N 1 3 365.518 2.419 20 0 FEADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H](c2n[nH]cc2CN2CCCC2)C1 ZINC000367269514 330238971 /nfs/dbraw/zinc/23/89/71/330238971.db2.gz IAJMWPGLBLXOFX-HKUYNNGSSA-N 1 3 371.529 2.053 20 0 FEADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCC[C@H]1O ZINC000426218378 330270299 /nfs/dbraw/zinc/27/02/99/330270299.db2.gz DOMLKPRUQVDBDW-WOJBJXKFSA-N 1 3 359.514 2.134 20 0 FEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000426245148 330271962 /nfs/dbraw/zinc/27/19/62/330271962.db2.gz LITYDQHPRFYCJF-ROUUACIJSA-N 1 3 366.550 2.146 20 0 FEADHO CC[C@@H](CNC(=O)CCCN1CCC([NH3+])CC1)N1CCc2ccccc2C1 ZINC000433156119 330273509 /nfs/dbraw/zinc/27/35/09/330273509.db2.gz AATNLKJANRXOTP-NRFANRHFSA-N 1 3 372.557 2.143 20 0 FEADHO CN(CCCN(C)C(=O)NCCC1CC[NH+](C)CC1)Cc1ccco1 ZINC000554001429 674299173 /nfs/dbraw/zinc/29/91/73/674299173.db2.gz ZSUUEQHMMKBLQJ-UHFFFAOYSA-N 1 3 350.507 2.475 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)n(C)c2)[C@H](C)C1 ZINC000554860424 674339023 /nfs/dbraw/zinc/33/90/23/674339023.db2.gz DRWZXVRFYYYAQI-NVXWUHKLSA-N 1 3 351.491 2.038 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107874238 517907924 /nfs/dbraw/zinc/90/79/24/517907924.db2.gz BZTPUGJQXIUSJD-IBGZPJMESA-N 1 3 372.513 2.164 20 0 FEADHO CCNC(=O)c1ccc(CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000156546212 545635203 /nfs/dbraw/zinc/63/52/03/545635203.db2.gz WGKXJUXDSKGIDX-FFZOFVMBSA-N 1 3 359.514 2.415 20 0 FEADHO CCNC(=O)c1ccc(CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000156546212 545635206 /nfs/dbraw/zinc/63/52/06/545635206.db2.gz WGKXJUXDSKGIDX-FFZOFVMBSA-N 1 3 359.514 2.415 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000477569674 561148293 /nfs/dbraw/zinc/14/82/93/561148293.db2.gz IXDSZQBLUKGOAU-SFHVURJKSA-N 1 3 365.543 2.387 20 0 FEADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000477631187 561149867 /nfs/dbraw/zinc/14/98/67/561149867.db2.gz BIIGUDSJLRDVIA-PMACEKPBSA-N 1 3 361.530 2.426 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000478406596 561166026 /nfs/dbraw/zinc/16/60/26/561166026.db2.gz VKEGBIFRASYYFY-UHFFFAOYSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@@H](NC1(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000478959190 561178898 /nfs/dbraw/zinc/17/88/98/561178898.db2.gz QVRGVYYDLUWDNI-SCTDSRPQSA-N 1 3 359.514 2.391 20 0 FEADHO Cc1cc2[nH]c(C[NH2+]CCCCN3CCN(CCO)CC3)cc2c(C)c1 ZINC000479362970 561188255 /nfs/dbraw/zinc/18/82/55/561188255.db2.gz FQVAWQBRRODBEC-UHFFFAOYSA-N 1 3 358.530 2.264 20 0 FEADHO CC(C)Nc1ncccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000175813344 546355485 /nfs/dbraw/zinc/35/54/85/546355485.db2.gz KSDNOJHPHIRQFX-UHFFFAOYSA-N 1 3 359.518 2.190 20 0 FEADHO C[C@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)N1CCCCCC1 ZINC000175832282 546358656 /nfs/dbraw/zinc/35/86/56/546358656.db2.gz FNKRKCJKKKOXPA-HSALFYBXSA-N 1 3 364.578 2.268 20 0 FEADHO C[C@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)N1CCCCCC1 ZINC000175832282 546358657 /nfs/dbraw/zinc/35/86/57/546358657.db2.gz FNKRKCJKKKOXPA-HSALFYBXSA-N 1 3 364.578 2.268 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CN(CC(C)C)CCO2)[C@H](C)C1 ZINC000480012032 561201290 /nfs/dbraw/zinc/20/12/90/561201290.db2.gz IDOUBXJNYXWTSA-AQNXPRMDSA-N 1 3 355.567 2.070 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CN(CC(C)C)CCO2)[C@H](C)C1 ZINC000480012032 561201291 /nfs/dbraw/zinc/20/12/91/561201291.db2.gz IDOUBXJNYXWTSA-AQNXPRMDSA-N 1 3 355.567 2.070 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CN(CC(C)C)CCO2)[C@H](C)C1 ZINC000480012032 561201292 /nfs/dbraw/zinc/20/12/92/561201292.db2.gz IDOUBXJNYXWTSA-AQNXPRMDSA-N 1 3 355.567 2.070 20 0 FEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176573838 546463376 /nfs/dbraw/zinc/46/33/76/546463376.db2.gz QAMWHJYRGHFSOJ-MOPGFXCFSA-N 1 3 366.550 2.144 20 0 FEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176573838 546463379 /nfs/dbraw/zinc/46/33/79/546463379.db2.gz QAMWHJYRGHFSOJ-MOPGFXCFSA-N 1 3 366.550 2.144 20 0 FEADHO c1cn(-c2ccc(CN3CCC(OCC[NH+]4CCCC4)CC3)cn2)cn1 ZINC000177362118 546600266 /nfs/dbraw/zinc/60/02/66/546600266.db2.gz LXPNRSWQLKBGQB-UHFFFAOYSA-N 1 3 355.486 2.344 20 0 FEADHO C[C@H](CN1CCCC1=O)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000177563567 546645082 /nfs/dbraw/zinc/64/50/82/546645082.db2.gz WEYNYCAWSKFRPA-QGZVFWFLSA-N 1 3 358.530 2.318 20 0 FEADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000178040286 546728787 /nfs/dbraw/zinc/72/87/87/546728787.db2.gz APUISHPEQMKSCK-ULQDDVLXSA-N 1 3 358.490 2.202 20 0 FEADHO CCN1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000481181063 561227163 /nfs/dbraw/zinc/22/71/63/561227163.db2.gz YNNDZXQXYIAQLM-ZJOUEHCJSA-N 1 3 372.557 2.039 20 0 FEADHO CCN1CCN(C(=O)[C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000481181063 561227164 /nfs/dbraw/zinc/22/71/64/561227164.db2.gz YNNDZXQXYIAQLM-ZJOUEHCJSA-N 1 3 372.557 2.039 20 0 FEADHO CCN1CCN(C(=O)[C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000481181063 561227165 /nfs/dbraw/zinc/22/71/65/561227165.db2.gz YNNDZXQXYIAQLM-ZJOUEHCJSA-N 1 3 372.557 2.039 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1C[C@H](C)N(C)C[C@H]1C ZINC000178746626 546843590 /nfs/dbraw/zinc/84/35/90/546843590.db2.gz NJLVVUIUBMVALN-GJYPPUQNSA-N 1 3 367.559 2.333 20 0 FEADHO CC[NH+](CC)CC1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000481805631 561242768 /nfs/dbraw/zinc/24/27/68/561242768.db2.gz BSWALGZZBPYHDF-SFHVURJKSA-N 1 3 356.580 2.187 20 0 FEADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc(N2CCCC2=O)c1 ZINC000482569309 561256181 /nfs/dbraw/zinc/25/61/81/561256181.db2.gz NFMFWWSYJZIJRH-FUHWJXTLSA-N 1 3 372.513 2.051 20 0 FEADHO C[C@@H]1C[C@@H](NCCNC(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000180834800 547189723 /nfs/dbraw/zinc/18/97/23/547189723.db2.gz MOLGILWCJACPPZ-DOMZBBRYSA-N 1 3 354.292 2.251 20 0 FEADHO C[C@@H]1C[C@@H](NCCNC(=O)c2cccc(Br)c2)CC[N@H+]1C ZINC000180834800 547189730 /nfs/dbraw/zinc/18/97/30/547189730.db2.gz MOLGILWCJACPPZ-DOMZBBRYSA-N 1 3 354.292 2.251 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180939159 547214421 /nfs/dbraw/zinc/21/44/21/547214421.db2.gz QKEIFCDQVXWFFT-QZTJIDSGSA-N 1 3 352.567 2.124 20 0 FEADHO COCCN1CC[C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000483093808 561267095 /nfs/dbraw/zinc/26/70/95/561267095.db2.gz CDILCTYACAMGBO-KRWDZBQOSA-N 1 3 354.539 2.051 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000182432387 547492034 /nfs/dbraw/zinc/49/20/34/547492034.db2.gz MVKIUXHDTWAFFX-HSALFYBXSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000182432387 547492037 /nfs/dbraw/zinc/49/20/37/547492037.db2.gz MVKIUXHDTWAFFX-HSALFYBXSA-N 1 3 358.530 2.285 20 0 FEADHO COc1cc(NC(=O)CCN2CC[C@@H]([C@H](C)[NH3+])C2)c(OC)cc1Cl ZINC000484903928 561308244 /nfs/dbraw/zinc/30/82/44/561308244.db2.gz IEYOPLBEMOIRFP-NWDGAFQWSA-N 1 3 355.866 2.355 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@](C)(CO)C1CCCCC1)c1ccccc1 ZINC000184585883 547849680 /nfs/dbraw/zinc/84/96/80/547849680.db2.gz ONWDCBZSLMJHNU-CTNGQTDRSA-N 1 3 361.530 2.326 20 0 FEADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485809113 561328618 /nfs/dbraw/zinc/32/86/18/561328618.db2.gz APIWCTNZDNSEJJ-MSOLQXFVSA-N 1 3 367.497 2.271 20 0 FEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000485817762 561328892 /nfs/dbraw/zinc/32/88/92/561328892.db2.gz VAYFFPWMZQGFST-RDJZCZTQSA-N 1 3 367.497 2.442 20 0 FEADHO Cn1cc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000194536358 548495534 /nfs/dbraw/zinc/49/55/34/548495534.db2.gz JPEINEDFIAOHOL-CALCHBBNSA-N 1 3 368.481 2.242 20 0 FEADHO Cn1cc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000194536358 548495537 /nfs/dbraw/zinc/49/55/37/548495537.db2.gz JPEINEDFIAOHOL-CALCHBBNSA-N 1 3 368.481 2.242 20 0 FEADHO CCNC(=O)C1(C[NH2+]Cc2ccccc2N2CCN(CC)CC2)CCC1 ZINC000486854265 561358292 /nfs/dbraw/zinc/35/82/92/561358292.db2.gz KNVPZJAWHBTSNF-UHFFFAOYSA-N 1 3 358.530 2.225 20 0 FEADHO CCN1CCN(Cc2ccc(CNC(=O)CCC3CC[NH2+]CC3)cc2)CC1 ZINC000236959333 548792100 /nfs/dbraw/zinc/79/21/00/548792100.db2.gz GAQYKBJBZPVKKI-UHFFFAOYSA-N 1 3 372.557 2.220 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CNC[C@@H]1CCCO1 ZINC000237343101 548819499 /nfs/dbraw/zinc/81/94/99/548819499.db2.gz WPLLYBKXCORQSF-XLIONFOSSA-N 1 3 359.514 2.446 20 0 FEADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CNC[C@@H]1CCCO1 ZINC000237343101 548819501 /nfs/dbraw/zinc/81/95/01/548819501.db2.gz WPLLYBKXCORQSF-XLIONFOSSA-N 1 3 359.514 2.446 20 0 FEADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC1CCN(CCc2ccncc2)CC1 ZINC000237881327 548861127 /nfs/dbraw/zinc/86/11/27/548861127.db2.gz JPDUGRGGBRDEFJ-CTXDPNEZSA-N 1 3 356.514 2.125 20 0 FEADHO [NH3+][C@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CC1 ZINC000245680163 548972670 /nfs/dbraw/zinc/97/26/70/548972670.db2.gz MJBSXLDVXOALGY-WBVHZDCISA-N 1 3 355.404 2.295 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000246360613 549113336 /nfs/dbraw/zinc/11/33/36/549113336.db2.gz PZUDKJFCMLWBQA-QFBILLFUSA-N 1 3 362.518 2.109 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000246360613 549113340 /nfs/dbraw/zinc/11/33/40/549113340.db2.gz PZUDKJFCMLWBQA-QFBILLFUSA-N 1 3 362.518 2.109 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000246533042 549154954 /nfs/dbraw/zinc/15/49/54/549154954.db2.gz UZMANMNLKFKYPP-BHIYHBOVSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000246533042 549154957 /nfs/dbraw/zinc/15/49/57/549154957.db2.gz UZMANMNLKFKYPP-BHIYHBOVSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000246734022 549198646 /nfs/dbraw/zinc/19/86/46/549198646.db2.gz VWWJSYYXLUIALN-ZHALLVOQSA-N 1 3 356.551 2.374 20 0 FEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000246906388 549239843 /nfs/dbraw/zinc/23/98/43/549239843.db2.gz KCESRAXWIBZDJH-FUHWJXTLSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000246906388 549239849 /nfs/dbraw/zinc/23/98/49/549239849.db2.gz KCESRAXWIBZDJH-FUHWJXTLSA-N 1 3 351.535 2.257 20 0 FEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sccc1COC ZINC000488967301 561400588 /nfs/dbraw/zinc/40/05/88/561400588.db2.gz AZNXHQGFASSXOX-MRXNPFEDSA-N 1 3 353.532 2.383 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)C[C@H]1CCC[C@@H]1O ZINC000247001732 549260933 /nfs/dbraw/zinc/26/09/33/549260933.db2.gz UFHGJFHOTILCMJ-QFUCXCTJSA-N 1 3 373.541 2.249 20 0 FEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000247217191 549301137 /nfs/dbraw/zinc/30/11/37/549301137.db2.gz XJGDMGQOTSKBHK-XNFNUYLZSA-N 1 3 359.514 2.414 20 0 FEADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247939811 549393417 /nfs/dbraw/zinc/39/34/17/549393417.db2.gz CXDYPRHZQXWEEJ-HOCLYGCPSA-N 1 3 372.506 2.117 20 0 FEADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247939811 549393422 /nfs/dbraw/zinc/39/34/22/549393422.db2.gz CXDYPRHZQXWEEJ-HOCLYGCPSA-N 1 3 372.506 2.117 20 0 FEADHO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CC[C@H]4[C@@H](CCCN4C)C3)c2cc1C ZINC000248046828 549402282 /nfs/dbraw/zinc/40/22/82/549402282.db2.gz VLAHIJOXEFEFGE-NSHGMRRFSA-N 1 3 356.514 2.430 20 0 FEADHO Cc1cc2ncn(C[C@H](O)C[N@H+]3CC[C@H]4[C@@H](CCCN4C)C3)c2cc1C ZINC000248046828 549402284 /nfs/dbraw/zinc/40/22/84/549402284.db2.gz VLAHIJOXEFEFGE-NSHGMRRFSA-N 1 3 356.514 2.430 20 0 FEADHO Cc1cc2ncn(C[C@H](O)CN3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2cc1C ZINC000248046828 549402286 /nfs/dbraw/zinc/40/22/86/549402286.db2.gz VLAHIJOXEFEFGE-NSHGMRRFSA-N 1 3 356.514 2.430 20 0 FEADHO Cc1cc2ncn(C[C@H](O)CN3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2cc1C ZINC000248046828 549402288 /nfs/dbraw/zinc/40/22/88/549402288.db2.gz VLAHIJOXEFEFGE-NSHGMRRFSA-N 1 3 356.514 2.430 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248406992 549430732 /nfs/dbraw/zinc/43/07/32/549430732.db2.gz TVBFIGGYDSOKHU-ZIFCJYIRSA-N 1 3 366.550 2.049 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248406992 549430735 /nfs/dbraw/zinc/43/07/35/549430735.db2.gz TVBFIGGYDSOKHU-ZIFCJYIRSA-N 1 3 366.550 2.049 20 0 FEADHO CN(C)C1(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)Cc2ccccc2C1 ZINC000489625330 561415820 /nfs/dbraw/zinc/41/58/20/561415820.db2.gz ZDCUNOUIWNPYTC-MOPGFXCFSA-N 1 3 358.530 2.258 20 0 FEADHO CCN(C)c1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000249627970 549612617 /nfs/dbraw/zinc/61/26/17/549612617.db2.gz QXILNLCEYHMYDJ-HXUWFJFHSA-N 1 3 354.498 2.394 20 0 FEADHO CCN(C)c1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cn1 ZINC000249627970 549612621 /nfs/dbraw/zinc/61/26/21/549612621.db2.gz QXILNLCEYHMYDJ-HXUWFJFHSA-N 1 3 354.498 2.394 20 0 FEADHO CCOC(=O)[C@@H]1CCCN(C/C=C\C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000255419312 549706040 /nfs/dbraw/zinc/70/60/40/549706040.db2.gz LZMGIIWKEHWYHM-OSFIAYCASA-N 1 3 366.502 2.093 20 0 FEADHO CCOC(=O)[C@@H]1CCCN(C/C=C\C[N@H+]2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000255419312 549706045 /nfs/dbraw/zinc/70/60/45/549706045.db2.gz LZMGIIWKEHWYHM-OSFIAYCASA-N 1 3 366.502 2.093 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000261754176 549751829 /nfs/dbraw/zinc/75/18/29/549751829.db2.gz HNEJVMGFOVYDKN-LMMKCTJWSA-N 1 3 351.535 2.114 20 0 FEADHO CN(C)Cc1ccc(-c2noc(C3(n4cccn4)CC[NH2+]CC3)n2)cc1 ZINC000263301638 549893718 /nfs/dbraw/zinc/89/37/18/549893718.db2.gz XDWMIYHTRRJICZ-UHFFFAOYSA-N 1 3 352.442 2.122 20 0 FEADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CNC[C@H]3CCCO3)cc2)C1 ZINC000269223753 550169474 /nfs/dbraw/zinc/16/94/74/550169474.db2.gz BYTREPKOXGHXNQ-YLJYHZDGSA-N 1 3 359.514 2.303 20 0 FEADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CNC[C@H]3CCCO3)cc2)C1 ZINC000269223753 550169475 /nfs/dbraw/zinc/16/94/75/550169475.db2.gz BYTREPKOXGHXNQ-YLJYHZDGSA-N 1 3 359.514 2.303 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C[C@H]2CNCCO2)C1 ZINC000269230916 550170026 /nfs/dbraw/zinc/17/00/26/550170026.db2.gz IPPXFFLMDMCFST-QKLQHJQFSA-N 1 3 359.514 2.159 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C[C@H]2CNCCO2)C1 ZINC000269230916 550170027 /nfs/dbraw/zinc/17/00/27/550170027.db2.gz IPPXFFLMDMCFST-QKLQHJQFSA-N 1 3 359.514 2.159 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000269266332 550174096 /nfs/dbraw/zinc/17/40/96/550174096.db2.gz PHHQMRWUKQAJDO-FKPGQJDZSA-N 1 3 359.514 2.028 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000269266332 550174100 /nfs/dbraw/zinc/17/41/00/550174100.db2.gz PHHQMRWUKQAJDO-FKPGQJDZSA-N 1 3 359.514 2.028 20 0 FEADHO CN(C)CCOc1cc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)ccn1 ZINC000270794236 550307549 /nfs/dbraw/zinc/30/75/49/550307549.db2.gz VPFSYFDVWMAHES-GOSISDBHSA-N 1 3 360.502 2.045 20 0 FEADHO CN(C)CCOc1cc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)ccn1 ZINC000270794236 550307551 /nfs/dbraw/zinc/30/75/51/550307551.db2.gz VPFSYFDVWMAHES-GOSISDBHSA-N 1 3 360.502 2.045 20 0 FEADHO CN(C)CCOc1cc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)ccn1 ZINC000270794237 550307696 /nfs/dbraw/zinc/30/76/96/550307696.db2.gz VPFSYFDVWMAHES-SFHVURJKSA-N 1 3 360.502 2.045 20 0 FEADHO CN(C)CCOc1cc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)ccn1 ZINC000270794237 550307697 /nfs/dbraw/zinc/30/76/97/550307697.db2.gz VPFSYFDVWMAHES-SFHVURJKSA-N 1 3 360.502 2.045 20 0 FEADHO CC[NH+]1CCC(NC[C@@H](O)COc2ccccc2Br)CC1 ZINC000271663587 550393921 /nfs/dbraw/zinc/39/39/21/550393921.db2.gz DVGRJRDRMISBHQ-CQSZACIVSA-N 1 3 357.292 2.263 20 0 FEADHO Cn1cc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000272720376 550466786 /nfs/dbraw/zinc/46/67/86/550466786.db2.gz XIAQCCGIZSNZAY-CWJKEVGVSA-N 1 3 354.498 2.344 20 0 FEADHO Cn1cc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000272720376 550466788 /nfs/dbraw/zinc/46/67/88/550466788.db2.gz XIAQCCGIZSNZAY-CWJKEVGVSA-N 1 3 354.498 2.344 20 0 FEADHO Cn1cc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000272720376 550466790 /nfs/dbraw/zinc/46/67/90/550466790.db2.gz XIAQCCGIZSNZAY-CWJKEVGVSA-N 1 3 354.498 2.344 20 0 FEADHO CCN(CC)C(=O)C[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000272738104 550467778 /nfs/dbraw/zinc/46/77/78/550467778.db2.gz KISKBVYCASTKGZ-XLIONFOSSA-N 1 3 361.530 2.380 20 0 FEADHO CCN(CC)C(=O)C[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272738104 550467779 /nfs/dbraw/zinc/46/77/79/550467779.db2.gz KISKBVYCASTKGZ-XLIONFOSSA-N 1 3 361.530 2.380 20 0 FEADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000273076000 550483967 /nfs/dbraw/zinc/48/39/67/550483967.db2.gz GMRHFCHYZJFDAK-LEWJYISDSA-N 1 3 371.525 2.276 20 0 FEADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000273076000 550483969 /nfs/dbraw/zinc/48/39/69/550483969.db2.gz GMRHFCHYZJFDAK-LEWJYISDSA-N 1 3 371.525 2.276 20 0 FEADHO C[NH+](C)[C@@H](CNC(=O)CN1CCCC2(CCOCC2)C1)c1ccccc1 ZINC000274680307 550549235 /nfs/dbraw/zinc/54/92/35/550549235.db2.gz WREVJZYINLXKQN-IBGZPJMESA-N 1 3 359.514 2.298 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CCC[N@H+](CC)CC3)c2)CC1 ZINC000274785221 550554512 /nfs/dbraw/zinc/55/45/12/550554512.db2.gz GRJXXRXDUJKFDQ-UHFFFAOYSA-N 1 3 359.518 2.388 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CCC[N@@H+](CC)CC3)c2)CC1 ZINC000274785221 550554514 /nfs/dbraw/zinc/55/45/14/550554514.db2.gz GRJXXRXDUJKFDQ-UHFFFAOYSA-N 1 3 359.518 2.388 20 0 FEADHO CN1C(=O)CCc2cc(C[NH2+]C3CCN([C@@H]4CCC[C@H]4O)CC3)ccc21 ZINC000274790485 550554731 /nfs/dbraw/zinc/55/47/31/550554731.db2.gz MKPOMPNZKOHRDG-WOJBJXKFSA-N 1 3 357.498 2.063 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NCC3=CC[N@H+](C)CC3)c2)CC1 ZINC000274829410 550557954 /nfs/dbraw/zinc/55/79/54/550557954.db2.gz QPKMONTUFRCTCR-UHFFFAOYSA-N 1 3 357.502 2.212 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NCC3=CC[N@@H+](C)CC3)c2)CC1 ZINC000274829410 550557955 /nfs/dbraw/zinc/55/79/55/550557955.db2.gz QPKMONTUFRCTCR-UHFFFAOYSA-N 1 3 357.502 2.212 20 0 FEADHO COCCN(C)c1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000276941924 550613525 /nfs/dbraw/zinc/61/35/25/550613525.db2.gz HDSPYCHNMQNRER-QZTJIDSGSA-N 1 3 364.534 2.143 20 0 FEADHO CN(c1ccccc1C[NH2+]CC1(N2CCOCC2)CC1)C1CCN(C)CC1 ZINC000277480508 550675681 /nfs/dbraw/zinc/67/56/81/550675681.db2.gz LYUXAVBHZLKLTH-UHFFFAOYSA-N 1 3 372.557 2.171 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCC[N@H+](C)C2CC2)N(C)C)cc1 ZINC000496411823 561493824 /nfs/dbraw/zinc/49/38/24/561493824.db2.gz OSSFPJKVPZIAGM-LJQANCHMSA-N 1 3 362.518 2.470 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCC[N@@H+](C)C2CC2)N(C)C)cc1 ZINC000496411823 561493825 /nfs/dbraw/zinc/49/38/25/561493825.db2.gz OSSFPJKVPZIAGM-LJQANCHMSA-N 1 3 362.518 2.470 20 0 FEADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)[C@@H]2C1 ZINC000497360867 561499203 /nfs/dbraw/zinc/49/92/03/561499203.db2.gz CMKDYTCCSPEGQC-VAMGGRTRSA-N 1 3 356.514 2.387 20 0 FEADHO C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)[C@@H]2C1 ZINC000497360867 561499204 /nfs/dbraw/zinc/49/92/04/561499204.db2.gz CMKDYTCCSPEGQC-VAMGGRTRSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282185321 551192108 /nfs/dbraw/zinc/19/21/08/551192108.db2.gz FWZVEUIXNSSEIL-HNNXBMFYSA-N 1 3 350.482 2.158 20 0 FEADHO COCCCn1nccc1C[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000282537370 551243745 /nfs/dbraw/zinc/24/37/45/551243745.db2.gz BLRKQSGZVKOEDE-UHFFFAOYSA-N 1 3 360.502 2.192 20 0 FEADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286225657 551863207 /nfs/dbraw/zinc/86/32/07/551863207.db2.gz SOXWPKBRKMBSGQ-JVPBZIDWSA-N 1 3 373.497 2.436 20 0 FEADHO C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)[C@@H](c1ccccc1)N(C)C ZINC000287237246 551979843 /nfs/dbraw/zinc/97/98/43/551979843.db2.gz AVBJIIUSOSMTNH-WMZOPIPTSA-N 1 3 362.518 2.088 20 0 FEADHO FC(F)(F)[C@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CCO1 ZINC000287621050 552026555 /nfs/dbraw/zinc/02/65/55/552026555.db2.gz JVQLZZPWIPAEGT-NVXWUHKLSA-N 1 3 372.435 2.293 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000288218829 552112869 /nfs/dbraw/zinc/11/28/69/552112869.db2.gz PFNPZTIYSBGQDZ-KXBFYZLASA-N 1 3 360.502 2.248 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000288218829 552112871 /nfs/dbraw/zinc/11/28/71/552112871.db2.gz PFNPZTIYSBGQDZ-KXBFYZLASA-N 1 3 360.502 2.248 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000288759374 552207153 /nfs/dbraw/zinc/20/71/53/552207153.db2.gz ODMVWLHTZYOPNC-LBPRGKRZSA-N 1 3 360.483 2.152 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)CC2)c1 ZINC000289353346 552305972 /nfs/dbraw/zinc/30/59/72/552305972.db2.gz YEFOJHFENQHOGM-JOCHJYFZSA-N 1 3 370.541 2.109 20 0 FEADHO C[C@@H](C(=O)Nc1ccccc1Cl)N(C)CCCN(C)CC[NH+](C)C ZINC000289536569 552336748 /nfs/dbraw/zinc/33/67/48/552336748.db2.gz WJWFXICCCFAGKC-HNNXBMFYSA-N 1 3 354.926 2.482 20 0 FEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000289831457 552385858 /nfs/dbraw/zinc/38/58/58/552385858.db2.gz JTJYKBCHOKAIIC-RDTXWAMCSA-N 1 3 373.501 2.229 20 0 FEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000290037301 552417757 /nfs/dbraw/zinc/41/77/57/552417757.db2.gz GIZZBZBSKOSKQT-ZWKOTPCHSA-N 1 3 373.501 2.229 20 0 FEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000290107269 552428646 /nfs/dbraw/zinc/42/86/46/552428646.db2.gz XZXDTQCFHDEWLO-TZIWHRDSSA-N 1 3 372.557 2.089 20 0 FEADHO Cc1nn(-c2ccccn2)c(C)c1CN(C)CCC[N@@H+](C)CCN(C)C ZINC000290119765 552430347 /nfs/dbraw/zinc/43/03/47/552430347.db2.gz ITHBMWBKVNZTKX-UHFFFAOYSA-N 1 3 358.534 2.199 20 0 FEADHO Cc1nn(-c2ccccn2)c(C)c1CN(C)CCC[N@H+](C)CCN(C)C ZINC000290119765 552430349 /nfs/dbraw/zinc/43/03/49/552430349.db2.gz ITHBMWBKVNZTKX-UHFFFAOYSA-N 1 3 358.534 2.199 20 0 FEADHO Cc1nn(-c2ccccn2)c(C)c1CN(C)CCCN(C)CC[NH+](C)C ZINC000290119765 552430350 /nfs/dbraw/zinc/43/03/50/552430350.db2.gz ITHBMWBKVNZTKX-UHFFFAOYSA-N 1 3 358.534 2.199 20 0 FEADHO CN1CC[C@@]2(CC[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)C2)C1 ZINC000292220293 552705724 /nfs/dbraw/zinc/70/57/24/552705724.db2.gz AAZFDZUDZVYYIF-HXUWFJFHSA-N 1 3 354.454 2.376 20 0 FEADHO CN1CC[C@@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)C2)C1 ZINC000292220293 552705725 /nfs/dbraw/zinc/70/57/25/552705725.db2.gz AAZFDZUDZVYYIF-HXUWFJFHSA-N 1 3 354.454 2.376 20 0 FEADHO NC(=O)[N-]C(=O)OCCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293384823 552818185 /nfs/dbraw/zinc/81/81/85/552818185.db2.gz PWLHCZACYULIPJ-UHFFFAOYSA-N 1 3 374.485 2.170 20 0 FEADHO NC(=O)[N-]C(=O)OCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293384823 552818186 /nfs/dbraw/zinc/81/81/86/552818186.db2.gz PWLHCZACYULIPJ-UHFFFAOYSA-N 1 3 374.485 2.170 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000294118617 552883420 /nfs/dbraw/zinc/88/34/20/552883420.db2.gz OUBPWUIAFFNCLE-AZUAARDMSA-N 1 3 358.530 2.223 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000294496565 552910991 /nfs/dbraw/zinc/91/09/91/552910991.db2.gz IAWQBERSNZISOX-DBVUQKKJSA-N 1 3 352.494 2.456 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000294496565 552910992 /nfs/dbraw/zinc/91/09/92/552910992.db2.gz IAWQBERSNZISOX-DBVUQKKJSA-N 1 3 352.494 2.456 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000296997843 553240200 /nfs/dbraw/zinc/24/02/00/553240200.db2.gz LVWISNVVXNDADV-IHWFROFDSA-N 1 3 370.541 2.249 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000296997843 553240202 /nfs/dbraw/zinc/24/02/02/553240202.db2.gz LVWISNVVXNDADV-IHWFROFDSA-N 1 3 370.541 2.249 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297287461 553273886 /nfs/dbraw/zinc/27/38/86/553273886.db2.gz HCLNDHMRPNRUPA-LJQANCHMSA-N 1 3 358.530 2.475 20 0 FEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000503250863 561638074 /nfs/dbraw/zinc/63/80/74/561638074.db2.gz KGBFESJEFARHSC-AQNXPRMDSA-N 1 3 359.514 2.003 20 0 FEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000503250863 561638075 /nfs/dbraw/zinc/63/80/75/561638075.db2.gz KGBFESJEFARHSC-AQNXPRMDSA-N 1 3 359.514 2.003 20 0 FEADHO O=C(NCCNC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000298567736 553441936 /nfs/dbraw/zinc/44/19/36/553441936.db2.gz WRRHAOKQIQLODG-UHFFFAOYSA-N 1 3 366.303 2.395 20 0 FEADHO COc1cc2nccc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c2cc1OC ZINC000298927248 553490723 /nfs/dbraw/zinc/49/07/23/553490723.db2.gz PBLQLRIUJUZKCW-HNNXBMFYSA-N 1 3 357.454 2.411 20 0 FEADHO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000504562177 561659842 /nfs/dbraw/zinc/65/98/42/561659842.db2.gz XFPSDRJCNMTSDN-QAPCUYQASA-N 1 3 357.564 2.091 20 0 FEADHO CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1)C(C)C ZINC000505335997 561669704 /nfs/dbraw/zinc/66/97/04/561669704.db2.gz RQKLXQVDRIKNRX-UHFFFAOYSA-N 1 3 362.518 2.264 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312682222 553756691 /nfs/dbraw/zinc/75/66/91/553756691.db2.gz PIKGRZQEJQLYAE-PSHVLCQKSA-N 1 3 371.525 2.157 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312682222 553756693 /nfs/dbraw/zinc/75/66/93/553756693.db2.gz PIKGRZQEJQLYAE-PSHVLCQKSA-N 1 3 371.525 2.157 20 0 FEADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000328283737 553793586 /nfs/dbraw/zinc/79/35/86/553793586.db2.gz HLGRFUYEHUBENY-MBOZVWFJSA-N 1 3 351.535 2.098 20 0 FEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000328283737 553793589 /nfs/dbraw/zinc/79/35/89/553793589.db2.gz HLGRFUYEHUBENY-MBOZVWFJSA-N 1 3 351.535 2.098 20 0 FEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000506530974 561701216 /nfs/dbraw/zinc/70/12/16/561701216.db2.gz OWOHJLZWJMQQJM-CTNGQTDRSA-N 1 3 361.530 2.249 20 0 FEADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000506535791 561701478 /nfs/dbraw/zinc/70/14/78/561701478.db2.gz UYRRHHUDESSXPS-IFMALSPDSA-N 1 3 373.541 2.346 20 0 FEADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000506535791 561701479 /nfs/dbraw/zinc/70/14/79/561701479.db2.gz UYRRHHUDESSXPS-IFMALSPDSA-N 1 3 373.541 2.346 20 0 FEADHO CC[N@H+]1CCC[C@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000507388230 561727663 /nfs/dbraw/zinc/72/76/63/561727663.db2.gz DZFZLBNONGLFGN-QGZVFWFLSA-N 1 3 358.530 2.117 20 0 FEADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000507388230 561727660 /nfs/dbraw/zinc/72/76/60/561727660.db2.gz DZFZLBNONGLFGN-QGZVFWFLSA-N 1 3 358.530 2.117 20 0 FEADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000507508373 561731300 /nfs/dbraw/zinc/73/13/00/561731300.db2.gz JNNVTBCBKYYTRB-FXAWDEMLSA-N 1 3 359.514 2.417 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)NC3CCC([NH3+])CC3)CC2)C[C@H](C)O1 ZINC000331486569 554272724 /nfs/dbraw/zinc/27/27/24/554272724.db2.gz JCOANWMUMOTNHX-CCZBSFLLSA-N 1 3 366.550 2.177 20 0 FEADHO CC[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1c(C)noc1C ZINC000509950699 561819409 /nfs/dbraw/zinc/81/94/09/561819409.db2.gz BMWVRPJVDXHJMV-SFHVURJKSA-N 1 3 362.518 2.460 20 0 FEADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccccc3N3CCOCC3)CC2)C1 ZINC000333116141 554574497 /nfs/dbraw/zinc/57/44/97/554574497.db2.gz HJQPQFYNCVSRIM-PZJWPPBQSA-N 1 3 359.514 2.242 20 0 FEADHO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000333279851 554598073 /nfs/dbraw/zinc/59/80/73/554598073.db2.gz MFTMPSYXMPXTSX-FGTMMUONSA-N 1 3 371.591 2.480 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000333368153 554606940 /nfs/dbraw/zinc/60/69/40/554606940.db2.gz UOIXIIQMDMBNTI-HNNXBMFYSA-N 1 3 358.486 2.049 20 0 FEADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000333372297 554607239 /nfs/dbraw/zinc/60/72/39/554607239.db2.gz MOLIIXGJHGOJAV-HOTGVXAUSA-N 1 3 354.564 2.035 20 0 FEADHO C[C@]1(CNC(=O)NCC2(N3CCSCC3)CCCCC2)CCC[NH2+]C1 ZINC000333440252 554613450 /nfs/dbraw/zinc/61/34/50/554613450.db2.gz VYTULPCYJDJCAW-SFHVURJKSA-N 1 3 368.591 2.427 20 0 FEADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)C2)CC1 ZINC000360061020 554861865 /nfs/dbraw/zinc/86/18/65/554861865.db2.gz RXKZGXZFMNVYSU-RYQLBKOJSA-N 1 3 366.550 2.190 20 0 FEADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCCN(CCCc2ccccc2)CC1 ZINC000362807183 554990086 /nfs/dbraw/zinc/99/00/86/554990086.db2.gz QXNPKXIKDLEZQF-NRFANRHFSA-N 1 3 355.526 2.495 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)CC1 ZINC000511762219 561880078 /nfs/dbraw/zinc/88/00/78/561880078.db2.gz KUJCBPISNVGPEA-QHAWAJNXSA-N 1 3 371.525 2.091 20 0 FEADHO CCCN1CCCN(C(=O)N[C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000363241135 555061657 /nfs/dbraw/zinc/06/16/57/555061657.db2.gz BYKJUOLMBOIXED-RTBURBONSA-N 1 3 368.566 2.251 20 0 FEADHO CCCN1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000363241135 555061658 /nfs/dbraw/zinc/06/16/58/555061658.db2.gz BYKJUOLMBOIXED-RTBURBONSA-N 1 3 368.566 2.251 20 0 FEADHO CN1CC[C@H](CNC(=O)NCC2CC[NH+](C)CC2)[C@@H]1c1cccs1 ZINC000363251134 555063885 /nfs/dbraw/zinc/06/38/85/555063885.db2.gz ZOUJNNSERJDOEC-NVXWUHKLSA-N 1 3 350.532 2.382 20 0 FEADHO C[N@H+](CCNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)C1CCCC1 ZINC000363519263 555126092 /nfs/dbraw/zinc/12/60/92/555126092.db2.gz CEKSVNAGRVNIEV-IBGZPJMESA-N 1 3 373.545 2.467 20 0 FEADHO C[N@@H+](CCNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)C1CCCC1 ZINC000363519263 555126093 /nfs/dbraw/zinc/12/60/93/555126093.db2.gz CEKSVNAGRVNIEV-IBGZPJMESA-N 1 3 373.545 2.467 20 0 FEADHO CN(C)Cc1cnc(CNCC2(N3CCCCC3)CC[NH+](C)CC2)s1 ZINC000512007179 561888773 /nfs/dbraw/zinc/88/87/73/561888773.db2.gz MJSXJRCZVMMVKS-UHFFFAOYSA-N 1 3 365.591 2.245 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)C1 ZINC000363645176 555153824 /nfs/dbraw/zinc/15/38/24/555153824.db2.gz CDAGLLOJYZMUCF-NCXUSEDFSA-N 1 3 366.550 2.002 20 0 FEADHO Cc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363711603 555169840 /nfs/dbraw/zinc/16/98/40/555169840.db2.gz HNPSJHYHQAEKTB-UAFMIMERSA-N 1 3 362.514 2.214 20 0 FEADHO Cc1ccccc1OC[C@H](O)CN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363711603 555169842 /nfs/dbraw/zinc/16/98/42/555169842.db2.gz HNPSJHYHQAEKTB-UAFMIMERSA-N 1 3 362.514 2.214 20 0 FEADHO C[C@@H](O)C[C@H]1CCCCCN1C[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512443991 561905128 /nfs/dbraw/zinc/90/51/28/561905128.db2.gz JMTPVKHASZDGRX-JCUFNKLESA-N 1 3 370.578 2.378 20 0 FEADHO C[C@@H](O)C[C@H]1CCCCCN1C[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512443991 561905129 /nfs/dbraw/zinc/90/51/29/561905129.db2.gz JMTPVKHASZDGRX-JCUFNKLESA-N 1 3 370.578 2.378 20 0 FEADHO C[C@@H](O)C[C@H]1CCCCC[N@H+]1C[C@H](O)CN1CCCCC[C@H]1C[C@H](C)O ZINC000512443991 561905130 /nfs/dbraw/zinc/90/51/30/561905130.db2.gz JMTPVKHASZDGRX-JCUFNKLESA-N 1 3 370.578 2.378 20 0 FEADHO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1C[C@H](O)CN1CCCCC[C@H]1C[C@H](C)O ZINC000512443991 561905131 /nfs/dbraw/zinc/90/51/31/561905131.db2.gz JMTPVKHASZDGRX-JCUFNKLESA-N 1 3 370.578 2.378 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000364981453 555456321 /nfs/dbraw/zinc/45/63/21/555456321.db2.gz JZAWNSXDDOMDFP-PKOBYXMFSA-N 1 3 372.513 2.020 20 0 FEADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365279134 555530580 /nfs/dbraw/zinc/53/05/80/555530580.db2.gz NMMBWENGWQNTMU-QZTJIDSGSA-N 1 3 361.534 2.219 20 0 FEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000365279134 555530582 /nfs/dbraw/zinc/53/05/82/555530582.db2.gz NMMBWENGWQNTMU-QZTJIDSGSA-N 1 3 361.534 2.219 20 0 FEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000365279134 555530583 /nfs/dbraw/zinc/53/05/83/555530583.db2.gz NMMBWENGWQNTMU-QZTJIDSGSA-N 1 3 361.534 2.219 20 0 FEADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365279135 555530855 /nfs/dbraw/zinc/53/08/55/555530855.db2.gz NMMBWENGWQNTMU-ROUUACIJSA-N 1 3 361.534 2.219 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000365279135 555530857 /nfs/dbraw/zinc/53/08/57/555530857.db2.gz NMMBWENGWQNTMU-ROUUACIJSA-N 1 3 361.534 2.219 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000365279135 555530859 /nfs/dbraw/zinc/53/08/59/555530859.db2.gz NMMBWENGWQNTMU-ROUUACIJSA-N 1 3 361.534 2.219 20 0 FEADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000365443851 555577420 /nfs/dbraw/zinc/57/74/20/555577420.db2.gz PQWKCJQSTTYSQA-AZUAARDMSA-N 1 3 364.578 2.173 20 0 FEADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000365443851 555577422 /nfs/dbraw/zinc/57/74/22/555577422.db2.gz PQWKCJQSTTYSQA-AZUAARDMSA-N 1 3 364.578 2.173 20 0 FEADHO CCN1CCN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cn2)CC1 ZINC000514099757 561960239 /nfs/dbraw/zinc/96/02/39/561960239.db2.gz QLYCNUXNDOLZHY-XUVXKRRUSA-N 1 3 357.546 2.186 20 0 FEADHO CCN1CCN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cn2)CC1 ZINC000514099757 561960241 /nfs/dbraw/zinc/96/02/41/561960241.db2.gz QLYCNUXNDOLZHY-XUVXKRRUSA-N 1 3 357.546 2.186 20 0 FEADHO C[C@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N1CCC[C@@H](C)C1 ZINC000366821090 555943493 /nfs/dbraw/zinc/94/34/93/555943493.db2.gz BGICORJLYTWZRV-ZHALLVOQSA-N 1 3 350.551 2.480 20 0 FEADHO CSc1ccc(OC[C@@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000514597624 561968692 /nfs/dbraw/zinc/96/86/92/561968692.db2.gz VCINTPMYIJOHOD-IRXDYDNUSA-N 1 3 368.543 2.239 20 0 FEADHO CSc1ccc(OC[C@@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000514597624 561968693 /nfs/dbraw/zinc/96/86/93/561968693.db2.gz VCINTPMYIJOHOD-IRXDYDNUSA-N 1 3 368.543 2.239 20 0 FEADHO CN1CCN(CCC[NH2+][C@H]2C[C@H](C3CC3)N(Cc3ccccc3)C2)CC1 ZINC000367894195 556167092 /nfs/dbraw/zinc/16/70/92/556167092.db2.gz BNQWIKVGYICGEU-FCHUYYIVSA-N 1 3 356.558 2.267 20 0 FEADHO COC(=O)c1cc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cn1C ZINC000368020774 556197045 /nfs/dbraw/zinc/19/70/45/556197045.db2.gz WYLDVQYGQABUEV-GOSISDBHSA-N 1 3 355.482 2.466 20 0 FEADHO O=C(NCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1F ZINC000515053328 561994165 /nfs/dbraw/zinc/99/41/65/561994165.db2.gz OICWRUFKQMCDFI-NQIIRXRSSA-N 1 3 369.440 2.401 20 0 FEADHO O[C@H](COCC(F)(F)F)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368396566 556296129 /nfs/dbraw/zinc/29/61/29/556296129.db2.gz DUMFRJBBYYODLY-BZSNNMDCSA-N 1 3 372.431 2.380 20 0 FEADHO O[C@H](COCC(F)(F)F)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368396566 556296134 /nfs/dbraw/zinc/29/61/34/556296134.db2.gz DUMFRJBBYYODLY-BZSNNMDCSA-N 1 3 372.431 2.380 20 0 FEADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCN2CCc2ccccc2)C1 ZINC000368410674 556300616 /nfs/dbraw/zinc/30/06/16/556300616.db2.gz CVRQPNAMKJQLNS-VQTJNVASSA-N 1 3 358.530 2.287 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC000368470634 556319638 /nfs/dbraw/zinc/31/96/38/556319638.db2.gz MXTPRMOYAZUQME-QGZVFWFLSA-N 1 3 366.550 2.146 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H]3CCC[C@@H](N)C3)CC2)cc1 ZINC000515498302 562013248 /nfs/dbraw/zinc/01/32/48/562013248.db2.gz FZYRFFPTNKDHJS-WBVHZDCISA-N 1 3 365.543 2.309 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC(N[C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000515498302 562013249 /nfs/dbraw/zinc/01/32/49/562013249.db2.gz FZYRFFPTNKDHJS-WBVHZDCISA-N 1 3 365.543 2.309 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000368819098 556422059 /nfs/dbraw/zinc/42/20/59/556422059.db2.gz ZPEZAYZCPOPIJL-JLYLLQBASA-N 1 3 374.529 2.299 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000368819098 556422061 /nfs/dbraw/zinc/42/20/61/556422061.db2.gz ZPEZAYZCPOPIJL-JLYLLQBASA-N 1 3 374.529 2.299 20 0 FEADHO CN(C)CCN1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000369008108 556474692 /nfs/dbraw/zinc/47/46/92/556474692.db2.gz CQERBPGQOQJASD-UHFFFAOYSA-N 1 3 372.557 2.382 20 0 FEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000369028334 556481598 /nfs/dbraw/zinc/48/15/98/556481598.db2.gz WOFOIPUFASNJMX-VQTJNVASSA-N 1 3 374.529 2.191 20 0 FEADHO COCCN(CCN(C)C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000369048833 556488803 /nfs/dbraw/zinc/48/88/03/556488803.db2.gz XZRXANACZYLKOT-UHFFFAOYSA-N 1 3 368.566 2.251 20 0 FEADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369194720 556532143 /nfs/dbraw/zinc/53/21/43/556532143.db2.gz GFJGVBNOQTWOTE-OALUTQOASA-N 1 3 359.518 2.029 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369746724 556684332 /nfs/dbraw/zinc/68/43/32/556684332.db2.gz VUQHQCADEQFDFA-WOJBJXKFSA-N 1 3 373.545 2.419 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000370056402 556768480 /nfs/dbraw/zinc/76/84/80/556768480.db2.gz QPFAYZUBOQHQLA-FQEVSTJZSA-N 1 3 373.545 2.214 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000370056402 556768483 /nfs/dbraw/zinc/76/84/83/556768483.db2.gz QPFAYZUBOQHQLA-FQEVSTJZSA-N 1 3 373.545 2.214 20 0 FEADHO COCCOc1cccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000370705586 556945225 /nfs/dbraw/zinc/94/52/25/556945225.db2.gz HPTMTKPCFMDJOM-NQIIRXRSSA-N 1 3 361.530 2.170 20 0 FEADHO COCCOc1cccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000370705586 556945226 /nfs/dbraw/zinc/94/52/26/556945226.db2.gz HPTMTKPCFMDJOM-NQIIRXRSSA-N 1 3 361.530 2.170 20 0 FEADHO C[N@@H+]1C[C@@H]2CN(C(=O)C3(N)Cc4ccccc4C3)C[C@H]2[C@@H]1c1ccccc1 ZINC000370770930 556963030 /nfs/dbraw/zinc/96/30/30/556963030.db2.gz FOXFUKHYCLOOFK-NJYVYQBISA-N 1 3 361.489 2.244 20 0 FEADHO C[N@H+]1C[C@@H]2CN(C(=O)C3(N)Cc4ccccc4C3)C[C@H]2[C@@H]1c1ccccc1 ZINC000370770930 556963032 /nfs/dbraw/zinc/96/30/32/556963032.db2.gz FOXFUKHYCLOOFK-NJYVYQBISA-N 1 3 361.489 2.244 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C3CC3)C3CC[NH2+]CC3)CC2)c1 ZINC000370793313 556970076 /nfs/dbraw/zinc/97/00/76/556970076.db2.gz KUGBUFIZMJSLEO-UHFFFAOYSA-N 1 3 370.541 2.250 20 0 FEADHO C[C@H]1CN(CCC(=O)Nc2ccccc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371301057 557137520 /nfs/dbraw/zinc/13/75/20/557137520.db2.gz CXBKIIHVULVMMR-QFBILLFUSA-N 1 3 362.493 2.112 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000517418662 562089468 /nfs/dbraw/zinc/08/94/68/562089468.db2.gz HZQHRRVRRHMOBH-IRXDYDNUSA-N 1 3 368.566 2.438 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000517418662 562089469 /nfs/dbraw/zinc/08/94/69/562089469.db2.gz HZQHRRVRRHMOBH-IRXDYDNUSA-N 1 3 368.566 2.438 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000371606013 557237483 /nfs/dbraw/zinc/23/74/83/557237483.db2.gz SFBZBCAUGRVQRL-PMACEKPBSA-N 1 3 373.545 2.325 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000371606013 557237484 /nfs/dbraw/zinc/23/74/84/557237484.db2.gz SFBZBCAUGRVQRL-PMACEKPBSA-N 1 3 373.545 2.325 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000371687719 557262882 /nfs/dbraw/zinc/26/28/82/557262882.db2.gz ZTPDVWYBZDOLSW-JCGIZDLHSA-N 1 3 359.470 2.407 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000371687719 557262883 /nfs/dbraw/zinc/26/28/83/557262883.db2.gz ZTPDVWYBZDOLSW-JCGIZDLHSA-N 1 3 359.470 2.407 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000371687718 557263136 /nfs/dbraw/zinc/26/31/36/557263136.db2.gz ZTPDVWYBZDOLSW-BMGDILEWSA-N 1 3 359.470 2.407 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000371687718 557263139 /nfs/dbraw/zinc/26/31/39/557263139.db2.gz ZTPDVWYBZDOLSW-BMGDILEWSA-N 1 3 359.470 2.407 20 0 FEADHO CCc1nc(C)c([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)s1 ZINC000518360050 562109531 /nfs/dbraw/zinc/10/95/31/562109531.db2.gz GPGDYLKAOPCAPZ-ZLENFMNRSA-N 1 3 350.532 2.311 20 0 FEADHO Fc1ccc(CCN2CCC([NH2+]C[C@@H]3CN4CCC[C@H]4CO3)CC2)cc1 ZINC000372065600 557370670 /nfs/dbraw/zinc/37/06/70/557370670.db2.gz QVDVNSOYTUSZCN-LEWJYISDSA-N 1 3 361.505 2.285 20 0 FEADHO C[C@H](C(=O)N1CCc2ccccc21)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372364966 557450826 /nfs/dbraw/zinc/45/08/26/557450826.db2.gz ICZGGJMSOFBLHP-YLJYHZDGSA-N 1 3 370.541 2.065 20 0 FEADHO C[C@@H](C(=O)N1CCc2ccccc21)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372364962 557450948 /nfs/dbraw/zinc/45/09/48/557450948.db2.gz ICZGGJMSOFBLHP-PXNSSMCTSA-N 1 3 370.541 2.065 20 0 FEADHO OC1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)Cc2ccccc2C1 ZINC000519537730 562134068 /nfs/dbraw/zinc/13/40/68/562134068.db2.gz DGFWYFHIVXJSMC-KNQAVFIVSA-N 1 3 350.462 2.362 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000373136748 557636045 /nfs/dbraw/zinc/63/60/45/557636045.db2.gz DUMBCHOSAHECTN-JOCHJYFZSA-N 1 3 372.557 2.487 20 0 FEADHO C[C@H]1N(C[C@H](O)C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000373180000 557645219 /nfs/dbraw/zinc/64/52/19/557645219.db2.gz MZEAFFYNACGQAG-BWTSREIZSA-N 1 3 366.546 2.129 20 0 FEADHO C[C@H]1N(C[C@H](O)C[N@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000373180000 557645221 /nfs/dbraw/zinc/64/52/21/557645221.db2.gz MZEAFFYNACGQAG-BWTSREIZSA-N 1 3 366.546 2.129 20 0 FEADHO C[C@H]1[N@H+](C[C@H](O)CN2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000373180000 557645223 /nfs/dbraw/zinc/64/52/23/557645223.db2.gz MZEAFFYNACGQAG-BWTSREIZSA-N 1 3 366.546 2.129 20 0 FEADHO C[C@H]1[N@@H+](C[C@H](O)CN2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000373180000 557645226 /nfs/dbraw/zinc/64/52/26/557645226.db2.gz MZEAFFYNACGQAG-BWTSREIZSA-N 1 3 366.546 2.129 20 0 FEADHO C[C@H](CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)[N@H+](C)Cc1ccccc1 ZINC000373435072 557692547 /nfs/dbraw/zinc/69/25/47/557692547.db2.gz JVVDQGGOERBMFB-LNNXQNCSSA-N 1 3 359.514 2.156 20 0 FEADHO C[C@H](CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000373435072 557692551 /nfs/dbraw/zinc/69/25/51/557692551.db2.gz JVVDQGGOERBMFB-LNNXQNCSSA-N 1 3 359.514 2.156 20 0 FEADHO CN1CC[C@@H](CNC(=O)c2csc(CC[NH3+])n2)[C@@H]1c1cccs1 ZINC000373518450 557709663 /nfs/dbraw/zinc/70/96/63/557709663.db2.gz YDMJBTIPAJCOJZ-XHDPSFHLSA-N 1 3 350.513 2.129 20 0 FEADHO Fc1ccc([C@@H](NC2CCC([NH+]3CCNCC3)CC2)c2ncc[nH]2)cc1 ZINC000520565579 562159168 /nfs/dbraw/zinc/15/91/68/562159168.db2.gz OBHAKKZWIAFLTA-CTWPCTMYSA-N 1 3 357.477 2.444 20 0 FEADHO Fc1ccc([C@@H](NC2CCC(N3CC[NH2+]CC3)CC2)c2ncc[nH]2)cc1 ZINC000520565579 562159169 /nfs/dbraw/zinc/15/91/69/562159169.db2.gz OBHAKKZWIAFLTA-CTWPCTMYSA-N 1 3 357.477 2.444 20 0 FEADHO CN(CCC[NH+]1CCCC1)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000373991221 557802811 /nfs/dbraw/zinc/80/28/11/557802811.db2.gz TWBNXXMBVCPTGQ-UHFFFAOYSA-N 1 3 373.545 2.216 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000374166447 557835945 /nfs/dbraw/zinc/83/59/45/557835945.db2.gz WULYTMOFFONGKQ-QFIPXVFZSA-N 1 3 372.557 2.042 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000374166447 557835947 /nfs/dbraw/zinc/83/59/47/557835947.db2.gz WULYTMOFFONGKQ-QFIPXVFZSA-N 1 3 372.557 2.042 20 0 FEADHO CC(C)N1CCN(CCC[NH+]2CCC(C(=O)Nc3ccccn3)CC2)CC1 ZINC000374322692 557865364 /nfs/dbraw/zinc/86/53/64/557865364.db2.gz FPCXHDXDEAYVBS-UHFFFAOYSA-N 1 3 373.545 2.148 20 0 FEADHO CC(C)N1CCN(CCC[N@H+](C)C2CCN(c3ccccn3)CC2)CC1 ZINC000374335900 557867729 /nfs/dbraw/zinc/86/77/29/557867729.db2.gz AHQPVRCJDNQBBS-UHFFFAOYSA-N 1 3 359.562 2.398 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+](C)C2CCN(c3ccccn3)CC2)CC1 ZINC000374335900 557867730 /nfs/dbraw/zinc/86/77/30/557867730.db2.gz AHQPVRCJDNQBBS-UHFFFAOYSA-N 1 3 359.562 2.398 20 0 FEADHO CN(c1ccccc1CN[C@H]1CC(=O)N2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000374592897 557903834 /nfs/dbraw/zinc/90/38/34/557903834.db2.gz LDUNRDXFQCCTNC-FPOVZHCZSA-N 1 3 370.541 2.460 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]4CC[N@H+](C)[C@@H]4C3)cc2)CC1 ZINC000375062806 557972188 /nfs/dbraw/zinc/97/21/88/557972188.db2.gz CFCYCVFTRMGWID-WIYYLYMNSA-N 1 3 370.541 2.383 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]4CC[N@@H+](C)[C@@H]4C3)cc2)CC1 ZINC000375062806 557972189 /nfs/dbraw/zinc/97/21/89/557972189.db2.gz CFCYCVFTRMGWID-WIYYLYMNSA-N 1 3 370.541 2.383 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]4CC[N@H+](C)[C@H]4C3)cc2)CC1 ZINC000375062802 557972261 /nfs/dbraw/zinc/97/22/61/557972261.db2.gz CFCYCVFTRMGWID-NQIIRXRSSA-N 1 3 370.541 2.383 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]4CC[N@@H+](C)[C@H]4C3)cc2)CC1 ZINC000375062802 557972263 /nfs/dbraw/zinc/97/22/63/557972263.db2.gz CFCYCVFTRMGWID-NQIIRXRSSA-N 1 3 370.541 2.383 20 0 FEADHO C[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(OCCN(C)C)cc1 ZINC000375844283 558088330 /nfs/dbraw/zinc/08/83/30/558088330.db2.gz COSXJFXTHMNAPI-SJLPKXTDSA-N 1 3 357.502 2.290 20 0 FEADHO C[C@H](NC(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccs1 ZINC000376798978 558222928 /nfs/dbraw/zinc/22/29/28/558222928.db2.gz MBWFFNCHZWBDEG-DOTOQJQBSA-N 1 3 364.559 2.026 20 0 FEADHO C[C@@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000376810220 558224418 /nfs/dbraw/zinc/22/44/18/558224418.db2.gz GWHZVWRWLWLNJJ-IEBWSBKVSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000376810220 558224420 /nfs/dbraw/zinc/22/44/20/558224420.db2.gz GWHZVWRWLWLNJJ-IEBWSBKVSA-N 1 3 356.514 2.458 20 0 FEADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000377321310 558315200 /nfs/dbraw/zinc/31/52/00/558315200.db2.gz JYJFWIPARIESSR-FQEVSTJZSA-N 1 3 369.525 2.302 20 0 FEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000377535646 558359541 /nfs/dbraw/zinc/35/95/41/558359541.db2.gz KCXUFUSMZOLBQW-AYOQOUSVSA-N 1 3 372.513 2.179 20 0 FEADHO CN(CCCN(C)CC(=O)N1CCC[C@H]1c1ccsc1)CC[NH+](C)C ZINC000377535988 558359962 /nfs/dbraw/zinc/35/99/62/558359962.db2.gz ONUUXCKGHGADMT-SFHVURJKSA-N 1 3 366.575 2.227 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000522317553 562196889 /nfs/dbraw/zinc/19/68/89/562196889.db2.gz SXKMUUAPXRJMCL-GOSISDBHSA-N 1 3 368.566 2.393 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000522317553 562196890 /nfs/dbraw/zinc/19/68/90/562196890.db2.gz SXKMUUAPXRJMCL-GOSISDBHSA-N 1 3 368.566 2.393 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(-n2ccnc2)c1 ZINC000522761344 562203329 /nfs/dbraw/zinc/20/33/29/562203329.db2.gz PNRSKJQJXHDLPJ-FQEVSTJZSA-N 1 3 369.513 2.360 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(-n2ccnc2)c1 ZINC000522761344 562203330 /nfs/dbraw/zinc/20/33/30/562203330.db2.gz PNRSKJQJXHDLPJ-FQEVSTJZSA-N 1 3 369.513 2.360 20 0 FEADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc2c(c1)C[NH2+]C2 ZINC000391148711 558613712 /nfs/dbraw/zinc/61/37/12/558613712.db2.gz VRLSKDNKAHAHHN-NRFANRHFSA-N 1 3 365.477 2.311 20 0 FEADHO Cc1cccc(C)c1OC[C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524901245 562237267 /nfs/dbraw/zinc/23/72/67/562237267.db2.gz SRVNHCDLDSTFCS-GOSISDBHSA-N 1 3 364.534 2.206 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@@H]2C)ccc1C[NH+](C)C ZINC000411221888 558855680 /nfs/dbraw/zinc/85/56/80/558855680.db2.gz FQSLXHFOGODSBI-CALCHBBNSA-N 1 3 374.529 2.374 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000411462823 558899042 /nfs/dbraw/zinc/89/90/42/558899042.db2.gz RDBSUPYQKUHWOZ-GHTZIAJQSA-N 1 3 359.514 2.343 20 0 FEADHO CN(C)C1(CNC(=O)N(C)CC2([NH+](C)C)CCC2)Cc2ccccc2C1 ZINC000525837279 562256929 /nfs/dbraw/zinc/25/69/29/562256929.db2.gz MHPZHZYUKDOLRO-UHFFFAOYSA-N 1 3 358.530 2.211 20 0 FEADHO CO[C@H]1c2ccccc2C[C@H]1NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000411893364 558983905 /nfs/dbraw/zinc/98/39/05/558983905.db2.gz NJHWNODXCOWRAQ-URVUXULASA-N 1 3 367.493 2.308 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000526134337 562267991 /nfs/dbraw/zinc/26/79/91/562267991.db2.gz QXHDIUQTSOPWBP-UHFFFAOYSA-N 1 3 353.414 2.119 20 0 FEADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414190510 559152102 /nfs/dbraw/zinc/15/21/02/559152102.db2.gz KNTSDVPZWHDLGS-OAQYLSRUSA-N 1 3 373.541 2.459 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000414698816 559180690 /nfs/dbraw/zinc/18/06/90/559180690.db2.gz XYZVNWGSADCJGG-INIZCTEOSA-N 1 3 360.502 2.115 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000414698816 559180692 /nfs/dbraw/zinc/18/06/92/559180692.db2.gz XYZVNWGSADCJGG-INIZCTEOSA-N 1 3 360.502 2.115 20 0 FEADHO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414737234 559183293 /nfs/dbraw/zinc/18/32/93/559183293.db2.gz AHPFHXOZUUOYFI-WMLDXEAASA-N 1 3 353.894 2.157 20 0 FEADHO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414737234 559183294 /nfs/dbraw/zinc/18/32/94/559183294.db2.gz AHPFHXOZUUOYFI-WMLDXEAASA-N 1 3 353.894 2.157 20 0 FEADHO C[C@@H]1C[C@H](CN(C)CCCOc2cccc(S(C)(=O)=O)c2)CC[NH2+]1 ZINC000414754433 559185224 /nfs/dbraw/zinc/18/52/24/559185224.db2.gz XXUGYTWUEMOMRC-HZPDHXFCSA-N 1 3 354.516 2.179 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000414848840 559190681 /nfs/dbraw/zinc/19/06/81/559190681.db2.gz GSWZIZNBCOHAKH-SFHVURJKSA-N 1 3 372.513 2.212 20 0 FEADHO FC(F)Oc1ccc(CNCCN2CC[NH2+]CC2)cc1Br ZINC000414866990 559191746 /nfs/dbraw/zinc/19/17/46/559191746.db2.gz NQRLQJNTYQATDW-UHFFFAOYSA-N 1 3 364.234 2.045 20 0 FEADHO c1[nH]nc(-c2ccc3c(c2)OCO3)c1CNCCC[NH2+]Cc1cccnc1 ZINC000414876730 559192348 /nfs/dbraw/zinc/19/23/48/559192348.db2.gz KWPJKJRBCOLCRD-UHFFFAOYSA-N 1 3 365.437 2.470 20 0 FEADHO C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415064854 559203349 /nfs/dbraw/zinc/20/33/49/559203349.db2.gz DXJYXYBYPPKPPL-JKSUJKDBSA-N 1 3 362.543 2.492 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)C1 ZINC000415083651 559204468 /nfs/dbraw/zinc/20/44/68/559204468.db2.gz OANJUOUFZRKRME-HOTGVXAUSA-N 1 3 364.921 2.096 20 0 FEADHO COc1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc(OC)c1OC ZINC000415102421 559205343 /nfs/dbraw/zinc/20/53/43/559205343.db2.gz CCTMCAHGUIAAID-VQIMIIECSA-N 1 3 364.486 2.431 20 0 FEADHO C[C@]1(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)CC[NH2+]C1 ZINC000415106836 559205467 /nfs/dbraw/zinc/20/54/67/559205467.db2.gz NKHUHXZHCVCUHA-LSTHTHJFSA-N 1 3 353.470 2.485 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)C1 ZINC000415108851 559205823 /nfs/dbraw/zinc/20/58/23/559205823.db2.gz PHEUFKJXDQFJSD-MRXNPFEDSA-N 1 3 372.444 2.300 20 0 FEADHO COc1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc2c1OCCO2 ZINC000415122822 559206346 /nfs/dbraw/zinc/20/63/46/559206346.db2.gz ISCJDAKMSDPRNV-APWZRJJASA-N 1 3 362.470 2.185 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)C1 ZINC000415130458 559207021 /nfs/dbraw/zinc/20/70/21/559207021.db2.gz WUOYCHKPUSCWQF-WIYYLYMNSA-N 1 3 373.541 2.457 20 0 FEADHO Cc1ccc(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(OCCN(C)C)c1 ZINC000415205666 559214830 /nfs/dbraw/zinc/21/48/30/559214830.db2.gz QZMATRJUUGHEMN-FUHWJXTLSA-N 1 3 360.502 2.445 20 0 FEADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415258840 559219202 /nfs/dbraw/zinc/21/92/02/559219202.db2.gz SJELNBWCBQIKHS-UHFFFAOYSA-N 1 3 374.529 2.443 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000415270197 559219977 /nfs/dbraw/zinc/21/99/77/559219977.db2.gz POXIZPOKAICBTL-MRXNPFEDSA-N 1 3 372.513 2.067 20 0 FEADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415422600 559234247 /nfs/dbraw/zinc/23/42/47/559234247.db2.gz DWXFGJMNJKETPW-GOSISDBHSA-N 1 3 360.502 2.101 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2ccccc2CCN(C)C)cc1 ZINC000415462556 559239677 /nfs/dbraw/zinc/23/96/77/559239677.db2.gz HFYWESWSUPPTEQ-AWEZNQCLSA-N 1 3 354.454 2.388 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])c2)CC1 ZINC000415497589 559243637 /nfs/dbraw/zinc/24/36/37/559243637.db2.gz IFOUCNGWJUBZOE-APWZRJJASA-N 1 3 359.518 2.468 20 0 FEADHO CN(C)C[C@@H](O)COc1ccc(NC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000415979335 559286840 /nfs/dbraw/zinc/28/68/40/559286840.db2.gz QLSYIIQNOSJBJZ-QGZVFWFLSA-N 1 3 358.442 2.091 20 0 FEADHO CC[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)N1CCc2ccccc2C1 ZINC000415990905 559287451 /nfs/dbraw/zinc/28/74/51/559287451.db2.gz DUDUXCGJFIPLAE-CVEARBPZSA-N 1 3 372.435 2.402 20 0 FEADHO COc1cc(NC(=O)C2CC[NH+](C3CC3)CC2)ccc1OCCN(C)C ZINC000416335650 559306409 /nfs/dbraw/zinc/30/64/09/559306409.db2.gz VXVVVWBAJICSEW-UHFFFAOYSA-N 1 3 361.486 2.449 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1cccc(OC)c1 ZINC000416905903 559337506 /nfs/dbraw/zinc/33/75/06/559337506.db2.gz GRDGPCDZNPHJFN-PZJWPPBQSA-N 1 3 374.529 2.473 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1cccc(OC)c1 ZINC000416924082 559338659 /nfs/dbraw/zinc/33/86/59/559338659.db2.gz OLWNIHGYKGSJGQ-ATZDWAIDSA-N 1 3 362.518 2.375 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000416970147 559340920 /nfs/dbraw/zinc/34/09/20/559340920.db2.gz DNOINDJWUVKDOM-BGYRXZFFSA-N 1 3 370.541 2.335 20 0 FEADHO C[C@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000416970316 559340954 /nfs/dbraw/zinc/34/09/54/559340954.db2.gz DWQZHOYAFWKWCW-PKOBYXMFSA-N 1 3 358.530 2.320 20 0 FEADHO CC(C)(CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCc2ccccc2C1 ZINC000417090801 559347396 /nfs/dbraw/zinc/34/73/96/559347396.db2.gz YQSRCIMBZQQYDY-RBUKOAKNSA-N 1 3 356.514 2.217 20 0 FEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417111889 559348224 /nfs/dbraw/zinc/34/82/24/559348224.db2.gz MHGYIZRGHDZRJW-INIZCTEOSA-N 1 3 356.580 2.363 20 0 FEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417120457 559348783 /nfs/dbraw/zinc/34/87/83/559348783.db2.gz VHLVFGVNEGRHJS-HOTGVXAUSA-N 1 3 354.564 2.165 20 0 FEADHO COCCCN1CCC(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417439544 559362357 /nfs/dbraw/zinc/36/23/57/559362357.db2.gz LYZSILKCHSOQAV-LJQANCHMSA-N 1 3 362.518 2.267 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000417499067 559364782 /nfs/dbraw/zinc/36/47/82/559364782.db2.gz DTWWQAUSEUHNHL-XNMUZJSGSA-N 1 3 374.529 2.278 20 0 FEADHO CCc1ccccc1[C@@H](N)CNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000417526726 559366050 /nfs/dbraw/zinc/36/60/50/559366050.db2.gz UZYUNYVMOFPZOL-IBGZPJMESA-N 1 3 374.529 2.193 20 0 FEADHO CC1(C)CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCN1 ZINC000417620613 559369452 /nfs/dbraw/zinc/36/94/52/559369452.db2.gz DHGDXAQPSHAXSU-UHFFFAOYSA-N 1 3 354.564 2.132 20 0 FEADHO CCc1ccccc1[C@@H](N)CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000417688590 559372442 /nfs/dbraw/zinc/37/24/42/559372442.db2.gz XGNQHYJPEYDTFK-UZLBHIALSA-N 1 3 374.529 2.049 20 0 FEADHO COC[C@@]1(CNC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CCC[NH2+]1 ZINC000417689550 559372659 /nfs/dbraw/zinc/37/26/59/559372659.db2.gz KKAQPUMSXBPITN-UTKZUKDTSA-N 1 3 374.529 2.280 20 0 FEADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417691927 559372770 /nfs/dbraw/zinc/37/27/70/559372770.db2.gz XKOHPUHQFCNQJS-HSALFYBXSA-N 1 3 370.541 2.320 20 0 FEADHO CN(C)C1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc2C1 ZINC000417732981 559374562 /nfs/dbraw/zinc/37/45/62/559374562.db2.gz HYIBDEBVMVLXKX-DFNIBXOVSA-N 1 3 356.514 2.010 20 0 FEADHO C[C@@H](CCNC(=O)N[C@@H]1CNCCC1(F)F)[N@H+](C)Cc1ccccc1 ZINC000417817990 559377500 /nfs/dbraw/zinc/37/75/00/559377500.db2.gz RXWFSSGQSUVOSZ-GOEBONIOSA-N 1 3 354.445 2.193 20 0 FEADHO C[C@@H](CCNC(=O)N[C@@H]1CNCCC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000417817990 559377501 /nfs/dbraw/zinc/37/75/01/559377501.db2.gz RXWFSSGQSUVOSZ-GOEBONIOSA-N 1 3 354.445 2.193 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000417821550 559377720 /nfs/dbraw/zinc/37/77/20/559377720.db2.gz ZMVNPUOBBGGRDU-MRXNPFEDSA-N 1 3 362.518 2.395 20 0 FEADHO COC[C@]1(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000417830400 559378135 /nfs/dbraw/zinc/37/81/35/559378135.db2.gz GTYAEVLVNUGBSZ-YFVAEKQCSA-N 1 3 374.529 2.107 20 0 FEADHO CO[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000417837817 559378730 /nfs/dbraw/zinc/37/87/30/559378730.db2.gz MPQFGYUGGUXCRH-OJAHFUOMSA-N 1 3 374.529 2.187 20 0 FEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418021815 559387024 /nfs/dbraw/zinc/38/70/24/559387024.db2.gz AHPMJHACOIITQW-ZCNNSNEGSA-N 1 3 358.530 2.394 20 0 FEADHO C[C@]1(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCCN1Cc1ccccc1 ZINC000418045856 559387954 /nfs/dbraw/zinc/38/79/54/559387954.db2.gz PHWGZZNJMAWOCD-NHCUHLMSSA-N 1 3 356.514 2.436 20 0 FEADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418071463 559389094 /nfs/dbraw/zinc/38/90/94/559389094.db2.gz IVMSCVIVEKYVSM-PMACEKPBSA-N 1 3 374.529 2.109 20 0 FEADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000418152498 559392021 /nfs/dbraw/zinc/39/20/21/559392021.db2.gz TZMLWSYNWNYFDZ-AABGKKOBSA-N 1 3 356.514 2.433 20 0 FEADHO CO[C@@H]1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000418157018 559392319 /nfs/dbraw/zinc/39/23/19/559392319.db2.gz XMSYOOVPIBVEJH-ZCNNSNEGSA-N 1 3 374.529 2.045 20 0 FEADHO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418165803 559392538 /nfs/dbraw/zinc/39/25/38/559392538.db2.gz IXEXXZJSERJRQX-KRWDZBQOSA-N 1 3 362.518 2.332 20 0 FEADHO C[C@H]1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)[C@H](C[NH3+])C1 ZINC000418171096 559392857 /nfs/dbraw/zinc/39/28/57/559392857.db2.gz PNFVOJOPXTZWMC-WMZOPIPTSA-N 1 3 374.529 2.428 20 0 FEADHO CSC1(CNC(=O)N(CCC[NH3+])CC2CCCC2)CCN(C)CC1 ZINC000418195754 559393707 /nfs/dbraw/zinc/39/37/07/559393707.db2.gz GMBKJTNXZXXEAN-UHFFFAOYSA-N 1 3 356.580 2.364 20 0 FEADHO CSC1(CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CCN(C)CC1 ZINC000418198224 559393741 /nfs/dbraw/zinc/39/37/41/559393741.db2.gz LADFWUGFMDISPL-MRXNPFEDSA-N 1 3 368.591 2.233 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)N(C)C)cc1 ZINC000418210247 559394115 /nfs/dbraw/zinc/39/41/15/559394115.db2.gz SMTUDLQYSOCDML-MNEFBYGVSA-N 1 3 362.518 2.374 20 0 FEADHO CO[C@@H]1CCN(C(=O)NCC2(N(C)Cc3ccccc3)CCC2)[C@H](C[NH3+])C1 ZINC000418241582 559395247 /nfs/dbraw/zinc/39/52/47/559395247.db2.gz KGVPVHMDSSTIEJ-RBUKOAKNSA-N 1 3 374.529 2.189 20 0 FEADHO O=C(NCCC[NH2+]C1CC1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418300857 559396889 /nfs/dbraw/zinc/39/68/89/559396889.db2.gz NQUMNINAMDIKTC-OAQYLSRUSA-N 1 3 356.514 2.436 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCC[NH2+]C1CC1 ZINC000418302901 559396891 /nfs/dbraw/zinc/39/68/91/559396891.db2.gz RBTQGVGAGDIJBC-UHFFFAOYSA-N 1 3 354.445 2.180 20 0 FEADHO O=C(NC[C@@H]1CCC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418325935 559397616 /nfs/dbraw/zinc/39/76/16/559397616.db2.gz XGALBGBXOIHHHQ-AABGKKOBSA-N 1 3 356.514 2.150 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418348568 559398461 /nfs/dbraw/zinc/39/84/61/559398461.db2.gz OPQRTPAGGJDEBL-MRXNPFEDSA-N 1 3 350.482 2.289 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418349282 559398654 /nfs/dbraw/zinc/39/86/54/559398654.db2.gz PKDNGMXDZJKJHW-INIZCTEOSA-N 1 3 350.482 2.289 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418356947 559398758 /nfs/dbraw/zinc/39/87/58/559398758.db2.gz YVDIJIJBAHPBRU-INIZCTEOSA-N 1 3 350.482 2.289 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418428511 559401271 /nfs/dbraw/zinc/40/12/71/559401271.db2.gz MORWAIRSZIELBY-IBGZPJMESA-N 1 3 362.518 2.219 20 0 FEADHO CCN(C(=O)NCC[NH2+]CCOC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418499408 559403957 /nfs/dbraw/zinc/40/39/57/559403957.db2.gz OAFMZNGLQTUJQH-IEBWSBKVSA-N 1 3 362.518 2.089 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418546672 559405637 /nfs/dbraw/zinc/40/56/37/559405637.db2.gz QOVKEALUAPIYKX-TZIWHRDSSA-N 1 3 373.545 2.467 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418604938 559407527 /nfs/dbraw/zinc/40/75/27/559407527.db2.gz YCSFOKIVTYLLIR-YFVAEKQCSA-N 1 3 356.514 2.292 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418622282 559408331 /nfs/dbraw/zinc/40/83/31/559408331.db2.gz MXMCCSOOSBJXJN-GOSISDBHSA-N 1 3 350.482 2.416 20 0 FEADHO O=C(NC[C@@H]1NCCc2ccccc21)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418637624 559408813 /nfs/dbraw/zinc/40/88/13/559408813.db2.gz NRVZQWHNVWZGNW-PMACEKPBSA-N 1 3 350.466 2.060 20 0 FEADHO C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCN(C2CCC2)C1 ZINC000418691782 559411477 /nfs/dbraw/zinc/41/14/77/559411477.db2.gz ZEECSFOSEAGHCT-FFZOFVMBSA-N 1 3 356.514 2.258 20 0 FEADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418755479 559414287 /nfs/dbraw/zinc/41/42/87/559414287.db2.gz XNHNQVCZETWIPA-JKSUJKDBSA-N 1 3 358.477 2.281 20 0 FEADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000418780136 559415840 /nfs/dbraw/zinc/41/58/40/559415840.db2.gz BMZLIOHIFZLGCY-WOJBJXKFSA-N 1 3 358.530 2.464 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418784915 559415914 /nfs/dbraw/zinc/41/59/14/559415914.db2.gz HKCJLBJRQRIWOB-CEXWTWQISA-N 1 3 359.518 2.205 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418796104 559416370 /nfs/dbraw/zinc/41/63/70/559416370.db2.gz SVOMFAOCFHMKNC-CZUORRHYSA-N 1 3 354.445 2.165 20 0 FEADHO [NH3+]C[C@H]1CN(CCC(=O)Nc2cccc(Cl)c2)CC12CCOCC2 ZINC000420337423 559481653 /nfs/dbraw/zinc/48/16/53/559481653.db2.gz WXRNZGLCIYDZGC-AWEZNQCLSA-N 1 3 351.878 2.356 20 0 FEADHO NC[C@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)CC12CCOCC2 ZINC000420337423 559481654 /nfs/dbraw/zinc/48/16/54/559481654.db2.gz WXRNZGLCIYDZGC-AWEZNQCLSA-N 1 3 351.878 2.356 20 0 FEADHO NC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC12CCOCC2 ZINC000420337423 559481655 /nfs/dbraw/zinc/48/16/55/559481655.db2.gz WXRNZGLCIYDZGC-AWEZNQCLSA-N 1 3 351.878 2.356 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H](C)C[C@H](C)N)CC2)cc1 ZINC000422822792 559607613 /nfs/dbraw/zinc/60/76/13/559607613.db2.gz KPWVRSCMAYJEAN-GJZGRUSLSA-N 1 3 353.532 2.164 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC(N[C@@H](C)C[C@H](C)[NH3+])CC2)cc1 ZINC000422822792 559607614 /nfs/dbraw/zinc/60/76/14/559607614.db2.gz KPWVRSCMAYJEAN-GJZGRUSLSA-N 1 3 353.532 2.164 20 0 FEADHO CCOc1ccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)N)CCOCC2)cc1 ZINC000422880142 559609675 /nfs/dbraw/zinc/60/96/75/559609675.db2.gz NIPHDVAUVGDPNG-FFZOFVMBSA-N 1 3 362.514 2.475 20 0 FEADHO COc1cc(OC)cc(OCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422930431 559611733 /nfs/dbraw/zinc/61/17/33/559611733.db2.gz UIGYMUZJQNWOQQ-SLFFLAALSA-N 1 3 364.486 2.219 20 0 FEADHO COC[C@@H](CCC[NH3+])NCc1cc(Br)c2c(c1)OCCO2 ZINC000422932214 559611826 /nfs/dbraw/zinc/61/18/26/559611826.db2.gz FCPGHUBHLYNWEN-GFCCVEGCSA-N 1 3 359.264 2.064 20 0 FEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000422963121 559613077 /nfs/dbraw/zinc/61/30/77/559613077.db2.gz HOYLEHAMBHXHOV-BEVDRBHNSA-N 1 3 354.498 2.135 20 0 FEADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000423012589 559615125 /nfs/dbraw/zinc/61/51/25/559615125.db2.gz LDBVRPZVGWLUCV-KDOFPFPSSA-N 1 3 369.506 2.086 20 0 FEADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423023786 559615422 /nfs/dbraw/zinc/61/54/22/559615422.db2.gz IARUQTFSHNRAGN-NJYVYQBISA-N 1 3 366.509 2.010 20 0 FEADHO COC[C@@H](CCC[NH3+])NCc1cn2cc(Br)cc(C)c2n1 ZINC000423036053 559616116 /nfs/dbraw/zinc/61/61/16/559616116.db2.gz KQGOBHGJVLSVGU-CYBMUJFWSA-N 1 3 355.280 2.249 20 0 FEADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000423045624 559616343 /nfs/dbraw/zinc/61/63/43/559616343.db2.gz CJYHRYKCDIDFSC-JKSUJKDBSA-N 1 3 355.479 2.115 20 0 FEADHO Fc1ccc(Br)c2c1CC[C@@H]2NCCCN1CC[NH2+]CC1 ZINC000423179526 559622133 /nfs/dbraw/zinc/62/21/33/559622133.db2.gz MLAOQXHJOPVQSJ-HNNXBMFYSA-N 1 3 356.283 2.460 20 0 FEADHO FC(F)(F)[C@H](CN[C@H]1CSCCc2ccccc21)N1CC[NH2+]CC1 ZINC000423375137 559627230 /nfs/dbraw/zinc/62/72/30/559627230.db2.gz CVIXIZMPZYFIHW-HOTGVXAUSA-N 1 3 359.461 2.443 20 0 FEADHO Cn1ccnc1[C@H](NC1CCC([NH+]2CCNCC2)CC1)c1cccc(F)c1 ZINC000423518877 559630763 /nfs/dbraw/zinc/63/07/63/559630763.db2.gz PJKAFJOGAAYIQK-SOAGJPPSSA-N 1 3 371.504 2.455 20 0 FEADHO Cn1ccnc1[C@H](NC1CCC(N2CC[NH2+]CC2)CC1)c1cccc(F)c1 ZINC000423518877 559630764 /nfs/dbraw/zinc/63/07/64/559630764.db2.gz PJKAFJOGAAYIQK-SOAGJPPSSA-N 1 3 371.504 2.455 20 0 FEADHO C[C@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000423988445 559649284 /nfs/dbraw/zinc/64/92/84/559649284.db2.gz ATSKNYIXHZBDEP-OALUTQOASA-N 1 3 358.530 2.032 20 0 FEADHO CN(CCCN1CCN(C)CC1)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424167945 559656503 /nfs/dbraw/zinc/65/65/03/559656503.db2.gz FJLFQTOKIAYJGW-LJQANCHMSA-N 1 3 352.567 2.160 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])N2CCCC2)cc1 ZINC000424452619 559665675 /nfs/dbraw/zinc/66/56/75/559665675.db2.gz IGUJUHOONKBPCP-QRVBRYPASA-N 1 3 360.502 2.401 20 0 FEADHO COCC[N@H+](C)CCCC1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425422460 559701306 /nfs/dbraw/zinc/70/13/06/559701306.db2.gz PBXRTIYIQFFLSI-GOSISDBHSA-N 1 3 353.551 2.456 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425422460 559701307 /nfs/dbraw/zinc/70/13/07/559701307.db2.gz PBXRTIYIQFFLSI-GOSISDBHSA-N 1 3 353.551 2.456 20 0 FEADHO O=C(C[C@@H]1CCC[NH2+]CC1)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000427315924 559753180 /nfs/dbraw/zinc/75/31/80/559753180.db2.gz PVIVUFDVUJPJGC-QGZVFWFLSA-N 1 3 372.513 2.231 20 0 FEADHO COc1cc(NC(=O)CCN[C@@](C)(C[NH3+])C2CC2)c(OC)cc1Cl ZINC000430563319 559822781 /nfs/dbraw/zinc/82/27/81/559822781.db2.gz VORKFBHYZVWMKS-KRWDZBQOSA-N 1 3 355.866 2.403 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000430601906 559824412 /nfs/dbraw/zinc/82/44/12/559824412.db2.gz FFIXOOFZTLBBAZ-CTNGQTDRSA-N 1 3 372.557 2.231 20 0 FEADHO COc1cc(NC(=O)CCN(C)C2CC[NH2+]CC2)c(OC)cc1Cl ZINC000430623127 559825027 /nfs/dbraw/zinc/82/50/27/559825027.db2.gz GRSIYXGMWAIDLP-UHFFFAOYSA-N 1 3 355.866 2.370 20 0 FEADHO COc1cc(NC(=O)CC[N@H+](C)C2CCNCC2)c(OC)cc1Cl ZINC000430623127 559825028 /nfs/dbraw/zinc/82/50/28/559825028.db2.gz GRSIYXGMWAIDLP-UHFFFAOYSA-N 1 3 355.866 2.370 20 0 FEADHO COc1cc(NC(=O)CC[N@@H+](C)C2CCNCC2)c(OC)cc1Cl ZINC000430623127 559825029 /nfs/dbraw/zinc/82/50/29/559825029.db2.gz GRSIYXGMWAIDLP-UHFFFAOYSA-N 1 3 355.866 2.370 20 0 FEADHO COc1cc(NC(=O)CCN2CCC[C@H](C[NH3+])C2)c(OC)cc1Cl ZINC000430670954 559826041 /nfs/dbraw/zinc/82/60/41/559826041.db2.gz WRIDKPOVMCFAHS-GFCCVEGCSA-N 1 3 355.866 2.357 20 0 FEADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000430710838 559826985 /nfs/dbraw/zinc/82/69/85/559826985.db2.gz UOVPZGNODVSBLW-LJQANCHMSA-N 1 3 358.530 2.093 20 0 FEADHO COCC[C@]1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]C1 ZINC000430910552 559830048 /nfs/dbraw/zinc/83/00/48/559830048.db2.gz VOUXEKJAQRMDFA-SLYNCCJLSA-N 1 3 359.514 2.172 20 0 FEADHO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N1CCC2(CC[NH2+]C2)CC1 ZINC000431014807 559832374 /nfs/dbraw/zinc/83/23/74/559832374.db2.gz POICSBUTVOCZAM-JKSUJKDBSA-N 1 3 373.497 2.099 20 0 FEADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3CCCCCC[C@H]3[NH3+])cc2)CC1 ZINC000431017749 559832390 /nfs/dbraw/zinc/83/23/90/559832390.db2.gz RTJSMFVRPQIXOV-LEWJYISDSA-N 1 3 372.557 2.348 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCCO1 ZINC000433333010 559877276 /nfs/dbraw/zinc/87/72/76/559877276.db2.gz BWWLUFIAYXGZNL-INIZCTEOSA-N 1 3 354.539 2.049 20 0 FEADHO CN(C)Cc1ccccc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000433378889 559879227 /nfs/dbraw/zinc/87/92/27/559879227.db2.gz RWGIMTMZBVUSOE-FQEVSTJZSA-N 1 3 367.493 2.245 20 0 FEADHO CN(C)Cc1ccccc1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000433378889 559879228 /nfs/dbraw/zinc/87/92/28/559879228.db2.gz RWGIMTMZBVUSOE-FQEVSTJZSA-N 1 3 367.493 2.245 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCC(CCC[NH+](C)C)CC2)CCCO1 ZINC000433454654 559881616 /nfs/dbraw/zinc/88/16/16/559881616.db2.gz GIRHVTLSXAZAMU-GOSISDBHSA-N 1 3 368.566 2.251 20 0 FEADHO CN1CCN(Cc2ccc(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)cc2)CC1 ZINC000434442434 559900450 /nfs/dbraw/zinc/90/04/50/559900450.db2.gz NJYPFLUWGRMXQG-OAQYLSRUSA-N 1 3 370.541 2.181 20 0 FEADHO CN1CCN(Cc2ccc(C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)cc2)CC1 ZINC000434442434 559900451 /nfs/dbraw/zinc/90/04/51/559900451.db2.gz NJYPFLUWGRMXQG-OAQYLSRUSA-N 1 3 370.541 2.181 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3OCC(=O)N3CCCC3)C[C@@H]21 ZINC000435384776 559922052 /nfs/dbraw/zinc/92/20/52/559922052.db2.gz OKFACODGSQDKKD-NZSAHSFTSA-N 1 3 357.498 2.247 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437718354 559968479 /nfs/dbraw/zinc/96/84/79/559968479.db2.gz CEYPBTGAYFCWEU-RTBURBONSA-N 1 3 366.550 2.194 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437718354 559968480 /nfs/dbraw/zinc/96/84/80/559968480.db2.gz CEYPBTGAYFCWEU-RTBURBONSA-N 1 3 366.550 2.194 20 0 FEADHO CN(CCNC(=O)C1CC[NH+](CC2(O)CCCC2)CC1)Cc1ccccc1 ZINC000438324654 559977308 /nfs/dbraw/zinc/97/73/08/559977308.db2.gz SBQYGTNZWCPYDK-UHFFFAOYSA-N 1 3 373.541 2.252 20 0 FEADHO C[NH+](C)C1(CNC(=O)CCCN2CCN(c3ccccc3)CC2)CCC1 ZINC000438527164 559980113 /nfs/dbraw/zinc/98/01/13/559980113.db2.gz BSKSRSCEOYWZQQ-UHFFFAOYSA-N 1 3 358.530 2.189 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000439085663 559988225 /nfs/dbraw/zinc/98/82/25/559988225.db2.gz OIFCQAOBAYVVHK-INIZCTEOSA-N 1 3 362.518 2.332 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000439143177 559989025 /nfs/dbraw/zinc/98/90/25/559989025.db2.gz AQBJICWSCWICRC-KRWDZBQOSA-N 1 3 359.518 2.392 20 0 FEADHO C[C@H](NCCCC[NH+]1CCN(CCO)CC1)c1ncc(-c2ccccc2)o1 ZINC000439588404 559997404 /nfs/dbraw/zinc/99/74/04/559997404.db2.gz NXSYXLYLNSTHMP-SFHVURJKSA-N 1 3 372.513 2.382 20 0 FEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000443057364 560068177 /nfs/dbraw/zinc/06/81/77/560068177.db2.gz GLHWBNXIOUVYJB-HNNXBMFYSA-N 1 3 355.429 2.008 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000443071365 560069112 /nfs/dbraw/zinc/06/91/12/560069112.db2.gz MEJMPUPQIUSZST-FQEVSTJZSA-N 1 3 372.557 2.090 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C[C@H]1C ZINC000443367435 560082055 /nfs/dbraw/zinc/08/20/55/560082055.db2.gz WAONJCRUHIIMGY-SJLPKXTDSA-N 1 3 374.529 2.326 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C[C@H]1C ZINC000443367435 560082056 /nfs/dbraw/zinc/08/20/56/560082056.db2.gz WAONJCRUHIIMGY-SJLPKXTDSA-N 1 3 374.529 2.326 20 0 FEADHO CC(C)[C@@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1)N1CCCCC1 ZINC000443812670 560093738 /nfs/dbraw/zinc/09/37/38/560093738.db2.gz YXADUUYDQWLJRO-MOPGFXCFSA-N 1 3 351.535 2.210 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)c1 ZINC000444273292 560107546 /nfs/dbraw/zinc/10/75/46/560107546.db2.gz MSTPKRQAECHTPX-IFMALSPDSA-N 1 3 370.541 2.013 20 0 FEADHO CCn1nnc(C)c1CNCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000449081510 560215062 /nfs/dbraw/zinc/21/50/62/560215062.db2.gz FWVHSPRAKXHMFZ-UHFFFAOYSA-N 1 3 356.518 2.034 20 0 FEADHO CCn1nnc(C)c1CNCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000449201111 560219950 /nfs/dbraw/zinc/21/99/50/560219950.db2.gz GFPSJPNDZYUAQT-UHFFFAOYSA-N 1 3 357.502 2.413 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCCN(CCCO)C2)CC1 ZINC000449396710 560228712 /nfs/dbraw/zinc/22/87/12/560228712.db2.gz MJKYZOAJUYVSES-NRFANRHFSA-N 1 3 374.573 2.155 20 0 FEADHO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000449462205 560231151 /nfs/dbraw/zinc/23/11/51/560231151.db2.gz UVNFVGLLJOVFJI-WIYYLYMNSA-N 1 3 361.530 2.358 20 0 FEADHO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000450965123 560280226 /nfs/dbraw/zinc/28/02/26/560280226.db2.gz USFDCMXYELMDGX-APWZRJJASA-N 1 3 351.535 2.087 20 0 FEADHO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000450965123 560280227 /nfs/dbraw/zinc/28/02/27/560280227.db2.gz USFDCMXYELMDGX-APWZRJJASA-N 1 3 351.535 2.087 20 0 FEADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(C[C@H](O)CC3CCCC3)C2)CC1 ZINC000451532420 560312757 /nfs/dbraw/zinc/31/27/57/560312757.db2.gz TUQADQKWWUDQPM-LEWJYISDSA-N 1 3 365.562 2.194 20 0 FEADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(C[C@H](O)CC3CCCC3)C2)CC1 ZINC000451532420 560312758 /nfs/dbraw/zinc/31/27/58/560312758.db2.gz TUQADQKWWUDQPM-LEWJYISDSA-N 1 3 365.562 2.194 20 0 FEADHO COC1([C@@H](C)[NH2+]CCc2ccc(OCCN(C)C)cc2)CCOCC1 ZINC000453088497 560382925 /nfs/dbraw/zinc/38/29/25/560382925.db2.gz APDRZPMJHSNBHX-QGZVFWFLSA-N 1 3 350.503 2.343 20 0 FEADHO COC1([C@@H](C)[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCOCC1 ZINC000453102257 560383220 /nfs/dbraw/zinc/38/32/20/560383220.db2.gz PIKZFBPYCGWJFP-QGZVFWFLSA-N 1 3 362.514 2.317 20 0 FEADHO O=C(NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)c1ccn[nH]1 ZINC000453202659 560384470 /nfs/dbraw/zinc/38/44/70/560384470.db2.gz YVDDCXUHAFRZQT-NSHGMRRFSA-N 1 3 367.497 2.172 20 0 FEADHO O=C(NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)c1ccn[nH]1 ZINC000453202659 560384471 /nfs/dbraw/zinc/38/44/71/560384471.db2.gz YVDDCXUHAFRZQT-NSHGMRRFSA-N 1 3 367.497 2.172 20 0 FEADHO CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453627899 560391938 /nfs/dbraw/zinc/39/19/38/560391938.db2.gz VYZATHLMSXKKRF-IEBWSBKVSA-N 1 3 374.529 2.267 20 0 FEADHO CC[NH+](CC)[C@@H](CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)Cc1ccccc1 ZINC000454410261 560443368 /nfs/dbraw/zinc/44/33/68/560443368.db2.gz PJEAEYNTVUUGOT-XUVXKRRUSA-N 1 3 358.530 2.285 20 0 FEADHO C[C@@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454770064 560457568 /nfs/dbraw/zinc/45/75/68/560457568.db2.gz NIFNYKFADBJVAM-BTHPGYMESA-N 1 3 356.514 2.243 20 0 FEADHO C[C@@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454770064 560457569 /nfs/dbraw/zinc/45/75/69/560457569.db2.gz NIFNYKFADBJVAM-BTHPGYMESA-N 1 3 356.514 2.243 20 0 FEADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)CN1CCN(C)CC1 ZINC000455929191 560500609 /nfs/dbraw/zinc/50/06/09/560500609.db2.gz OKJYQUFMFHQLTJ-UZLBHIALSA-N 1 3 373.545 2.241 20 0 FEADHO C[N@@H+]1CCC[C@H](CCNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000458171327 560606785 /nfs/dbraw/zinc/60/67/85/560606785.db2.gz PRFZXRJGCVVAGE-LJQANCHMSA-N 1 3 358.530 2.047 20 0 FEADHO C[N@H+]1CCC[C@H](CCNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000458171327 560606786 /nfs/dbraw/zinc/60/67/86/560606786.db2.gz PRFZXRJGCVVAGE-LJQANCHMSA-N 1 3 358.530 2.047 20 0 FEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000458382290 560618955 /nfs/dbraw/zinc/61/89/55/560618955.db2.gz QZDWVHACQAVZCE-QZTJIDSGSA-N 1 3 368.566 2.033 20 0 FEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000458382290 560618957 /nfs/dbraw/zinc/61/89/57/560618957.db2.gz QZDWVHACQAVZCE-QZTJIDSGSA-N 1 3 368.566 2.033 20 0 FEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000458385403 560619427 /nfs/dbraw/zinc/61/94/27/560619427.db2.gz VHVHAIWDENBEOM-QZTJIDSGSA-N 1 3 368.566 2.033 20 0 FEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000458385403 560619428 /nfs/dbraw/zinc/61/94/28/560619428.db2.gz VHVHAIWDENBEOM-QZTJIDSGSA-N 1 3 368.566 2.033 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@H]2CCN(C(C)C)C2)[C@H](C)C1 ZINC000458407533 560620789 /nfs/dbraw/zinc/62/07/89/560620789.db2.gz LFXDHDCDRKTPRB-QYZOEREBSA-N 1 3 368.566 2.248 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)[C@H]2CCN(C(C)C)C2)[C@H](C)C1 ZINC000458407533 560620791 /nfs/dbraw/zinc/62/07/91/560620791.db2.gz LFXDHDCDRKTPRB-QYZOEREBSA-N 1 3 368.566 2.248 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000458591093 560634492 /nfs/dbraw/zinc/63/44/92/560634492.db2.gz XXOUSAXHHSIBGS-AZUAARDMSA-N 1 3 350.551 2.482 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000458591093 560634493 /nfs/dbraw/zinc/63/44/93/560634493.db2.gz XXOUSAXHHSIBGS-AZUAARDMSA-N 1 3 350.551 2.482 20 0 FEADHO CSC1(CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)CCN(C)CC1 ZINC000460882107 560754240 /nfs/dbraw/zinc/75/42/40/560754240.db2.gz KGPOUDFRBORVML-INIZCTEOSA-N 1 3 356.580 2.378 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1csc(C)n1 ZINC000465577489 560868922 /nfs/dbraw/zinc/86/89/22/560868922.db2.gz UPHKYNQTBABVLG-KRWDZBQOSA-N 1 3 367.563 2.052 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1csc(C)n1 ZINC000465577489 560868923 /nfs/dbraw/zinc/86/89/23/560868923.db2.gz UPHKYNQTBABVLG-KRWDZBQOSA-N 1 3 367.563 2.052 20 0 FEADHO COCCN1CC[C@H](NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000465950124 560876961 /nfs/dbraw/zinc/87/69/61/560876961.db2.gz LWBGYXWXVJGKIR-ICSRJNTNSA-N 1 3 374.529 2.013 20 0 FEADHO COCCN1CC[C@H](NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000465950124 560876962 /nfs/dbraw/zinc/87/69/62/560876962.db2.gz LWBGYXWXVJGKIR-ICSRJNTNSA-N 1 3 374.529 2.013 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCc3ccccc3C2=O)[C@@H](C)C1 ZINC000467401000 560909488 /nfs/dbraw/zinc/90/94/88/560909488.db2.gz NFMGAILHRCEDJZ-GHTZIAJQSA-N 1 3 373.541 2.412 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCc3ccccc3C2=O)[C@@H](C)C1 ZINC000467401000 560909489 /nfs/dbraw/zinc/90/94/89/560909489.db2.gz NFMGAILHRCEDJZ-GHTZIAJQSA-N 1 3 373.541 2.412 20 0 FEADHO CC[C@]1(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000467707609 560915305 /nfs/dbraw/zinc/91/53/05/560915305.db2.gz RQICSBICIPXYFT-JOCHJYFZSA-N 1 3 372.557 2.233 20 0 FEADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000468482750 560931162 /nfs/dbraw/zinc/93/11/62/560931162.db2.gz GICASXARIONETD-SBHAEUEKSA-N 1 3 372.557 2.354 20 0 FEADHO [NH3+]CCCOC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000469863236 560967200 /nfs/dbraw/zinc/96/72/00/560967200.db2.gz CCHOBDNORCCTJX-UHFFFAOYSA-N 1 3 372.469 2.178 20 0 FEADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000470015027 560972016 /nfs/dbraw/zinc/97/20/16/560972016.db2.gz JLQXNROJBNSSOV-AWEZNQCLSA-N 1 3 361.877 2.017 20 0 FEADHO C[C@H](C[NH2+]CCCCN1CCN(CCO)CC1)c1cccc(Cl)c1 ZINC000470364151 560979499 /nfs/dbraw/zinc/97/94/99/560979499.db2.gz RPUCNGVYRRDKKC-QGZVFWFLSA-N 1 3 353.938 2.423 20 0 FEADHO CC(C)[N@@H+]1CCC[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000470669360 560987041 /nfs/dbraw/zinc/98/70/41/560987041.db2.gz JXANDMNJGRFOHB-IBGZPJMESA-N 1 3 358.530 2.188 20 0 FEADHO CC(C)[N@H+]1CCC[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000470669360 560987042 /nfs/dbraw/zinc/98/70/42/560987042.db2.gz JXANDMNJGRFOHB-IBGZPJMESA-N 1 3 358.530 2.188 20 0 FEADHO CCCN(CCC[NH+](C)C)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000470681252 560987404 /nfs/dbraw/zinc/98/74/04/560987404.db2.gz XBTCOQXUBCCKTE-UHFFFAOYSA-N 1 3 360.546 2.389 20 0 FEADHO COCCN1CC[C@H](NC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470890536 560992911 /nfs/dbraw/zinc/99/29/11/560992911.db2.gz CMARESFBBNEPKM-PMACEKPBSA-N 1 3 374.529 2.013 20 0 FEADHO COCCN1CC[C@H](NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470890536 560992912 /nfs/dbraw/zinc/99/29/12/560992912.db2.gz CMARESFBBNEPKM-PMACEKPBSA-N 1 3 374.529 2.013 20 0 FEADHO Cc1c([C@H](C)N[C@@H](C)CC[NH+]2CCN(C)CC2)nnn1-c1ccccc1 ZINC000471585947 561007920 /nfs/dbraw/zinc/00/79/20/561007920.db2.gz BDXLZYYAHLQJSD-IRXDYDNUSA-N 1 3 356.518 2.252 20 0 FEADHO C[C@@H]1CCCN(CCNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000471611692 561008675 /nfs/dbraw/zinc/00/86/75/561008675.db2.gz CWHBZXQXCRUOKO-NRSPTQNISA-N 1 3 370.541 2.492 20 0 FEADHO C[C@@H]1CCCN(CCNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000471611692 561008676 /nfs/dbraw/zinc/00/86/76/561008676.db2.gz CWHBZXQXCRUOKO-NRSPTQNISA-N 1 3 370.541 2.492 20 0 FEADHO Cc1nn(-c2ccncc2)cc1C[NH2+]C(C)(C)CCN1CCN(C)CC1 ZINC000472137291 561019187 /nfs/dbraw/zinc/01/91/87/561019187.db2.gz XLZHRHBMLOIOPD-UHFFFAOYSA-N 1 3 356.518 2.081 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CCC[N@H+](C)[C@H]3C)c2)CC1 ZINC000473838339 561058566 /nfs/dbraw/zinc/05/85/66/561058566.db2.gz WUXXABUPLVHIQS-LPHOPBHVSA-N 1 3 359.518 2.433 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CCC[N@@H+](C)[C@H]3C)c2)CC1 ZINC000473838339 561058567 /nfs/dbraw/zinc/05/85/67/561058567.db2.gz WUXXABUPLVHIQS-LPHOPBHVSA-N 1 3 359.518 2.433 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cnnc2ccccc21 ZINC000528338041 562323531 /nfs/dbraw/zinc/32/35/31/562323531.db2.gz UIYZIWXMNZXVNV-MRXNPFEDSA-N 1 3 355.486 2.118 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cnnc2ccccc21 ZINC000528338041 562323532 /nfs/dbraw/zinc/32/35/32/562323532.db2.gz UIYZIWXMNZXVNV-MRXNPFEDSA-N 1 3 355.486 2.118 20 0 FEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC000529312178 562368648 /nfs/dbraw/zinc/36/86/48/562368648.db2.gz ZDMJDABNGUHQNX-MRXNPFEDSA-N 1 3 360.502 2.019 20 0 FEADHO CCN(CCC[NH+](CC)CC)C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000530363956 562408351 /nfs/dbraw/zinc/40/83/51/562408351.db2.gz ULCPPEPXUPWUEA-OAQYLSRUSA-N 1 3 361.530 2.204 20 0 FEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000531003632 562431541 /nfs/dbraw/zinc/43/15/41/562431541.db2.gz DAXVJIWTASPXSF-GOSISDBHSA-N 1 3 362.518 2.157 20 0 FEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000531003632 562431542 /nfs/dbraw/zinc/43/15/42/562431542.db2.gz DAXVJIWTASPXSF-GOSISDBHSA-N 1 3 362.518 2.157 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000531357581 562443204 /nfs/dbraw/zinc/44/32/04/562443204.db2.gz DSOFWUQHWCLNRD-UHFFFAOYSA-N 1 3 361.408 2.193 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCN2CCO[C@@H](C)C2)CC1 ZINC000531532226 562448792 /nfs/dbraw/zinc/44/87/92/562448792.db2.gz OVLDNISDKNXMDE-IBGZPJMESA-N 1 3 360.546 2.029 20 0 FEADHO CCC[NH+]1CCN(c2ccccc2CN[C@H]2CC(=O)N(C(C)C)C2)CC1 ZINC000531530985 562448811 /nfs/dbraw/zinc/44/88/11/562448811.db2.gz CNAGSJQMCQRLDH-IBGZPJMESA-N 1 3 358.530 2.318 20 0 FEADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000533639476 562515218 /nfs/dbraw/zinc/51/52/18/562515218.db2.gz FYPCTCBKSBIEHA-MISYRCLQSA-N 1 3 359.514 2.331 20 0 FEADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000533639476 562515219 /nfs/dbraw/zinc/51/52/19/562515219.db2.gz FYPCTCBKSBIEHA-MISYRCLQSA-N 1 3 359.514 2.331 20 0 FEADHO C[NH+](C)Cc1ccc(CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000536513604 562577395 /nfs/dbraw/zinc/57/73/95/562577395.db2.gz CCZLFJMSRAUMBA-QFIPXVFZSA-N 1 3 367.493 2.001 20 0 FEADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000536532868 562578107 /nfs/dbraw/zinc/57/81/07/562578107.db2.gz FNWGESNPFHGKQR-IFMALSPDSA-N 1 3 374.573 2.066 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)CC[S@](C)=O)CC1 ZINC000537324260 562589610 /nfs/dbraw/zinc/58/96/10/562589610.db2.gz UTPYXRIRTUIGLP-XDHUDOTRSA-N 1 3 351.560 2.465 20 0 FEADHO C(N1CCC[C@@H]2COCC[C@@H]21)C1(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)COC1 ZINC000541070488 562601992 /nfs/dbraw/zinc/60/19/92/562601992.db2.gz IVOJUPXTTREOJF-ZRNYENFQSA-N 1 3 364.530 2.005 20 0 FEADHO C(N1CCC[C@@H]2COCC[C@@H]21)C1(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)COC1 ZINC000541070488 562601993 /nfs/dbraw/zinc/60/19/93/562601993.db2.gz IVOJUPXTTREOJF-ZRNYENFQSA-N 1 3 364.530 2.005 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000806595311 674382497 /nfs/dbraw/zinc/38/24/97/674382497.db2.gz ULFDXPGTDQKZQO-IRXDYDNUSA-N 1 3 352.523 2.377 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000806595311 674382498 /nfs/dbraw/zinc/38/24/98/674382498.db2.gz ULFDXPGTDQKZQO-IRXDYDNUSA-N 1 3 352.523 2.377 20 0 FEADHO CCOC(=O)c1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[nH]1 ZINC000602690831 568015206 /nfs/dbraw/zinc/01/52/06/568015206.db2.gz POZBPMMMELYTMH-UHFFFAOYSA-N 1 3 371.481 2.308 20 0 FEADHO C[C@@H]([NH2+]C1(CNC(=O)N[C@H]2CCCN(C)C2)CCOCC1)c1ccccc1 ZINC000603593636 568121584 /nfs/dbraw/zinc/12/15/84/568121584.db2.gz SXGQSLVIMIXRLB-MJGOQNOKSA-N 1 3 374.529 2.280 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000557347390 674446184 /nfs/dbraw/zinc/44/61/84/674446184.db2.gz GVZPLIRHKRSBJE-ZWKOTPCHSA-N 1 3 351.516 2.043 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825576343 609150131 /nfs/dbraw/zinc/15/01/31/609150131.db2.gz DVLUDCKPXSISNW-OCCSQVGLSA-N 1 3 350.442 2.013 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825576343 609150133 /nfs/dbraw/zinc/15/01/33/609150133.db2.gz DVLUDCKPXSISNW-OCCSQVGLSA-N 1 3 350.442 2.013 20 0 FEADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000560515454 674596937 /nfs/dbraw/zinc/59/69/37/674596937.db2.gz SNBBDYOBOULXMU-ULQDDVLXSA-N 1 3 371.934 2.081 20 0 FEADHO CC[C@H](NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCCC[NH2+]1 ZINC000562956767 674827276 /nfs/dbraw/zinc/82/72/76/674827276.db2.gz FPIYZOLXQXLHLY-JYJNAYRXSA-N 1 3 371.572 2.269 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC(CC[NH3+])CC2)cc1F ZINC000563275970 674867538 /nfs/dbraw/zinc/86/75/38/674867538.db2.gz RLTUHLJXWLNWLT-CQSZACIVSA-N 1 3 351.466 2.242 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](OC)C[C@H]3C)CC2)CC1 ZINC000565370839 675115475 /nfs/dbraw/zinc/11/54/75/675115475.db2.gz AAKGRAVTBSXXLZ-APWZRJJASA-N 1 3 351.535 2.209 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000565607572 675136231 /nfs/dbraw/zinc/13/62/31/675136231.db2.gz JWSDTQLTZPQNFV-SCTDSRPQSA-N 1 3 351.535 2.114 20 0 FEADHO COc1ccc(Cl)cc1CNC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000581251689 671878546 /nfs/dbraw/zinc/87/85/46/671878546.db2.gz CWIWOBIQNRAMFT-HUUCEWRRSA-N 1 3 365.905 2.286 20 0 FEADHO CC[NH+]1CCC(CNC(=O)N(CCN(C)C)Cc2ccc(C)o2)CC1 ZINC000581836623 671940315 /nfs/dbraw/zinc/94/03/15/671940315.db2.gz FZLPETBKRGUOQA-UHFFFAOYSA-N 1 3 350.507 2.393 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582535500 672010914 /nfs/dbraw/zinc/01/09/14/672010914.db2.gz IGNLLFUTZBHPOC-GOSISDBHSA-N 1 3 366.575 2.133 20 0 FEADHO CS(=O)(=O)Nc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000583988694 672144988 /nfs/dbraw/zinc/14/49/88/672144988.db2.gz SQNOWSXQOYKVNI-FGTMMUONSA-N 1 3 351.516 2.459 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)N(C)C)cc1 ZINC000612982159 676105169 /nfs/dbraw/zinc/10/51/69/676105169.db2.gz IDIYDZSKWKEFSH-IAGOWNOFSA-N 1 3 362.543 2.453 20 0 FEADHO COC(=O)c1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)n(C)c1C ZINC000462785449 673282804 /nfs/dbraw/zinc/28/28/04/673282804.db2.gz MWAWSXZJAYBYQW-GASCZTMLSA-N 1 3 351.491 2.099 20 0 FEADHO C[C@@H]1CN(CCOC2CCN(CCC[NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000539150396 673476829 /nfs/dbraw/zinc/47/68/29/673476829.db2.gz WALKWOYPTNKTPN-RTBURBONSA-N 1 3 353.551 2.063 20 0 FEADHO CS[C@H]1CC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000743590423 673764597 /nfs/dbraw/zinc/76/45/97/673764597.db2.gz SHJVETHHAAICSL-RDJZCZTQSA-N 1 3 354.564 2.128 20 0 FEADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819003246 675251596 /nfs/dbraw/zinc/25/15/96/675251596.db2.gz CAFOPPRDGJAWIX-WBMJQRKESA-N 1 3 374.312 2.204 20 0 FEADHO C[NH+](C)CC1CN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000615506879 676217411 /nfs/dbraw/zinc/21/74/11/676217411.db2.gz QOMBWCFEVDBJIF-KRWDZBQOSA-N 1 3 351.441 2.164 20 0 FEADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)COc2ccccc2Cl)CCCO1 ZINC000567700079 675314174 /nfs/dbraw/zinc/31/41/74/675314174.db2.gz DYNJJFJBCCYXLG-JKSUJKDBSA-N 1 3 356.894 2.170 20 0 FEADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccccc2Cl)CCCO1 ZINC000567700079 675314178 /nfs/dbraw/zinc/31/41/78/675314178.db2.gz DYNJJFJBCCYXLG-JKSUJKDBSA-N 1 3 356.894 2.170 20 0 FEADHO C[NH+]1CCC(O)(CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000608384208 675889821 /nfs/dbraw/zinc/88/98/21/675889821.db2.gz JQEPUVCLTSBDRY-KRWDZBQOSA-N 1 3 368.905 2.444 20 0 FEADHO Cc1cc(Br)oc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504642 676289034 /nfs/dbraw/zinc/28/90/34/676289034.db2.gz CWQOVVDYSLDWRE-LBPRGKRZSA-N 1 3 360.296 2.352 20 0 FEADHO Cc1cc(Br)oc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504642 676289036 /nfs/dbraw/zinc/28/90/36/676289036.db2.gz CWQOVVDYSLDWRE-LBPRGKRZSA-N 1 3 360.296 2.352 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(Cc2ccsc2)C1 ZINC000621531828 676463329 /nfs/dbraw/zinc/46/33/29/676463329.db2.gz JTNOWMBBFCVKAD-HNNXBMFYSA-N 1 3 352.548 2.204 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(Cc2ccsc2)C1 ZINC000621531828 676463330 /nfs/dbraw/zinc/46/33/30/676463330.db2.gz JTNOWMBBFCVKAD-HNNXBMFYSA-N 1 3 352.548 2.204 20 0 FEADHO CN(C)C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000632922894 677021802 /nfs/dbraw/zinc/02/18/02/677021802.db2.gz LDDRDBVLIFUKIU-QGZVFWFLSA-N 1 3 363.893 2.131 20 0 FEADHO Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)C2)cc1 ZINC000632952989 677023185 /nfs/dbraw/zinc/02/31/85/677023185.db2.gz NBKVIDIDIHGZIB-HUUCEWRRSA-N 1 3 358.408 2.148 20 0 FEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccsc1 ZINC000635278283 677094519 /nfs/dbraw/zinc/09/45/19/677094519.db2.gz LSNHKWNCGXVVDX-BBWFWOEESA-N 1 3 351.516 2.110 20 0 FEADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccsc1 ZINC000635278283 677094520 /nfs/dbraw/zinc/09/45/20/677094520.db2.gz LSNHKWNCGXVVDX-BBWFWOEESA-N 1 3 351.516 2.110 20 0 FEADHO CC[NH+](CC)Cc1cccc(CNCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000638381367 677144312 /nfs/dbraw/zinc/14/43/12/677144312.db2.gz KYMUGVHDVOZOCG-UHFFFAOYSA-N 1 3 361.511 2.466 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000638730341 677149451 /nfs/dbraw/zinc/14/94/51/677149451.db2.gz YHCUECWCGANBAS-QGZVFWFLSA-N 1 3 351.535 2.116 20 0 FEADHO CC(C)[NH+]1CCC(O)(CNCc2ccccc2OCCCCO)CC1 ZINC000638739344 677149487 /nfs/dbraw/zinc/14/94/87/677149487.db2.gz SAMXLULPJBDSCI-UHFFFAOYSA-N 1 3 350.503 2.163 20 0 FEADHO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Nc1ccnn1CCN(C)C ZINC000640170416 677174574 /nfs/dbraw/zinc/17/45/74/677174574.db2.gz BFUBMDGMNKXSQZ-HOTGVXAUSA-N 1 3 350.511 2.029 20 0 FEADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000648869732 677321983 /nfs/dbraw/zinc/32/19/83/677321983.db2.gz AZXFMXNAWCQUSR-OWCLPIDISA-N 1 3 350.532 2.072 20 0 FEADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000648869732 677321984 /nfs/dbraw/zinc/32/19/84/677321984.db2.gz AZXFMXNAWCQUSR-OWCLPIDISA-N 1 3 350.532 2.072 20 0 FEADHO CN(CCN1CC[NH2+]CC1)Cc1cc(Br)cc2cccnc21 ZINC000649409788 677330687 /nfs/dbraw/zinc/33/06/87/677330687.db2.gz ZFDCWCVJBFBIJZ-UHFFFAOYSA-N 1 3 363.303 2.334 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NCCC2(C[NH3+])CC2)N(C)C)cc1 ZINC000652196532 677475606 /nfs/dbraw/zinc/47/56/06/677475606.db2.gz WSRDSCXMVJEZBH-MRXNPFEDSA-N 1 3 350.532 2.439 20 0 FEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1scc2c1OCCO2 ZINC000654679508 677595644 /nfs/dbraw/zinc/59/56/44/677595644.db2.gz XBGBDHMAXMAAJE-AWEZNQCLSA-N 1 3 367.515 2.007 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)COCC3CC3)CC2)CC1 ZINC000655167987 677626863 /nfs/dbraw/zinc/62/68/63/677626863.db2.gz ZOTLVMKCWPYNEU-MRXNPFEDSA-N 1 3 351.535 2.114 20 0 FEADHO N[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC[C@H]1F ZINC000658990356 678143050 /nfs/dbraw/zinc/14/30/50/678143050.db2.gz QJGDEZXALQCPMM-IAGOWNOFSA-N 1 3 366.506 2.181 20 0 FEADHO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H](N)COC(C)C ZINC000659285687 678161948 /nfs/dbraw/zinc/16/19/48/678161948.db2.gz QROJPLHJDZDYTM-INIZCTEOSA-N 1 3 351.516 2.235 20 0 FEADHO CCc1ncc(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000663510918 678749113 /nfs/dbraw/zinc/74/91/13/678749113.db2.gz IEYPALQSTDZHNG-AWEZNQCLSA-N 1 3 360.531 2.218 20 0 FEADHO Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)on1 ZINC000665639114 678974604 /nfs/dbraw/zinc/97/46/04/678974604.db2.gz MQBVUVUCIQXKMD-HOTGVXAUSA-N 1 3 351.495 2.102 20 0 FEADHO Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)on1 ZINC000665639114 678974606 /nfs/dbraw/zinc/97/46/06/678974606.db2.gz MQBVUVUCIQXKMD-HOTGVXAUSA-N 1 3 351.495 2.102 20 0 FEADHO Cc1cc([C@H]2CCCN2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)on1 ZINC000665639115 678974647 /nfs/dbraw/zinc/97/46/47/678974647.db2.gz MQBVUVUCIQXKMD-JKSUJKDBSA-N 1 3 351.495 2.102 20 0 FEADHO Cc1cc([C@H]2CCCN2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)on1 ZINC000665639115 678974649 /nfs/dbraw/zinc/97/46/49/678974649.db2.gz MQBVUVUCIQXKMD-JKSUJKDBSA-N 1 3 351.495 2.102 20 0 FEADHO COc1cc(F)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1F ZINC000666324135 679015741 /nfs/dbraw/zinc/01/57/41/679015741.db2.gz MYNSCTWZGSAVOH-LBPRGKRZSA-N 1 3 358.433 2.367 20 0 FEADHO COc1cc(F)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1F ZINC000666324135 679015742 /nfs/dbraw/zinc/01/57/42/679015742.db2.gz MYNSCTWZGSAVOH-LBPRGKRZSA-N 1 3 358.433 2.367 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000669592672 679244406 /nfs/dbraw/zinc/24/44/06/679244406.db2.gz CXYKTGXROSWAKB-WBVHZDCISA-N 1 3 350.532 2.453 20 0 FEADHO C[NH+](C)CCn1cc(NC(=O)N2CCN(CCC(C)(C)C)CC2)cn1 ZINC000673867218 679451643 /nfs/dbraw/zinc/45/16/43/679451643.db2.gz KNZYLFATTCNVLX-UHFFFAOYSA-N 1 3 350.511 2.030 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3cc(F)cc(F)c3)C2)CC[N@@H+]1C ZINC001018870217 680084349 /nfs/dbraw/zinc/08/43/49/680084349.db2.gz IXDYFQJEZOBUCN-OKZBNKHCSA-N 1 3 351.441 2.386 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3cc(F)cc(F)c3)C2)CC[N@H+]1C ZINC001018870217 680084355 /nfs/dbraw/zinc/08/43/55/680084355.db2.gz IXDYFQJEZOBUCN-OKZBNKHCSA-N 1 3 351.441 2.386 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cccc(Cl)c4)C[C@H]32)CC[N@@H+]1C ZINC000978182356 680171164 /nfs/dbraw/zinc/17/11/64/680171164.db2.gz QMHDCVQHSWEBCM-PYJZQUQOSA-N 1 3 361.917 2.474 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cccc(Cl)c4)C[C@H]32)CC[N@H+]1C ZINC000978182356 680171168 /nfs/dbraw/zinc/17/11/68/680171168.db2.gz QMHDCVQHSWEBCM-PYJZQUQOSA-N 1 3 361.917 2.474 20 0 FEADHO Cc1nc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001023990768 680276641 /nfs/dbraw/zinc/27/66/41/680276641.db2.gz GFXPJPAMAWSPTE-UKPHBRMFSA-N 1 3 350.532 2.120 20 0 FEADHO Cc1nc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001023990768 680276642 /nfs/dbraw/zinc/27/66/42/680276642.db2.gz GFXPJPAMAWSPTE-UKPHBRMFSA-N 1 3 350.532 2.120 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3cc(F)ccc3F)C2)CC[N@@H+]1C ZINC000983704634 680322592 /nfs/dbraw/zinc/32/25/92/680322592.db2.gz LIMPZACRBOCPLA-BQGCOEIASA-N 1 3 351.441 2.289 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3cc(F)ccc3F)C2)CC[N@H+]1C ZINC000983704634 680322597 /nfs/dbraw/zinc/32/25/97/680322597.db2.gz LIMPZACRBOCPLA-BQGCOEIASA-N 1 3 351.441 2.289 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNCc3csc(C4CC4)n3)C2)CC[N@@H+]1C ZINC001026851909 680350683 /nfs/dbraw/zinc/35/06/83/680350683.db2.gz JCUAPLHFBIQTKF-JKIFEVAISA-N 1 3 362.543 2.299 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CNCc3csc(C4CC4)n3)C2)CC[N@H+]1C ZINC001026851909 680350687 /nfs/dbraw/zinc/35/06/87/680350687.db2.gz JCUAPLHFBIQTKF-JKIFEVAISA-N 1 3 362.543 2.299 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)Cc3cccc(Cl)n3)CC2)CC[N@@H+]1C ZINC000985441439 680448687 /nfs/dbraw/zinc/44/86/87/680448687.db2.gz IKYRBLCSSWHNJN-RHSMWYFYSA-N 1 3 364.921 2.498 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)Cc3cccc(Cl)n3)CC2)CC[N@H+]1C ZINC000985441439 680448690 /nfs/dbraw/zinc/44/86/90/680448690.db2.gz IKYRBLCSSWHNJN-RHSMWYFYSA-N 1 3 364.921 2.498 20 0 FEADHO CC(C)(C(=O)NCC1CC[NH+](C2CCOCC2)CC1)N1CCCCC1 ZINC000912287330 685346644 /nfs/dbraw/zinc/34/66/44/685346644.db2.gz QAOAVGHUNYGJNB-UHFFFAOYSA-N 1 3 351.535 2.258 20 0 FEADHO Cc1nc(C)c(CN2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC001002851865 680510501 /nfs/dbraw/zinc/51/05/01/680510501.db2.gz KIEHHKXRUNUIFK-CZUORRHYSA-N 1 3 350.532 2.181 20 0 FEADHO Cc1nc(C)c(CN2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC001002851865 680510507 /nfs/dbraw/zinc/51/05/07/680510507.db2.gz KIEHHKXRUNUIFK-CZUORRHYSA-N 1 3 350.532 2.181 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(Cl)n1 ZINC000841857530 680915098 /nfs/dbraw/zinc/91/50/98/680915098.db2.gz UMQOSRCGZIQDCN-OFQRWUPVSA-N 1 3 350.894 2.281 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)cc2)CC1 ZINC000844191344 681043932 /nfs/dbraw/zinc/04/39/32/681043932.db2.gz MKTCFKHHMPUMHU-INIZCTEOSA-N 1 3 352.429 2.012 20 0 FEADHO CN(C[C@](C)(O)C[N@H+](C)CC[C@@H]1CCCCN1C)C(=O)OC(C)(C)C ZINC000844301309 681049434 /nfs/dbraw/zinc/04/94/34/681049434.db2.gz VHMJCBZXOFXFMF-QFBILLFUSA-N 1 3 357.539 2.411 20 0 FEADHO CN(C[C@](C)(O)C[N@@H+](C)CC[C@@H]1CCCCN1C)C(=O)OC(C)(C)C ZINC000844301309 681049435 /nfs/dbraw/zinc/04/94/35/681049435.db2.gz VHMJCBZXOFXFMF-QFBILLFUSA-N 1 3 357.539 2.411 20 0 FEADHO CN(C[C@@H]1CCC[N@H+](C)C1)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846805637 681291869 /nfs/dbraw/zinc/29/18/69/681291869.db2.gz DYZDSVRXNUTXCJ-VQIMIIECSA-N 1 3 355.523 2.022 20 0 FEADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846805637 681291871 /nfs/dbraw/zinc/29/18/71/681291871.db2.gz DYZDSVRXNUTXCJ-VQIMIIECSA-N 1 3 355.523 2.022 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC3SCCS3)CC2)CC1 ZINC000852058913 682211563 /nfs/dbraw/zinc/21/15/63/682211563.db2.gz PYLGNNBILLEOQC-UHFFFAOYSA-N 1 3 372.604 2.040 20 0 FEADHO CSC[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603911 682794232 /nfs/dbraw/zinc/79/42/32/682794232.db2.gz HAWGYCWGUPXDRS-WMZOPIPTSA-N 1 3 353.532 2.099 20 0 FEADHO CSC[C@@H](O)C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856603911 682794235 /nfs/dbraw/zinc/79/42/35/682794235.db2.gz HAWGYCWGUPXDRS-WMZOPIPTSA-N 1 3 353.532 2.099 20 0 FEADHO OCC[NH+]1CCC(N[C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000925833933 683042166 /nfs/dbraw/zinc/04/21/66/683042166.db2.gz ZVLSJBKNMDWLBM-MRXNPFEDSA-N 1 3 354.292 2.268 20 0 FEADHO CC(C)N(C)C[C@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000931185021 683848554 /nfs/dbraw/zinc/84/85/54/683848554.db2.gz IFRLAIKDBLKLKX-CVEARBPZSA-N 1 3 355.523 2.209 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866813926 684158645 /nfs/dbraw/zinc/15/86/45/684158645.db2.gz GPSXICKZCOSZGQ-GOSISDBHSA-N 1 3 353.532 2.134 20 0 FEADHO O[C@H](CN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)CC(F)(F)F ZINC000923397304 684275030 /nfs/dbraw/zinc/27/50/30/684275030.db2.gz KXJWUOVQIKPQDW-AWEZNQCLSA-N 1 3 360.424 2.369 20 0 FEADHO O[C@H](CN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)CC(F)(F)F ZINC000923397304 684275033 /nfs/dbraw/zinc/27/50/33/684275033.db2.gz KXJWUOVQIKPQDW-AWEZNQCLSA-N 1 3 360.424 2.369 20 0 FEADHO O[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)COc1ccc(F)c(F)c1 ZINC000925499619 684566409 /nfs/dbraw/zinc/56/64/09/684566409.db2.gz RLEWWFAAJCQBIH-SIXWZSSISA-N 1 3 354.441 2.462 20 0 FEADHO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925612537 684574023 /nfs/dbraw/zinc/57/40/23/684574023.db2.gz SJWXRVGUEHASPL-OALUTQOASA-N 1 3 371.591 2.195 20 0 FEADHO [NH3+]CCC[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccccc1 ZINC000925650458 684576184 /nfs/dbraw/zinc/57/61/84/684576184.db2.gz OPUTVZYIIYETKE-LJQANCHMSA-N 1 3 362.495 2.022 20 0 FEADHO CC(C)(C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)[C@H]1COCC12OCCO2 ZINC000925684736 684578409 /nfs/dbraw/zinc/57/84/09/684578409.db2.gz CRYLMYWHYSQLQG-KZNAEPCWSA-N 1 3 352.519 2.160 20 0 FEADHO C[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000925787237 684585501 /nfs/dbraw/zinc/58/55/01/684585501.db2.gz ZHPYDVPRDPRTGF-SZMVWBNQSA-N 1 3 353.457 2.110 20 0 FEADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000925787237 684585502 /nfs/dbraw/zinc/58/55/02/684585502.db2.gz ZHPYDVPRDPRTGF-SZMVWBNQSA-N 1 3 353.457 2.110 20 0 FEADHO CN1CCN(c2cc[nH+]c(NC(=O)C(F)(F)c3nccs3)c2)CC1 ZINC000870666247 684742611 /nfs/dbraw/zinc/74/26/11/684742611.db2.gz AMRUMUIKFBLUSZ-UHFFFAOYSA-N 1 3 353.398 2.020 20 0 FEADHO C[C@H](CNC(=O)c1csc(C2CC[NH2+]CC2)n1)N1CCC(C)CC1 ZINC000870875026 684765392 /nfs/dbraw/zinc/76/53/92/684765392.db2.gz SYYYUQUIOXYERX-CQSZACIVSA-N 1 3 350.532 2.460 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876110961 686133299 /nfs/dbraw/zinc/13/32/99/686133299.db2.gz SQTMEMRNAXSBRX-TVRKMHQQSA-N 1 3 354.539 2.002 20 0 FEADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000876793699 686269675 /nfs/dbraw/zinc/26/96/75/686269675.db2.gz HJNZXXJWSXABKS-UHFFFAOYSA-N 1 3 357.483 2.212 20 0 FEADHO C(N1CC[C@H]2CSC[C@@H]2C1)C1(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)COC1 ZINC000879562854 686857457 /nfs/dbraw/zinc/85/74/57/686857457.db2.gz MZKJBTZHNLGANU-MHORFTMASA-N 1 3 368.612 2.373 20 0 FEADHO C(N1CC[C@H]2CSC[C@@H]2C1)C1(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)COC1 ZINC000879562854 686857467 /nfs/dbraw/zinc/85/74/67/686857467.db2.gz MZKJBTZHNLGANU-MHORFTMASA-N 1 3 368.612 2.373 20 0 FEADHO C(N1CC[C@@H]2CSC[C@@H]2C1)C1(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)COC1 ZINC000879562854 686857474 /nfs/dbraw/zinc/85/74/74/686857474.db2.gz MZKJBTZHNLGANU-MHORFTMASA-N 1 3 368.612 2.373 20 0 FEADHO C(N1CC[C@@H]2CSC[C@@H]2C1)C1(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)COC1 ZINC000879562854 686857480 /nfs/dbraw/zinc/85/74/80/686857480.db2.gz MZKJBTZHNLGANU-MHORFTMASA-N 1 3 368.612 2.373 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)N(C)C)cc1 ZINC000891923235 689127109 /nfs/dbraw/zinc/12/71/09/689127109.db2.gz XVVMGNPCNATFRX-KVSKMBFKSA-N 1 3 362.543 2.262 20 0 FEADHO CCO/C=C\[C@@](O)(C[NH2+]Cc1ccnn1-c1ccncc1)C(F)(F)F ZINC000895715437 689760595 /nfs/dbraw/zinc/76/05/95/689760595.db2.gz CEFRNSXXQAHSQC-IZIDJEDMSA-N 1 3 356.348 2.201 20 0 FEADHO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000897650827 690056692 /nfs/dbraw/zinc/05/66/92/690056692.db2.gz UIYFGUFPMYYRJY-IAGOWNOFSA-N 1 3 353.507 2.085 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccns3)CC2)CC1 ZINC000898619578 690219218 /nfs/dbraw/zinc/21/92/18/690219218.db2.gz YAVZLNRTBXBLNI-UHFFFAOYSA-N 1 3 350.532 2.298 20 0 FEADHO FC(F)(F)c1ccnc([C@@H]2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903827926 690976015 /nfs/dbraw/zinc/97/60/15/690976015.db2.gz ZTFORTVCKNEJBF-WWGRRREGSA-N 1 3 356.392 2.053 20 0 FEADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccc(OC)c(OC)c1Cl)C2 ZINC000903979171 690991615 /nfs/dbraw/zinc/99/16/15/690991615.db2.gz XLOXTQABMBQGRX-JCGVRSQUSA-N 1 3 368.861 2.070 20 0 FEADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cc(Cl)cc2c1OCC2 ZINC000904444643 691028738 /nfs/dbraw/zinc/02/87/38/691028738.db2.gz RHEGOJMITNJTKJ-OLZOCXBDSA-N 1 3 351.878 2.123 20 0 FEADHO Cc1[nH+]c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc2[nH]ccc21 ZINC001164743974 720746356 /nfs/dbraw/zinc/74/63/56/720746356.db2.gz QSNHVXBXQMUABL-HUUCEWRRSA-N 1 3 350.426 2.003 20 0 FEADHO C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)N1CCCC1 ZINC000041599192 540026562 /nfs/dbraw/zinc/02/65/62/540026562.db2.gz DVQWKVFKBAZXBR-KRWDZBQOSA-N 1 3 372.513 2.212 20 0 FEADHO CC(C)[C@@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)N1CCN(C)CC1 ZINC000044277184 540122101 /nfs/dbraw/zinc/12/21/01/540122101.db2.gz IUEBWEZKGIMCBC-LJQANCHMSA-N 1 3 361.534 2.142 20 0 FEADHO Cc1ccccc1NCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050799127 540414266 /nfs/dbraw/zinc/41/42/66/540414266.db2.gz NBIVWOUOABLRPG-UHFFFAOYSA-N 1 3 358.530 2.472 20 0 FEADHO C[C@H](Oc1ccc(F)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050802845 540415493 /nfs/dbraw/zinc/41/54/93/540415493.db2.gz XXDXGVLMYBQAAY-HNNXBMFYSA-N 1 3 363.477 2.268 20 0 FEADHO Cc1ccsc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051267834 540428284 /nfs/dbraw/zinc/42/82/84/540428284.db2.gz VSMHCCAWABWDHI-UHFFFAOYSA-N 1 3 350.532 2.414 20 0 FEADHO CC[NH+](CC)CCOC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000072694629 541852628 /nfs/dbraw/zinc/85/26/28/541852628.db2.gz PJDGVPBWRKFBEF-UHFFFAOYSA-N 1 3 372.513 2.288 20 0 FEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000073717080 541991758 /nfs/dbraw/zinc/99/17/58/541991758.db2.gz NWGSXWHZNUVPFG-AZUAARDMSA-N 1 3 356.514 2.387 20 0 FEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000073717080 541991762 /nfs/dbraw/zinc/99/17/62/541991762.db2.gz NWGSXWHZNUVPFG-AZUAARDMSA-N 1 3 356.514 2.387 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)C[C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000073728519 541993291 /nfs/dbraw/zinc/99/32/91/541993291.db2.gz YCJQEUNXPYBSRA-FQEVSTJZSA-N 1 3 372.557 2.307 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000073728519 541993294 /nfs/dbraw/zinc/99/32/94/541993294.db2.gz YCJQEUNXPYBSRA-FQEVSTJZSA-N 1 3 372.557 2.307 20 0 FEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000073822223 542004214 /nfs/dbraw/zinc/00/42/14/542004214.db2.gz KBXCJJCZLVIKLZ-ROUUACIJSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000073822223 542004218 /nfs/dbraw/zinc/00/42/18/542004218.db2.gz KBXCJJCZLVIKLZ-ROUUACIJSA-N 1 3 368.566 2.249 20 0 FEADHO CCN1CCN(CCC(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)CC1 ZINC000073880310 542009848 /nfs/dbraw/zinc/00/98/48/542009848.db2.gz NPJJUVYLTFRICX-UHFFFAOYSA-N 1 3 371.529 2.169 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nc(C)c(C)s1 ZINC000074919013 542136216 /nfs/dbraw/zinc/13/62/16/542136216.db2.gz OYCJZVATQHDPHM-MRXNPFEDSA-N 1 3 367.563 2.317 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nc(C)c(C)s1 ZINC000074919013 542136221 /nfs/dbraw/zinc/13/62/21/542136221.db2.gz OYCJZVATQHDPHM-MRXNPFEDSA-N 1 3 367.563 2.317 20 0 FEADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000075158519 542155667 /nfs/dbraw/zinc/15/56/67/542155667.db2.gz WFYLMRBEFRQJBC-LJQANCHMSA-N 1 3 361.534 2.315 20 0 FEADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000075158519 542155668 /nfs/dbraw/zinc/15/56/68/542155668.db2.gz WFYLMRBEFRQJBC-LJQANCHMSA-N 1 3 361.534 2.315 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000079221338 542507540 /nfs/dbraw/zinc/50/75/40/542507540.db2.gz CLEZSJANXMADGS-WOJBJXKFSA-N 1 3 358.530 2.429 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000080999406 542623300 /nfs/dbraw/zinc/62/33/00/542623300.db2.gz RVLYKPMVLVIYOO-LEWJYISDSA-N 1 3 370.541 2.250 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000080999406 542623305 /nfs/dbraw/zinc/62/33/05/542623305.db2.gz RVLYKPMVLVIYOO-LEWJYISDSA-N 1 3 370.541 2.250 20 0 FEADHO CC[NH+](CC)CCSCC(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000081043513 542627138 /nfs/dbraw/zinc/62/71/38/542627138.db2.gz UBRMIXVUCOOEMB-UHFFFAOYSA-N 1 3 371.591 2.213 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCCC[C@H]2CC(N)=O)CC1 ZINC000092588653 542873724 /nfs/dbraw/zinc/87/37/24/542873724.db2.gz ONYHUEKWPMWTLW-IBGZPJMESA-N 1 3 358.530 2.449 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@H+]2CCCC[C@H]2CC(N)=O)CC1 ZINC000092588653 542873728 /nfs/dbraw/zinc/87/37/28/542873728.db2.gz ONYHUEKWPMWTLW-IBGZPJMESA-N 1 3 358.530 2.449 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093124953 542909450 /nfs/dbraw/zinc/90/94/50/542909450.db2.gz BNRGOYKEYJPCPN-LJQANCHMSA-N 1 3 359.518 2.472 20 0 FEADHO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000104143291 543124821 /nfs/dbraw/zinc/12/48/21/543124821.db2.gz BHQZJBYRVICHRP-NHCUHLMSSA-N 1 3 372.557 2.356 20 0 FEADHO CC[N@H+]1CCCC[C@@H]1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000104143291 543124822 /nfs/dbraw/zinc/12/48/22/543124822.db2.gz BHQZJBYRVICHRP-NHCUHLMSSA-N 1 3 372.557 2.356 20 0 FEADHO CN(C)[C@H]1CCCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000105244042 543166728 /nfs/dbraw/zinc/16/67/28/543166728.db2.gz YVZXWECRYKMAET-SFHVURJKSA-N 1 3 362.518 2.253 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106540156 543236200 /nfs/dbraw/zinc/23/62/00/543236200.db2.gz RBBHLODKWWZHKP-OALUTQOASA-N 1 3 358.530 2.475 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106540156 543236202 /nfs/dbraw/zinc/23/62/02/543236202.db2.gz RBBHLODKWWZHKP-OALUTQOASA-N 1 3 358.530 2.475 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111547736 543406469 /nfs/dbraw/zinc/40/64/69/543406469.db2.gz RKAUQMOAHLYTEP-HXUWFJFHSA-N 1 3 358.530 2.189 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111547736 543406471 /nfs/dbraw/zinc/40/64/71/543406471.db2.gz RKAUQMOAHLYTEP-HXUWFJFHSA-N 1 3 358.530 2.189 20 0 FEADHO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000111864792 543422036 /nfs/dbraw/zinc/42/20/36/543422036.db2.gz RHEWKFWXTKPBCI-FQEVSTJZSA-N 1 3 374.529 2.015 20 0 FEADHO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000111864792 543422037 /nfs/dbraw/zinc/42/20/37/543422037.db2.gz RHEWKFWXTKPBCI-FQEVSTJZSA-N 1 3 374.529 2.015 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000111815066 543417536 /nfs/dbraw/zinc/41/75/36/543417536.db2.gz JCPHRMZALFQDCF-FQEVSTJZSA-N 1 3 374.529 2.192 20 0 FEADHO CCCC[N@H+](C)CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000112466444 543447997 /nfs/dbraw/zinc/44/79/97/543447997.db2.gz PQVDVQSQJRLYNA-QZTJIDSGSA-N 1 3 368.566 2.249 20 0 FEADHO CCCC[N@@H+](C)CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000112466444 543447999 /nfs/dbraw/zinc/44/79/99/543447999.db2.gz PQVDVQSQJRLYNA-QZTJIDSGSA-N 1 3 368.566 2.249 20 0 FEADHO CCN(C)[C@@H](C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000112921867 543468533 /nfs/dbraw/zinc/46/85/33/543468533.db2.gz JPIIQKUQGSCVPV-AZUAARDMSA-N 1 3 360.546 2.069 20 0 FEADHO CC(C)N(C)CCNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000118122684 543646692 /nfs/dbraw/zinc/64/66/92/543646692.db2.gz HMDGFGBGBFQEEA-QGZVFWFLSA-N 1 3 374.529 2.313 20 0 FEADHO CC(C)N(C)CCNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000118122684 543646695 /nfs/dbraw/zinc/64/66/95/543646695.db2.gz HMDGFGBGBFQEEA-QGZVFWFLSA-N 1 3 374.529 2.313 20 0 FEADHO C[C@@H]1CCCN(CCNC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000125303226 543873683 /nfs/dbraw/zinc/87/36/83/543873683.db2.gz ZZXAFVVVHPKFJO-QGZVFWFLSA-N 1 3 362.518 2.158 20 0 FEADHO CC[N@@H+]1CC[C@@H](NCCC(=O)N2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000128533524 544058238 /nfs/dbraw/zinc/05/82/38/544058238.db2.gz RJTPFGNXPCTSHH-UYAOXDASSA-N 1 3 358.530 2.045 20 0 FEADHO CC[N@H+]1CC[C@@H](NCCC(=O)N2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000128533524 544058241 /nfs/dbraw/zinc/05/82/41/544058241.db2.gz RJTPFGNXPCTSHH-UYAOXDASSA-N 1 3 358.530 2.045 20 0 FEADHO C[C@@H](Cn1cc(Br)cn1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132964658 544250288 /nfs/dbraw/zinc/25/02/88/544250288.db2.gz FXDUVVJIFSQYNO-UONOGXRCSA-N 1 3 371.323 2.125 20 0 FEADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(-n2cncn2)cc1 ZINC000133163552 544258479 /nfs/dbraw/zinc/25/84/79/544258479.db2.gz CNLVJJCJYODMGE-DLBZAZTESA-N 1 3 355.486 2.419 20 0 FEADHO CC[C@]1(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)CCC[NH2+]1 ZINC000134598213 544314825 /nfs/dbraw/zinc/31/48/25/544314825.db2.gz VPDCITAVKRWFJN-PZJWPPBQSA-N 1 3 359.514 2.080 20 0 FEADHO COc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)N2CCCC2)cc1 ZINC000139341844 544401527 /nfs/dbraw/zinc/40/15/27/544401527.db2.gz RMYXZSPAQUAJJJ-HKUYNNGSSA-N 1 3 360.502 2.226 20 0 FEADHO COc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)N2CCCC2)cc1 ZINC000139341844 544401529 /nfs/dbraw/zinc/40/15/29/544401529.db2.gz RMYXZSPAQUAJJJ-HKUYNNGSSA-N 1 3 360.502 2.226 20 0 FEADHO CS[C@@H](CO)[C@@H](C)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150964881 544491245 /nfs/dbraw/zinc/49/12/45/544491245.db2.gz MHGVTEIBYHOHJJ-BEFAXECRSA-N 1 3 351.560 2.419 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000154303758 544888076 /nfs/dbraw/zinc/88/80/76/544888076.db2.gz XXRSSEVLNUUTIC-MRXNPFEDSA-N 1 3 362.518 2.332 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCc3nccs3)CC2)CC1 ZINC000553198858 674244730 /nfs/dbraw/zinc/24/47/30/674244730.db2.gz FQLWFPMLJWGKSS-UHFFFAOYSA-N 1 3 364.559 2.340 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000181975090 327755276 /nfs/dbraw/zinc/75/52/76/327755276.db2.gz GBLJSJOASPDKMC-FHWLQOOXSA-N 1 3 359.514 2.271 20 0 FEADHO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000183160591 327804957 /nfs/dbraw/zinc/80/49/57/327804957.db2.gz UJCKNLMOARALDA-ZWKOTPCHSA-N 1 3 351.516 2.243 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000183353408 327813338 /nfs/dbraw/zinc/81/33/38/327813338.db2.gz SDGWMLDBQDQNSY-UHFFFAOYSA-N 1 3 374.529 2.233 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2)CC1 ZINC000184957270 327891775 /nfs/dbraw/zinc/89/17/75/327891775.db2.gz GNNSDEDXRDJTGL-MISYRCLQSA-N 1 3 356.514 2.026 20 0 FEADHO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1n[nH]c2c1CNCC2 ZINC000188958158 328119958 /nfs/dbraw/zinc/11/99/58/328119958.db2.gz DOPOIQUFLLCQPR-UHFFFAOYSA-N 1 3 369.469 2.172 20 0 FEADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000189266273 328137881 /nfs/dbraw/zinc/13/78/81/328137881.db2.gz GVJURYWEWHNBPY-UHFFFAOYSA-N 1 3 360.502 2.020 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000195163072 328459195 /nfs/dbraw/zinc/45/91/95/328459195.db2.gz ZFQRLLBSMAUNNG-IBGZPJMESA-N 1 3 358.530 2.013 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])cc2)CC1 ZINC000236613965 328489814 /nfs/dbraw/zinc/48/98/14/328489814.db2.gz MOHLTBBLBKGQNP-ICSRJNTNSA-N 1 3 358.530 2.464 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000080125859 325118758 /nfs/dbraw/zinc/11/87/58/325118758.db2.gz PJBSIYHUKCBJGK-IBGZPJMESA-N 1 3 368.566 2.155 20 0 FEADHO C[C@H](CC(=O)NC1CCN(CCc2ccncc2)CC1)C1CC[NH2+]CC1 ZINC000237599138 328521401 /nfs/dbraw/zinc/52/14/01/328521401.db2.gz RXGZKYZZMPMBNI-QGZVFWFLSA-N 1 3 358.530 2.231 20 0 FEADHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000237755411 328527492 /nfs/dbraw/zinc/52/74/92/328527492.db2.gz IIUIOVMGTZQROL-QGZVFWFLSA-N 1 3 351.878 2.051 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](C)CN2CCOCC2)CC1 ZINC000088727650 325299677 /nfs/dbraw/zinc/29/96/77/325299677.db2.gz UYDHIDSSYHUMFX-HXUWFJFHSA-N 1 3 374.573 2.277 20 0 FEADHO CN(CC1CC[NH+](C)CC1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000091233028 325382155 /nfs/dbraw/zinc/38/21/55/325382155.db2.gz UUQXYNAVHATFQH-UHFFFAOYSA-N 1 3 359.518 2.281 20 0 FEADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000119423381 326160809 /nfs/dbraw/zinc/16/08/09/326160809.db2.gz FHTMSGHUBQVIQY-LSDHHAIUSA-N 1 3 361.486 2.495 20 0 FEADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000119423381 326160812 /nfs/dbraw/zinc/16/08/12/326160812.db2.gz FHTMSGHUBQVIQY-LSDHHAIUSA-N 1 3 361.486 2.495 20 0 FEADHO C[C@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)N1CCN(C)CC1 ZINC000127522313 326507984 /nfs/dbraw/zinc/50/79/84/326507984.db2.gz AFMMNYCKPPSCJI-GOSISDBHSA-N 1 3 362.537 2.058 20 0 FEADHO COc1cc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc(OC)c1OC ZINC000154375852 326758427 /nfs/dbraw/zinc/75/84/27/326758427.db2.gz XAGLKMGMRPONRL-INIZCTEOSA-N 1 3 365.518 2.391 20 0 FEADHO CN(C)CCOc1cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)ccn1 ZINC000154791185 326769198 /nfs/dbraw/zinc/76/91/98/326769198.db2.gz NIEXPIZLWIIUFD-UHFFFAOYSA-N 1 3 356.470 2.014 20 0 FEADHO C[C@@H](CNC(=O)N(C)CC1CCN(c2ccncc2)CC1)[N@H+](C)C1CC1 ZINC000161704174 327006903 /nfs/dbraw/zinc/00/69/03/327006903.db2.gz OOBOFPIXXIKVIM-INIZCTEOSA-N 1 3 359.518 2.422 20 0 FEADHO C[C@@H](CNC(=O)N(C)CC1CCN(c2ccncc2)CC1)[N@@H+](C)C1CC1 ZINC000161704174 327006904 /nfs/dbraw/zinc/00/69/04/327006904.db2.gz OOBOFPIXXIKVIM-INIZCTEOSA-N 1 3 359.518 2.422 20 0 FEADHO O=C(c1ccc(CN2CCC(CO)CC2)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000162974760 327039412 /nfs/dbraw/zinc/03/94/12/327039412.db2.gz AQBROPHZKFLENH-OAQYLSRUSA-N 1 3 371.525 2.201 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000171036555 327113939 /nfs/dbraw/zinc/11/39/39/327113939.db2.gz HLHJNUCKDXLQFC-SFHVURJKSA-N 1 3 360.502 2.007 20 0 FEADHO O=C(NCCN1CCCCC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171531294 327144623 /nfs/dbraw/zinc/14/46/23/327144623.db2.gz RPMPZSSNFKOOEW-FQEVSTJZSA-N 1 3 358.530 2.336 20 0 FEADHO O=C(NCCN1CCCCC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000171531294 327144625 /nfs/dbraw/zinc/14/46/25/327144625.db2.gz RPMPZSSNFKOOEW-FQEVSTJZSA-N 1 3 358.530 2.336 20 0 FEADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1 ZINC000173619783 327271565 /nfs/dbraw/zinc/27/15/65/327271565.db2.gz SPKLUHQXPMBZJT-ZDUSSCGKSA-N 1 3 350.438 2.325 20 0 FEADHO COc1cccc(COC[C@@H](O)C[N@H+](C)CC[C@@H]2CCCCN2C)c1 ZINC000173953172 327297376 /nfs/dbraw/zinc/29/73/76/327297376.db2.gz UBPWXJFOJJULPI-OALUTQOASA-N 1 3 350.503 2.379 20 0 FEADHO COc1cccc(COC[C@@H](O)C[N@@H+](C)CC[C@@H]2CCCCN2C)c1 ZINC000173953172 327297378 /nfs/dbraw/zinc/29/73/78/327297378.db2.gz UBPWXJFOJJULPI-OALUTQOASA-N 1 3 350.503 2.379 20 0 FEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000174480580 327329627 /nfs/dbraw/zinc/32/96/27/327329627.db2.gz UKHBVMPQHYDXLJ-HXUWFJFHSA-N 1 3 372.557 2.389 20 0 FEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000174480580 327329628 /nfs/dbraw/zinc/32/96/28/327329628.db2.gz UKHBVMPQHYDXLJ-HXUWFJFHSA-N 1 3 372.557 2.389 20 0 FEADHO CCCC[C@@H](C(=O)Nc1cc(C)on1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174717070 327345336 /nfs/dbraw/zinc/34/53/36/327345336.db2.gz XMRISSVPOPIICZ-KRWDZBQOSA-N 1 3 365.522 2.050 20 0 FEADHO CN(CCC[NH+]1CCN(C)CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000174729936 327346367 /nfs/dbraw/zinc/34/63/67/327346367.db2.gz SXCZOJJUCXRAMQ-SFHVURJKSA-N 1 3 364.921 2.015 20 0 FEADHO COCC1(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC[NH2+]CC1 ZINC000262428985 328865455 /nfs/dbraw/zinc/86/54/55/328865455.db2.gz WGSSWERJFBRPTQ-IBGZPJMESA-N 1 3 359.514 2.264 20 0 FEADHO [NH3+]C1(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)CCCCC1 ZINC000262658189 328879235 /nfs/dbraw/zinc/87/92/35/328879235.db2.gz DWXXRJKZQXUAAG-UHFFFAOYSA-N 1 3 358.486 2.112 20 0 FEADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)ccc2oc1=O ZINC000263285160 328930342 /nfs/dbraw/zinc/93/03/42/328930342.db2.gz UEMSBCLCSCAROG-IMJJTQAJSA-N 1 3 372.469 2.015 20 0 FEADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000265879535 329169205 /nfs/dbraw/zinc/16/92/05/329169205.db2.gz ODWBZBJKYONBKX-IEBWSBKVSA-N 1 3 368.543 2.463 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H](C)[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000267182165 329300123 /nfs/dbraw/zinc/30/01/23/329300123.db2.gz BVFMRVFYLUYLRD-IRLDBZIGSA-N 1 3 374.573 2.066 20 0 FEADHO CN(C)CCOc1cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)ccn1 ZINC000272659077 329802551 /nfs/dbraw/zinc/80/25/51/329802551.db2.gz HKUOYYLXBCNPIS-UHFFFAOYSA-N 1 3 356.470 2.378 20 0 FEADHO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1cccc(OCCN(C)C)c1 ZINC000274779387 329979413 /nfs/dbraw/zinc/97/94/13/329979413.db2.gz KDOLUBQQHQZESI-INIZCTEOSA-N 1 3 356.532 2.493 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC2(N(C)C)CCC2)c1 ZINC000275557002 330063316 /nfs/dbraw/zinc/06/33/16/330063316.db2.gz DCQDWTRRDOWCIF-UHFFFAOYSA-N 1 3 360.502 2.067 20 0 FEADHO CCN(CCC[NH+](C)C)C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000276091458 330118416 /nfs/dbraw/zinc/11/84/16/330118416.db2.gz QKAQPZJHNVPBHG-UHFFFAOYSA-N 1 3 364.534 2.153 20 0 FEADHO CCC[NH+]1CCC(N(C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000158798911 545895806 /nfs/dbraw/zinc/89/58/06/545895806.db2.gz BIHRAQLOHLSXRA-FQEVSTJZSA-N 1 3 360.546 2.212 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)[C@H]2CCC[NH2+]CC2)CC1 ZINC000478541555 561169258 /nfs/dbraw/zinc/16/92/58/561169258.db2.gz JTXXDWDOHOJGDT-NRFANRHFSA-N 1 3 372.557 2.103 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000478603092 561170838 /nfs/dbraw/zinc/17/08/38/561170838.db2.gz PVJWRGJREFRSJF-QGZVFWFLSA-N 1 3 352.567 2.029 20 0 FEADHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000479339483 561187710 /nfs/dbraw/zinc/18/77/10/561187710.db2.gz GKFNKYGMPUZPFF-CRAIPNDOSA-N 1 3 350.482 2.460 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000479339483 561187711 /nfs/dbraw/zinc/18/77/11/561187711.db2.gz GKFNKYGMPUZPFF-CRAIPNDOSA-N 1 3 350.482 2.460 20 0 FEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000479621377 561193561 /nfs/dbraw/zinc/19/35/61/561193561.db2.gz PJEXOIFEQJVHRP-QGZVFWFLSA-N 1 3 351.535 2.210 20 0 FEADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000175675470 546332577 /nfs/dbraw/zinc/33/25/77/546332577.db2.gz WUCJEACUCZJVKF-QZTJIDSGSA-N 1 3 368.566 2.249 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000176166385 546415693 /nfs/dbraw/zinc/41/56/93/546415693.db2.gz XITIVJIBGFPWCA-GOSISDBHSA-N 1 3 368.566 2.440 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000176166385 546415696 /nfs/dbraw/zinc/41/56/96/546415696.db2.gz XITIVJIBGFPWCA-GOSISDBHSA-N 1 3 368.566 2.440 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000176211320 546420009 /nfs/dbraw/zinc/42/00/09/546420009.db2.gz YWHZTBKJNFWMQN-QGZVFWFLSA-N 1 3 354.539 2.049 20 0 FEADHO CC[NH+](CC)CCNC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177337863 546596737 /nfs/dbraw/zinc/59/67/37/546596737.db2.gz NRGNORLXLJHVRU-QZTJIDSGSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000481036940 561223459 /nfs/dbraw/zinc/22/34/59/561223459.db2.gz OPRROFTWSRVNMC-YJBOKZPZSA-N 1 3 350.482 2.460 20 0 FEADHO CN(C)[C@]1(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)CCSC1 ZINC000481244145 561228768 /nfs/dbraw/zinc/22/87/68/561228768.db2.gz YRKNVCFMWVJZEQ-IBGZPJMESA-N 1 3 364.559 2.245 20 0 FEADHO CN(C)[C@]1(CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)CCSC1 ZINC000481244145 561228769 /nfs/dbraw/zinc/22/87/69/561228769.db2.gz YRKNVCFMWVJZEQ-IBGZPJMESA-N 1 3 364.559 2.245 20 0 FEADHO CN(C)[C@]1(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCSC1 ZINC000481790462 561242473 /nfs/dbraw/zinc/24/24/73/561242473.db2.gz TZGHQQFUDMTMQQ-SFHVURJKSA-N 1 3 354.564 2.084 20 0 FEADHO CC1(C(=O)NCCNc2ccncc2)CC[NH+](Cc2ccccc2)CC1 ZINC000482900634 561262402 /nfs/dbraw/zinc/26/24/02/561262402.db2.gz BQZXKKIDXJMYHJ-UHFFFAOYSA-N 1 3 352.482 2.334 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cccc(-n3cncn3)c2)[C@@H](C)C1 ZINC000483194451 561270033 /nfs/dbraw/zinc/27/00/33/561270033.db2.gz ITTDIQAFLKMTNK-FXAWDEMLSA-N 1 3 357.502 2.494 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NCc2cccc(-n3cncn3)c2)[C@@H](C)C1 ZINC000483194451 561270034 /nfs/dbraw/zinc/27/00/34/561270034.db2.gz ITTDIQAFLKMTNK-FXAWDEMLSA-N 1 3 357.502 2.494 20 0 FEADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000182487977 547502639 /nfs/dbraw/zinc/50/26/39/547502639.db2.gz OAPHKFPMSPZDGW-MSOLQXFVSA-N 1 3 354.516 2.072 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000183242649 547625668 /nfs/dbraw/zinc/62/56/68/547625668.db2.gz UWTJHLFKFXFBDC-PKOBYXMFSA-N 1 3 372.513 2.111 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccn1 ZINC000183242649 547625672 /nfs/dbraw/zinc/62/56/72/547625672.db2.gz UWTJHLFKFXFBDC-PKOBYXMFSA-N 1 3 372.513 2.111 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2)CC1 ZINC000184957208 547906572 /nfs/dbraw/zinc/90/65/72/547906572.db2.gz GNNSDEDXRDJTGL-SXLOBPIMSA-N 1 3 356.514 2.026 20 0 FEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000485817759 561328994 /nfs/dbraw/zinc/32/89/94/561328994.db2.gz VAYFFPWMZQGFST-DOTOQJQBSA-N 1 3 367.497 2.442 20 0 FEADHO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000192097084 548358519 /nfs/dbraw/zinc/35/85/19/548358519.db2.gz AACBJMKRWKIYCT-UHFFFAOYSA-N 1 3 369.513 2.071 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000486812581 561357308 /nfs/dbraw/zinc/35/73/08/561357308.db2.gz WTFOBKFRHXKQLX-YVWKXTFCSA-N 1 3 359.514 2.403 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000486812581 561357309 /nfs/dbraw/zinc/35/73/09/561357309.db2.gz WTFOBKFRHXKQLX-YVWKXTFCSA-N 1 3 359.514 2.403 20 0 FEADHO C[NH+](C)CCCOc1ccc(CNC(=O)[C@H](CN)c2ccccc2)cc1 ZINC000237104413 548800157 /nfs/dbraw/zinc/80/01/57/548800157.db2.gz IAXRDZBJYOMCLW-HXUWFJFHSA-N 1 3 355.482 2.376 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)C3(C[NH3+])CCCC3)CC2)C[C@@H](C)O1 ZINC000237400452 548823007 /nfs/dbraw/zinc/82/30/07/548823007.db2.gz AYQMTOUCFCFDEY-IAGOWNOFSA-N 1 3 351.535 2.243 20 0 FEADHO C[C@@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)[C@@H]1C[NH3+] ZINC000237400862 548823238 /nfs/dbraw/zinc/82/32/38/548823238.db2.gz FEGPFFUZHCLUBA-UYAOXDASSA-N 1 3 358.530 2.175 20 0 FEADHO C[C@H]([NH3+])C(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000237410956 548823796 /nfs/dbraw/zinc/82/37/96/548823796.db2.gz YLIHUDJJMSPPRI-KRWDZBQOSA-N 1 3 352.482 2.290 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000237402226 548823984 /nfs/dbraw/zinc/82/39/84/548823984.db2.gz ATECDNWDCAGOSS-MBOZVWFJSA-N 1 3 351.535 2.114 20 0 FEADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000237527414 548832866 /nfs/dbraw/zinc/83/28/66/548832866.db2.gz OLXLZZAJRJTENV-AZUAARDMSA-N 1 3 358.530 2.317 20 0 FEADHO C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)[C@@H](N)c1ccccc1 ZINC000237603818 548837123 /nfs/dbraw/zinc/83/71/23/548837123.db2.gz VBOJDPANBXHUKA-IEBWSBKVSA-N 1 3 359.514 2.474 20 0 FEADHO C[C@H](CC(=O)NCC1(N2CCSCC2)CCCC1)C1CC[NH2+]CC1 ZINC000237609903 548838237 /nfs/dbraw/zinc/83/82/37/548838237.db2.gz JMVUZXVCMFHQGN-MRXNPFEDSA-N 1 3 353.576 2.490 20 0 FEADHO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000237606135 548838703 /nfs/dbraw/zinc/83/87/03/548838703.db2.gz NKQHSMNCWWMXON-UEXGIBASSA-N 1 3 373.541 2.294 20 0 FEADHO C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000237606135 548838705 /nfs/dbraw/zinc/83/87/05/548838705.db2.gz NKQHSMNCWWMXON-UEXGIBASSA-N 1 3 373.541 2.294 20 0 FEADHO C[C@H](CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000237672600 548843490 /nfs/dbraw/zinc/84/34/90/548843490.db2.gz VSURBJTYZXXABI-NQIIRXRSSA-N 1 3 372.557 2.076 20 0 FEADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000487813785 561376327 /nfs/dbraw/zinc/37/63/27/561376327.db2.gz VNNBUAMFBXAYOX-JENIJYKNSA-N 1 3 350.551 2.479 20 0 FEADHO O[C@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)CN1CCCC1 ZINC000238122021 548878480 /nfs/dbraw/zinc/87/84/80/548878480.db2.gz AXUCXAUEANLDJJ-LJQANCHMSA-N 1 3 351.922 2.351 20 0 FEADHO O[C@H](CNC1CCN(Cc2ccc(Cl)cc2)CC1)C[NH+]1CCCC1 ZINC000238122021 548878484 /nfs/dbraw/zinc/87/84/84/548878484.db2.gz AXUCXAUEANLDJJ-LJQANCHMSA-N 1 3 351.922 2.351 20 0 FEADHO CC[N@H+](CCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000245387049 548903388 /nfs/dbraw/zinc/90/33/88/548903388.db2.gz TVFGZNLMLSTLEM-IRXDYDNUSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@@H+](CCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000245387049 548903393 /nfs/dbraw/zinc/90/33/93/548903393.db2.gz TVFGZNLMLSTLEM-IRXDYDNUSA-N 1 3 366.550 2.002 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000245594103 548953405 /nfs/dbraw/zinc/95/34/05/548953405.db2.gz BNPXYDGDMDGOOU-MSOLQXFVSA-N 1 3 360.502 2.005 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000245594103 548953407 /nfs/dbraw/zinc/95/34/07/548953407.db2.gz BNPXYDGDMDGOOU-MSOLQXFVSA-N 1 3 360.502 2.005 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488036586 561381877 /nfs/dbraw/zinc/38/18/77/561381877.db2.gz BCMLFQAVXVIBFM-ZSXDVEMLSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488036586 561381878 /nfs/dbraw/zinc/38/18/78/561381878.db2.gz BCMLFQAVXVIBFM-ZSXDVEMLSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000246461895 549139448 /nfs/dbraw/zinc/13/94/48/549139448.db2.gz GECGGJRHDQFJFS-ZIFCJYIRSA-N 1 3 352.567 2.028 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)C[C@H]1CCC[C@H]1O ZINC000247001772 549261466 /nfs/dbraw/zinc/26/14/66/549261466.db2.gz UFHGJFHOTILCMJ-YFVAEKQCSA-N 1 3 373.541 2.249 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)N2CCCC2)c1 ZINC000247065150 549276594 /nfs/dbraw/zinc/27/65/94/549276594.db2.gz HFJXLYHQIUJZIQ-YLJYHZDGSA-N 1 3 374.529 2.473 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)N2CCCC2)c1 ZINC000247065150 549276597 /nfs/dbraw/zinc/27/65/97/549276597.db2.gz HFJXLYHQIUJZIQ-YLJYHZDGSA-N 1 3 374.529 2.473 20 0 FEADHO CC[N@@H+]1CC[C@H](NCc2cccc(OCCN3CCOCC3)c2)[C@@H](C)C1 ZINC000247097737 549282865 /nfs/dbraw/zinc/28/28/65/549282865.db2.gz PWGJNFNIZIAURV-RXVVDRJESA-N 1 3 361.530 2.218 20 0 FEADHO CC[N@H+]1CC[C@H](NCc2cccc(OCCN3CCOCC3)c2)[C@@H](C)C1 ZINC000247097737 549282868 /nfs/dbraw/zinc/28/28/68/549282868.db2.gz PWGJNFNIZIAURV-RXVVDRJESA-N 1 3 361.530 2.218 20 0 FEADHO CCN1CC[C@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)[C@@H](C)C1 ZINC000247097737 549282870 /nfs/dbraw/zinc/28/28/70/549282870.db2.gz PWGJNFNIZIAURV-RXVVDRJESA-N 1 3 361.530 2.218 20 0 FEADHO C[C@H](NC(=O)[C@H]1CCCN1C1CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248402659 549429177 /nfs/dbraw/zinc/42/91/77/549429177.db2.gz NPYDJZVGLAHFIQ-SQGPQFPESA-N 1 3 363.546 2.399 20 0 FEADHO C[C@H](NC(=O)[C@H]1CCCN1C1CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248402659 549429180 /nfs/dbraw/zinc/42/91/80/549429180.db2.gz NPYDJZVGLAHFIQ-SQGPQFPESA-N 1 3 363.546 2.399 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1(C)C ZINC000249090074 549550020 /nfs/dbraw/zinc/55/00/20/549550020.db2.gz VCGOETQARUGWNG-LJCCNALRSA-N 1 3 353.551 2.393 20 0 FEADHO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000261652244 549739177 /nfs/dbraw/zinc/73/91/77/549739177.db2.gz BCKFATROFUTKQU-HOTGVXAUSA-N 1 3 351.516 2.219 20 0 FEADHO C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261670757 549740441 /nfs/dbraw/zinc/74/04/41/549740441.db2.gz LPXCBSMSXUJPRW-OCCSQVGLSA-N 1 3 359.392 2.433 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)cc1)[C@H]1CCCN(C)C1 ZINC000261695257 549744243 /nfs/dbraw/zinc/74/42/43/549744243.db2.gz CFHFVZFOJTZYAX-LPHOPBHVSA-N 1 3 372.513 2.181 20 0 FEADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H](N)C3CCOCC3)cc2)CC1 ZINC000261919197 549769372 /nfs/dbraw/zinc/76/93/72/549769372.db2.gz YKQWBFBZLPWCBC-FQEVSTJZSA-N 1 3 359.514 2.289 20 0 FEADHO CC[NH+](CC)CC1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000262308302 549809355 /nfs/dbraw/zinc/80/93/55/549809355.db2.gz YOLYIOIIGQABAL-ABSDTBQOSA-N 1 3 351.535 2.099 20 0 FEADHO COCC1(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC[NH2+]CC1 ZINC000262447042 549820461 /nfs/dbraw/zinc/82/04/61/549820461.db2.gz YYMNPXFFBQXZRA-INIZCTEOSA-N 1 3 365.543 2.093 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NCC[N@H+](C)C2CC2)N2CCCC2)c1 ZINC000490877661 561439633 /nfs/dbraw/zinc/43/96/33/561439633.db2.gz WSJYQYOICRTROH-LJQANCHMSA-N 1 3 360.502 2.226 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NCC[N@@H+](C)C2CC2)N2CCCC2)c1 ZINC000490877661 561439634 /nfs/dbraw/zinc/43/96/34/561439634.db2.gz WSJYQYOICRTROH-LJQANCHMSA-N 1 3 360.502 2.226 20 0 FEADHO CCN1CCC(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000264033816 549970943 /nfs/dbraw/zinc/97/09/43/549970943.db2.gz IFSGFTPKVLUNQS-IBGZPJMESA-N 1 3 358.530 2.335 20 0 FEADHO CCN1CCC(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000264033816 549970945 /nfs/dbraw/zinc/97/09/45/549970945.db2.gz IFSGFTPKVLUNQS-IBGZPJMESA-N 1 3 358.530 2.335 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000264127289 549982749 /nfs/dbraw/zinc/98/27/49/549982749.db2.gz OPYNYISVRBGPSK-WOJBJXKFSA-N 1 3 374.529 2.096 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000264127289 549982754 /nfs/dbraw/zinc/98/27/54/549982754.db2.gz OPYNYISVRBGPSK-WOJBJXKFSA-N 1 3 374.529 2.096 20 0 FEADHO COc1ccccc1-c1ncc(CNCC2(O)CC[NH+](C(C)C)CC2)cn1 ZINC000491204045 561443792 /nfs/dbraw/zinc/44/37/92/561443792.db2.gz VRRWHNQNJSNTIG-UHFFFAOYSA-N 1 3 370.497 2.477 20 0 FEADHO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)CC1 ZINC000268864488 550124505 /nfs/dbraw/zinc/12/45/05/550124505.db2.gz SKQKZNYMFMRMTI-ABSDTBQOSA-N 1 3 358.530 2.173 20 0 FEADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1(O)CCN(C)CC1 ZINC000268990022 550141485 /nfs/dbraw/zinc/14/14/85/550141485.db2.gz MEQBBGCNOHPJOH-OAHLLOKOSA-N 1 3 367.921 2.123 20 0 FEADHO C[NH2+][C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000269131658 550159325 /nfs/dbraw/zinc/15/93/25/550159325.db2.gz OZJYLALCPGTQIR-RDJZCZTQSA-N 1 3 355.404 2.261 20 0 FEADHO O=C(CC1CC[NH2+]CC1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000269268242 550174169 /nfs/dbraw/zinc/17/41/69/550174169.db2.gz QNWKGWUJMSNHRM-UHFFFAOYSA-N 1 3 363.477 2.175 20 0 FEADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271864583 550407271 /nfs/dbraw/zinc/40/72/71/550407271.db2.gz OXIONUUBGZPTID-HZPDHXFCSA-N 1 3 353.532 2.497 20 0 FEADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000271864583 550407272 /nfs/dbraw/zinc/40/72/72/550407272.db2.gz OXIONUUBGZPTID-HZPDHXFCSA-N 1 3 353.532 2.497 20 0 FEADHO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC1 ZINC000277104760 550632613 /nfs/dbraw/zinc/63/26/13/550632613.db2.gz CWGIXRINGZOUSO-NRFANRHFSA-N 1 3 373.541 2.447 20 0 FEADHO COc1ccc2c(c1)[C@H](C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CC2 ZINC000277267752 550649629 /nfs/dbraw/zinc/64/96/29/550649629.db2.gz RJVVRYLCZHWXNC-HXUWFJFHSA-N 1 3 371.525 2.400 20 0 FEADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CC4(N5CCOCC5)CC4)[C@H]3C2)cc1 ZINC000278780803 550820915 /nfs/dbraw/zinc/82/09/15/550820915.db2.gz PUIRKWUSIDCTJI-PCCBWWKXSA-N 1 3 355.526 2.351 20 0 FEADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCC4(N5CCOCC5)CC4)[C@H]3C2)cc1 ZINC000278780803 550820918 /nfs/dbraw/zinc/82/09/18/550820918.db2.gz PUIRKWUSIDCTJI-PCCBWWKXSA-N 1 3 355.526 2.351 20 0 FEADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCC4(N5CCOCC5)CC4)[C@H]3C2)cc1 ZINC000278780803 550820920 /nfs/dbraw/zinc/82/09/20/550820920.db2.gz PUIRKWUSIDCTJI-PCCBWWKXSA-N 1 3 355.526 2.351 20 0 FEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000496648514 561495015 /nfs/dbraw/zinc/49/50/15/561495015.db2.gz GXXJGWNEKCVUMC-MJGOQNOKSA-N 1 3 362.518 2.472 20 0 FEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000496648514 561495016 /nfs/dbraw/zinc/49/50/16/561495016.db2.gz GXXJGWNEKCVUMC-MJGOQNOKSA-N 1 3 362.518 2.472 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@](C)(O)CCc3ccccc3)CC2)CC1 ZINC000283385984 551357815 /nfs/dbraw/zinc/35/78/15/551357815.db2.gz RWXNUHKBFPTVLX-JOCHJYFZSA-N 1 3 373.541 2.045 20 0 FEADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000498142139 561516895 /nfs/dbraw/zinc/51/68/95/561516895.db2.gz QNOYDWFQBDATNJ-XLIONFOSSA-N 1 3 370.541 2.354 20 0 FEADHO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H](N)CC(F)F)CC2)cc1 ZINC000498206669 561518613 /nfs/dbraw/zinc/51/86/13/561518613.db2.gz LDWZBUJVEFMUTG-INIZCTEOSA-N 1 3 355.429 2.006 20 0 FEADHO C[C@@H](CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1)[N@H+](C)C1CC1 ZINC000285292653 551733199 /nfs/dbraw/zinc/73/31/99/551733199.db2.gz GJMVSNIGGKXCSM-INIZCTEOSA-N 1 3 374.529 2.442 20 0 FEADHO C[C@@H](CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1)[N@@H+](C)C1CC1 ZINC000285292653 551733201 /nfs/dbraw/zinc/73/32/01/551733201.db2.gz GJMVSNIGGKXCSM-INIZCTEOSA-N 1 3 374.529 2.442 20 0 FEADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000286912913 551939440 /nfs/dbraw/zinc/93/94/40/551939440.db2.gz AMJWTCYJPCLUST-XLIONFOSSA-N 1 3 374.529 2.395 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000287420681 552001920 /nfs/dbraw/zinc/00/19/20/552001920.db2.gz KMZLCXQTOAKFOK-SFHVURJKSA-N 1 3 374.529 2.443 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000287420681 552001921 /nfs/dbraw/zinc/00/19/21/552001921.db2.gz KMZLCXQTOAKFOK-SFHVURJKSA-N 1 3 374.529 2.443 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1c(C)noc1C ZINC000499507545 561552655 /nfs/dbraw/zinc/55/26/55/561552655.db2.gz JUJRMROLPDLQGH-QGZVFWFLSA-N 1 3 350.507 2.099 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1c(C)noc1C ZINC000499507545 561552656 /nfs/dbraw/zinc/55/26/56/561552656.db2.gz JUJRMROLPDLQGH-QGZVFWFLSA-N 1 3 350.507 2.099 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1COC2=O ZINC000289608451 552349246 /nfs/dbraw/zinc/34/92/46/552349246.db2.gz JIAKXGAPHREVAW-OAHLLOKOSA-N 1 3 374.485 2.237 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc2c1COC2=O ZINC000289608451 552349248 /nfs/dbraw/zinc/34/92/48/552349248.db2.gz JIAKXGAPHREVAW-OAHLLOKOSA-N 1 3 374.485 2.237 20 0 FEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000289863227 552391152 /nfs/dbraw/zinc/39/11/52/552391152.db2.gz CWXCYEWLLLITGG-VQTJNVASSA-N 1 3 358.530 2.093 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)cc1 ZINC000290086375 552425126 /nfs/dbraw/zinc/42/51/26/552425126.db2.gz WXCANFZXCRVEGD-OXQOHEQNSA-N 1 3 359.514 2.412 20 0 FEADHO CC(C)N1CCN(CCC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)CC1 ZINC000500979611 561587056 /nfs/dbraw/zinc/58/70/56/561587056.db2.gz CBRIBEJLRGOVRP-MOPGFXCFSA-N 1 3 355.592 2.389 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)CC1 ZINC000500979611 561587057 /nfs/dbraw/zinc/58/70/57/561587057.db2.gz CBRIBEJLRGOVRP-MOPGFXCFSA-N 1 3 355.592 2.389 20 0 FEADHO O=C(CC[C@@H]1CCC[NH2+]1)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000292091230 552692977 /nfs/dbraw/zinc/69/29/77/552692977.db2.gz NFCKTJDLYJIOBR-NRFANRHFSA-N 1 3 372.557 2.233 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](CO)CC1 ZINC000293001271 552778999 /nfs/dbraw/zinc/77/89/99/552778999.db2.gz CVNVOYCAVPCRQS-QUCCMNQESA-N 1 3 373.541 2.250 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000293658818 552844688 /nfs/dbraw/zinc/84/46/88/552844688.db2.gz IYOMZTVXHRLCIZ-UHFFFAOYSA-N 1 3 360.502 2.069 20 0 FEADHO CCOC(=O)c1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)[nH]c1C ZINC000295226919 552972179 /nfs/dbraw/zinc/97/21/79/552972179.db2.gz RMYCLLXJQAILOA-UHFFFAOYSA-N 1 3 362.518 2.148 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000296518126 553172817 /nfs/dbraw/zinc/17/28/17/553172817.db2.gz ZUSLPWGCZHFKIV-UHFFFAOYSA-N 1 3 374.529 2.443 20 0 FEADHO CCN(CC[NH+]1CCCCCC1)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000502886688 561629027 /nfs/dbraw/zinc/62/90/27/561629027.db2.gz YSWQZFADAJWNPU-IBGZPJMESA-N 1 3 368.566 2.395 20 0 FEADHO CCCN(CCN1CCCC1)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000502896751 561629378 /nfs/dbraw/zinc/62/93/78/561629378.db2.gz QWANCULTVJYFIT-SFHVURJKSA-N 1 3 354.539 2.005 20 0 FEADHO CCCN(CCN1CCCC1)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000502896751 561629379 /nfs/dbraw/zinc/62/93/79/561629379.db2.gz QWANCULTVJYFIT-SFHVURJKSA-N 1 3 354.539 2.005 20 0 FEADHO O=C1[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CCCN1Cc1ccccn1 ZINC000297328089 553278917 /nfs/dbraw/zinc/27/89/17/553278917.db2.gz CRGLAUZWMZZFHK-FQEVSTJZSA-N 1 3 365.481 2.226 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000297549167 553307468 /nfs/dbraw/zinc/30/74/68/553307468.db2.gz WYEGZEMKIBJJLM-UHFFFAOYSA-N 1 3 370.501 2.362 20 0 FEADHO C[C@@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCN(C2CC2)C1 ZINC000297716907 553329402 /nfs/dbraw/zinc/32/94/02/553329402.db2.gz YLCFGDIWOUVDAY-KRWDZBQOSA-N 1 3 374.529 2.253 20 0 FEADHO Cn1cncc1CCN1CCCC2(CCC[N@H+](CCc3cncn3C)C2)C1 ZINC000297747253 553333781 /nfs/dbraw/zinc/33/37/81/553333781.db2.gz UAOYSPABICXSHS-UHFFFAOYSA-N 1 3 370.545 2.117 20 0 FEADHO Cn1cncc1CCN1CCCC2(CCC[N@@H+](CCc3cncn3C)C2)C1 ZINC000297747253 553333784 /nfs/dbraw/zinc/33/37/84/553333784.db2.gz UAOYSPABICXSHS-UHFFFAOYSA-N 1 3 370.545 2.117 20 0 FEADHO CC[NH+]1CCN(Cc2ccc(CNCc3cn4cccnc4n3)cc2)CC1 ZINC000298582568 553444088 /nfs/dbraw/zinc/44/40/88/553444088.db2.gz XWORJOWCEYBKQK-UHFFFAOYSA-N 1 3 364.497 2.157 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000299038947 553506879 /nfs/dbraw/zinc/50/68/79/553506879.db2.gz YZTUCBNGXLGIEU-UHFFFAOYSA-N 1 3 372.513 2.164 20 0 FEADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000328283736 553793546 /nfs/dbraw/zinc/79/35/46/553793546.db2.gz HLGRFUYEHUBENY-FUHIMQAGSA-N 1 3 351.535 2.098 20 0 FEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000328283736 553793547 /nfs/dbraw/zinc/79/35/47/553793547.db2.gz HLGRFUYEHUBENY-FUHIMQAGSA-N 1 3 351.535 2.098 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC000505800115 561681144 /nfs/dbraw/zinc/68/11/44/561681144.db2.gz AHTWEDRJACBELZ-MAUKXSAKSA-N 1 3 363.550 2.015 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC000505800115 561681145 /nfs/dbraw/zinc/68/11/45/561681145.db2.gz AHTWEDRJACBELZ-MAUKXSAKSA-N 1 3 363.550 2.015 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCn1cnc2ccccc21 ZINC000505826310 561681999 /nfs/dbraw/zinc/68/19/99/561681999.db2.gz SEJVSGPTUNQKMJ-GOSISDBHSA-N 1 3 371.529 2.301 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCn1cnc2ccccc21 ZINC000505826310 561682001 /nfs/dbraw/zinc/68/20/01/561682001.db2.gz SEJVSGPTUNQKMJ-GOSISDBHSA-N 1 3 371.529 2.301 20 0 FEADHO C[NH+](C)CC1CCN(Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000506928598 561711894 /nfs/dbraw/zinc/71/18/94/561711894.db2.gz KCUMNMBWUQAODH-UHFFFAOYSA-N 1 3 359.514 2.365 20 0 FEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507279951 561723464 /nfs/dbraw/zinc/72/34/64/561723464.db2.gz KSMBPGQRXJIBRY-HXUWFJFHSA-N 1 3 373.541 2.373 20 0 FEADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507279951 561723466 /nfs/dbraw/zinc/72/34/66/561723466.db2.gz KSMBPGQRXJIBRY-HXUWFJFHSA-N 1 3 373.541 2.373 20 0 FEADHO C[C@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)N1CCC[C@@H](C)C1 ZINC000330985871 554197291 /nfs/dbraw/zinc/19/72/91/554197291.db2.gz GAXRLPUDVAOPTH-HZPDHXFCSA-N 1 3 353.532 2.147 20 0 FEADHO CC(C)[NH+](CCN(C)C(=O)c1ccnc(OCCN(C)C)c1)C(C)C ZINC000509725678 561811850 /nfs/dbraw/zinc/81/18/50/561811850.db2.gz UJTHTQYZVXCLIJ-UHFFFAOYSA-N 1 3 350.507 2.213 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCC[C@@H](C(N)=O)C3)CC2)CC1 ZINC000332920138 554543147 /nfs/dbraw/zinc/54/31/47/554543147.db2.gz FZIJGTMCSIKWJF-CABCVRRESA-N 1 3 350.507 2.003 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000333119260 554575408 /nfs/dbraw/zinc/57/54/08/554575408.db2.gz HXFUPEWNMKNDTC-MDNKFWRPSA-N 1 3 365.562 2.239 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)c(C)c2)CC1 ZINC000333132007 554577332 /nfs/dbraw/zinc/57/73/32/554577332.db2.gz JRUWBKGFBNHCQZ-FXAWDEMLSA-N 1 3 371.529 2.353 20 0 FEADHO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCN(C4CCCCC4)CC3)cc2C1 ZINC000333245068 554593769 /nfs/dbraw/zinc/59/37/69/554593769.db2.gz BPGMWMNGYVMONO-MRXNPFEDSA-N 1 3 357.502 2.380 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC(N[C@@H](C)[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000333251078 554594701 /nfs/dbraw/zinc/59/47/01/554594701.db2.gz GTMXFFPTIJFRPF-LPHOPBHVSA-N 1 3 365.543 2.268 20 0 FEADHO CC(C)[NH+]1CCC(N2CCN(C(=O)Nc3ccc4c(c3)CNC4)CC2)CC1 ZINC000333314378 554601748 /nfs/dbraw/zinc/60/17/48/554601748.db2.gz MCVDCPCZQBGVTA-UHFFFAOYSA-N 1 3 371.529 2.312 20 0 FEADHO CN1CCC[C@]2(CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)C2)C1 ZINC000333622819 554628487 /nfs/dbraw/zinc/62/84/87/554628487.db2.gz ZSJXYJGEOGPWJD-PIIHOCENSA-N 1 3 360.546 2.267 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](N(C)Cc3ccccn3)CC2)CC[NH2+]1 ZINC000333772936 554641884 /nfs/dbraw/zinc/64/18/84/554641884.db2.gz CITPCULAJPRQQQ-AOIWGVFYSA-N 1 3 359.518 2.218 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000333805260 554645017 /nfs/dbraw/zinc/64/50/17/554645017.db2.gz ILXFRULMHBHDKP-VXNCWWDNSA-N 1 3 366.550 2.048 20 0 FEADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333817064 554646479 /nfs/dbraw/zinc/64/64/79/554646479.db2.gz QNOGNVMSBJDLEN-NEPXVJNWSA-N 1 3 366.550 2.035 20 0 FEADHO C[C@H]([NH3+])C1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000333933756 554657608 /nfs/dbraw/zinc/65/76/08/554657608.db2.gz HZTCKZBCRPSEOR-HNNXBMFYSA-N 1 3 354.564 2.117 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000361005221 554900074 /nfs/dbraw/zinc/90/00/74/554900074.db2.gz TYUJSCZPONGETO-IBGZPJMESA-N 1 3 373.545 2.466 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1cccc(OCCN(C)C)c1 ZINC000361123845 554904917 /nfs/dbraw/zinc/90/49/17/554904917.db2.gz HETYLUPJKKOFAV-FUHWJXTLSA-N 1 3 357.502 2.290 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000362223022 554957345 /nfs/dbraw/zinc/95/73/45/554957345.db2.gz SLPQGOOZQZRPSR-MRXNPFEDSA-N 1 3 351.441 2.197 20 0 FEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363390464 555093535 /nfs/dbraw/zinc/09/35/35/555093535.db2.gz SVGJLFFWIHLWAH-VQTJNVASSA-N 1 3 374.529 2.143 20 0 FEADHO COCCCN1CCCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000363558536 555137022 /nfs/dbraw/zinc/13/70/22/555137022.db2.gz SNWZAOJDAZREID-UHFFFAOYSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000363839699 555196721 /nfs/dbraw/zinc/19/67/21/555196721.db2.gz ZDAJBLHFNDROED-YLJYHZDGSA-N 1 3 358.530 2.490 20 0 FEADHO COc1cccc(OC)c1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000512137194 561893579 /nfs/dbraw/zinc/89/35/79/561893579.db2.gz UHZGLECNWMRXQM-UHFFFAOYSA-N 1 3 370.497 2.401 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)CC(C)C ZINC000364126550 555255152 /nfs/dbraw/zinc/25/51/52/555255152.db2.gz PUQRRWXJCGQSHI-TVKQPGBESA-N 1 3 353.551 2.392 20 0 FEADHO CC(C)(O)CN1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000364162630 555261215 /nfs/dbraw/zinc/26/12/15/555261215.db2.gz TUAXTTUZFPDGPK-FQEVSTJZSA-N 1 3 373.541 2.204 20 0 FEADHO CC(C)(O)CN1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000364162630 555261217 /nfs/dbraw/zinc/26/12/17/555261217.db2.gz TUAXTTUZFPDGPK-FQEVSTJZSA-N 1 3 373.541 2.204 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCC2(O)CCOCC2)CC1 ZINC000512868707 561918336 /nfs/dbraw/zinc/91/83/36/561918336.db2.gz HJTZWCCREAWDKU-UHFFFAOYSA-N 1 3 361.530 2.240 20 0 FEADHO COC1(C[C@@H](C)[NH2+]Cc2c(C)nn(C)c2N2CCCN(C)CC2)CCC1 ZINC000365246310 555521818 /nfs/dbraw/zinc/52/18/18/555521818.db2.gz OULLCASLDDCQKX-MRXNPFEDSA-N 1 3 363.550 2.308 20 0 FEADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000365339011 555547857 /nfs/dbraw/zinc/54/78/57/555547857.db2.gz SQMICVFOURJILL-BHIYHBOVSA-N 1 3 366.550 2.048 20 0 FEADHO CN(C)CCOc1cnccc1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000365613153 555622795 /nfs/dbraw/zinc/62/27/95/555622795.db2.gz AJHXCJIZXYBSBT-GOSISDBHSA-N 1 3 374.529 2.293 20 0 FEADHO CN(C)CCOc1cnccc1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000365613153 555622796 /nfs/dbraw/zinc/62/27/96/555622796.db2.gz AJHXCJIZXYBSBT-GOSISDBHSA-N 1 3 374.529 2.293 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC000513502767 561941148 /nfs/dbraw/zinc/94/11/48/561941148.db2.gz FGZJQDDIWWGZJN-IBGZPJMESA-N 1 3 354.502 2.257 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC000513502767 561941150 /nfs/dbraw/zinc/94/11/50/561941150.db2.gz FGZJQDDIWWGZJN-IBGZPJMESA-N 1 3 354.502 2.257 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000366190663 555776296 /nfs/dbraw/zinc/77/62/96/555776296.db2.gz SKMKIMNIMFGDSA-BMFAXAFESA-N 1 3 351.535 2.065 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000366190663 555776297 /nfs/dbraw/zinc/77/62/97/555776297.db2.gz SKMKIMNIMFGDSA-BMFAXAFESA-N 1 3 351.535 2.065 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H](C)O1 ZINC000368290425 556270022 /nfs/dbraw/zinc/27/00/22/556270022.db2.gz NJFYSTPUYAVCMG-FCEWJHQRSA-N 1 3 357.514 2.205 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H](C)O1 ZINC000368290425 556270024 /nfs/dbraw/zinc/27/00/24/556270024.db2.gz NJFYSTPUYAVCMG-FCEWJHQRSA-N 1 3 357.514 2.205 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCO1 ZINC000368433098 556307911 /nfs/dbraw/zinc/30/79/11/556307911.db2.gz LNCOCSNIPWDTMP-MSOLQXFVSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCO1 ZINC000368433098 556307915 /nfs/dbraw/zinc/30/79/15/556307915.db2.gz LNCOCSNIPWDTMP-MSOLQXFVSA-N 1 3 351.535 2.258 20 0 FEADHO CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000368717764 556396239 /nfs/dbraw/zinc/39/62/39/556396239.db2.gz ZHQPTPAWIKCBOJ-SFHVURJKSA-N 1 3 359.518 2.029 20 0 FEADHO CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000368717764 556396240 /nfs/dbraw/zinc/39/62/40/556396240.db2.gz ZHQPTPAWIKCBOJ-SFHVURJKSA-N 1 3 359.518 2.029 20 0 FEADHO CN(C)C[C@H](NC(=O)c1cnn(CC[NH+]2CCCCC2)c1)c1ccccc1 ZINC000369316957 556572659 /nfs/dbraw/zinc/57/26/59/556572659.db2.gz HFFJNZKLGBWQJE-FQEVSTJZSA-N 1 3 369.513 2.402 20 0 FEADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCCCC[NH+]1CCCC1 ZINC000369392588 556588340 /nfs/dbraw/zinc/58/83/40/556588340.db2.gz IBYLDGBLYRXZJD-QRVBRYPASA-N 1 3 366.550 2.051 20 0 FEADHO CCc1nnc2n1C[C@@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000369442741 556601805 /nfs/dbraw/zinc/60/18/05/556601805.db2.gz ZEJQFKWFRCDOJG-WBVHZDCISA-N 1 3 357.502 2.447 20 0 FEADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000369874192 556718924 /nfs/dbraw/zinc/71/89/24/556718924.db2.gz OTDXOOHAUCAVNK-QYZOEREBSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000370051602 556767529 /nfs/dbraw/zinc/76/75/29/556767529.db2.gz XCXCAGLSCIPXNB-FGTMMUONSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000370051602 556767531 /nfs/dbraw/zinc/76/75/31/556767531.db2.gz XCXCAGLSCIPXNB-FGTMMUONSA-N 1 3 366.550 2.002 20 0 FEADHO Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000370263506 556824296 /nfs/dbraw/zinc/82/42/96/556824296.db2.gz YJPLWOFSWXVMAZ-WBVHZDCISA-N 1 3 362.543 2.074 20 0 FEADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000370370966 556852864 /nfs/dbraw/zinc/85/28/64/556852864.db2.gz WXRMYQCKSRJAFR-RLLQIKCJSA-N 1 3 373.545 2.322 20 0 FEADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000370370966 556852866 /nfs/dbraw/zinc/85/28/66/556852866.db2.gz WXRMYQCKSRJAFR-RLLQIKCJSA-N 1 3 373.545 2.322 20 0 FEADHO Cc1csc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000370498677 556891720 /nfs/dbraw/zinc/89/17/20/556891720.db2.gz IDHGILRSIYANSU-UHFFFAOYSA-N 1 3 350.532 2.059 20 0 FEADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cccc(N2CCOC2=O)c1 ZINC000370635626 556926540 /nfs/dbraw/zinc/92/65/40/556926540.db2.gz PPYMZJVJYNOMIL-WMZOPIPTSA-N 1 3 372.513 2.462 20 0 FEADHO C[C@@H]1CN(CCC(=O)Nc2ccc(F)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371336276 557150575 /nfs/dbraw/zinc/15/05/75/557150575.db2.gz OPAJWUPXGIAJJG-VQIMIIECSA-N 1 3 362.493 2.112 20 0 FEADHO CC(C)N1CCN(C2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)CC1 ZINC000371336471 557150627 /nfs/dbraw/zinc/15/06/27/557150627.db2.gz PJMLUIAYEZDXSZ-UHFFFAOYSA-N 1 3 368.529 2.258 20 0 FEADHO Cc1cccc(CN2CCC(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000371606033 557237323 /nfs/dbraw/zinc/23/73/23/557237323.db2.gz SODXBZMHKCWWOL-FQEVSTJZSA-N 1 3 356.514 2.449 20 0 FEADHO Cc1cccc(CN2CCC(NC(=O)N3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000371606033 557237327 /nfs/dbraw/zinc/23/73/27/557237327.db2.gz SODXBZMHKCWWOL-FQEVSTJZSA-N 1 3 356.514 2.449 20 0 FEADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000371610116 557239021 /nfs/dbraw/zinc/23/90/21/557239021.db2.gz BGRBAPGEJRFFJX-WOJBJXKFSA-N 1 3 357.498 2.290 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CCC(C[NH3+])CC3)c(C)c2)CC1 ZINC000518934681 562121387 /nfs/dbraw/zinc/12/13/87/562121387.db2.gz CFAUGPCGQLITFN-UHFFFAOYSA-N 1 3 359.518 2.340 20 0 FEADHO CCN(CCC[NH+](C)C)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000372738636 557550957 /nfs/dbraw/zinc/55/09/57/557550957.db2.gz HXEHGNPAIAFLMM-UHFFFAOYSA-N 1 3 361.534 2.072 20 0 FEADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC[N@@H+]1C ZINC000519825540 562145585 /nfs/dbraw/zinc/14/55/85/562145585.db2.gz VEMYZQPKPIXJNS-WBVHZDCISA-N 1 3 358.486 2.214 20 0 FEADHO C[C@@H]1C[C@@H](NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC[N@H+]1C ZINC000519825540 562145586 /nfs/dbraw/zinc/14/55/86/562145586.db2.gz VEMYZQPKPIXJNS-WBVHZDCISA-N 1 3 358.486 2.214 20 0 FEADHO CC1(C)Cc2cccc(CN[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)c2O1 ZINC000520197266 562150350 /nfs/dbraw/zinc/15/03/50/562150350.db2.gz DGRIKAJZKUMGJN-MJGOQNOKSA-N 1 3 357.498 2.137 20 0 FEADHO C[N@H+](C[C@H]1CC12CCN(CCN1C(=O)c3ccccc3C1=O)CC2)C1CC1 ZINC000374317334 557864377 /nfs/dbraw/zinc/86/43/77/557864377.db2.gz KXVGGAJKLPSBMH-MRXNPFEDSA-N 1 3 367.493 2.479 20 0 FEADHO C[N@@H+](C[C@H]1CC12CCN(CCN1C(=O)c3ccccc3C1=O)CC2)C1CC1 ZINC000374317334 557864379 /nfs/dbraw/zinc/86/43/79/557864379.db2.gz KXVGGAJKLPSBMH-MRXNPFEDSA-N 1 3 367.493 2.479 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375830925 558086424 /nfs/dbraw/zinc/08/64/24/558086424.db2.gz QGPSPNBVIIOBTD-GGPKGHCWSA-N 1 3 364.578 2.266 20 0 FEADHO Cc1ccc(NC(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c(OCCN(C)C)c1 ZINC000376177073 558136860 /nfs/dbraw/zinc/13/68/60/558136860.db2.gz FCKMPBHCNMNBSL-AEFFLSMTSA-N 1 3 360.502 2.493 20 0 FEADHO Cc1ccc(NC(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c(OCCN(C)C)c1 ZINC000376177073 558136861 /nfs/dbraw/zinc/13/68/61/558136861.db2.gz FCKMPBHCNMNBSL-AEFFLSMTSA-N 1 3 360.502 2.493 20 0 FEADHO CC[NH+]1CCC(N(CC(=O)NC[C@H](c2ccccc2)N(C)C)C2CC2)CC1 ZINC000376921220 558239423 /nfs/dbraw/zinc/23/94/23/558239423.db2.gz CPMXXFIFQXGRSY-OAQYLSRUSA-N 1 3 372.557 2.354 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000522077543 562191042 /nfs/dbraw/zinc/19/10/42/562191042.db2.gz MFDULDFVVSEQNK-RBUKOAKNSA-N 1 3 368.566 2.153 20 0 FEADHO CC(C)(C)OC(=O)NCCOCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000377820726 558426457 /nfs/dbraw/zinc/42/64/57/558426457.db2.gz HKHFNKFXBKWJQB-WMZOPIPTSA-N 1 3 367.534 2.476 20 0 FEADHO CC(C)(C)OC(=O)NCCOCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000377820726 558426460 /nfs/dbraw/zinc/42/64/60/558426460.db2.gz HKHFNKFXBKWJQB-WMZOPIPTSA-N 1 3 367.534 2.476 20 0 FEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000377905959 558445285 /nfs/dbraw/zinc/44/52/85/558445285.db2.gz NWGSXWHZNUVPFG-UYAOXDASSA-N 1 3 356.514 2.387 20 0 FEADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000377905959 558445288 /nfs/dbraw/zinc/44/52/88/558445288.db2.gz NWGSXWHZNUVPFG-UYAOXDASSA-N 1 3 356.514 2.387 20 0 FEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000522892215 562205558 /nfs/dbraw/zinc/20/55/58/562205558.db2.gz GAOOINMQWGDQIL-RTWAWAEBSA-N 1 3 372.557 2.356 20 0 FEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000522892215 562205559 /nfs/dbraw/zinc/20/55/59/562205559.db2.gz GAOOINMQWGDQIL-RTWAWAEBSA-N 1 3 372.557 2.356 20 0 FEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000522892216 562205632 /nfs/dbraw/zinc/20/56/32/562205632.db2.gz GAOOINMQWGDQIL-SFTDATJTSA-N 1 3 372.557 2.356 20 0 FEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000522892216 562205633 /nfs/dbraw/zinc/20/56/33/562205633.db2.gz GAOOINMQWGDQIL-SFTDATJTSA-N 1 3 372.557 2.356 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCCCC3)C2)ccn1 ZINC000378574167 558586736 /nfs/dbraw/zinc/58/67/36/558586736.db2.gz GJQNAHFPMHEEDU-SFHVURJKSA-N 1 3 374.529 2.360 20 0 FEADHO COCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000398021524 558625790 /nfs/dbraw/zinc/62/57/90/558625790.db2.gz CCXVMJKKVJRXJG-PKOBYXMFSA-N 1 3 359.514 2.029 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)ccc1CN(C)C ZINC000411181435 558849517 /nfs/dbraw/zinc/84/95/17/558849517.db2.gz OUYNPTGATSZYQD-IBGZPJMESA-N 1 3 374.529 2.232 20 0 FEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)C1 ZINC000411270860 558865051 /nfs/dbraw/zinc/86/50/51/558865051.db2.gz QFIMRBLJBIPHHW-QGZVFWFLSA-N 1 3 374.529 2.185 20 0 FEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)C1 ZINC000411270860 558865054 /nfs/dbraw/zinc/86/50/54/558865054.db2.gz QFIMRBLJBIPHHW-QGZVFWFLSA-N 1 3 374.529 2.185 20 0 FEADHO CN(C)[C@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000525383378 562247098 /nfs/dbraw/zinc/24/70/98/562247098.db2.gz INEQJELRRXMTRT-IFMALSPDSA-N 1 3 367.493 2.043 20 0 FEADHO CN(C)[C@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000525383378 562247099 /nfs/dbraw/zinc/24/70/99/562247099.db2.gz INEQJELRRXMTRT-IFMALSPDSA-N 1 3 367.493 2.043 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)[C@@H](C)C1 ZINC000411415862 558891255 /nfs/dbraw/zinc/89/12/55/558891255.db2.gz GWFDWBPKZYEVER-LPHOPBHVSA-N 1 3 374.529 2.184 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)[C@@H](C)C1 ZINC000411415862 558891256 /nfs/dbraw/zinc/89/12/56/558891256.db2.gz GWFDWBPKZYEVER-LPHOPBHVSA-N 1 3 374.529 2.184 20 0 FEADHO C[C@H](NCCC(=O)Nc1ccc(C(N)=O)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518698 558909121 /nfs/dbraw/zinc/90/91/21/558909121.db2.gz PXXLNRASXMPGFR-RDJZCZTQSA-N 1 3 372.513 2.357 20 0 FEADHO C[C@H](NCCC(=O)Nc1ccc(C(N)=O)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518698 558909122 /nfs/dbraw/zinc/90/91/22/558909122.db2.gz PXXLNRASXMPGFR-RDJZCZTQSA-N 1 3 372.513 2.357 20 0 FEADHO C[C@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000411518698 558909124 /nfs/dbraw/zinc/90/91/24/558909124.db2.gz PXXLNRASXMPGFR-RDJZCZTQSA-N 1 3 372.513 2.357 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000411716032 558949542 /nfs/dbraw/zinc/94/95/42/558949542.db2.gz DCWIDEQNPXXTFM-PMACEKPBSA-N 1 3 359.514 2.314 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCC(COC)CC1 ZINC000413775537 559129853 /nfs/dbraw/zinc/12/98/53/559129853.db2.gz VCQIEEZKJHYBGY-ACBHZAAOSA-N 1 3 368.566 2.249 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCC(COC)CC1 ZINC000413775537 559129854 /nfs/dbraw/zinc/12/98/54/559129854.db2.gz VCQIEEZKJHYBGY-ACBHZAAOSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000414179264 559151764 /nfs/dbraw/zinc/15/17/64/559151764.db2.gz AFGPSJACLSEFOU-HNNXBMFYSA-N 1 3 353.457 2.412 20 0 FEADHO C[C@H](CCCC(F)(F)F)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414207237 559152942 /nfs/dbraw/zinc/15/29/42/559152942.db2.gz ZJCURCWGGXHWFA-OAHLLOKOSA-N 1 3 351.457 2.494 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000414291951 559155031 /nfs/dbraw/zinc/15/50/31/559155031.db2.gz UOIVEDFZAAMBCD-INIZCTEOSA-N 1 3 359.493 2.435 20 0 FEADHO COC1([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000414308965 559155842 /nfs/dbraw/zinc/15/58/42/559155842.db2.gz QXQLJWODVHGJCC-GOSISDBHSA-N 1 3 362.514 2.187 20 0 FEADHO CC(C)Cc1ncc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)s1 ZINC000414482459 559167730 /nfs/dbraw/zinc/16/77/30/559167730.db2.gz LODISHLMGUOAIK-UHFFFAOYSA-N 1 3 366.575 2.228 20 0 FEADHO COc1ccc2cc(C[N@H+](C)C[C@H]3CCCN(C(=O)CN)C3)ccc2c1 ZINC000414681666 559179362 /nfs/dbraw/zinc/17/93/62/559179362.db2.gz PRBWYWFWHWHERJ-QGZVFWFLSA-N 1 3 355.482 2.478 20 0 FEADHO COc1ccc2cc(C[N@@H+](C)C[C@H]3CCCN(C(=O)CN)C3)ccc2c1 ZINC000414681666 559179363 /nfs/dbraw/zinc/17/93/63/559179363.db2.gz PRBWYWFWHWHERJ-QGZVFWFLSA-N 1 3 355.482 2.478 20 0 FEADHO C[N@H+](CCCOc1ccc(Cl)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414700225 559180794 /nfs/dbraw/zinc/18/07/94/559180794.db2.gz JGGRASWHIFJJTM-OAHLLOKOSA-N 1 3 353.894 2.238 20 0 FEADHO C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414700225 559180795 /nfs/dbraw/zinc/18/07/95/559180795.db2.gz JGGRASWHIFJJTM-OAHLLOKOSA-N 1 3 353.894 2.238 20 0 FEADHO CCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000414754524 559185150 /nfs/dbraw/zinc/18/51/50/559185150.db2.gz GGSJYEWYEBBXTA-QZTJIDSGSA-N 1 3 374.529 2.313 20 0 FEADHO CCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000414754524 559185151 /nfs/dbraw/zinc/18/51/51/559185151.db2.gz GGSJYEWYEBBXTA-QZTJIDSGSA-N 1 3 374.529 2.313 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)C1 ZINC000414760342 559185963 /nfs/dbraw/zinc/18/59/63/559185963.db2.gz YGVBBBJARZFSCU-HUUCEWRRSA-N 1 3 374.460 2.344 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)C1 ZINC000414760342 559185965 /nfs/dbraw/zinc/18/59/65/559185965.db2.gz YGVBBBJARZFSCU-HUUCEWRRSA-N 1 3 374.460 2.344 20 0 FEADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000414824923 559189742 /nfs/dbraw/zinc/18/97/42/559189742.db2.gz GIBNJLRHLQUIGN-GJZGRUSLSA-N 1 3 358.486 2.341 20 0 FEADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@H]1CCCNC1 ZINC000414824923 559189744 /nfs/dbraw/zinc/18/97/44/559189744.db2.gz GIBNJLRHLQUIGN-GJZGRUSLSA-N 1 3 358.486 2.341 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC2(N)CCCCCC2)CC1 ZINC000414864065 559191518 /nfs/dbraw/zinc/19/15/18/559191518.db2.gz YSVLKZJTFBGNJW-MRXNPFEDSA-N 1 3 367.534 2.208 20 0 FEADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000527099098 562276404 /nfs/dbraw/zinc/27/64/04/562276404.db2.gz JNILYZIRYIFXNX-NRFANRHFSA-N 1 3 370.545 2.335 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000415084676 559204532 /nfs/dbraw/zinc/20/45/32/559204532.db2.gz PFLAUCMVRMUWST-BLLLJJGKSA-N 1 3 366.303 2.223 20 0 FEADHO COc1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc(OC)c1OC ZINC000415102034 559205389 /nfs/dbraw/zinc/20/53/89/559205389.db2.gz CCTMCAHGUIAAID-APWZRJJASA-N 1 3 364.486 2.431 20 0 FEADHO CN(C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415111119 559205739 /nfs/dbraw/zinc/20/57/39/559205739.db2.gz OHIPNYZYZRBLCW-UHFFFAOYSA-N 1 3 360.502 2.054 20 0 FEADHO CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415236155 559217191 /nfs/dbraw/zinc/21/71/91/559217191.db2.gz XRRTYKHIJUQREZ-UHFFFAOYSA-N 1 3 360.502 2.069 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000415251645 559218492 /nfs/dbraw/zinc/21/84/92/559218492.db2.gz FRHGMRMHVRIBHL-SFHVURJKSA-N 1 3 374.529 2.361 20 0 FEADHO Cc1cc(NC(=O)N[C@](C)(C[NH3+])CC(C)C)n(C2CCN(C)CC2)n1 ZINC000415253801 559218721 /nfs/dbraw/zinc/21/87/21/559218721.db2.gz QZHKXDQZULRXEW-SFHVURJKSA-N 1 3 350.511 2.343 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])c2)CC1 ZINC000415497591 559243604 /nfs/dbraw/zinc/24/36/04/559243604.db2.gz IFOUCNGWJUBZOE-QFBILLFUSA-N 1 3 359.518 2.468 20 0 FEADHO [NH3+]Cc1cc(NC(=O)NC[C@@H]2CCCN2CCCO)cc(C(F)(F)F)c1 ZINC000415967919 559285637 /nfs/dbraw/zinc/28/56/37/559285637.db2.gz IJQJTJKOGYXJGQ-HNNXBMFYSA-N 1 3 374.407 2.132 20 0 FEADHO C[C@H]1CN(CC2CCN(C(=O)Nc3ccc(C[NH3+])cc3)CC2)C[C@H](C)O1 ZINC000415980934 559286706 /nfs/dbraw/zinc/28/67/06/559286706.db2.gz UCPJTJCXYZGGIO-HOTGVXAUSA-N 1 3 360.502 2.498 20 0 FEADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000415999340 559288337 /nfs/dbraw/zinc/28/83/37/559288337.db2.gz VXRQBDJZAUUZCH-CABCVRRESA-N 1 3 360.424 2.431 20 0 FEADHO CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416008084 559288840 /nfs/dbraw/zinc/28/88/40/559288840.db2.gz NKSFMXDETAQRIL-HUUCEWRRSA-N 1 3 358.408 2.182 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416227214 559299807 /nfs/dbraw/zinc/29/98/07/559299807.db2.gz WJZLBBYQCSOKNA-FXAWDEMLSA-N 1 3 359.514 2.391 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000416827108 559333941 /nfs/dbraw/zinc/33/39/41/559333941.db2.gz QTSZZAYMVSEBCD-IEZWGBDMSA-N 1 3 360.502 2.259 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NCC[C@@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000416827071 559334084 /nfs/dbraw/zinc/33/40/84/559334084.db2.gz QRJHTZBRIWJFBP-QFBILLFUSA-N 1 3 360.502 2.131 20 0 FEADHO COc1cccc([C@H](CNC(=O)NC[C@@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000416840521 559334606 /nfs/dbraw/zinc/33/46/06/559334606.db2.gz FQYNJTIPINXMDG-APWZRJJASA-N 1 3 360.502 2.131 20 0 FEADHO COc1cccc([C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)N2CCCC2)c1 ZINC000416842788 559334863 /nfs/dbraw/zinc/33/48/63/559334863.db2.gz JZUDEBFONIRLRI-HOTGVXAUSA-N 1 3 370.444 2.114 20 0 FEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CNCCC1(F)F ZINC000416888961 559336721 /nfs/dbraw/zinc/33/67/21/559336721.db2.gz JSAIIRCZXMXZRJ-MRXNPFEDSA-N 1 3 354.445 2.325 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1cccc(OC)c1 ZINC000416903535 559337389 /nfs/dbraw/zinc/33/73/89/559337389.db2.gz CHKOYYKYJADPLO-GPMSIDNRSA-N 1 3 362.518 2.457 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(OC)c1 ZINC000416919287 559338286 /nfs/dbraw/zinc/33/82/86/559338286.db2.gz JTIPMBGYNZIUFE-WSTZPKSXSA-N 1 3 374.529 2.329 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000416975909 559341415 /nfs/dbraw/zinc/34/14/15/559341415.db2.gz NJZHQLNPNPVRGU-MOPGFXCFSA-N 1 3 356.514 2.210 20 0 FEADHO CC1CCN(CCNC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC1 ZINC000417019239 559343999 /nfs/dbraw/zinc/34/39/99/559343999.db2.gz QUHCRYXZNXCHCQ-MOPGFXCFSA-N 1 3 362.493 2.384 20 0 FEADHO C[C@H](CCC[NH3+])NC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417158853 559350530 /nfs/dbraw/zinc/35/05/30/559350530.db2.gz WKJYLJOBNPRIDR-GOSISDBHSA-N 1 3 361.534 2.015 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)N2CCCC2)cc1 ZINC000417354475 559358876 /nfs/dbraw/zinc/35/88/76/559358876.db2.gz LVTFWDLESUAERW-HZPDHXFCSA-N 1 3 354.445 2.414 20 0 FEADHO C[C@H]1CN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@@H](C)CN1 ZINC000417388809 559360402 /nfs/dbraw/zinc/36/04/02/559360402.db2.gz WDKUKLZZMDSCEI-GJZGRUSLSA-N 1 3 350.532 2.352 20 0 FEADHO COCCCN1CCC(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000417443277 559362491 /nfs/dbraw/zinc/36/24/91/559362491.db2.gz XVJFLGRZDCSRQA-PKOBYXMFSA-N 1 3 366.550 2.051 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000417515728 559365486 /nfs/dbraw/zinc/36/54/86/559365486.db2.gz LWAUMEVTFCREKP-OALUTQOASA-N 1 3 362.518 2.219 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N1CCC(C[NH3+])CC1)c1ccccc1 ZINC000417515279 559365631 /nfs/dbraw/zinc/36/56/31/559365631.db2.gz LGLOJLIKLIOHEI-LJQANCHMSA-N 1 3 362.518 2.076 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000417517625 559365661 /nfs/dbraw/zinc/36/56/61/559365661.db2.gz QXTRZUHNVNXZSQ-NEWSRXKRSA-N 1 3 362.518 2.075 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000417517627 559365800 /nfs/dbraw/zinc/36/58/00/559365800.db2.gz QXTRZUHNVNXZSQ-QRQLOZEOSA-N 1 3 362.518 2.075 20 0 FEADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417596995 559368807 /nfs/dbraw/zinc/36/88/07/559368807.db2.gz RSPVDSGKKSXPOS-FUHWJXTLSA-N 1 3 360.502 2.040 20 0 FEADHO COC[C@]1(CNC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CCC[NH2+]1 ZINC000417689549 559372635 /nfs/dbraw/zinc/37/26/35/559372635.db2.gz KKAQPUMSXBPITN-LAUBAEHRSA-N 1 3 374.529 2.280 20 0 FEADHO CO[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)[C@H](C[NH3+])C1 ZINC000417826487 559377915 /nfs/dbraw/zinc/37/79/15/559377915.db2.gz OPHYYGBIXGWECC-IJXRJRJASA-N 1 3 374.529 2.045 20 0 FEADHO C[C@H]1NCCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1C ZINC000417999334 559385894 /nfs/dbraw/zinc/38/58/94/559385894.db2.gz VOKHYXBPNRFZGY-QZTJIDSGSA-N 1 3 374.529 2.096 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418008649 559386308 /nfs/dbraw/zinc/38/63/08/559386308.db2.gz HHFVARQMIUYHIA-QFUCXCTJSA-N 1 3 356.514 2.292 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418014145 559386621 /nfs/dbraw/zinc/38/66/21/559386621.db2.gz NYKQPTPXORRNRZ-QRTFOUQQSA-N 1 3 356.514 2.431 20 0 FEADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418158388 559392355 /nfs/dbraw/zinc/39/23/55/559392355.db2.gz PRPMOWCIWKWPMH-CEXWTWQISA-N 1 3 356.514 2.148 20 0 FEADHO C[C@@H]1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)[C@@H](C[NH3+])C1 ZINC000418171095 559392864 /nfs/dbraw/zinc/39/28/64/559392864.db2.gz PNFVOJOPXTZWMC-SJLPKXTDSA-N 1 3 374.529 2.428 20 0 FEADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000418177990 559393051 /nfs/dbraw/zinc/39/30/51/559393051.db2.gz YFRSEXBCQYCZPS-WMZOPIPTSA-N 1 3 374.529 2.428 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)NC[C@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000418216235 559394390 /nfs/dbraw/zinc/39/43/90/559394390.db2.gz ZJRPTEFLLURSDR-ROUUACIJSA-N 1 3 350.507 2.359 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000418229489 559394730 /nfs/dbraw/zinc/39/47/30/559394730.db2.gz HDSIIKZBDZSIFX-LXZKKBNFSA-N 1 3 350.532 2.438 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418333184 559397921 /nfs/dbraw/zinc/39/79/21/559397921.db2.gz GLFKKJSWDHQKSQ-IEBWSBKVSA-N 1 3 359.518 2.077 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418516834 559404578 /nfs/dbraw/zinc/40/45/78/559404578.db2.gz KCWBACRHIILHOP-UHFFFAOYSA-N 1 3 350.482 2.289 20 0 FEADHO CN(C)[C@@H]1CCCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000418560078 559406171 /nfs/dbraw/zinc/40/61/71/559406171.db2.gz DAINHXVYHITXKW-RKVPGOIHSA-N 1 3 366.456 2.146 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418604936 559407468 /nfs/dbraw/zinc/40/74/68/559407468.db2.gz YCSFOKIVTYLLIR-QFUCXCTJSA-N 1 3 356.514 2.292 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418730641 559412906 /nfs/dbraw/zinc/41/29/06/559412906.db2.gz SQSDQNGIVQTPFN-NVXWUHKLSA-N 1 3 350.482 2.416 20 0 FEADHO CN(C)CC(C)(C)NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418737887 559413136 /nfs/dbraw/zinc/41/31/36/559413136.db2.gz WKBKXJUKHKPWFS-DOTOQJQBSA-N 1 3 350.482 2.158 20 0 FEADHO CN1CC[C@]2(CCN(C(=O)NC[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)C2)C1 ZINC000418738291 559413160 /nfs/dbraw/zinc/41/31/60/559413160.db2.gz WYDSCJFPJJIQQM-DSKINZAPSA-N 1 3 374.504 2.256 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)NCCC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000418750615 559414025 /nfs/dbraw/zinc/41/40/25/559414025.db2.gz OQPJFPZLFXXWTI-ZIFCJYIRSA-N 1 3 366.550 2.049 20 0 FEADHO CN(CCCOc1ccc(S(C)(=O)=O)cc1)CC[C@H]1CCC[NH2+]C1 ZINC000420299431 559479224 /nfs/dbraw/zinc/47/92/24/559479224.db2.gz GMZMQBGPSZBKST-MRXNPFEDSA-N 1 3 354.516 2.181 20 0 FEADHO CN(C)S(=O)(=O)c1ccc(CN(CCC[NH3+])CC2CCCC2)cc1 ZINC000420323545 559480555 /nfs/dbraw/zinc/48/05/55/559480555.db2.gz YOLZTLRQEJFAFH-UHFFFAOYSA-N 1 3 353.532 2.278 20 0 FEADHO CC(C)OCc1cccc(CNC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420334722 559481397 /nfs/dbraw/zinc/48/13/97/559481397.db2.gz LBVBKFSBNHPJBZ-BGYRXZFFSA-N 1 3 359.514 2.159 20 0 FEADHO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338837 559481679 /nfs/dbraw/zinc/48/16/79/559481679.db2.gz YCGRGQUGFCUTTD-YRXWBPOGSA-N 1 3 351.535 2.019 20 0 FEADHO CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420343353 559482069 /nfs/dbraw/zinc/48/20/69/559482069.db2.gz QSOVJAAFIHVDFE-USXIJHARSA-N 1 3 358.486 2.294 20 0 FEADHO COc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000420346052 559482090 /nfs/dbraw/zinc/48/20/90/559482090.db2.gz XHJMEXBVCVKTLW-XHSDSOJGSA-N 1 3 361.486 2.352 20 0 FEADHO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346510 559482343 /nfs/dbraw/zinc/48/23/43/559482343.db2.gz YMWPUZKPSLICKU-YWTNHNAXSA-N 1 3 357.498 2.336 20 0 FEADHO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420359468 559483053 /nfs/dbraw/zinc/48/30/53/559483053.db2.gz KRSZZSUHFTZAMY-MAUKXSAKSA-N 1 3 365.905 2.171 20 0 FEADHO COC(=O)c1cc2cc(CN3CCC[C@H](n4cc(C[NH3+])nn4)C3)ccc2o1 ZINC000420380307 559484059 /nfs/dbraw/zinc/48/40/59/559484059.db2.gz NSPLOCLYOKJQAT-INIZCTEOSA-N 1 3 369.425 2.107 20 0 FEADHO COC(=O)c1ccccc1OCCN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420383252 559484391 /nfs/dbraw/zinc/48/43/91/559484391.db2.gz FJYMBBBQLIAFOD-APWZRJJASA-N 1 3 362.470 2.070 20 0 FEADHO CC(=O)c1ccc(NC(=O)CCN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000420396664 559485385 /nfs/dbraw/zinc/48/53/85/559485385.db2.gz VVTWUYRZDZLODV-UYAOXDASSA-N 1 3 373.497 2.436 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)N(C)C[C@@H]3CCCN3C)CCCC2)CC1 ZINC000420787640 559504462 /nfs/dbraw/zinc/50/44/62/559504462.db2.gz KDCOVZHYJOUUNY-KRWDZBQOSA-N 1 3 366.550 2.146 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)NC3CCCCCC3)CC2)CC1 ZINC000421009908 559519193 /nfs/dbraw/zinc/51/91/93/559519193.db2.gz NYUVZBHRUMNPBA-UHFFFAOYSA-N 1 3 364.578 2.317 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)NC3CCCCCC3)CC2)CC1 ZINC000421009908 559519194 /nfs/dbraw/zinc/51/91/94/559519194.db2.gz NYUVZBHRUMNPBA-UHFFFAOYSA-N 1 3 364.578 2.317 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc(C)nc(C)c1 ZINC000422203533 559571271 /nfs/dbraw/zinc/57/12/71/559571271.db2.gz INKKMTLGXRSMIA-IBGZPJMESA-N 1 3 361.534 2.256 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc(C)nc(C)c1 ZINC000422203533 559571272 /nfs/dbraw/zinc/57/12/72/559571272.db2.gz INKKMTLGXRSMIA-IBGZPJMESA-N 1 3 361.534 2.256 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000422707440 559603782 /nfs/dbraw/zinc/60/37/82/559603782.db2.gz AAOOTROFBIZKCU-HIFRSBDPSA-N 1 3 359.561 2.038 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CCC[C@@H]2CN)s1 ZINC000422707440 559603783 /nfs/dbraw/zinc/60/37/83/559603783.db2.gz AAOOTROFBIZKCU-HIFRSBDPSA-N 1 3 359.561 2.038 20 0 FEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000422758306 559605776 /nfs/dbraw/zinc/60/57/76/559605776.db2.gz JHVKTPSXNQMBPM-IRXDYDNUSA-N 1 3 368.529 2.105 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422786308 559606700 /nfs/dbraw/zinc/60/67/00/559606700.db2.gz KTRZQDSAFSDBJD-GOEBONIOSA-N 1 3 371.572 2.182 20 0 FEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422786308 559606701 /nfs/dbraw/zinc/60/67/01/559606701.db2.gz KTRZQDSAFSDBJD-GOEBONIOSA-N 1 3 371.572 2.182 20 0 FEADHO CCN1CCN(c2ccc(CN[C@H](Cc3ccccc3)[C@H](C)[NH3+])cn2)CC1 ZINC000422874556 559609426 /nfs/dbraw/zinc/60/94/26/559609426.db2.gz AJSDYNUCLMPIDO-GHTZIAJQSA-N 1 3 367.541 2.272 20 0 FEADHO CCN1CCN(c2ccc(C[NH2+][C@H](Cc3ccccc3)[C@H](C)N)cn2)CC1 ZINC000422874556 559609427 /nfs/dbraw/zinc/60/94/27/559609427.db2.gz AJSDYNUCLMPIDO-GHTZIAJQSA-N 1 3 367.541 2.272 20 0 FEADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cnccc1N ZINC000422891262 559610084 /nfs/dbraw/zinc/61/00/84/559610084.db2.gz UZEFGASTKDWIEM-CRAIPNDOSA-N 1 3 367.497 2.042 20 0 FEADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cnccc1N ZINC000422891262 559610085 /nfs/dbraw/zinc/61/00/85/559610085.db2.gz UZEFGASTKDWIEM-CRAIPNDOSA-N 1 3 367.497 2.042 20 0 FEADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])C1 ZINC000422911501 559611060 /nfs/dbraw/zinc/61/10/60/559611060.db2.gz TXGHRHNFONIIMA-SLBVQIDZSA-N 1 3 353.894 2.269 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422918994 559611387 /nfs/dbraw/zinc/61/13/87/559611387.db2.gz JJBFHWKHACRYTN-XHVZSJERSA-N 1 3 367.799 2.475 20 0 FEADHO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@H](C)C[C@H](C)N)CC2 ZINC000422952015 559612658 /nfs/dbraw/zinc/61/26/58/559612658.db2.gz BGVJLUGKNKNNJM-LSDHHAIUSA-N 1 3 363.502 2.084 20 0 FEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000422963124 559613129 /nfs/dbraw/zinc/61/31/29/559613129.db2.gz HOYLEHAMBHXHOV-YSSFQJQWSA-N 1 3 354.498 2.135 20 0 FEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000423027455 559615601 /nfs/dbraw/zinc/61/56/01/559615601.db2.gz PADPVWCVSIPTDI-NRSPTQNISA-N 1 3 374.573 2.176 20 0 FEADHO COC[C@@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000423044666 559616217 /nfs/dbraw/zinc/61/62/17/559616217.db2.gz RCOWASWQDVUNBX-IAQYHMDHSA-N 1 3 360.285 2.442 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000423057271 559616899 /nfs/dbraw/zinc/61/68/99/559616899.db2.gz ZBGGHTYPGTWRFH-JSGCOSHPSA-N 1 3 359.392 2.154 20 0 FEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423099311 559618988 /nfs/dbraw/zinc/61/89/88/559618988.db2.gz LYXPVUCWCVZSEO-HIFRSBDPSA-N 1 3 359.923 2.116 20 0 FEADHO Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423112262 559619707 /nfs/dbraw/zinc/61/97/07/559619707.db2.gz RXGDAOURKPXHHH-HIFRSBDPSA-N 1 3 359.923 2.034 20 0 FEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000423150765 559620921 /nfs/dbraw/zinc/62/09/21/559620921.db2.gz CGWOIYOYXUFGAZ-MQIPJXDCSA-N 1 3 359.283 2.456 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000423150765 559620922 /nfs/dbraw/zinc/62/09/22/559620922.db2.gz CGWOIYOYXUFGAZ-MQIPJXDCSA-N 1 3 359.283 2.456 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc(N2CCNCC2)cn1 ZINC000423231480 559623304 /nfs/dbraw/zinc/62/33/04/559623304.db2.gz LGYPJAGWWLJNOY-YLJYHZDGSA-N 1 3 351.498 2.424 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(N2CCNCC2)cn1 ZINC000423231480 559623305 /nfs/dbraw/zinc/62/33/05/559623305.db2.gz LGYPJAGWWLJNOY-YLJYHZDGSA-N 1 3 351.498 2.424 20 0 FEADHO COC[C@@]1(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CC[NH2+]C1 ZINC000423353315 559626352 /nfs/dbraw/zinc/62/63/52/559626352.db2.gz LRRIOVUHWFXEAR-PZJWPPBQSA-N 1 3 359.514 2.202 20 0 FEADHO COc1cc2c(cc1F)CC[C@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423392321 559627694 /nfs/dbraw/zinc/62/76/94/559627694.db2.gz QCUKHJAZSFGKIY-ZBFHGGJFSA-N 1 3 361.383 2.247 20 0 FEADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(F)cc1N(C)C ZINC000423447665 559629417 /nfs/dbraw/zinc/62/94/17/559629417.db2.gz DJSGLYIHPVQFQE-DUXSXAKTSA-N 1 3 362.493 2.189 20 0 FEADHO COc1ccc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000423471853 559629798 /nfs/dbraw/zinc/62/97/98/559629798.db2.gz ZVATZFDWQVIGBM-OWZDWXTDSA-N 1 3 361.486 2.001 20 0 FEADHO CN(C)CCN(CC1CCCCC1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423766971 559638886 /nfs/dbraw/zinc/63/88/86/559638886.db2.gz VVSAFEDQKKJPSL-IBGZPJMESA-N 1 3 361.534 2.392 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423779404 559639104 /nfs/dbraw/zinc/63/91/04/559639104.db2.gz UVQPNJQQOLAAKH-MRXNPFEDSA-N 1 3 361.515 2.073 20 0 FEADHO C[C@@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000423988449 559649228 /nfs/dbraw/zinc/64/92/28/559649228.db2.gz ATSKNYIXHZBDEP-RTBURBONSA-N 1 3 358.530 2.032 20 0 FEADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)N1CCCCC1 ZINC000424008444 559650760 /nfs/dbraw/zinc/65/07/60/559650760.db2.gz WYAIACDNMBLGFB-QRVBRYPASA-N 1 3 351.535 2.242 20 0 FEADHO C[C@H]1CC2(CN1CC(=O)NCc1ccc(OC(F)F)cc1)CC[NH2+]CC2 ZINC000424286668 559660699 /nfs/dbraw/zinc/66/06/99/559660699.db2.gz HQTYZYRFAYHYQY-AWEZNQCLSA-N 1 3 367.440 2.368 20 0 FEADHO C[C@@H]1CC2(CN1CC(=O)NCCCOC1CCCCC1)CC[NH2+]CC2 ZINC000424297570 559661116 /nfs/dbraw/zinc/66/11/16/559661116.db2.gz SXWZHBKXGIBZEU-QGZVFWFLSA-N 1 3 351.535 2.306 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000424428648 559664299 /nfs/dbraw/zinc/66/42/99/559664299.db2.gz UQKDTQZZMVWVDK-INIZCTEOSA-N 1 3 359.518 2.086 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc(N(C)C)n2C)CC1 ZINC000425335361 559697205 /nfs/dbraw/zinc/69/72/05/559697205.db2.gz IODCZRANQSBNKD-UHFFFAOYSA-N 1 3 351.539 2.057 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc(N(C)C)n2C)CC1 ZINC000425335361 559697206 /nfs/dbraw/zinc/69/72/06/559697206.db2.gz IODCZRANQSBNKD-UHFFFAOYSA-N 1 3 351.539 2.057 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCCN1C ZINC000425499967 559705965 /nfs/dbraw/zinc/70/59/65/559705965.db2.gz AEHSZOHLAOYDRW-GSEOLPGOSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCCN1C ZINC000425499967 559705966 /nfs/dbraw/zinc/70/59/66/559705966.db2.gz AEHSZOHLAOYDRW-GSEOLPGOSA-N 1 3 356.514 2.385 20 0 FEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000428971269 559787007 /nfs/dbraw/zinc/78/70/07/559787007.db2.gz VVOITVYSYYUETK-LAUBAEHRSA-N 1 3 361.530 2.249 20 0 FEADHO CCO[C@H]1C[C@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)C1(CC)CC ZINC000429332620 559796330 /nfs/dbraw/zinc/79/63/30/559796330.db2.gz HRACXKYUUSJHOF-ROUUACIJSA-N 1 3 351.535 2.303 20 0 FEADHO COc1cc(NC(=O)CCN2CCC[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1OC ZINC000430548166 559822262 /nfs/dbraw/zinc/82/22/62/559822262.db2.gz GHAKPDGBULKXOV-KGLIPLIRSA-N 1 3 365.474 2.100 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000430556307 559822405 /nfs/dbraw/zinc/82/24/05/559822405.db2.gz YPKKSVJMIUOQLR-PZJWPPBQSA-N 1 3 372.557 2.089 20 0 FEADHO C[C@H](CC(=O)NCCc1ccc(OCCN(C)C)cc1)C1CC[NH2+]CC1 ZINC000430910095 559830015 /nfs/dbraw/zinc/83/00/15/559830015.db2.gz RICFEFVMJVDNOR-QGZVFWFLSA-N 1 3 361.530 2.312 20 0 FEADHO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N2CCC([C@H](C)[NH3+])CC2)c1 ZINC000430953845 559831325 /nfs/dbraw/zinc/83/13/25/559831325.db2.gz CWEVJBSLSPXWDA-KKUMJFAQSA-N 1 3 363.502 2.329 20 0 FEADHO C[C@@H](OCCCNC(=O)CN1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000431018118 559832383 /nfs/dbraw/zinc/83/23/83/559832383.db2.gz UMBUPOGOFPMIDA-GOSISDBHSA-N 1 3 359.514 2.346 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NCCNc2cc[nH+]cc2)CCN1Cc1ccccc1 ZINC000431693222 559844174 /nfs/dbraw/zinc/84/41/74/559844174.db2.gz RWAOYIWZQOWCNN-XLIONFOSSA-N 1 3 367.497 2.268 20 0 FEADHO CN1CC=C(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000527354856 562286297 /nfs/dbraw/zinc/28/62/97/562286297.db2.gz XFNJQUJGDKJLGZ-UHFFFAOYSA-N 1 3 353.466 2.445 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NCCCCC[NH+]2CCCCC2)CCCO1 ZINC000433400688 559880078 /nfs/dbraw/zinc/88/00/78/559880078.db2.gz OYTJETFPZFUEMA-LJQANCHMSA-N 1 3 368.566 2.443 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCCO1 ZINC000433404292 559880158 /nfs/dbraw/zinc/88/01/58/559880158.db2.gz WDXNCDNMWQVJNO-IAGOWNOFSA-N 1 3 356.555 2.153 20 0 FEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433405534 559880333 /nfs/dbraw/zinc/88/03/33/559880333.db2.gz GSSVHUMEXOICIE-ZWKOTPCHSA-N 1 3 354.539 2.051 20 0 FEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433405534 559880334 /nfs/dbraw/zinc/88/03/34/559880334.db2.gz GSSVHUMEXOICIE-ZWKOTPCHSA-N 1 3 354.539 2.051 20 0 FEADHO CC(C)[NH+](CCN(C)C(=O)NCCCN1CCCO[C@H](C)C1)C(C)C ZINC000433455705 559881834 /nfs/dbraw/zinc/88/18/34/559881834.db2.gz SPDRQGFXGDWURI-GOSISDBHSA-N 1 3 356.555 2.248 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC(=O)N(CCN(C)C)C2CCCC2)CCCO1 ZINC000433456353 559881905 /nfs/dbraw/zinc/88/19/05/559881905.db2.gz VTQNBBRCGHOVHP-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC(=O)N(CCN(C)C)C2CCCC2)CCCO1 ZINC000433456353 559881906 /nfs/dbraw/zinc/88/19/06/559881906.db2.gz VTQNBBRCGHOVHP-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433607650 559885044 /nfs/dbraw/zinc/88/50/44/559885044.db2.gz IHSNLSPDNPPZQW-LJQANCHMSA-N 1 3 374.529 2.443 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000433882467 559889618 /nfs/dbraw/zinc/88/96/18/559889618.db2.gz AELAAABNVXULOI-GOSISDBHSA-N 1 3 365.543 2.245 20 0 FEADHO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)CC1 ZINC000434442168 559900460 /nfs/dbraw/zinc/90/04/60/559900460.db2.gz VUCCWMWBPRYGKL-UHFFFAOYSA-N 1 3 372.557 2.379 20 0 FEADHO C[NH2+]CCC1CCN(Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000435381140 559921944 /nfs/dbraw/zinc/92/19/44/559921944.db2.gz ROWYILVNRPIOOA-UHFFFAOYSA-N 1 3 359.514 2.413 20 0 FEADHO Cc1cc(NC(=O)CCN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)no1 ZINC000435698708 559928381 /nfs/dbraw/zinc/92/83/81/559928381.db2.gz XBDISMYVXRKUFD-INIZCTEOSA-N 1 3 374.510 3.017 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436286618 559939216 /nfs/dbraw/zinc/93/92/16/559939216.db2.gz BQDSOQMSZSVIHA-VQIMIIECSA-N 1 3 351.560 2.244 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000438869242 559984696 /nfs/dbraw/zinc/98/46/96/559984696.db2.gz RMGNEIQBZKNNGD-WMZOPIPTSA-N 1 3 356.580 2.233 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000438869242 559984697 /nfs/dbraw/zinc/98/46/97/559984697.db2.gz RMGNEIQBZKNNGD-WMZOPIPTSA-N 1 3 356.580 2.233 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(CCN(C)C)C(C)C)[C@@H](C)C1 ZINC000440247421 560007472 /nfs/dbraw/zinc/00/74/72/560007472.db2.gz ZRUWDHMYYKQEQW-ROUUACIJSA-N 1 3 356.555 2.105 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(CCN(C)C)C(C)C)[C@@H](C)C1 ZINC000440247421 560007473 /nfs/dbraw/zinc/00/74/73/560007473.db2.gz ZRUWDHMYYKQEQW-ROUUACIJSA-N 1 3 356.555 2.105 20 0 FEADHO CC(C)C[C@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)C(=O)NCCN(C)C ZINC000442836997 560059076 /nfs/dbraw/zinc/05/90/76/560059076.db2.gz JCPJGPGUCPSHFR-QRWLVFNGSA-N 1 3 356.514 2.317 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2CCN(C)C)C[C@H]1C ZINC000446049508 560138595 /nfs/dbraw/zinc/13/85/95/560138595.db2.gz AYFUHJWDFFROFA-SJLPKXTDSA-N 1 3 374.529 2.060 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2CCN(C)C)C[C@H]1C ZINC000446049508 560138596 /nfs/dbraw/zinc/13/85/96/560138596.db2.gz AYFUHJWDFFROFA-SJLPKXTDSA-N 1 3 374.529 2.060 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(F)c1F ZINC000446130470 560140416 /nfs/dbraw/zinc/14/04/16/560140416.db2.gz KHXMBNVBGQHIOE-MRXNPFEDSA-N 1 3 353.457 2.382 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(F)c1F ZINC000446130470 560140417 /nfs/dbraw/zinc/14/04/17/560140417.db2.gz KHXMBNVBGQHIOE-MRXNPFEDSA-N 1 3 353.457 2.382 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000446260303 560142964 /nfs/dbraw/zinc/14/29/64/560142964.db2.gz LWSSWXJFUNVCJA-WOIUINJBSA-N 1 3 371.525 2.431 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446364853 560144961 /nfs/dbraw/zinc/14/49/61/560144961.db2.gz VBAFXHSSJJPTLO-DBXWQHBBSA-N 1 3 365.562 2.393 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000447046385 560155550 /nfs/dbraw/zinc/15/55/50/560155550.db2.gz ZJUQOXBQKSPYGG-UHFFFAOYSA-N 1 3 359.518 2.029 20 0 FEADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCN2CCN(C)CC2)CC1 ZINC000449219574 560220594 /nfs/dbraw/zinc/22/05/94/560220594.db2.gz NSVPPOGQYPSAJQ-HXUWFJFHSA-N 1 3 358.574 2.309 20 0 FEADHO CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@H]1CCN2CCO[C@H]1C2 ZINC000449362645 560227009 /nfs/dbraw/zinc/22/70/09/560227009.db2.gz LLBLSISNCXPWOU-VXKWHMMOSA-N 1 3 372.557 2.122 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@](CO)(COC)C2)CC1 ZINC000449702417 560237429 /nfs/dbraw/zinc/23/74/29/560237429.db2.gz UMDSKLYQILZTCZ-NRFANRHFSA-N 1 3 361.530 2.049 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@](CO)(COC)C2)CC1 ZINC000449702417 560237430 /nfs/dbraw/zinc/23/74/30/560237430.db2.gz UMDSKLYQILZTCZ-NRFANRHFSA-N 1 3 361.530 2.049 20 0 FEADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCc2cscn2)CC1 ZINC000450266841 560256473 /nfs/dbraw/zinc/25/64/73/560256473.db2.gz UPINKVZHKZIBQM-UHFFFAOYSA-N 1 3 352.548 2.246 20 0 FEADHO CCN(CC)CC(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453025707 560381629 /nfs/dbraw/zinc/38/16/29/560381629.db2.gz PTKVZNRVCVOZMJ-UHFFFAOYSA-N 1 3 360.502 2.067 20 0 FEADHO C[C@@H](CO)N1CCCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455843261 560497116 /nfs/dbraw/zinc/49/71/16/560497116.db2.gz GCUASXAYBNYDLK-HNAYVOBHSA-N 1 3 360.502 2.156 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455944595 560501372 /nfs/dbraw/zinc/50/13/72/560501372.db2.gz VPLCKLVAGNFIPX-IEBWSBKVSA-N 1 3 360.502 2.468 20 0 FEADHO C[C@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)[C@@H](C)[C@H]1[NH3+] ZINC000457359303 560563760 /nfs/dbraw/zinc/56/37/60/560563760.db2.gz FTVYRPFBXNMUTC-WFXMLNOXSA-N 1 3 358.530 2.173 20 0 FEADHO CCC(CC)[C@@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)[NH+]1CCCC1 ZINC000457612226 560577798 /nfs/dbraw/zinc/57/77/98/560577798.db2.gz LDSXASFPZBNGGW-RTBURBONSA-N 1 3 368.566 2.033 20 0 FEADHO CN(C)C1(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)Cc2ccccc2C1 ZINC000458413664 560621127 /nfs/dbraw/zinc/62/11/27/560621127.db2.gz BYGKQIMYOZXWDF-NRFANRHFSA-N 1 3 370.541 2.213 20 0 FEADHO CN(C)C1(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)Cc2ccccc2C1 ZINC000458413664 560621128 /nfs/dbraw/zinc/62/11/28/560621128.db2.gz BYGKQIMYOZXWDF-NRFANRHFSA-N 1 3 370.541 2.213 20 0 FEADHO C[NH+](C)CCOCCNC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000458689437 560641011 /nfs/dbraw/zinc/64/10/11/560641011.db2.gz IMZRSVFNGWOBFI-UHFFFAOYSA-N 1 3 356.555 2.107 20 0 FEADHO CCn1ccnc1[C@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000459054474 560664332 /nfs/dbraw/zinc/66/43/32/560664332.db2.gz IKEGTZJJWNMPJR-DLBZAZTESA-N 1 3 364.538 2.022 20 0 FEADHO CCn1ccnc1[C@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000459054474 560664333 /nfs/dbraw/zinc/66/43/33/560664333.db2.gz IKEGTZJJWNMPJR-DLBZAZTESA-N 1 3 364.538 2.022 20 0 FEADHO C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000461092732 560761374 /nfs/dbraw/zinc/76/13/74/560761374.db2.gz QSKPYUVXONEOOD-JXFKEZNVSA-N 1 3 350.503 2.455 20 0 FEADHO CCC[NH+]1CCC(NC[C@@H](CO)Cc2cc(OC)cc(OC)c2)CC1 ZINC000462113849 560798013 /nfs/dbraw/zinc/79/80/13/560798013.db2.gz YCUHCNXCFVSPHK-KRWDZBQOSA-N 1 3 350.503 2.319 20 0 FEADHO CN(C)C1(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)Cc2ccccc2C1 ZINC000465694660 560871299 /nfs/dbraw/zinc/87/12/99/560871299.db2.gz YKWNMOUSSHNHOA-MOPGFXCFSA-N 1 3 356.514 2.012 20 0 FEADHO CN(C)C1(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)Cc2ccccc2C1 ZINC000465694660 560871300 /nfs/dbraw/zinc/87/13/00/560871300.db2.gz YKWNMOUSSHNHOA-MOPGFXCFSA-N 1 3 356.514 2.012 20 0 FEADHO COCCCN(C)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000465750239 560872017 /nfs/dbraw/zinc/87/20/17/560872017.db2.gz IMXLJXCRBDWKDY-IRXDYDNUSA-N 1 3 356.555 2.010 20 0 FEADHO CCN1CCC[C@@H]1CNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000465899756 560875465 /nfs/dbraw/zinc/87/54/65/560875465.db2.gz AFDSEDGVINGSFH-QGZVFWFLSA-N 1 3 366.550 2.194 20 0 FEADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000466010612 560878097 /nfs/dbraw/zinc/87/80/97/560878097.db2.gz MSNZKZAYBUCSFV-IBGZPJMESA-N 1 3 358.530 2.211 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000466011071 560878174 /nfs/dbraw/zinc/87/81/74/560878174.db2.gz BQBGPTRCOCVOER-IRXDYDNUSA-N 1 3 356.555 2.105 20 0 FEADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000466218062 560882180 /nfs/dbraw/zinc/88/21/80/560882180.db2.gz PMGWDRURSMQFJN-IMFGXOCKSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000466218062 560882181 /nfs/dbraw/zinc/88/21/81/560882181.db2.gz PMGWDRURSMQFJN-IMFGXOCKSA-N 1 3 356.514 2.433 20 0 FEADHO OCCN1CCN(CCCC[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000466459001 560887209 /nfs/dbraw/zinc/88/72/09/560887209.db2.gz YHMGURMSVFHLTD-UHFFFAOYSA-N 1 3 365.484 2.335 20 0 FEADHO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000467290755 560908012 /nfs/dbraw/zinc/90/80/12/560908012.db2.gz JPWPXWPYUQNEII-FGTMMUONSA-N 1 3 367.534 2.125 20 0 FEADHO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000467290755 560908013 /nfs/dbraw/zinc/90/80/13/560908013.db2.gz JPWPXWPYUQNEII-FGTMMUONSA-N 1 3 367.534 2.125 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)c1 ZINC000467525961 560911926 /nfs/dbraw/zinc/91/19/26/560911926.db2.gz RVLYKPMVLVIYOO-SFTDATJTSA-N 1 3 370.541 2.250 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC000467525961 560911927 /nfs/dbraw/zinc/91/19/27/560911927.db2.gz RVLYKPMVLVIYOO-SFTDATJTSA-N 1 3 370.541 2.250 20 0 FEADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000468088154 560922266 /nfs/dbraw/zinc/92/22/66/560922266.db2.gz MBFBECKWVANLKR-HKUYNNGSSA-N 1 3 358.530 2.493 20 0 FEADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000468088154 560922267 /nfs/dbraw/zinc/92/22/67/560922267.db2.gz MBFBECKWVANLKR-HKUYNNGSSA-N 1 3 358.530 2.493 20 0 FEADHO C[C@@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000468434708 560929854 /nfs/dbraw/zinc/92/98/54/560929854.db2.gz IKCIWNADSSHEQF-PMACEKPBSA-N 1 3 372.557 2.435 20 0 FEADHO C[C@@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000468434708 560929855 /nfs/dbraw/zinc/92/98/55/560929855.db2.gz IKCIWNADSSHEQF-PMACEKPBSA-N 1 3 372.557 2.435 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000469696973 560961797 /nfs/dbraw/zinc/96/17/97/560961797.db2.gz BQJSLTAUGJXFFU-RTBURBONSA-N 1 3 358.530 2.106 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000469696973 560961798 /nfs/dbraw/zinc/96/17/98/560961798.db2.gz BQJSLTAUGJXFFU-RTBURBONSA-N 1 3 358.530 2.106 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000469859359 560966861 /nfs/dbraw/zinc/96/68/61/560966861.db2.gz OMUIOUUEFHVWHJ-LPHOPBHVSA-N 1 3 367.497 2.157 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2ccc3ncccc3c2)C1)[C@H]1CCC[NH2+]1 ZINC000469860373 560967027 /nfs/dbraw/zinc/96/70/27/560967027.db2.gz FIGPCJZSKCRPBI-YLJYHZDGSA-N 1 3 352.482 2.315 20 0 FEADHO Cc1ccc2[nH]c(C[NH2+]CCCCN3CCN(CCO)CC3)cc2c1C ZINC000472074741 561017337 /nfs/dbraw/zinc/01/73/37/561017337.db2.gz NIGGUFGVYYNZBL-UHFFFAOYSA-N 1 3 358.530 2.264 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1C1CCOCC1)c1ccccc1 ZINC000475147719 561091495 /nfs/dbraw/zinc/09/14/95/561091495.db2.gz HISMMQVGYRJEQI-VQTJNVASSA-N 1 3 359.514 2.297 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1C1CCOCC1)c1ccccc1 ZINC000475147719 561091496 /nfs/dbraw/zinc/09/14/96/561091496.db2.gz HISMMQVGYRJEQI-VQTJNVASSA-N 1 3 359.514 2.297 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000475974220 561108736 /nfs/dbraw/zinc/10/87/36/561108736.db2.gz RVNOPENDMIUJSG-ZWKOTPCHSA-N 1 3 368.566 2.295 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000475974220 561108737 /nfs/dbraw/zinc/10/87/37/561108737.db2.gz RVNOPENDMIUJSG-ZWKOTPCHSA-N 1 3 368.566 2.295 20 0 FEADHO CCC[NH+]1CCC(NC(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000476031496 561109732 /nfs/dbraw/zinc/10/97/32/561109732.db2.gz YRWNVCCWIZLGKU-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000476042755 561110050 /nfs/dbraw/zinc/11/00/50/561110050.db2.gz PMAXPYOPSJOSFS-IBGZPJMESA-N 1 3 368.566 2.295 20 0 FEADHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000476270264 561115021 /nfs/dbraw/zinc/11/50/21/561115021.db2.gz WVCPAWGRSWPYQX-WOJBJXKFSA-N 1 3 374.529 2.061 20 0 FEADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000476270264 561115022 /nfs/dbraw/zinc/11/50/22/561115022.db2.gz WVCPAWGRSWPYQX-WOJBJXKFSA-N 1 3 374.529 2.061 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000476482288 561120569 /nfs/dbraw/zinc/12/05/69/561120569.db2.gz COBRMFVNAHLHSZ-OALUTQOASA-N 1 3 368.566 2.297 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[NH2+]C34CCC4)c2)CC1 ZINC000528691161 562342352 /nfs/dbraw/zinc/34/23/52/562342352.db2.gz RNKXYWFIBANNOX-GOSISDBHSA-N 1 3 357.502 2.235 20 0 FEADHO Cc1ccc(Br)cc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530642032 562418711 /nfs/dbraw/zinc/41/87/11/562418711.db2.gz HZJUYZVMDLENLA-UHFFFAOYSA-N 1 3 356.308 2.323 20 0 FEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530815820 562424822 /nfs/dbraw/zinc/42/48/22/562424822.db2.gz PQAZLZACPYOYLI-LVCYWYKZSA-N 1 3 359.514 2.003 20 0 FEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530815820 562424823 /nfs/dbraw/zinc/42/48/23/562424823.db2.gz PQAZLZACPYOYLI-LVCYWYKZSA-N 1 3 359.514 2.003 20 0 FEADHO C[NH+](C)[C@@H](CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000531049422 562433171 /nfs/dbraw/zinc/43/31/71/562433171.db2.gz DGKCGGQUSCRUEK-RBBKRZOGSA-N 1 3 373.541 2.250 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000531118776 562435279 /nfs/dbraw/zinc/43/52/79/562435279.db2.gz BBCBJDRKYRZESP-UHFFFAOYSA-N 1 3 361.534 2.027 20 0 FEADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000531287554 562440720 /nfs/dbraw/zinc/44/07/20/562440720.db2.gz DZFFKPCOCFLXNA-JOCHJYFZSA-N 1 3 373.541 2.202 20 0 FEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000531287554 562440721 /nfs/dbraw/zinc/44/07/21/562440721.db2.gz DZFFKPCOCFLXNA-JOCHJYFZSA-N 1 3 373.541 2.202 20 0 FEADHO CN1CCN(CCCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000533122992 562499289 /nfs/dbraw/zinc/49/92/89/562499289.db2.gz LHFSRIKNLFIZHY-OAQYLSRUSA-N 1 3 353.514 2.378 20 0 FEADHO C[NH+]1CCC([C@@H]2CCN([C@H]3CC(=O)N(CCc4ccccc4)C3=O)C2)CC1 ZINC000533684170 562516029 /nfs/dbraw/zinc/51/60/29/562516029.db2.gz HAMCDEZOINUDFG-UXHICEINSA-N 1 3 369.509 2.020 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NCCNC(=O)c2ccccc2F)[C@@H](C)C1 ZINC000536854562 562581450 /nfs/dbraw/zinc/58/14/50/562581450.db2.gz YMWKBBTTXNTWTL-QFBILLFUSA-N 1 3 365.493 2.282 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NCCNC(=O)c2ccccc2F)[C@@H](C)C1 ZINC000536854562 562581451 /nfs/dbraw/zinc/58/14/51/562581451.db2.gz YMWKBBTTXNTWTL-QFBILLFUSA-N 1 3 365.493 2.282 20 0 FEADHO CC(C)CN1CCC([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000556053563 674386317 /nfs/dbraw/zinc/38/63/17/674386317.db2.gz UYLASQDQNIQROC-IBGZPJMESA-N 1 3 365.543 2.421 20 0 FEADHO CN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CN2CCC1CC2 ZINC000556062121 674386830 /nfs/dbraw/zinc/38/68/30/674386830.db2.gz MPIVIGHBEDSUBA-KFWWJZLASA-N 1 3 361.452 2.448 20 0 FEADHO CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H]1CN2CCC1CC2 ZINC000556062121 674386833 /nfs/dbraw/zinc/38/68/33/674386833.db2.gz MPIVIGHBEDSUBA-KFWWJZLASA-N 1 3 361.452 2.448 20 0 FEADHO COC(=O)c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)n1C ZINC000602027635 567904317 /nfs/dbraw/zinc/90/43/17/567904317.db2.gz GXHXFYIRCSXHMI-UHFFFAOYSA-N 1 3 356.470 2.209 20 0 FEADHO COC(=O)c1cc(CN2CCC3(C2)CC[NH+](C)CC3)cc(C(=O)OC)c1 ZINC000602876104 568010159 /nfs/dbraw/zinc/01/01/59/568010159.db2.gz DQRUJHUYMDRMNC-UHFFFAOYSA-N 1 3 360.454 2.178 20 0 FEADHO Cn1ccnc1COc1ccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000563135599 568266784 /nfs/dbraw/zinc/26/67/84/568266784.db2.gz NWWUKTQOQABOOV-SFHVURJKSA-N 1 3 370.497 2.186 20 0 FEADHO C[C@H]([NH2+]CCSCc1ccccc1-c1nnn[n-]1)C1CC[NH+](C)CC1 ZINC000820427578 607019695 /nfs/dbraw/zinc/01/96/95/607019695.db2.gz TYJPBPCKBUOATO-AWEZNQCLSA-N 1 3 360.531 2.420 20 0 FEADHO C[C@H]([NH2+]CCSCc1ccccc1-c1nn[n-]n1)C1CC[NH+](C)CC1 ZINC000820427578 607019696 /nfs/dbraw/zinc/01/96/96/607019696.db2.gz TYJPBPCKBUOATO-AWEZNQCLSA-N 1 3 360.531 2.420 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccnc3Cl)CC2)CC1 ZINC000051235969 670293668 /nfs/dbraw/zinc/29/36/68/670293668.db2.gz XIMIZAPUXLOWKA-UHFFFAOYSA-N 1 3 351.882 2.415 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)OC[C@@H]3C)CC2)CC1 ZINC000569257301 670533870 /nfs/dbraw/zinc/53/38/70/670533870.db2.gz TZCJYXIHYNPKSV-INIZCTEOSA-N 1 3 351.535 2.209 20 0 FEADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H](O)CC(F)(F)F)cc2)CC1 ZINC000566105438 675181108 /nfs/dbraw/zinc/18/11/08/675181108.db2.gz JYEJEARBQHOWLI-QGZVFWFLSA-N 1 3 359.436 2.227 20 0 FEADHO Cc1cc(C)cc(OC[C@@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000574151125 671208404 /nfs/dbraw/zinc/20/84/04/671208404.db2.gz NNINYYRMCQVXAC-MOPGFXCFSA-N 1 3 350.503 2.134 20 0 FEADHO Cc1cc(C)cc(OC[C@@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000574151125 671208405 /nfs/dbraw/zinc/20/84/05/671208405.db2.gz NNINYYRMCQVXAC-MOPGFXCFSA-N 1 3 350.503 2.134 20 0 FEADHO CC[C@H]1C[C@@H](NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCO1 ZINC000579732451 671757050 /nfs/dbraw/zinc/75/70/50/671757050.db2.gz UZSRYPSAAKKGEY-HKUYNNGSSA-N 1 3 351.535 2.257 20 0 FEADHO CC1CCN([C@@H](CNC(=O)CCOC2C[NH2+]C2)c2cccs2)CC1 ZINC000581999821 671957461 /nfs/dbraw/zinc/95/74/61/671957461.db2.gz JSVFLVNVOWZRDG-INIZCTEOSA-N 1 3 351.516 2.016 20 0 FEADHO CC[NH2+]CCCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000582595809 672016538 /nfs/dbraw/zinc/01/65/38/672016538.db2.gz ZDEPYDIHDRXKKZ-UHFFFAOYSA-N 1 3 354.539 2.099 20 0 FEADHO CCOC(=O)CC[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192776598 672701369 /nfs/dbraw/zinc/70/13/69/672701369.db2.gz OVQOUVFPLQKCTG-LJQANCHMSA-N 1 3 353.551 2.458 20 0 FEADHO CCOC(=O)CC[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192776598 672701373 /nfs/dbraw/zinc/70/13/73/672701373.db2.gz OVQOUVFPLQKCTG-LJQANCHMSA-N 1 3 353.551 2.458 20 0 FEADHO CCOC(=O)C1CCC(O)(C[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000591749796 672707582 /nfs/dbraw/zinc/70/75/82/672707582.db2.gz QRPKQQWVBFTFQO-UHFFFAOYSA-N 1 3 352.519 2.467 20 0 FEADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000700802374 673056319 /nfs/dbraw/zinc/05/63/19/673056319.db2.gz IFXIJCCIZKXSQY-BBWFWOEESA-N 1 3 355.523 2.332 20 0 FEADHO CC[NH+](CC)CCSCC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000595965731 673344391 /nfs/dbraw/zinc/34/43/91/673344391.db2.gz JBIKOKWQJLGFHY-KRWDZBQOSA-N 1 3 351.516 2.361 20 0 FEADHO CCOC(=O)c1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000597177191 673454088 /nfs/dbraw/zinc/45/40/88/673454088.db2.gz MTRAUVVSLZKNJU-UHFFFAOYSA-N 1 3 350.459 2.437 20 0 FEADHO C[NH+](C)CC1(CNC(=O)CC2(N3CCOCC3)CCCC2)CCCC1 ZINC000546135904 673793747 /nfs/dbraw/zinc/79/37/47/673793747.db2.gz GPPHVRZARFOVPK-UHFFFAOYSA-N 1 3 351.535 2.260 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCCCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000566296368 675201744 /nfs/dbraw/zinc/20/17/44/675201744.db2.gz ISNBSZSDSUAJND-LMMKCTJWSA-N 1 3 351.535 2.257 20 0 FEADHO COCC[N@H+](C)CCCNC[C@H](O)c1ccc(F)c(Br)c1 ZINC000818953518 675245953 /nfs/dbraw/zinc/24/59/53/675245953.db2.gz JPEGNDFONKFOIO-HNNXBMFYSA-N 1 3 363.271 2.180 20 0 FEADHO COCC[N@@H+](C)CCCNC[C@H](O)c1ccc(F)c(Br)c1 ZINC000818953518 675245955 /nfs/dbraw/zinc/24/59/55/675245955.db2.gz JPEGNDFONKFOIO-HNNXBMFYSA-N 1 3 363.271 2.180 20 0 FEADHO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000819135675 675263921 /nfs/dbraw/zinc/26/39/21/675263921.db2.gz YKWLVZSOCWIKFP-LJQANCHMSA-N 1 3 355.523 2.259 20 0 FEADHO CCO[C@H](C)c1nc(CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000568396457 675371070 /nfs/dbraw/zinc/37/10/70/675371070.db2.gz JEUZVQIGMDZYRT-CVEARBPZSA-N 1 3 352.548 2.358 20 0 FEADHO C[NH+](C)C[C@@H]1CCN(C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000822621277 675496420 /nfs/dbraw/zinc/49/64/20/675496420.db2.gz HPRCZWXSWSVHJR-QFBILLFUSA-N 1 3 355.523 2.022 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000617503509 676288427 /nfs/dbraw/zinc/28/84/27/676288427.db2.gz MLVINXOQURVFHY-LBPRGKRZSA-N 1 3 355.866 2.071 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000617503509 676288429 /nfs/dbraw/zinc/28/84/29/676288429.db2.gz MLVINXOQURVFHY-LBPRGKRZSA-N 1 3 355.866 2.071 20 0 FEADHO O=C(CC[NH2+]C[C@H](O)CN1CCCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000629580488 676860791 /nfs/dbraw/zinc/86/07/91/676860791.db2.gz SBBUJMYXRDEVAW-HNNXBMFYSA-N 1 3 360.285 2.368 20 0 FEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(S(N)(=O)=O)cc1 ZINC000639171839 677155799 /nfs/dbraw/zinc/15/57/99/677155799.db2.gz DPWGUXDBWRGWSX-UHFFFAOYSA-N 1 3 361.511 2.418 20 0 FEADHO C[NH+]1CCC2(CCN(Cc3ccc(S(=O)(=O)NC4CC4)cc3)C2)CC1 ZINC000639756506 677165294 /nfs/dbraw/zinc/16/52/94/677165294.db2.gz WFIDSSLJMGHZSR-UHFFFAOYSA-N 1 3 363.527 2.045 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641789973 677215847 /nfs/dbraw/zinc/21/58/47/677215847.db2.gz CHRNMMOVBMGSTI-GOSISDBHSA-N 1 3 354.539 2.005 20 0 FEADHO CC1CCN([C@@H](CNC(=O)COC2(C)C[NH2+]C2)c2cccs2)CC1 ZINC000649278171 677328656 /nfs/dbraw/zinc/32/86/56/677328656.db2.gz QNBCIMVDQWLKCD-HNNXBMFYSA-N 1 3 351.516 2.016 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652242484 677476948 /nfs/dbraw/zinc/47/69/48/677476948.db2.gz WOQUCKZQMFCWRK-UHFFFAOYSA-N 1 3 354.445 2.167 20 0 FEADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H]1CCCOC1 ZINC000655164754 677626828 /nfs/dbraw/zinc/62/68/28/677626828.db2.gz FUUBQBMUEMYFEI-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000657034932 677919134 /nfs/dbraw/zinc/91/91/34/677919134.db2.gz VDZDPUJNTLIGHS-MRXNPFEDSA-N 1 3 353.532 2.147 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000657034932 677919138 /nfs/dbraw/zinc/91/91/38/677919138.db2.gz VDZDPUJNTLIGHS-MRXNPFEDSA-N 1 3 353.532 2.147 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000658385530 678081029 /nfs/dbraw/zinc/08/10/29/678081029.db2.gz KDGJFLFYXJDTKT-GOSISDBHSA-N 1 3 365.543 2.149 20 0 FEADHO CN(CC(C)(C)[NH3+])C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000658989842 678143037 /nfs/dbraw/zinc/14/30/37/678143037.db2.gz FLADFTCEKDXPBX-UHFFFAOYSA-N 1 3 350.532 2.479 20 0 FEADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(C[C@@H]1COCCO1)C(F)(F)F ZINC000659296984 678163463 /nfs/dbraw/zinc/16/34/63/678163463.db2.gz JWWMDQZNIBTOKC-CABCVRRESA-N 1 3 358.360 2.255 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])N(C)C)cc1 ZINC000659492324 678183861 /nfs/dbraw/zinc/18/38/61/678183861.db2.gz DEANJIZMGXIQTG-QGZVFWFLSA-N 1 3 350.507 2.455 20 0 FEADHO C[NH2+]C[C@@H](C)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000659635132 678194274 /nfs/dbraw/zinc/19/42/74/678194274.db2.gz AVSLTYHXXNSQTM-CYBMUJFWSA-N 1 3 360.424 2.387 20 0 FEADHO COc1cccc(SCCN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000662270597 678598562 /nfs/dbraw/zinc/59/85/62/678598562.db2.gz ASASXWXTTBSSIO-OAHLLOKOSA-N 1 3 351.516 2.107 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662696538 678652308 /nfs/dbraw/zinc/65/23/08/678652308.db2.gz NHCANIZTZHAREK-FRFSOERESA-N 1 3 355.404 2.480 20 0 FEADHO N[C@H](CC(F)F)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662715714 678654194 /nfs/dbraw/zinc/65/41/94/678654194.db2.gz PCEDIVZQSOLLRT-HZPDHXFCSA-N 1 3 351.441 2.387 20 0 FEADHO N[C@H](CC(F)F)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662715714 678654198 /nfs/dbraw/zinc/65/41/98/678654198.db2.gz PCEDIVZQSOLLRT-HZPDHXFCSA-N 1 3 351.441 2.387 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1ccccc1Cl ZINC000663844639 678797119 /nfs/dbraw/zinc/79/71/19/678797119.db2.gz OGEQTVPKRATIGN-HNNXBMFYSA-N 1 3 354.926 2.454 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1ccccc1Cl ZINC000663844639 678797123 /nfs/dbraw/zinc/79/71/23/678797123.db2.gz OGEQTVPKRATIGN-HNNXBMFYSA-N 1 3 354.926 2.454 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1cc(F)cc(F)c1 ZINC000663882923 678802932 /nfs/dbraw/zinc/80/29/32/678802932.db2.gz PMLPQWJAZCQBIS-AWEZNQCLSA-N 1 3 356.461 2.079 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1cc(F)cc(F)c1 ZINC000663882923 678802934 /nfs/dbraw/zinc/80/29/34/678802934.db2.gz PMLPQWJAZCQBIS-AWEZNQCLSA-N 1 3 356.461 2.079 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000664023950 678822087 /nfs/dbraw/zinc/82/20/87/678822087.db2.gz ZHNJCTLJDJNNIT-KSSFIOAISA-N 1 3 350.482 2.384 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000664023950 678822091 /nfs/dbraw/zinc/82/20/91/678822091.db2.gz ZHNJCTLJDJNNIT-KSSFIOAISA-N 1 3 350.482 2.384 20 0 FEADHO CC(C)[C@H]1OCCC[C@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664330123 678864033 /nfs/dbraw/zinc/86/40/33/678864033.db2.gz ZGRDRTLAENLFAT-OKZBNKHCSA-N 1 3 356.555 2.009 20 0 FEADHO CC(C)[C@H]1OCCC[C@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664330123 678864036 /nfs/dbraw/zinc/86/40/36/678864036.db2.gz ZGRDRTLAENLFAT-OKZBNKHCSA-N 1 3 356.555 2.009 20 0 FEADHO C[C@H](CCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)[NH+](C)C ZINC000664782401 678923788 /nfs/dbraw/zinc/92/37/88/678923788.db2.gz JYALGEAGRFATQN-LRVUVFPRSA-N 1 3 364.456 2.431 20 0 FEADHO Cc1c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cnn1CC(C)C ZINC000666487586 679027800 /nfs/dbraw/zinc/02/78/00/679027800.db2.gz ZTFKKFOOIDSFQK-HNNXBMFYSA-N 1 3 352.527 2.241 20 0 FEADHO Cc1c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cnn1CC(C)C ZINC000666487586 679027802 /nfs/dbraw/zinc/02/78/02/679027802.db2.gz ZTFKKFOOIDSFQK-HNNXBMFYSA-N 1 3 352.527 2.241 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)N(C)C)cc1 ZINC000669592665 679244321 /nfs/dbraw/zinc/24/43/21/679244321.db2.gz CSHORJMIIJSHST-QGTPRVQTSA-N 1 3 362.543 2.405 20 0 FEADHO COC1CCC(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000672785168 679393359 /nfs/dbraw/zinc/39/33/59/679393359.db2.gz QCVPEFJUVVILQP-UHFFFAOYSA-N 1 3 351.535 2.258 20 0 FEADHO Brc1ccc2nc(CNCCCN3CC[NH2+]CC3)sc2c1 ZINC000841028483 680860510 /nfs/dbraw/zinc/86/05/10/680860510.db2.gz HGJMBIQFDGFDSW-UHFFFAOYSA-N 1 3 369.332 2.444 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cnc(Cl)s3)C2)CC[N@@H+]1C ZINC001020173848 680102416 /nfs/dbraw/zinc/10/24/16/680102416.db2.gz IDXIIAGAGQTZLZ-AUZPSNTRSA-N 1 3 356.923 2.264 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cnc(Cl)s3)C2)CC[N@H+]1C ZINC001020173848 680102422 /nfs/dbraw/zinc/10/24/22/680102422.db2.gz IDXIIAGAGQTZLZ-AUZPSNTRSA-N 1 3 356.923 2.264 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3c(C)nsc3C)C2)CC[N@@H+]1C ZINC001022109874 680197095 /nfs/dbraw/zinc/19/70/95/680197095.db2.gz VBZSXXXPEWLZLU-QSJFSLAZSA-N 1 3 350.532 2.227 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3c(C)nsc3C)C2)CC[N@H+]1C ZINC001022109874 680197099 /nfs/dbraw/zinc/19/70/99/680197099.db2.gz VBZSXXXPEWLZLU-QSJFSLAZSA-N 1 3 350.532 2.227 20 0 FEADHO Cc1nc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sc1C ZINC001023993556 680277343 /nfs/dbraw/zinc/27/73/43/680277343.db2.gz ISQBCZAAJGSJDX-DJIMGWMZSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1nc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sc1C ZINC001023993556 680277346 /nfs/dbraw/zinc/27/73/46/680277346.db2.gz ISQBCZAAJGSJDX-DJIMGWMZSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1ncc(CNC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001024966740 680308114 /nfs/dbraw/zinc/30/81/14/680308114.db2.gz BLHOCSBKYYAATL-FRFSOERESA-N 1 3 350.532 2.262 20 0 FEADHO Cc1ncc(CNC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001024966740 680308117 /nfs/dbraw/zinc/30/81/17/680308117.db2.gz BLHOCSBKYYAATL-FRFSOERESA-N 1 3 350.532 2.262 20 0 FEADHO CCCc1nc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001026853616 680351045 /nfs/dbraw/zinc/35/10/45/680351045.db2.gz LXLHHKDFIUVDNY-BFYDXBDKSA-N 1 3 364.559 2.374 20 0 FEADHO CCCc1nc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001026853616 680351050 /nfs/dbraw/zinc/35/10/50/680351050.db2.gz LXLHHKDFIUVDNY-BFYDXBDKSA-N 1 3 364.559 2.374 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3scnc3C)C2)CC[N@@H+]1C ZINC001028551908 680375586 /nfs/dbraw/zinc/37/55/86/680375586.db2.gz BBGWEKGBTDZZRC-HRCADAONSA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3scnc3C)C2)CC[N@H+]1C ZINC001028551908 680375590 /nfs/dbraw/zinc/37/55/90/680375590.db2.gz BBGWEKGBTDZZRC-HRCADAONSA-N 1 3 350.532 2.120 20 0 FEADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cccc(Cl)n3)C2)CC[N@@H+]1C ZINC000998794555 680389646 /nfs/dbraw/zinc/38/96/46/680389646.db2.gz ASUFOUVLGZYSED-TWRYWWQQSA-N 1 3 350.894 2.154 20 0 FEADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cccc(Cl)n3)C2)CC[N@H+]1C ZINC000998794555 680389651 /nfs/dbraw/zinc/38/96/51/680389651.db2.gz ASUFOUVLGZYSED-TWRYWWQQSA-N 1 3 350.894 2.154 20 0 FEADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(CCc2scnc2C)C1 ZINC001033834366 680425266 /nfs/dbraw/zinc/42/52/66/680425266.db2.gz PLCUDAKMNXKJML-BRWVUGGUSA-N 1 3 364.559 2.257 20 0 FEADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(CCc2scnc2C)C1 ZINC001033834366 680425269 /nfs/dbraw/zinc/42/52/69/680425269.db2.gz PLCUDAKMNXKJML-BRWVUGGUSA-N 1 3 364.559 2.257 20 0 FEADHO Cc1ncc(CN(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC000985441597 680448595 /nfs/dbraw/zinc/44/85/95/680448595.db2.gz KIHNTFNJCNGHEF-CXAGYDPISA-N 1 3 350.532 2.215 20 0 FEADHO Cc1ncc(CN(C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC000985441597 680448597 /nfs/dbraw/zinc/44/85/97/680448597.db2.gz KIHNTFNJCNGHEF-CXAGYDPISA-N 1 3 350.532 2.215 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCCC2CCOCC2)CC[N@@H+]1C ZINC001038267997 680454602 /nfs/dbraw/zinc/45/46/02/680454602.db2.gz ALCAFYRVILXMBM-CEXWTWQISA-N 1 3 351.535 2.114 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCCC2CCOCC2)CC[N@H+]1C ZINC001038267997 680454605 /nfs/dbraw/zinc/45/46/05/680454605.db2.gz ALCAFYRVILXMBM-CEXWTWQISA-N 1 3 351.535 2.114 20 0 FEADHO Cc1nc(CCN2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC001005406908 680574591 /nfs/dbraw/zinc/57/45/91/680574591.db2.gz KZXLMFOGFWFELH-RDTXWAMCSA-N 1 3 364.559 2.257 20 0 FEADHO Cc1nc(CCN2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC001005406908 680574593 /nfs/dbraw/zinc/57/45/93/680574593.db2.gz KZXLMFOGFWFELH-RDTXWAMCSA-N 1 3 364.559 2.257 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2cnc(Cl)s2)CC[N@@H+]1C ZINC001045044046 680620312 /nfs/dbraw/zinc/62/03/12/680620312.db2.gz SIHIXTIRDUDKMY-MBNYWOFBSA-N 1 3 356.923 2.217 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2cnc(Cl)s2)CC[N@H+]1C ZINC001045044046 680620317 /nfs/dbraw/zinc/62/03/17/680620317.db2.gz SIHIXTIRDUDKMY-MBNYWOFBSA-N 1 3 356.923 2.217 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CSCCS3)CC2)CC1 ZINC000847556479 681395590 /nfs/dbraw/zinc/39/55/90/681395590.db2.gz VWEKQLLBWRBPLE-QGZVFWFLSA-N 1 3 371.616 2.148 20 0 FEADHO CC(C)N1CCN(CCC[NH2+][C@@](C)(CO)Cc2ccccc2F)CC1 ZINC000933432628 681410884 /nfs/dbraw/zinc/41/08/84/681410884.db2.gz VVGOPSUJBBXUJP-HXUWFJFHSA-N 1 3 351.510 2.125 20 0 FEADHO NS(=O)(=O)c1ccc(C2CC[NH+](CCCN3CCCCC3)CC2)cc1 ZINC000933551850 681431294 /nfs/dbraw/zinc/43/12/94/681431294.db2.gz YAASCQQHHHCPJC-UHFFFAOYSA-N 1 3 365.543 2.389 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNc1ccc(C(F)(F)F)cn1 ZINC000849059699 681649267 /nfs/dbraw/zinc/64/92/67/681649267.db2.gz DWAYLZYNGPVEAJ-ZDUSSCGKSA-N 1 3 358.412 2.111 20 0 FEADHO CCN1CCN(CCNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000849083814 681651348 /nfs/dbraw/zinc/65/13/48/681651348.db2.gz KJVGEEIPYHRZCN-UHFFFAOYSA-N 1 3 359.396 2.159 20 0 FEADHO C[C@@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000914350652 685505005 /nfs/dbraw/zinc/50/50/05/685505005.db2.gz VJIOEFHXCLHLDK-AOIWGVFYSA-N 1 3 369.575 2.045 20 0 FEADHO C[C@@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000914350652 685505006 /nfs/dbraw/zinc/50/50/06/685505006.db2.gz VJIOEFHXCLHLDK-AOIWGVFYSA-N 1 3 369.575 2.045 20 0 FEADHO CC(C)N1CCC([N@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000851744493 682118019 /nfs/dbraw/zinc/11/80/19/682118019.db2.gz GXVOGTHDXDXOHF-QGZVFWFLSA-N 1 3 355.523 2.427 20 0 FEADHO CC(C)N1CCC([N@@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000851744493 682118024 /nfs/dbraw/zinc/11/80/24/682118024.db2.gz GXVOGTHDXDXOHF-QGZVFWFLSA-N 1 3 355.523 2.427 20 0 FEADHO CN(C[C@@](C)(O)C[N@@H+]1CCC[C@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000852108195 682220499 /nfs/dbraw/zinc/22/04/99/682220499.db2.gz WVJBNDQKZHJLBO-RTBURBONSA-N 1 3 355.523 2.022 20 0 FEADHO CN(C[C@@](C)(O)C[N@H+]1CCC[C@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000852108195 682220501 /nfs/dbraw/zinc/22/05/01/682220501.db2.gz WVJBNDQKZHJLBO-RTBURBONSA-N 1 3 355.523 2.022 20 0 FEADHO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC000918756927 685541968 /nfs/dbraw/zinc/54/19/68/685541968.db2.gz SGCIBBYSTKQQDX-SFHVURJKSA-N 1 3 369.575 2.143 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000856919565 682827245 /nfs/dbraw/zinc/82/72/45/682827245.db2.gz GMCLIYVEAMPEFI-QWHCGFSZSA-N 1 3 353.338 2.142 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000856919565 682827248 /nfs/dbraw/zinc/82/72/48/682827248.db2.gz GMCLIYVEAMPEFI-QWHCGFSZSA-N 1 3 353.338 2.142 20 0 FEADHO CS(=O)(=O)c1ccccc1CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925832449 683042105 /nfs/dbraw/zinc/04/21/05/683042105.db2.gz WCESHJWHESHDDX-ROUUACIJSA-N 1 3 350.528 2.391 20 0 FEADHO CS(=O)(=O)c1ccccc1CCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925832449 683042112 /nfs/dbraw/zinc/04/21/12/683042112.db2.gz WCESHJWHESHDDX-ROUUACIJSA-N 1 3 350.528 2.391 20 0 FEADHO [NH3+]CC[C@@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000925999161 683062202 /nfs/dbraw/zinc/06/22/02/683062202.db2.gz YWDKVLFAKNDVHN-QGZVFWFLSA-N 1 3 362.543 2.481 20 0 FEADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(C(F)(F)F)nn1C)C2 ZINC000922390750 683712402 /nfs/dbraw/zinc/71/24/02/683712402.db2.gz OLUNNBJPTDEHNR-LUYZLQTOSA-N 1 3 360.424 2.008 20 0 FEADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(C(F)(F)F)nn1C)C2 ZINC000922390750 683712407 /nfs/dbraw/zinc/71/24/07/683712407.db2.gz OLUNNBJPTDEHNR-LUYZLQTOSA-N 1 3 360.424 2.008 20 0 FEADHO Cc1ccnc(CN[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1Br ZINC000865460443 683985658 /nfs/dbraw/zinc/98/56/58/683985658.db2.gz JLTAVAMPFPIPNC-AWEZNQCLSA-N 1 3 367.335 2.411 20 0 FEADHO Cc1ccnc(CN[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1Br ZINC000865460443 683985662 /nfs/dbraw/zinc/98/56/62/683985662.db2.gz JLTAVAMPFPIPNC-AWEZNQCLSA-N 1 3 367.335 2.411 20 0 FEADHO C[C@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccc(Br)cc1 ZINC000923490099 684290745 /nfs/dbraw/zinc/29/07/45/684290745.db2.gz RNRGLKGLYDMFRQ-STQMWFEESA-N 1 3 354.292 2.297 20 0 FEADHO CSc1ccccc1NC(=O)CCN1CCC(O)(C[NH+](C)C)CC1 ZINC000931485276 684290989 /nfs/dbraw/zinc/29/09/89/684290989.db2.gz YWTLBVIAIATXAD-UHFFFAOYSA-N 1 3 351.516 2.126 20 0 FEADHO CC(C)(C)OC(=O)N1CCOC[C@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000924714185 684482315 /nfs/dbraw/zinc/48/23/15/684482315.db2.gz WMLQYAKPILVEEL-QGZVFWFLSA-N 1 3 353.507 2.086 20 0 FEADHO C[C@H]([NH2+]C1CCN(C2CCCC2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000925219737 684541737 /nfs/dbraw/zinc/54/17/37/684541737.db2.gz GTSKQOKWQJUKQN-HNNXBMFYSA-N 1 3 357.564 2.043 20 0 FEADHO C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000925595033 684572107 /nfs/dbraw/zinc/57/21/07/684572107.db2.gz QBZFFONYRMYPAN-NUEKZKHPSA-N 1 3 353.532 2.494 20 0 FEADHO C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)[C@@H](c1ccccc1)N1CCOCC1 ZINC000925785557 684585523 /nfs/dbraw/zinc/58/55/23/684585523.db2.gz UZLPGDCTORQTGJ-SZMVWBNQSA-N 1 3 353.457 2.283 20 0 FEADHO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158203 684923907 /nfs/dbraw/zinc/92/39/07/684923907.db2.gz ZPMFMYBHKMEQNX-KCITZHQASA-N 1 3 351.535 2.290 20 0 FEADHO CNS(=O)(=O)c1ccc(CCN[C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000873261349 685101965 /nfs/dbraw/zinc/10/19/65/685101965.db2.gz CYQROANJLSHZNP-DOTOQJQBSA-N 1 3 353.532 2.038 20 0 FEADHO CC1CCN([C@H](CNC(=O)c2c(C[NH3+])cnn2C)c2cccs2)CC1 ZINC000876710332 686249940 /nfs/dbraw/zinc/24/99/40/686249940.db2.gz ISKRJEWZBXNAOF-OAHLLOKOSA-N 1 3 361.515 2.143 20 0 FEADHO CC(C)[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)NC(=O)OC(C)(C)C ZINC000877030394 686314359 /nfs/dbraw/zinc/31/43/59/686314359.db2.gz CKZGOWJNZLUXTF-MRXNPFEDSA-N 1 3 357.539 2.361 20 0 FEADHO C[C@H]1CN(CCCC[NH2+]Cc2c3c(nn2C)CCSC3)C[C@H](C)O1 ZINC000883015690 687546800 /nfs/dbraw/zinc/54/68/00/687546800.db2.gz YZYDNUUZNQWDIE-GJZGRUSLSA-N 1 3 352.548 2.188 20 0 FEADHO CN(C)[C@H](CNC(=O)C1CCC(N2CCOCC2)CC1)c1ccsc1 ZINC000900136438 690474852 /nfs/dbraw/zinc/47/48/52/690474852.db2.gz KRUBJIKRYOZCGC-VMWRSERWSA-N 1 3 365.543 2.358 20 0 FEADHO CN(C)[C@H](CNC(=O)C1CCC([NH+]2CCOCC2)CC1)c1ccsc1 ZINC000900136438 690474855 /nfs/dbraw/zinc/47/48/55/690474855.db2.gz KRUBJIKRYOZCGC-VMWRSERWSA-N 1 3 365.543 2.358 20 0 FEADHO Brc1ccc2c(c1)[C@H](NC[C@H]1CCC3(C[NH2+]C3)O1)CCO2 ZINC000903566002 690925389 /nfs/dbraw/zinc/92/53/89/690925389.db2.gz XAVOTRIBLNENST-TZMCWYRMSA-N 1 3 353.260 2.383 20 0 FEADHO COc1cc(CN(C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)ccc1OC(F)F ZINC000903718152 690966459 /nfs/dbraw/zinc/96/64/59/690966459.db2.gz HLWKDPFWLSDNPU-RDTXWAMCSA-N 1 3 356.413 2.497 20 0 FEADHO C[C@](O)(C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)C(F)(F)C(F)(F)F ZINC000905173925 691076363 /nfs/dbraw/zinc/07/63/63/691076363.db2.gz IKPUDNJYFWMRFJ-IHRRRGAJSA-N 1 3 374.394 2.293 20 0 FEADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC[C@@H]1CCCN1CC(F)(F)F ZINC000905567409 691142692 /nfs/dbraw/zinc/14/26/92/691142692.db2.gz ZNVCIHXFOUBKCH-IRXDYDNUSA-N 1 3 359.436 2.096 20 0 FEADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNC[C@@H]1CCCN1CC(F)(F)F ZINC000905567409 691142696 /nfs/dbraw/zinc/14/26/96/691142696.db2.gz ZNVCIHXFOUBKCH-IRXDYDNUSA-N 1 3 359.436 2.096 20 0 FEADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(CN)ncn3)C[C@H]21 ZINC001165020265 721807874 /nfs/dbraw/zinc/80/78/74/721807874.db2.gz DSLKHYZXQGLIBM-ATZDWAIDSA-N 1 3 352.486 2.067 20 0 FEADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(CN)ncn3)C[C@H]21 ZINC001165020265 721807877 /nfs/dbraw/zinc/80/78/77/721807877.db2.gz DSLKHYZXQGLIBM-ATZDWAIDSA-N 1 3 352.486 2.067 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000048848073 540375320 /nfs/dbraw/zinc/37/53/20/540375320.db2.gz OXKSFINOKRPKTD-UHFFFAOYSA-N 1 3 360.502 2.069 20 0 FEADHO COc1cccc(CN(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000051759870 540443547 /nfs/dbraw/zinc/44/35/47/540443547.db2.gz HATJMFAAHYVPDM-UHFFFAOYSA-N 1 3 374.529 2.395 20 0 FEADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000067438660 541464235 /nfs/dbraw/zinc/46/42/35/541464235.db2.gz IXRXIHYTKJMMDA-BRWVUGGUSA-N 1 3 374.529 2.169 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000069500755 541691301 /nfs/dbraw/zinc/69/13/01/541691301.db2.gz ZLPNBCYYFUCXDO-UXHICEINSA-N 1 3 359.514 2.126 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000069500755 541691304 /nfs/dbraw/zinc/69/13/04/541691304.db2.gz ZLPNBCYYFUCXDO-UXHICEINSA-N 1 3 359.514 2.126 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCCN(C(C)C)CC2)c1 ZINC000069989245 541729730 /nfs/dbraw/zinc/72/97/30/541729730.db2.gz VWTVALLQLDUVOS-UHFFFAOYSA-N 1 3 374.529 2.410 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000073442176 541955063 /nfs/dbraw/zinc/95/50/63/541955063.db2.gz INCHPWOJDUWMCF-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000073496410 541958770 /nfs/dbraw/zinc/95/87/70/541958770.db2.gz RAAHJYQZURSWPX-WOJBJXKFSA-N 1 3 374.529 2.013 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000073725229 541992268 /nfs/dbraw/zinc/99/22/68/541992268.db2.gz OIIJGNMMHDBXRZ-MRXNPFEDSA-N 1 3 354.564 2.132 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000073725229 541992272 /nfs/dbraw/zinc/99/22/72/541992272.db2.gz OIIJGNMMHDBXRZ-MRXNPFEDSA-N 1 3 354.564 2.132 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(Cl)nc1 ZINC000073775793 541998481 /nfs/dbraw/zinc/99/84/81/541998481.db2.gz KRBQSLCIBUBMKJ-INIZCTEOSA-N 1 3 367.925 2.293 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(Cl)nc1 ZINC000073775793 541998483 /nfs/dbraw/zinc/99/84/83/541998483.db2.gz KRBQSLCIBUBMKJ-INIZCTEOSA-N 1 3 367.925 2.293 20 0 FEADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000074058214 542031675 /nfs/dbraw/zinc/03/16/75/542031675.db2.gz FAMRASORWJFRCF-IBGZPJMESA-N 1 3 363.546 2.356 20 0 FEADHO C[C@H]1CCCN1C(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000075684821 542198132 /nfs/dbraw/zinc/19/81/32/542198132.db2.gz FMCWAZZUOIPBKU-RCCFBDPRSA-N 1 3 351.535 2.209 20 0 FEADHO COc1ccccc1COC[C@@H](O)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000075860574 542210095 /nfs/dbraw/zinc/21/00/95/542210095.db2.gz LYZBLOKAMQPWQV-MOPGFXCFSA-N 1 3 350.503 2.379 20 0 FEADHO COc1ccccc1COC[C@@H](O)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000075860574 542210101 /nfs/dbraw/zinc/21/01/01/542210101.db2.gz LYZBLOKAMQPWQV-MOPGFXCFSA-N 1 3 350.503 2.379 20 0 FEADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000077458005 542385017 /nfs/dbraw/zinc/38/50/17/542385017.db2.gz KQIASQGZEQRGJE-FUHWJXTLSA-N 1 3 354.516 2.072 20 0 FEADHO CC(C)c1nn(C)c2sc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc12 ZINC000080061057 542561141 /nfs/dbraw/zinc/56/11/41/542561141.db2.gz GTKMGLNJFYSBQZ-UHFFFAOYSA-N 1 3 365.547 2.324 20 0 FEADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000081726853 542673529 /nfs/dbraw/zinc/67/35/29/542673529.db2.gz SCDDEUZHGDJHGC-PMACEKPBSA-N 1 3 371.525 2.134 20 0 FEADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081726853 542673532 /nfs/dbraw/zinc/67/35/32/542673532.db2.gz SCDDEUZHGDJHGC-PMACEKPBSA-N 1 3 371.525 2.134 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000083019277 542689120 /nfs/dbraw/zinc/68/91/20/542689120.db2.gz BXBSGOSTTSRVLB-QGZVFWFLSA-N 1 3 354.539 2.049 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000083019277 542689124 /nfs/dbraw/zinc/68/91/24/542689124.db2.gz BXBSGOSTTSRVLB-QGZVFWFLSA-N 1 3 354.539 2.049 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000093397613 542930366 /nfs/dbraw/zinc/93/03/66/542930366.db2.gz SYYXUZJHDTZJHC-QGZVFWFLSA-N 1 3 358.534 2.414 20 0 FEADHO CC1CCN(C[C@@H](O)C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000098144441 543023544 /nfs/dbraw/zinc/02/35/44/543023544.db2.gz SBPVYISSCUDSLI-QFIPXVFZSA-N 1 3 359.558 2.376 20 0 FEADHO COc1cccc([C@H](CNC(=O)NCC[N@H+](C)C(C)C)N2CCCC2)c1 ZINC000101975651 543052641 /nfs/dbraw/zinc/05/26/41/543052641.db2.gz QORYDHHJRYFWRI-IBGZPJMESA-N 1 3 362.518 2.472 20 0 FEADHO COc1cccc([C@H](CNC(=O)NCC[N@@H+](C)C(C)C)N2CCCC2)c1 ZINC000101975651 543052645 /nfs/dbraw/zinc/05/26/45/543052645.db2.gz QORYDHHJRYFWRI-IBGZPJMESA-N 1 3 362.518 2.472 20 0 FEADHO C[C@@H](CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1)[N@H+](C)C1CC1 ZINC000105269634 543167161 /nfs/dbraw/zinc/16/71/61/543167161.db2.gz APPCYYWQRHDOCG-KRWDZBQOSA-N 1 3 373.545 2.213 20 0 FEADHO C[C@@H](CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1)[N@@H+](C)C1CC1 ZINC000105269634 543167162 /nfs/dbraw/zinc/16/71/62/543167162.db2.gz APPCYYWQRHDOCG-KRWDZBQOSA-N 1 3 373.545 2.213 20 0 FEADHO CC(C)[NH2+]C1CCN([C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000108369426 543287558 /nfs/dbraw/zinc/28/75/58/543287558.db2.gz VRDKWKSWZLBDPR-RXVVDRJESA-N 1 3 372.557 2.228 20 0 FEADHO O=C(CCCN1CCN(c2ccccc2)CC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000111617878 543408500 /nfs/dbraw/zinc/40/85/00/543408500.db2.gz UUHVWMKEYPGXHS-HXUWFJFHSA-N 1 3 370.541 2.189 20 0 FEADHO O=C(CCCN1CCN(c2ccccc2)CC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000111617878 543408502 /nfs/dbraw/zinc/40/85/02/543408502.db2.gz UUHVWMKEYPGXHS-HXUWFJFHSA-N 1 3 370.541 2.189 20 0 FEADHO CCN1CCCC[C@H]1CNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000111481436 543403611 /nfs/dbraw/zinc/40/36/11/543403611.db2.gz WWQSGKBFJTXKTM-SFHVURJKSA-N 1 3 362.518 2.301 20 0 FEADHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc(Cl)n1 ZINC000124484831 543825049 /nfs/dbraw/zinc/82/50/49/543825049.db2.gz RORJNWJGXBKNQT-UHFFFAOYSA-N 1 3 350.894 2.332 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CN1C1CC1 ZINC000124718939 543838628 /nfs/dbraw/zinc/83/86/28/543838628.db2.gz QPMRJJWFNDDEHP-AEFFLSMTSA-N 1 3 374.529 2.442 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000124988189 543855278 /nfs/dbraw/zinc/85/52/78/543855278.db2.gz UZMANMNLKFKYPP-NEWSRXKRSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000124988189 543855282 /nfs/dbraw/zinc/85/52/82/543855282.db2.gz UZMANMNLKFKYPP-NEWSRXKRSA-N 1 3 356.514 2.433 20 0 FEADHO COc1cc([C@H](C)NCCC2CC[NH+](C)CC2)ccc1S(C)(=O)=O ZINC000125372247 543877853 /nfs/dbraw/zinc/87/78/53/543877853.db2.gz ASAZVVVYMUHFBX-AWEZNQCLSA-N 1 3 354.516 2.481 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1N(C)C ZINC000128146241 544034954 /nfs/dbraw/zinc/03/49/54/544034954.db2.gz AAEJVBAQKQPWQG-CABCVRRESA-N 1 3 350.482 2.130 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ccccc2)nn1 ZINC000132882153 544247408 /nfs/dbraw/zinc/24/74/08/544247408.db2.gz SRYBRFNVSCUUCV-UHFFFAOYSA-N 1 3 356.474 2.101 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)[C@H](C)C1 ZINC000132897404 544247815 /nfs/dbraw/zinc/24/78/15/544247815.db2.gz GKYJXPPUVVAGQT-DYXWJJEUSA-N 1 3 367.578 2.214 20 0 FEADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(-n2cncn2)cc1 ZINC000133163744 544258579 /nfs/dbraw/zinc/25/85/79/544258579.db2.gz CNLVJJCJYODMGE-IAGOWNOFSA-N 1 3 355.486 2.419 20 0 FEADHO CN(c1ccccc1CNC[C@@H]1CN(C2CC2)CCO1)C1CC[NH+](C)CC1 ZINC000134023023 544291658 /nfs/dbraw/zinc/29/16/58/544291658.db2.gz JEIRESQZLBAVFI-OAQYLSRUSA-N 1 3 372.557 2.170 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000133813713 544284193 /nfs/dbraw/zinc/28/41/93/544284193.db2.gz JAIMFAMOMDLXKU-IRXDYDNUSA-N 1 3 371.529 2.391 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000133813713 544284194 /nfs/dbraw/zinc/28/41/94/544284194.db2.gz JAIMFAMOMDLXKU-IRXDYDNUSA-N 1 3 371.529 2.391 20 0 FEADHO CS[C@@H](CO)[C@H](C)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150964835 544490936 /nfs/dbraw/zinc/49/09/36/544490936.db2.gz MHGVTEIBYHOHJJ-KXBFYZLASA-N 1 3 351.560 2.419 20 0 FEADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 ZINC000151113923 544506759 /nfs/dbraw/zinc/50/67/59/544506759.db2.gz CQZNPSALOXDAEN-IBGZPJMESA-N 1 3 361.486 2.209 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)CN1Cc1ccccc1 ZINC000151181210 544514452 /nfs/dbraw/zinc/51/44/52/544514452.db2.gz KPTLSJCQVQHVSD-PKOBYXMFSA-N 1 3 374.529 2.059 20 0 FEADHO CCCN1CCCN(C(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000153241571 544750883 /nfs/dbraw/zinc/75/08/83/544750883.db2.gz BYKJUOLMBOIXED-OALUTQOASA-N 1 3 368.566 2.251 20 0 FEADHO CCCN1CCCN(C(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000153241571 544750884 /nfs/dbraw/zinc/75/08/84/544750884.db2.gz BYKJUOLMBOIXED-OALUTQOASA-N 1 3 368.566 2.251 20 0 FEADHO CCN1CCN(CCC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000154316751 544890174 /nfs/dbraw/zinc/89/01/74/544890174.db2.gz WIMWKIHWQWROEU-UHFFFAOYSA-N 1 3 370.541 2.436 20 0 FEADHO CC(C)CC[C@](C)(O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000154330818 544892080 /nfs/dbraw/zinc/89/20/80/544892080.db2.gz CTNQEXCSFGCHKT-FQEVSTJZSA-N 1 3 368.566 2.031 20 0 FEADHO Cc1c([C@H](C)NCCCC[NH+]2CCN(C)CC2)nnn1-c1ccc(F)cc1 ZINC000154396368 544901021 /nfs/dbraw/zinc/90/10/21/544901021.db2.gz AOPCPLJQWSNSLF-INIZCTEOSA-N 1 3 374.508 2.393 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc2)CC1 ZINC000154264897 544882865 /nfs/dbraw/zinc/88/28/65/544882865.db2.gz KSVJGTRLKYEGTL-FPOVZHCZSA-N 1 3 370.541 2.385 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc2)CC1 ZINC000154264897 544882870 /nfs/dbraw/zinc/88/28/70/544882870.db2.gz KSVJGTRLKYEGTL-FPOVZHCZSA-N 1 3 370.541 2.385 20 0 FEADHO CCCN(C(=O)CCN1CCN(c2cccc(C)c2)CC1)[C@@H]1CC[NH2+]C1 ZINC000178919584 327616040 /nfs/dbraw/zinc/61/60/40/327616040.db2.gz LMGUEDKWRLDQPC-HXUWFJFHSA-N 1 3 358.530 2.108 20 0 FEADHO CN1c2ccc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)cc2CCC1=O ZINC000187250935 328011211 /nfs/dbraw/zinc/01/12/11/328011211.db2.gz PBCHYDIGWISLOW-QGZVFWFLSA-N 1 3 357.498 2.186 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC000192739841 328336768 /nfs/dbraw/zinc/33/67/68/328336768.db2.gz NIVZZDQXPFZGCJ-IBGZPJMESA-N 1 3 366.594 2.277 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC000192739841 328336770 /nfs/dbraw/zinc/33/67/70/328336770.db2.gz NIVZZDQXPFZGCJ-IBGZPJMESA-N 1 3 366.594 2.277 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000194103633 328411090 /nfs/dbraw/zinc/41/10/90/328411090.db2.gz SCTDQRZFSIEPCI-HSALFYBXSA-N 1 3 371.525 2.415 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)C[C@@H]1CSCCN1 ZINC000236872496 328496812 /nfs/dbraw/zinc/49/68/12/328496812.db2.gz FKCWHBUGJFVXTB-QGZVFWFLSA-N 1 3 365.543 2.119 20 0 FEADHO COc1cccc([C@H](CNC(=O)[C@@H]([NH3+])CCSC)N2CCCC2)c1 ZINC000237326984 328512458 /nfs/dbraw/zinc/51/24/58/328512458.db2.gz QIBCCFXCXRYYPZ-IRXDYDNUSA-N 1 3 351.516 2.029 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])CC2)c1 ZINC000237340964 328512873 /nfs/dbraw/zinc/51/28/73/328512873.db2.gz YAMHPPQBMVCUDO-QUCCMNQESA-N 1 3 358.530 2.235 20 0 FEADHO CN(Cc1ccc(C(N)=O)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968941 325150921 /nfs/dbraw/zinc/15/09/21/325150921.db2.gz ZYSIWYRXJXHQFM-UHFFFAOYSA-N 1 3 352.482 2.319 20 0 FEADHO C[C@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000081266367 325165594 /nfs/dbraw/zinc/16/55/94/325165594.db2.gz NNZSZVVETCMDAX-LJQANCHMSA-N 1 3 358.530 2.047 20 0 FEADHO CCN1CCC(NC(=O)CN2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000122022693 326381131 /nfs/dbraw/zinc/38/11/31/326381131.db2.gz JWOQOUSRBVQXBG-UHFFFAOYSA-N 1 3 364.578 2.175 20 0 FEADHO CC(=O)Nc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000123853467 326443559 /nfs/dbraw/zinc/44/35/59/326443559.db2.gz OBMMOROVYRZNDY-UHFFFAOYSA-N 1 3 368.481 2.226 20 0 FEADHO CSCC[C@@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000168965927 327087817 /nfs/dbraw/zinc/08/78/17/327087817.db2.gz TWYQUVWTAYENKG-NVXWUHKLSA-N 1 3 365.543 2.083 20 0 FEADHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000169222850 327088209 /nfs/dbraw/zinc/08/82/09/327088209.db2.gz KPIXELXICGNCGI-HNNXBMFYSA-N 1 3 365.905 2.299 20 0 FEADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000172292679 327193338 /nfs/dbraw/zinc/19/33/38/327193338.db2.gz BVMOYGLIAMELPR-SFHVURJKSA-N 1 3 372.513 2.021 20 0 FEADHO CN(CCC(=O)Nc1ccccc1C(=O)NC1CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000172583067 327209672 /nfs/dbraw/zinc/20/96/72/327209672.db2.gz ASZFPQCIWLSUEK-INIZCTEOSA-N 1 3 372.513 2.181 20 0 FEADHO CN(CCC(=O)Nc1ccccc1C(=O)NC1CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000172583067 327209673 /nfs/dbraw/zinc/20/96/73/327209673.db2.gz ASZFPQCIWLSUEK-INIZCTEOSA-N 1 3 372.513 2.181 20 0 FEADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173388479 327253083 /nfs/dbraw/zinc/25/30/83/327253083.db2.gz RLNSCNJPLNNXKL-OAHLLOKOSA-N 1 3 353.532 2.319 20 0 FEADHO CCO[C@H](CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000174218395 327313663 /nfs/dbraw/zinc/31/36/63/327313663.db2.gz VWBYISVCSBIAKN-LJQANCHMSA-N 1 3 368.566 2.295 20 0 FEADHO C[C@@H](C(=O)Nc1ccc(Cl)cc1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174728045 327346591 /nfs/dbraw/zinc/34/65/91/327346591.db2.gz SAJXEWLOEYCBPI-HNNXBMFYSA-N 1 3 352.910 2.236 20 0 FEADHO CCN1CCN(CCC(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000174767845 327349656 /nfs/dbraw/zinc/34/96/56/327349656.db2.gz ZGAYDXOOTRURHB-UHFFFAOYSA-N 1 3 360.546 2.171 20 0 FEADHO CCN1CCN(CCC(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000174767845 327349658 /nfs/dbraw/zinc/34/96/58/327349658.db2.gz ZGAYDXOOTRURHB-UHFFFAOYSA-N 1 3 360.546 2.171 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000175406753 327391244 /nfs/dbraw/zinc/39/12/44/327391244.db2.gz KEHDNSUZTAKLRS-GOSISDBHSA-N 1 3 362.518 2.253 20 0 FEADHO CC[C@]1(C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)CCC[NH2+]1 ZINC000248762470 328739327 /nfs/dbraw/zinc/73/93/27/328739327.db2.gz WLVHBVACLKUFNU-ABSDTBQOSA-N 1 3 351.535 2.257 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1ccccc1 ZINC000251664123 328788577 /nfs/dbraw/zinc/78/85/77/328788577.db2.gz LBFCWDNEFZKJDP-VAMGGRTRSA-N 1 3 369.513 2.376 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261632383 328807278 /nfs/dbraw/zinc/80/72/78/328807278.db2.gz DAUROPBODNWIFN-WOIUINJBSA-N 1 3 371.525 2.300 20 0 FEADHO O=C(CC[C@H]1CC[NH2+]C1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000261782436 328819454 /nfs/dbraw/zinc/81/94/54/328819454.db2.gz JRCBZMCUFKOVEU-INIZCTEOSA-N 1 3 363.477 2.175 20 0 FEADHO C[C@H](NC1(CNC(=O)CC[C@H]2CC[NH2+]C2)CCOCC1)c1ccccc1 ZINC000261885846 328827234 /nfs/dbraw/zinc/82/72/34/328827234.db2.gz SJHYBRLFPNRQJT-ROUUACIJSA-N 1 3 359.514 2.392 20 0 FEADHO CC[NH+](CC)CC1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000262308307 328858082 /nfs/dbraw/zinc/85/80/82/328858082.db2.gz YOLYIOIIGQABAL-FUHIMQAGSA-N 1 3 351.535 2.099 20 0 FEADHO COc1cc(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])ccc1OCCN(C)C ZINC000263061512 328912021 /nfs/dbraw/zinc/91/20/21/328912021.db2.gz VKZGHFVKRKQTEL-JXFKEZNVSA-N 1 3 363.502 2.159 20 0 FEADHO C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000264668440 329046590 /nfs/dbraw/zinc/04/65/90/329046590.db2.gz ZUFOYTKSPOBSRT-IBGZPJMESA-N 1 3 374.529 2.397 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000264668440 329046592 /nfs/dbraw/zinc/04/65/92/329046592.db2.gz ZUFOYTKSPOBSRT-IBGZPJMESA-N 1 3 374.529 2.397 20 0 FEADHO COCCN1CC[C@@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000265771687 329158611 /nfs/dbraw/zinc/15/86/11/329158611.db2.gz SVXMCMGIIUYIJZ-LJQANCHMSA-N 1 3 374.529 2.013 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000266822281 329263111 /nfs/dbraw/zinc/26/31/11/329263111.db2.gz FZQAULQZUZRXNZ-ICSRJNTNSA-N 1 3 358.530 2.140 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000266822281 329263113 /nfs/dbraw/zinc/26/31/13/329263113.db2.gz FZQAULQZUZRXNZ-ICSRJNTNSA-N 1 3 358.530 2.140 20 0 FEADHO COCCN1CC[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000267419712 329325559 /nfs/dbraw/zinc/32/55/59/329325559.db2.gz PRKSNWGMZIBSTK-LJQANCHMSA-N 1 3 374.529 2.013 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CN1C1CC1 ZINC000267940135 329370119 /nfs/dbraw/zinc/37/01/19/329370119.db2.gz PXJLSRYBXMYKPL-AEFFLSMTSA-N 1 3 374.529 2.094 20 0 FEADHO [NH3+]C[C@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)c1ccccc1 ZINC000269270776 329502489 /nfs/dbraw/zinc/50/24/89/329502489.db2.gz SLAAQOFLUOLGLW-NRFANRHFSA-N 1 3 367.493 2.002 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000269277937 329503483 /nfs/dbraw/zinc/50/34/83/329503483.db2.gz YONFKONXSQQTQO-IHPCNDPISA-N 1 3 359.514 2.206 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270085074 329573468 /nfs/dbraw/zinc/57/34/68/329573468.db2.gz JFXBBKFYISWYBJ-GOSISDBHSA-N 1 3 359.514 2.431 20 0 FEADHO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000270972594 329650552 /nfs/dbraw/zinc/65/05/52/329650552.db2.gz CQAIMPXDQZYFKE-HXUWFJFHSA-N 1 3 359.514 2.057 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NC3CC[NH+](CC)CC3)c2)CC1 ZINC000274850186 329985846 /nfs/dbraw/zinc/98/58/46/329985846.db2.gz WNSYFPMJMASCGX-UHFFFAOYSA-N 1 3 359.518 2.434 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000276437072 330151489 /nfs/dbraw/zinc/15/14/89/330151489.db2.gz UUWWAZRAEXZQJV-INIZCTEOSA-N 1 3 372.513 2.234 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)n(C)c2)[C@@H](C)C1 ZINC000554860418 674338996 /nfs/dbraw/zinc/33/89/96/674338996.db2.gz DRWZXVRFYYYAQI-DOTOQJQBSA-N 1 3 351.491 2.038 20 0 FEADHO CC1CCN(C[C@@H](O)CNC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000161621121 546131976 /nfs/dbraw/zinc/13/19/76/546131976.db2.gz UAJLBFYFOVCMQN-IBGZPJMESA-N 1 3 368.566 2.035 20 0 FEADHO [NH3+]C[C@@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1ccc(F)cc1 ZINC000479201298 561184433 /nfs/dbraw/zinc/18/44/33/561184433.db2.gz DDYYYODCJWXXLY-HXUWFJFHSA-N 1 3 371.456 2.463 20 0 FEADHO C[C@@H](C(=O)NC1CCC(C)CC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177376160 546603631 /nfs/dbraw/zinc/60/36/31/546603631.db2.gz FDPNXEBGVJKIOP-ADKAHSJRSA-N 1 3 352.567 2.028 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1cc(C)ccc1F ZINC000481297173 561229977 /nfs/dbraw/zinc/22/99/77/561229977.db2.gz VYIPKGDWNVUVSI-QGZVFWFLSA-N 1 3 365.493 2.387 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1cc(C)ccc1F ZINC000481297173 561229978 /nfs/dbraw/zinc/22/99/78/561229978.db2.gz VYIPKGDWNVUVSI-QGZVFWFLSA-N 1 3 365.493 2.387 20 0 FEADHO C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1cccc(OCC[NH+](C)C)c1 ZINC000179977579 547035708 /nfs/dbraw/zinc/03/57/08/547035708.db2.gz SGRLOLBHKHBBKZ-APWZRJJASA-N 1 3 364.486 2.200 20 0 FEADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1N(C)C ZINC000482560330 561256022 /nfs/dbraw/zinc/25/60/22/561256022.db2.gz AAEJVBAQKQPWQG-LSDHHAIUSA-N 1 3 350.482 2.130 20 0 FEADHO Cc1cc(S(=O)(=O)NCC[NH2+]C2CCN(C(C)C)CC2)c(C)s1 ZINC000180461381 547111139 /nfs/dbraw/zinc/11/11/39/547111139.db2.gz PNNPBUGYFBPXTO-UHFFFAOYSA-N 1 3 359.561 2.106 20 0 FEADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2Br)CC[N@@H+]1C ZINC000181362113 547300172 /nfs/dbraw/zinc/30/01/72/547300172.db2.gz CXFYHFJKKFYWEQ-MCIONIFRSA-N 1 3 357.292 2.261 20 0 FEADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2Br)CC[N@H+]1C ZINC000181362113 547300175 /nfs/dbraw/zinc/30/01/75/547300175.db2.gz CXFYHFJKKFYWEQ-MCIONIFRSA-N 1 3 357.292 2.261 20 0 FEADHO CC(C)OCCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000181879687 547396681 /nfs/dbraw/zinc/39/66/81/547396681.db2.gz CPEIBMIHUHIGNZ-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H](CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1)[NH+]1CCCCC1 ZINC000182675004 547530913 /nfs/dbraw/zinc/53/09/13/547530913.db2.gz CWCUVRMIGWJIMF-ROUUACIJSA-N 1 3 354.539 2.003 20 0 FEADHO COc1cc(NC(=O)CCN2CC[C@@H]([C@@H](C)[NH3+])C2)c(OC)cc1Cl ZINC000484903932 561308282 /nfs/dbraw/zinc/30/82/82/561308282.db2.gz IEYOPLBEMOIRFP-VXGBXAGGSA-N 1 3 355.866 2.355 20 0 FEADHO COCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@H]1CC=CCC1 ZINC000485102333 561312602 /nfs/dbraw/zinc/31/26/02/561312602.db2.gz DHNDVMDMFIRRFQ-SFHVURJKSA-N 1 3 351.535 2.280 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CCC[C@@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000184963548 547908346 /nfs/dbraw/zinc/90/83/46/547908346.db2.gz XJQRNXQAEACYEO-NHCUHLMSSA-N 1 3 372.557 2.356 20 0 FEADHO CN(CC[N@H+](C)C1CC1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000185172717 547945512 /nfs/dbraw/zinc/94/55/12/547945512.db2.gz DIZGHCJCUUIUTH-UHFFFAOYSA-N 1 3 354.564 2.084 20 0 FEADHO CN(CC[N@@H+](C)C1CC1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000185172717 547945515 /nfs/dbraw/zinc/94/55/15/547945515.db2.gz DIZGHCJCUUIUTH-UHFFFAOYSA-N 1 3 354.564 2.084 20 0 FEADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185293813 547965910 /nfs/dbraw/zinc/96/59/10/547965910.db2.gz YJXAXMYRZUYMCA-RVKKMQEKSA-N 1 3 351.516 2.045 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)Cc1ccccc1 ZINC000485465644 561319749 /nfs/dbraw/zinc/31/97/49/561319749.db2.gz OFNLAFNMNUSKSK-AABGKKOBSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)Cc1ccccc1 ZINC000485465644 561319750 /nfs/dbraw/zinc/31/97/50/561319750.db2.gz OFNLAFNMNUSKSK-AABGKKOBSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)Cc1ccccc1 ZINC000485465649 561319775 /nfs/dbraw/zinc/31/97/75/561319775.db2.gz OFNLAFNMNUSKSK-SLFFLAALSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)Cc1ccccc1 ZINC000485465649 561319776 /nfs/dbraw/zinc/31/97/76/561319776.db2.gz OFNLAFNMNUSKSK-SLFFLAALSA-N 1 3 358.530 2.285 20 0 FEADHO C[C@@H](NCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185763013 548031509 /nfs/dbraw/zinc/03/15/09/548031509.db2.gz ONYYKPUOGAEPKW-CVEARBPZSA-N 1 3 362.518 2.094 20 0 FEADHO C[C@@H](NCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185763013 548031513 /nfs/dbraw/zinc/03/15/13/548031513.db2.gz ONYYKPUOGAEPKW-CVEARBPZSA-N 1 3 362.518 2.094 20 0 FEADHO C[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000185763013 548031517 /nfs/dbraw/zinc/03/15/17/548031517.db2.gz ONYYKPUOGAEPKW-CVEARBPZSA-N 1 3 362.518 2.094 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1c[nH]c(=O)c2ccccc12 ZINC000190784157 548334324 /nfs/dbraw/zinc/33/43/24/548334324.db2.gz FIOCNHLOVZECCM-INIZCTEOSA-N 1 3 370.497 2.016 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1c[nH]c(=O)c2ccccc12 ZINC000190784157 548334329 /nfs/dbraw/zinc/33/43/29/548334329.db2.gz FIOCNHLOVZECCM-INIZCTEOSA-N 1 3 370.497 2.016 20 0 FEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000486381899 561345671 /nfs/dbraw/zinc/34/56/71/561345671.db2.gz SKRZCGVUVWVISU-RDTXWAMCSA-N 1 3 373.501 2.039 20 0 FEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000486381899 561345672 /nfs/dbraw/zinc/34/56/72/561345672.db2.gz SKRZCGVUVWVISU-RDTXWAMCSA-N 1 3 373.501 2.039 20 0 FEADHO [NH3+]CCc1nc(C(=O)N2CCCN(CC3CCCCC3)CC2)cs1 ZINC000194830118 548537484 /nfs/dbraw/zinc/53/74/84/548537484.db2.gz XTGBMLXZPFECMC-UHFFFAOYSA-N 1 3 350.532 2.373 20 0 FEADHO CCCCOC[C@@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000195181741 548591688 /nfs/dbraw/zinc/59/16/88/548591688.db2.gz FQYUJFASETUOIA-NSHGMRRFSA-N 1 3 356.551 2.375 20 0 FEADHO CCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000236851973 548783355 /nfs/dbraw/zinc/78/33/55/548783355.db2.gz OLYXYBIQILIVFZ-MSOLQXFVSA-N 1 3 360.502 2.309 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)C2([NH3+])CCCCC2)cc1)[C@@H]1CCCN(C)C1 ZINC000237180722 548806555 /nfs/dbraw/zinc/80/65/55/548806555.db2.gz ROJUSMHRHNTDCV-GOSISDBHSA-N 1 3 372.513 2.453 20 0 FEADHO CN(C)CCOc1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)cc1Cl ZINC000237197266 548807500 /nfs/dbraw/zinc/80/75/00/548807500.db2.gz KAGKRQQRXGSCML-ZDUSSCGKSA-N 1 3 357.907 2.314 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000237348302 548821031 /nfs/dbraw/zinc/82/10/31/548821031.db2.gz AKKSZULJICBWQM-XLIONFOSSA-N 1 3 359.514 2.446 20 0 FEADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000237348302 548821038 /nfs/dbraw/zinc/82/10/38/548821038.db2.gz AKKSZULJICBWQM-XLIONFOSSA-N 1 3 359.514 2.446 20 0 FEADHO C[C@H](CC(=O)NCc1ccccc1CN1CCC(O)CC1)[C@H]1CCC[NH2+]C1 ZINC000237667374 548843676 /nfs/dbraw/zinc/84/36/76/548843676.db2.gz BAXZRIPQAKMBOE-MSOLQXFVSA-N 1 3 373.541 2.285 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)C[C@H](C)O1 ZINC000237773783 548851884 /nfs/dbraw/zinc/85/18/84/548851884.db2.gz SOTVCLXPOQPZRM-SCTDSRPQSA-N 1 3 363.546 2.114 20 0 FEADHO [NH3+][C@@H]1CC[C@@H](C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000237937913 548866448 /nfs/dbraw/zinc/86/64/48/548866448.db2.gz HRDPEHLQLMLVON-GDBMZVCRSA-N 1 3 365.905 2.427 20 0 FEADHO [NH3+][C@@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000237971660 548867952 /nfs/dbraw/zinc/86/79/52/548867952.db2.gz UDDHURWJWGXARM-FQEVSTJZSA-N 1 3 352.482 2.015 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000246671699 549187016 /nfs/dbraw/zinc/18/70/16/549187016.db2.gz FMLAEFIRXWCMOB-ZHALLVOQSA-N 1 3 351.535 2.114 20 0 FEADHO COC1(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CC[NH2+]CC1 ZINC000246698668 549191414 /nfs/dbraw/zinc/19/14/14/549191414.db2.gz WBDSDZMIOUFSHT-ZBFHGGJFSA-N 1 3 351.516 2.016 20 0 FEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)C1 ZINC000488793755 561397146 /nfs/dbraw/zinc/39/71/46/561397146.db2.gz IVDQGGWYQMCZHN-ZSYWTGECSA-N 1 3 350.551 2.479 20 0 FEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)C1 ZINC000488793755 561397147 /nfs/dbraw/zinc/39/71/47/561397147.db2.gz IVDQGGWYQMCZHN-ZSYWTGECSA-N 1 3 350.551 2.479 20 0 FEADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000246955281 549250912 /nfs/dbraw/zinc/25/09/12/549250912.db2.gz IHRIEFLBYNWBPG-HZPDHXFCSA-N 1 3 351.516 2.219 20 0 FEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000247995181 549399093 /nfs/dbraw/zinc/39/90/93/549399093.db2.gz JVRHJNMZEHRYLF-WOIUINJBSA-N 1 3 372.557 2.383 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)c1nccs1 ZINC000248645419 549475656 /nfs/dbraw/zinc/47/56/56/549475656.db2.gz SGWVHMGAFUGVRV-JKSUJKDBSA-N 1 3 367.563 2.304 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)c1nccs1 ZINC000248645419 549475659 /nfs/dbraw/zinc/47/56/59/549475659.db2.gz SGWVHMGAFUGVRV-JKSUJKDBSA-N 1 3 367.563 2.304 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000248875750 549518853 /nfs/dbraw/zinc/51/88/53/549518853.db2.gz RAMJDTLWUFCCIN-DUXKGJEZSA-N 1 3 371.525 2.267 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000248875750 549518858 /nfs/dbraw/zinc/51/88/58/549518858.db2.gz RAMJDTLWUFCCIN-DUXKGJEZSA-N 1 3 371.525 2.267 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000249483041 549595365 /nfs/dbraw/zinc/59/53/65/549595365.db2.gz XNASDYDYZBNGFW-RDGPPVDQSA-N 1 3 353.551 2.218 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000489751105 561418349 /nfs/dbraw/zinc/41/83/49/561418349.db2.gz KHPBQNHSWYCVFC-WJFTUGDTSA-N 1 3 350.551 2.479 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000489751105 561418350 /nfs/dbraw/zinc/41/83/50/561418350.db2.gz KHPBQNHSWYCVFC-WJFTUGDTSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249760919 549625804 /nfs/dbraw/zinc/62/58/04/549625804.db2.gz WOYPQNOBJSJCPJ-CEXWTWQISA-N 1 3 372.557 2.312 20 0 FEADHO C[C@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249760919 549625807 /nfs/dbraw/zinc/62/58/07/549625807.db2.gz WOYPQNOBJSJCPJ-CEXWTWQISA-N 1 3 372.557 2.312 20 0 FEADHO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000261622057 549735464 /nfs/dbraw/zinc/73/54/64/549735464.db2.gz GDPROUIDGLHQPN-RCCFBDPRSA-N 1 3 357.564 2.091 20 0 FEADHO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000261652247 549738764 /nfs/dbraw/zinc/73/87/64/549738764.db2.gz BCKFATROFUTKQU-HZPDHXFCSA-N 1 3 351.516 2.219 20 0 FEADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261687153 549743339 /nfs/dbraw/zinc/74/33/39/549743339.db2.gz DSIMJXZULMBTAL-CEXWTWQISA-N 1 3 359.489 2.496 20 0 FEADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](N)C3CCOCC3)cc2)C1 ZINC000261714027 549746754 /nfs/dbraw/zinc/74/67/54/549746754.db2.gz IXLVLPJEOPYKNO-OXJNMPFZSA-N 1 3 359.514 2.289 20 0 FEADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](N)C3CCOCC3)cc2)C1 ZINC000261714027 549746758 /nfs/dbraw/zinc/74/67/58/549746758.db2.gz IXLVLPJEOPYKNO-OXJNMPFZSA-N 1 3 359.514 2.289 20 0 FEADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCOc2ccc(Cl)cc2Cl)C1 ZINC000261788817 549755975 /nfs/dbraw/zinc/75/59/75/549755975.db2.gz SVHMTVWHIHAOPF-LBPRGKRZSA-N 1 3 360.285 2.159 20 0 FEADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261801696 549757098 /nfs/dbraw/zinc/75/70/98/549757098.db2.gz HABBYUQIIIJNFG-CEXWTWQISA-N 1 3 359.514 2.082 20 0 FEADHO O=C(NCc1nc(-c2cccc(CN3CCCCC3)c2)no1)[C@H]1CCC[NH2+]1 ZINC000261876971 549764704 /nfs/dbraw/zinc/76/47/04/549764704.db2.gz VVLKLCLQBWSSOD-QGZVFWFLSA-N 1 3 369.469 2.091 20 0 FEADHO NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(C[NH3+])cc3)c2)CC1 ZINC000262254768 549803227 /nfs/dbraw/zinc/80/32/27/549803227.db2.gz COJFCIBRFJJDOF-UHFFFAOYSA-N 1 3 366.465 2.095 20 0 FEADHO [NH3+]Cc1ccc(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)cc1 ZINC000262628919 549833731 /nfs/dbraw/zinc/83/37/31/549833731.db2.gz GMXIFXXLBUSDCD-NRFANRHFSA-N 1 3 367.493 2.321 20 0 FEADHO CCN1CCN(CCC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000263646570 549912216 /nfs/dbraw/zinc/91/22/16/549912216.db2.gz DOGBFCXMMBZSEJ-UHFFFAOYSA-N 1 3 372.557 2.042 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000263694479 549920652 /nfs/dbraw/zinc/92/06/52/549920652.db2.gz HFODHIGGAWZMCG-PKOBYXMFSA-N 1 3 361.534 2.418 20 0 FEADHO CCOc1c(OC)cc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC000268397410 550058920 /nfs/dbraw/zinc/05/89/20/550058920.db2.gz APOIBWZDHMBGQE-UHFFFAOYSA-N 1 3 366.502 2.427 20 0 FEADHO C[C@H](CC[S@](C)=O)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000268455552 550068962 /nfs/dbraw/zinc/06/89/62/550068962.db2.gz XSHWFNNMKSKIBO-GYCJOSAFSA-N 1 3 351.560 2.464 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000271780896 550401356 /nfs/dbraw/zinc/40/13/56/550401356.db2.gz BMOJMSWOANYCRI-HXUWFJFHSA-N 1 3 356.514 2.112 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000271780896 550401357 /nfs/dbraw/zinc/40/13/57/550401357.db2.gz BMOJMSWOANYCRI-HXUWFJFHSA-N 1 3 356.514 2.112 20 0 FEADHO CN1CCN(CCCNC(=O)[C@H]2CCCN2C2CC2)[C@@H](c2ccccc2)C1 ZINC000494310596 561466882 /nfs/dbraw/zinc/46/68/82/561466882.db2.gz KNBWEYBKVFAPTK-NHCUHLMSSA-N 1 3 370.541 2.108 20 0 FEADHO CN1CCN(CCCNC(=O)[C@H]2CCC[N@@H+]2C2CC2)[C@@H](c2ccccc2)C1 ZINC000494310596 561466883 /nfs/dbraw/zinc/46/68/83/561466883.db2.gz KNBWEYBKVFAPTK-NHCUHLMSSA-N 1 3 370.541 2.108 20 0 FEADHO CN1CCN(CCCNC(=O)[C@H]2CCC[N@H+]2C2CC2)[C@@H](c2ccccc2)C1 ZINC000494310596 561466884 /nfs/dbraw/zinc/46/68/84/561466884.db2.gz KNBWEYBKVFAPTK-NHCUHLMSSA-N 1 3 370.541 2.108 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccc(OCCC[NH+](C)C)cc3)[C@@H]2C1 ZINC000272326953 550437733 /nfs/dbraw/zinc/43/77/33/550437733.db2.gz JLKPOLCIQPDCDP-UYAOXDASSA-N 1 3 374.529 2.253 20 0 FEADHO C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1=CCN(C)CC1 ZINC000272863524 550474265 /nfs/dbraw/zinc/47/42/65/550474265.db2.gz VOQDEOLTKKTFIU-MRXNPFEDSA-N 1 3 357.502 2.248 20 0 FEADHO CC[C@@]1(C(=O)Nc2ccc(NC(=O)NC3CCN(C)CC3)cc2)CCC[NH2+]1 ZINC000274542663 550543001 /nfs/dbraw/zinc/54/30/01/550543001.db2.gz CAGGZJBNPNHJNN-FQEVSTJZSA-N 1 3 373.501 2.373 20 0 FEADHO CCOCC[C@H](O)C[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000277590864 550688673 /nfs/dbraw/zinc/68/86/73/550688673.db2.gz VRTBGFNAYLCSPQ-LEWJYISDSA-N 1 3 364.530 2.151 20 0 FEADHO CCOCC[C@H](O)C[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000277590864 550688675 /nfs/dbraw/zinc/68/86/75/550688675.db2.gz VRTBGFNAYLCSPQ-LEWJYISDSA-N 1 3 364.530 2.151 20 0 FEADHO COC[C@@H](C)OC[C@@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000278434736 550785725 /nfs/dbraw/zinc/78/57/25/550785725.db2.gz VHKGKRJGABHCNR-XLIONFOSSA-N 1 3 365.518 2.032 20 0 FEADHO COC[C@@H](C)OC[C@@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000278434736 550785726 /nfs/dbraw/zinc/78/57/26/550785726.db2.gz VHKGKRJGABHCNR-XLIONFOSSA-N 1 3 365.518 2.032 20 0 FEADHO CC1(C)CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CCN1Cc1ccccc1 ZINC000278648429 550807686 /nfs/dbraw/zinc/80/76/86/550807686.db2.gz AIUWHISRBBQKJQ-KRWDZBQOSA-N 1 3 367.497 2.223 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279103714 550854514 /nfs/dbraw/zinc/85/45/14/550854514.db2.gz XPSFNKUTHHKGGA-BPQIPLTHSA-N 1 3 367.497 2.127 20 0 FEADHO CN1CCCN(c2ccc(NC(=O)c3csc(CC[NH3+])n3)cc2)CC1 ZINC000279921742 550943150 /nfs/dbraw/zinc/94/31/50/550943150.db2.gz NXQIJIRIHUOBLV-UHFFFAOYSA-N 1 3 359.499 2.039 20 0 FEADHO CN(C)CCN1CCC([NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000280038764 550955077 /nfs/dbraw/zinc/95/50/77/550955077.db2.gz VERLTBFYBPVDMU-UHFFFAOYSA-N 1 3 362.909 2.036 20 0 FEADHO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000280893439 551043216 /nfs/dbraw/zinc/04/32/16/551043216.db2.gz DSGOGPFNGRYLLW-OAQYLSRUSA-N 1 3 358.530 2.175 20 0 FEADHO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000280893439 551043218 /nfs/dbraw/zinc/04/32/18/551043218.db2.gz DSGOGPFNGRYLLW-OAQYLSRUSA-N 1 3 358.530 2.175 20 0 FEADHO CCN1CCN(CCCC[NH2+]Cc2ccnn2-c2ccccc2OC)CC1 ZINC000281627216 551122465 /nfs/dbraw/zinc/12/24/65/551122465.db2.gz LNCCDHRJPHGQJQ-UHFFFAOYSA-N 1 3 371.529 2.388 20 0 FEADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)[C@H]2C1 ZINC000497360861 561499328 /nfs/dbraw/zinc/49/93/28/561499328.db2.gz CMKDYTCCSPEGQC-AABGKKOBSA-N 1 3 356.514 2.387 20 0 FEADHO C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)[C@H]2C1 ZINC000497360861 561499329 /nfs/dbraw/zinc/49/93/29/561499329.db2.gz CMKDYTCCSPEGQC-AABGKKOBSA-N 1 3 356.514 2.387 20 0 FEADHO CCOc1c(OC)cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OC ZINC000282253786 551201752 /nfs/dbraw/zinc/20/17/52/551201752.db2.gz GTPHJUQXMMHWDI-UHFFFAOYSA-N 1 3 365.518 2.218 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)Cc1ccccc1 ZINC000498105050 561516066 /nfs/dbraw/zinc/51/60/66/561516066.db2.gz IJYQVXSUQYMMHN-SLFFLAALSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)Cc1ccccc1 ZINC000498105050 561516067 /nfs/dbraw/zinc/51/60/67/561516067.db2.gz IJYQVXSUQYMMHN-SLFFLAALSA-N 1 3 358.530 2.285 20 0 FEADHO CC(C)[C@@H](CNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)[NH+]1CCC(C)CC1 ZINC000498150664 561517061 /nfs/dbraw/zinc/51/70/61/561517061.db2.gz HWGDVUMSQXGBEM-IPMKNSEASA-N 1 3 350.551 2.479 20 0 FEADHO N[C@H](CC(F)F)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000498207022 561518586 /nfs/dbraw/zinc/51/85/86/561518586.db2.gz SPKWNNJEKKSOIE-APWZRJJASA-N 1 3 351.441 2.484 20 0 FEADHO N[C@H](CC(F)F)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000498207022 561518587 /nfs/dbraw/zinc/51/85/87/561518587.db2.gz SPKWNNJEKKSOIE-APWZRJJASA-N 1 3 351.441 2.484 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000284496545 551562421 /nfs/dbraw/zinc/56/24/21/551562421.db2.gz BZPHCJMSKRONCK-QFBILLFUSA-N 1 3 362.518 2.329 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000284496545 551562422 /nfs/dbraw/zinc/56/24/22/551562422.db2.gz BZPHCJMSKRONCK-QFBILLFUSA-N 1 3 362.518 2.329 20 0 FEADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286373646 551880177 /nfs/dbraw/zinc/88/01/77/551880177.db2.gz ZSXQAMBOJCDKKO-LSDHHAIUSA-N 1 3 359.470 2.169 20 0 FEADHO CC(C)n1cc(CNCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)nn1 ZINC000289618633 552350761 /nfs/dbraw/zinc/35/07/61/552350761.db2.gz FLJXMJGBHAJYNK-HXUWFJFHSA-N 1 3 356.518 2.327 20 0 FEADHO CC(C)n1cc(CNCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)nn1 ZINC000289618633 552350762 /nfs/dbraw/zinc/35/07/62/552350762.db2.gz FLJXMJGBHAJYNK-HXUWFJFHSA-N 1 3 356.518 2.327 20 0 FEADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000289692429 552363137 /nfs/dbraw/zinc/36/31/37/552363137.db2.gz DZBMXBVKSCLMDB-NXHRZFHOSA-N 1 3 363.502 2.149 20 0 FEADHO OC1CC[NH+](Cc2ccccc2CNCc2c[nH]c3nccnc23)CC1 ZINC000290923514 552562878 /nfs/dbraw/zinc/56/28/78/552562878.db2.gz QVCLSWGHFAGBRS-UHFFFAOYSA-N 1 3 351.454 2.204 20 0 FEADHO COCCN(C)CCC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000291143676 552592559 /nfs/dbraw/zinc/59/25/59/552592559.db2.gz YJPRYKXCCSALPZ-UHFFFAOYSA-N 1 3 351.510 2.391 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299450614 553565144 /nfs/dbraw/zinc/56/51/44/553565144.db2.gz UGXAFAGQAACYHO-MSOLQXFVSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299450614 553565145 /nfs/dbraw/zinc/56/51/45/553565145.db2.gz UGXAFAGQAACYHO-MSOLQXFVSA-N 1 3 360.502 2.053 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)c(C)c2)CC1 ZINC000333203724 554588558 /nfs/dbraw/zinc/58/85/58/554588558.db2.gz YNTDWBDPJOFBRN-OAQYLSRUSA-N 1 3 371.529 2.354 20 0 FEADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000333437427 554613266 /nfs/dbraw/zinc/61/32/66/554613266.db2.gz VOKDDYRAJBCINV-HOTGVXAUSA-N 1 3 354.564 2.165 20 0 FEADHO Cc1cc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc(C)n1 ZINC000333830612 554647772 /nfs/dbraw/zinc/64/77/72/554647772.db2.gz JHVSRVVSADEBPN-UHFFFAOYSA-N 1 3 359.518 2.056 20 0 FEADHO C[C@@H]1CN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC[C@@H]1[NH3+] ZINC000333941759 554658727 /nfs/dbraw/zinc/65/87/27/554658727.db2.gz PHJCDKDBPSVGJB-INMHGKMJSA-N 1 3 350.532 2.339 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C2=CCN(C)CC2)[C@H](C)C1 ZINC000511271872 561863431 /nfs/dbraw/zinc/86/34/31/561863431.db2.gz GHYYTRJEOKJLTI-AOIWGVFYSA-N 1 3 366.550 2.073 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C2=CCN(C)CC2)[C@H](C)C1 ZINC000511271872 561863433 /nfs/dbraw/zinc/86/34/33/561863433.db2.gz GHYYTRJEOKJLTI-AOIWGVFYSA-N 1 3 366.550 2.073 20 0 FEADHO C[C@H](NC(=O)NC[C@@]1(N(C)C)CCSC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511291649 561864100 /nfs/dbraw/zinc/86/41/00/561864100.db2.gz HUMIYBIZIVBOQR-FCEWJHQRSA-N 1 3 368.591 2.376 20 0 FEADHO C[C@H](NC(=O)NC[C@@]1(N(C)C)CCSC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511291649 561864101 /nfs/dbraw/zinc/86/41/01/561864101.db2.gz HUMIYBIZIVBOQR-FCEWJHQRSA-N 1 3 368.591 2.376 20 0 FEADHO COCC[N@H+](C)CCCNC(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000363250275 555063497 /nfs/dbraw/zinc/06/34/97/555063497.db2.gz LPOMCVRNUSXTRS-NVXWUHKLSA-N 1 3 368.547 2.008 20 0 FEADHO COCC[N@@H+](C)CCCNC(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000363250275 555063500 /nfs/dbraw/zinc/06/35/00/555063500.db2.gz LPOMCVRNUSXTRS-NVXWUHKLSA-N 1 3 368.547 2.008 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000363839691 555196809 /nfs/dbraw/zinc/19/68/09/555196809.db2.gz ZDAJBLHFNDROED-FXAWDEMLSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000363839694 555196995 /nfs/dbraw/zinc/19/69/95/555196995.db2.gz ZDAJBLHFNDROED-PXNSSMCTSA-N 1 3 358.530 2.490 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@]4(CCC[C@H]4[NH3+])C3)cc2)CC1 ZINC000364201486 555268874 /nfs/dbraw/zinc/26/88/74/555268874.db2.gz XGMYGNYZGWESJB-TZIWHRDSSA-N 1 3 356.514 2.172 20 0 FEADHO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512311060 561899744 /nfs/dbraw/zinc/89/97/44/561899744.db2.gz VBKBIMHQZILFMT-IAGOWNOFSA-N 1 3 351.441 2.354 20 0 FEADHO C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512311060 561899745 /nfs/dbraw/zinc/89/97/45/561899745.db2.gz VBKBIMHQZILFMT-IAGOWNOFSA-N 1 3 351.441 2.354 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1c(C)nc2ccccc21 ZINC000512324403 561900426 /nfs/dbraw/zinc/90/04/26/561900426.db2.gz HBJATXSGDBSOBW-SFHVURJKSA-N 1 3 371.529 2.219 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1c(C)nc2ccccc21 ZINC000512324403 561900427 /nfs/dbraw/zinc/90/04/27/561900427.db2.gz HBJATXSGDBSOBW-SFHVURJKSA-N 1 3 371.529 2.219 20 0 FEADHO CCCN1CCN(C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)CC1 ZINC000365649112 555631181 /nfs/dbraw/zinc/63/11/81/555631181.db2.gz WGGCSBBYJFBDTO-LJQANCHMSA-N 1 3 364.578 2.270 20 0 FEADHO C[NH+](C)CCOc1cnccc1CNC1CCN(c2ccccn2)CC1 ZINC000367289999 556009340 /nfs/dbraw/zinc/00/93/40/556009340.db2.gz FHLKTBYAPIJLEB-UHFFFAOYSA-N 1 3 355.486 2.176 20 0 FEADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000367527577 556074513 /nfs/dbraw/zinc/07/45/13/556074513.db2.gz PVSYJDAWPAJXFS-ZWKOTPCHSA-N 1 3 366.550 2.098 20 0 FEADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000367527577 556074516 /nfs/dbraw/zinc/07/45/16/556074516.db2.gz PVSYJDAWPAJXFS-ZWKOTPCHSA-N 1 3 366.550 2.098 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+](C)[C@@H]3c3cccs3)[C@@H]2C1 ZINC000367916840 556172005 /nfs/dbraw/zinc/17/20/05/556172005.db2.gz KCNVPALKZWQSDF-HPFXQQBRSA-N 1 3 362.543 2.477 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+](C)[C@@H]3c3cccs3)[C@@H]2C1 ZINC000367916840 556172006 /nfs/dbraw/zinc/17/20/06/556172006.db2.gz KCNVPALKZWQSDF-HPFXQQBRSA-N 1 3 362.543 2.477 20 0 FEADHO CSC1(CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CCN(C)CC1 ZINC000514979291 561989859 /nfs/dbraw/zinc/98/98/59/561989859.db2.gz CDRSAQDJTQFALX-MRXNPFEDSA-N 1 3 356.580 2.235 20 0 FEADHO CN(C)c1ccncc1CNCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000368108367 556221136 /nfs/dbraw/zinc/22/11/36/556221136.db2.gz RNMARWNYGJOORH-UHFFFAOYSA-N 1 3 359.562 2.434 20 0 FEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000368268164 556264184 /nfs/dbraw/zinc/26/41/84/556264184.db2.gz ZXERNDDSHYZBSI-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000368268164 556264185 /nfs/dbraw/zinc/26/41/85/556264185.db2.gz ZXERNDDSHYZBSI-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@@H](C)O1 ZINC000368290428 556269996 /nfs/dbraw/zinc/26/99/96/556269996.db2.gz NJFYSTPUYAVCMG-MDZRGWNJSA-N 1 3 357.514 2.205 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H](C)O1 ZINC000368290428 556269999 /nfs/dbraw/zinc/26/99/99/556269999.db2.gz NJFYSTPUYAVCMG-MDZRGWNJSA-N 1 3 357.514 2.205 20 0 FEADHO C[C@H](C(=O)N1CCCCCC1)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368825989 556423450 /nfs/dbraw/zinc/42/34/50/556423450.db2.gz PHAFQQDHHKPTLW-LJQANCHMSA-N 1 3 364.578 2.127 20 0 FEADHO COCCN(C)CCCNC(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000368993165 556470543 /nfs/dbraw/zinc/47/05/43/556470543.db2.gz QSBUFJGEYPFNLG-UHFFFAOYSA-N 1 3 368.566 2.297 20 0 FEADHO C[NH+]1CCC(N2CC[C@H](Nc3nc4ccccc4n4cncc34)C2)CC1 ZINC000623966234 556517358 /nfs/dbraw/zinc/51/73/58/556517358.db2.gz JGATXJQOYZAHAQ-HNNXBMFYSA-N 1 3 350.470 2.463 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)N2CCCN(CCCOC)CC2)CC1 ZINC000369662459 556662882 /nfs/dbraw/zinc/66/28/82/556662882.db2.gz QVMMGPQHGOXAEV-UHFFFAOYSA-N 1 3 354.539 2.005 20 0 FEADHO CC[C@@H](C)NC(=O)[C@@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371157556 557092201 /nfs/dbraw/zinc/09/22/01/557092201.db2.gz NXQUMSLMTBMMDZ-QZTJIDSGSA-N 1 3 366.594 2.418 20 0 FEADHO C[C@@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1=CCN(C)CC1 ZINC000518172285 562105606 /nfs/dbraw/zinc/10/56/06/562105606.db2.gz QNBCNUBEWFYJJZ-MRXNPFEDSA-N 1 3 370.497 2.382 20 0 FEADHO C[NH+](C)[C@H](CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000372464216 557477887 /nfs/dbraw/zinc/47/78/87/557477887.db2.gz PMUJWNCAXHXMKP-WOCWXWTJSA-N 1 3 351.535 2.146 20 0 FEADHO COCCN(C)CCCNC(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000372542535 557498514 /nfs/dbraw/zinc/49/85/14/557498514.db2.gz JZIQJGLYFNWIIW-UHFFFAOYSA-N 1 3 368.566 2.108 20 0 FEADHO Cc1[nH]nc2ncc(C[NH2+]CC3(O)CCN(Cc4ccccc4)CC3)cc12 ZINC000520195389 562150388 /nfs/dbraw/zinc/15/03/88/562150388.db2.gz FVNPEUFEBXMICM-UHFFFAOYSA-N 1 3 365.481 2.383 20 0 FEADHO CN1CC[C@@H](CNC(=O)c2csc(CC[NH3+])n2)[C@H]1c1cccs1 ZINC000373518447 557709836 /nfs/dbraw/zinc/70/98/36/557709836.db2.gz YDMJBTIPAJCOJZ-NHYWBVRUSA-N 1 3 350.513 2.129 20 0 FEADHO C[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000374259692 557853991 /nfs/dbraw/zinc/85/39/91/557853991.db2.gz QHQGVMYYHQYEGZ-SFHVURJKSA-N 1 3 353.514 2.473 20 0 FEADHO C[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000374259692 557853994 /nfs/dbraw/zinc/85/39/94/557853994.db2.gz QHQGVMYYHQYEGZ-SFHVURJKSA-N 1 3 353.514 2.473 20 0 FEADHO C[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)CCN1C1CC[NH+](C)CC1 ZINC000374259692 557853998 /nfs/dbraw/zinc/85/39/98/557853998.db2.gz QHQGVMYYHQYEGZ-SFHVURJKSA-N 1 3 353.514 2.473 20 0 FEADHO CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374298474 557861079 /nfs/dbraw/zinc/86/10/79/557861079.db2.gz VQTMJPMEAFCWNL-HOTGVXAUSA-N 1 3 364.534 2.053 20 0 FEADHO CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374298474 557861080 /nfs/dbraw/zinc/86/10/80/557861080.db2.gz VQTMJPMEAFCWNL-HOTGVXAUSA-N 1 3 364.534 2.053 20 0 FEADHO CCOc1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000521221142 562172276 /nfs/dbraw/zinc/17/22/76/562172276.db2.gz PHSSIHAHQDHBBU-UHFFFAOYSA-N 1 3 370.925 2.374 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN2CCC1CC2 ZINC000375218012 557993462 /nfs/dbraw/zinc/99/34/62/557993462.db2.gz JVTDPLVKCVCXCO-YLJYHZDGSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN2CCC1CC2 ZINC000375218012 557993463 /nfs/dbraw/zinc/99/34/63/557993463.db2.gz JVTDPLVKCVCXCO-YLJYHZDGSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2CCC1CC2 ZINC000375218006 557993570 /nfs/dbraw/zinc/99/35/70/557993570.db2.gz JVTDPLVKCVCXCO-PXNSSMCTSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2CCC1CC2 ZINC000375218006 557993572 /nfs/dbraw/zinc/99/35/72/557993572.db2.gz JVTDPLVKCVCXCO-PXNSSMCTSA-N 1 3 356.514 2.387 20 0 FEADHO CC(C)[C@@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)N1CCCCC1 ZINC000521491138 562177627 /nfs/dbraw/zinc/17/76/27/562177627.db2.gz JYPFWYLUOYKICB-SFHVURJKSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1)C(=O)NC(=O)NC1CC1 ZINC000375480746 558035268 /nfs/dbraw/zinc/03/52/68/558035268.db2.gz IDQGJSPNZJGTET-YXJHDRRASA-N 1 3 358.486 2.036 20 0 FEADHO C[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000521432798 562176325 /nfs/dbraw/zinc/17/63/25/562176325.db2.gz HIXIGMPNEZDRAG-DUXKGJEZSA-N 1 3 355.526 2.398 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1cc(C(N)=O)ccc1CN(C)C ZINC000375718167 558072187 /nfs/dbraw/zinc/07/21/87/558072187.db2.gz JPBJVSJACOKWKW-MNEFBYGVSA-N 1 3 374.529 2.148 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1cc(C(N)=O)ccc1CN(C)C ZINC000375718167 558072189 /nfs/dbraw/zinc/07/21/89/558072189.db2.gz JPBJVSJACOKWKW-MNEFBYGVSA-N 1 3 374.529 2.148 20 0 FEADHO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000521612667 562180263 /nfs/dbraw/zinc/18/02/63/562180263.db2.gz PDTLGGISWHWRBQ-SIKLNZKXSA-N 1 3 368.525 2.348 20 0 FEADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)C1CCN(CCc2ccncc2)CC1 ZINC000377018912 558252193 /nfs/dbraw/zinc/25/21/93/558252193.db2.gz IDAOIRVAFIYZMG-SIKLNZKXSA-N 1 3 371.573 2.494 20 0 FEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000377535645 558359515 /nfs/dbraw/zinc/35/95/15/558359515.db2.gz KCXUFUSMZOLBQW-ATZDWAIDSA-N 1 3 372.513 2.179 20 0 FEADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)Cc1ccccc1 ZINC000522305951 562196564 /nfs/dbraw/zinc/19/65/64/562196564.db2.gz OXVSMYGUUCJFDK-AZUAARDMSA-N 1 3 358.530 2.475 20 0 FEADHO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000377635075 558382512 /nfs/dbraw/zinc/38/25/12/558382512.db2.gz ZUNHFWCOMWVFCX-QFBILLFUSA-N 1 3 371.591 2.481 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCCN1C ZINC000522433957 562198485 /nfs/dbraw/zinc/19/84/85/562198485.db2.gz NXNHBTWTYRMECJ-RTBURBONSA-N 1 3 359.518 2.172 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCCN1C ZINC000522433957 562198486 /nfs/dbraw/zinc/19/84/86/562198486.db2.gz NXNHBTWTYRMECJ-RTBURBONSA-N 1 3 359.518 2.172 20 0 FEADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000378091660 558478825 /nfs/dbraw/zinc/47/88/25/558478825.db2.gz MPODZASBIUSUCX-KPFFTGBYSA-N 1 3 371.529 2.076 20 0 FEADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000378091660 558478827 /nfs/dbraw/zinc/47/88/27/558478827.db2.gz MPODZASBIUSUCX-KPFFTGBYSA-N 1 3 371.529 2.076 20 0 FEADHO CC(C)(C)N1CCCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000523001703 562207298 /nfs/dbraw/zinc/20/72/98/562207298.db2.gz KPIYIPTULWYHPO-QGZVFWFLSA-N 1 3 366.550 2.003 20 0 FEADHO CC(C)(C)N1CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000523001702 562207313 /nfs/dbraw/zinc/20/73/13/562207313.db2.gz KPIYIPTULWYHPO-KRWDZBQOSA-N 1 3 366.550 2.003 20 0 FEADHO CCCN1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000523346350 562211575 /nfs/dbraw/zinc/21/15/75/562211575.db2.gz AXHRIEXIYUOPCX-IBGZPJMESA-N 1 3 372.513 2.197 20 0 FEADHO CN1CC[NH+](C[C@H]2CCCN(C[C@H](O)c3ccc(Cl)cc3)C2)CC1 ZINC000378433097 558556098 /nfs/dbraw/zinc/55/60/98/558556098.db2.gz IYWULHMQAUQNFM-APWZRJJASA-N 1 3 351.922 2.333 20 0 FEADHO O=C(NCCC[NH+]1CCCCCC1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000523687540 562217836 /nfs/dbraw/zinc/21/78/36/562217836.db2.gz GLKXWDRJPVWCBG-OAQYLSRUSA-N 1 3 359.514 2.006 20 0 FEADHO O=C(CCC1CC[NH2+]CC1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390947385 558613179 /nfs/dbraw/zinc/61/31/79/558613179.db2.gz PZOJFLCOLLSRLZ-FQEVSTJZSA-N 1 3 359.514 2.174 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)ccc1C[NH+](C)C ZINC000411133038 558842718 /nfs/dbraw/zinc/84/27/18/558842718.db2.gz LNDMREQYYGVLJO-DLBZAZTESA-N 1 3 374.529 2.374 20 0 FEADHO CO[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000525813108 562255923 /nfs/dbraw/zinc/25/59/23/562255923.db2.gz ARYAOKYJSZNVMJ-KRWDZBQOSA-N 1 3 370.925 2.162 20 0 FEADHO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000526025909 562264286 /nfs/dbraw/zinc/26/42/86/562264286.db2.gz UUUPKODKYHASCZ-XEVCZEQESA-N 1 3 356.514 2.427 20 0 FEADHO COc1cc(OCCN(C)C)ccc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000412584828 559044954 /nfs/dbraw/zinc/04/49/54/559044954.db2.gz XJEZKUTTWDWADY-UHFFFAOYSA-N 1 3 361.486 2.449 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000412780249 559055800 /nfs/dbraw/zinc/05/58/00/559055800.db2.gz PSDOEAINVAOFAH-QGZVFWFLSA-N 1 3 361.530 2.296 20 0 FEADHO CCN1CCN([C@@H](C)CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000413444461 559108313 /nfs/dbraw/zinc/10/83/13/559108313.db2.gz RZPCAYJUZNSQNL-IBGZPJMESA-N 1 3 372.557 2.428 20 0 FEADHO CC1(C(=O)N[C@@H](CO)CN2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000413819083 559132349 /nfs/dbraw/zinc/13/23/49/559132349.db2.gz OJSSMRXJIAWZFM-HXUWFJFHSA-N 1 3 373.541 2.252 20 0 FEADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1N(C)C ZINC000414201682 559152779 /nfs/dbraw/zinc/15/27/79/559152779.db2.gz SYCNRVVMRKGLML-SFHVURJKSA-N 1 3 360.546 2.200 20 0 FEADHO C[C@@H](N[C@H]1CC1(C)C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000414228666 559153853 /nfs/dbraw/zinc/15/38/53/559153853.db2.gz YZWYTSNMMSJLHT-PBHICJAKSA-N 1 3 353.532 2.366 20 0 FEADHO CC(C)(C)c1ccncc1CNC1CC[NH+](CCN2CCOCC2)CC1 ZINC000414236853 559154013 /nfs/dbraw/zinc/15/40/13/559154013.db2.gz VVFRCIWDPPMGPB-UHFFFAOYSA-N 1 3 360.546 2.265 20 0 FEADHO C[NH+]1CCC(CNCc2ccc(F)cc2Cl)(N2CCOCC2)CC1 ZINC000414479054 559167890 /nfs/dbraw/zinc/16/78/90/559167890.db2.gz GXMVQOYHKRGHEC-UHFFFAOYSA-N 1 3 355.885 2.365 20 0 FEADHO C[C@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cc(F)cc(F)c1 ZINC000414479036 559167923 /nfs/dbraw/zinc/16/79/23/559167923.db2.gz GUHDEWHDPPMYAU-MRXNPFEDSA-N 1 3 367.484 2.455 20 0 FEADHO CN1CCC(C[NH2+]Cc2ccc(Cl)c(F)c2)(N2CCOCC2)CC1 ZINC000414485490 559168178 /nfs/dbraw/zinc/16/81/78/559168178.db2.gz PJAJOSLIEOSGBM-UHFFFAOYSA-N 1 3 355.885 2.365 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C23CCCN2CCC3)cc1 ZINC000414668327 559178579 /nfs/dbraw/zinc/17/85/79/559178579.db2.gz ZZWNGNBAQDKMPZ-UHFFFAOYSA-N 1 3 372.513 2.325 20 0 FEADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNC2)CC(C)C ZINC000414675305 559178895 /nfs/dbraw/zinc/17/88/95/559178895.db2.gz FRPGIPSCPJGTBY-GOSISDBHSA-N 1 3 360.502 2.101 20 0 FEADHO CCC[NH+]1CCN(c2ccccc2CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)CC1 ZINC000527053992 562274835 /nfs/dbraw/zinc/27/48/35/562274835.db2.gz XYORBDLPFWXUBB-HFSMHLIXSA-N 1 3 370.541 2.304 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000414693554 559180331 /nfs/dbraw/zinc/18/03/31/559180331.db2.gz CEENJPFUSCHBOF-JKSUJKDBSA-N 1 3 360.502 2.114 20 0 FEADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000414824929 559189619 /nfs/dbraw/zinc/18/96/19/559189619.db2.gz GIBNJLRHLQUIGN-LSDHHAIUSA-N 1 3 358.486 2.341 20 0 FEADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@H]1CCCNC1 ZINC000414824929 559189620 /nfs/dbraw/zinc/18/96/20/559189620.db2.gz GIBNJLRHLQUIGN-LSDHHAIUSA-N 1 3 358.486 2.341 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000414853830 559191026 /nfs/dbraw/zinc/19/10/26/559191026.db2.gz TZOTVVWUFSRIQH-CRAIPNDOSA-N 1 3 367.534 2.064 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)cc1 ZINC000414856607 559191235 /nfs/dbraw/zinc/19/12/35/559191235.db2.gz ONTRTANMBKUZQU-CRAIPNDOSA-N 1 3 358.486 2.122 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)cc1 ZINC000414856610 559191267 /nfs/dbraw/zinc/19/12/67/559191267.db2.gz ONTRTANMBKUZQU-YJBOKZPZSA-N 1 3 358.486 2.122 20 0 FEADHO CCCN1CCN(c2ccccc2CNC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000414938265 559195969 /nfs/dbraw/zinc/19/59/69/559195969.db2.gz DZYLHGHYUICAPL-NRFANRHFSA-N 1 3 360.546 2.077 20 0 FEADHO COCC1(CNCc2nc3c(s2)CN(C(C)C)CC3)CC[NH2+]CC1 ZINC000414967723 559197687 /nfs/dbraw/zinc/19/76/87/559197687.db2.gz DJGTVAVCBJNMSF-UHFFFAOYSA-N 1 3 352.548 2.015 20 0 FEADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414992131 559199250 /nfs/dbraw/zinc/19/92/50/559199250.db2.gz RGRLEIXUOVQOAO-YJBOKZPZSA-N 1 3 360.502 2.272 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1 ZINC000415027444 559201401 /nfs/dbraw/zinc/20/14/01/559201401.db2.gz WGAKTXROCJIEMA-HZPDHXFCSA-N 1 3 368.481 2.282 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000415031140 559201416 /nfs/dbraw/zinc/20/14/16/559201416.db2.gz GNHHRHOOCRVVNZ-NVXWUHKLSA-N 1 3 372.513 2.114 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000415031140 559201417 /nfs/dbraw/zinc/20/14/17/559201417.db2.gz GNHHRHOOCRVVNZ-NVXWUHKLSA-N 1 3 372.513 2.114 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000415037802 559201923 /nfs/dbraw/zinc/20/19/23/559201923.db2.gz MLXSRRPCAJRZOZ-WBVHZDCISA-N 1 3 372.513 2.114 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000415037802 559201924 /nfs/dbraw/zinc/20/19/24/559201924.db2.gz MLXSRRPCAJRZOZ-WBVHZDCISA-N 1 3 372.513 2.114 20 0 FEADHO COc1ccccc1SC[C@H](C)C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415074659 559203866 /nfs/dbraw/zinc/20/38/66/559203866.db2.gz DBMBLVKWCAAGEY-HZPDHXFCSA-N 1 3 365.543 2.210 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)cc1 ZINC000415108282 559205569 /nfs/dbraw/zinc/20/55/69/559205569.db2.gz PUJKMWMKXIYHTD-AWEZNQCLSA-N 1 3 370.453 2.224 20 0 FEADHO COc1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc(OC)c1OC ZINC000415119503 559206213 /nfs/dbraw/zinc/20/62/13/559206213.db2.gz FOJUYHRHPNWJLG-IRXDYDNUSA-N 1 3 364.486 2.431 20 0 FEADHO COc1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc2c1OCCO2 ZINC000415122435 559206360 /nfs/dbraw/zinc/20/63/60/559206360.db2.gz JZTPHLKYRNOYGV-SJORKVTESA-N 1 3 362.470 2.185 20 0 FEADHO CCCN(CCN1CCCCCC1)C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415220872 559216015 /nfs/dbraw/zinc/21/60/15/559216015.db2.gz FDDKQJYBORJSAU-UHFFFAOYSA-N 1 3 374.529 2.459 20 0 FEADHO C[C@@H]1[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)CCCN1C ZINC000415419735 559233726 /nfs/dbraw/zinc/23/37/26/559233726.db2.gz RCRJBZIZDBCODT-VQIMIIECSA-N 1 3 369.513 2.324 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415800886 559272476 /nfs/dbraw/zinc/27/24/76/559272476.db2.gz DVAFOCLPGBAPQW-DOTOQJQBSA-N 1 3 360.502 2.101 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000415810684 559273766 /nfs/dbraw/zinc/27/37/66/559273766.db2.gz XTLDCHSPMYXARO-KRWDZBQOSA-N 1 3 360.502 2.115 20 0 FEADHO O=C(Nc1ccc2c(c1)CNCC2)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000415904338 559281910 /nfs/dbraw/zinc/28/19/10/559281910.db2.gz YJJZSJJAHVZORQ-PMACEKPBSA-N 1 3 372.513 2.222 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)N2CCCC2)cc1 ZINC000416832193 559334308 /nfs/dbraw/zinc/33/43/08/559334308.db2.gz VUHRFPRTGAAGOS-HZPDHXFCSA-N 1 3 370.444 2.114 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CNCCC1(F)F)c1ccccc1 ZINC000416841332 559334649 /nfs/dbraw/zinc/33/46/49/559334649.db2.gz LQXOBEXXYKDZJB-CVEARBPZSA-N 1 3 354.445 2.366 20 0 FEADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000416843660 559334875 /nfs/dbraw/zinc/33/48/75/559334875.db2.gz PEUIDJXJADGWEM-HSALFYBXSA-N 1 3 356.514 2.292 20 0 FEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CNCCC1(F)F ZINC000416888958 559336638 /nfs/dbraw/zinc/33/66/38/559336638.db2.gz JSAIIRCZXMXZRJ-INIZCTEOSA-N 1 3 354.445 2.325 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000416917728 559338179 /nfs/dbraw/zinc/33/81/79/559338179.db2.gz ILGBSBICMHNPFR-LPHOPBHVSA-N 1 3 362.518 2.377 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(OC)c1 ZINC000416919280 559338284 /nfs/dbraw/zinc/33/82/84/559338284.db2.gz JTIPMBGYNZIUFE-CMKODMSKSA-N 1 3 374.529 2.329 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000416967383 559340689 /nfs/dbraw/zinc/34/06/89/559340689.db2.gz GYYGZUUUCSKJQN-LJQANCHMSA-N 1 3 374.529 2.158 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000416971671 559340984 /nfs/dbraw/zinc/34/09/84/559340984.db2.gz HFEDEJXONJJNSL-QFIPXVFZSA-N 1 3 370.541 2.479 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000416991712 559342396 /nfs/dbraw/zinc/34/23/96/559342396.db2.gz ORIXPQVMWZZSJZ-IRXDYDNUSA-N 1 3 362.518 2.299 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCN[C@H](C)[C@H]2C)cc1 ZINC000416990574 559342486 /nfs/dbraw/zinc/34/24/86/559342486.db2.gz NRFKADGOQFQYMQ-IAGOWNOFSA-N 1 3 362.518 2.299 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)N1CCc2ccccc2C1 ZINC000417003905 559343299 /nfs/dbraw/zinc/34/32/99/559343299.db2.gz BZWZIFATQLUQGT-LSTHTHJFSA-N 1 3 358.530 2.450 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417034107 559344927 /nfs/dbraw/zinc/34/49/27/559344927.db2.gz RSXSIHRDMCKSON-NRFANRHFSA-N 1 3 356.514 2.220 20 0 FEADHO C[NH2+]CCC1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000417113492 559348396 /nfs/dbraw/zinc/34/83/96/559348396.db2.gz NCYBXWMNPLGBNA-UHFFFAOYSA-N 1 3 368.591 2.379 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417176062 559351442 /nfs/dbraw/zinc/35/14/42/559351442.db2.gz BTRWIEBYQZCXRZ-PMACEKPBSA-N 1 3 358.530 2.190 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417178525 559351515 /nfs/dbraw/zinc/35/15/15/559351515.db2.gz DVOBTDMDDXVWCK-QHAWAJNXSA-N 1 3 366.509 2.214 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3CC[C@](C)(C[NH3+])C3)CC2)cc1 ZINC000417324360 559357602 /nfs/dbraw/zinc/35/76/02/559357602.db2.gz CMMWMJHYJYATRK-OAQYLSRUSA-N 1 3 374.529 2.288 20 0 FEADHO C[NH2+][C@@H]1CCCN(C(=O)NCC2CCN(Cc3ccc(OC)cc3)CC2)C1 ZINC000417331561 559358005 /nfs/dbraw/zinc/35/80/05/559358005.db2.gz MIZAZPOWSJNPNU-LJQANCHMSA-N 1 3 374.529 2.301 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)NCC3([NH3+])CCC3)CC2)cc1 ZINC000417339127 559358484 /nfs/dbraw/zinc/35/84/84/559358484.db2.gz ZTVNYEHOPHVOHA-UHFFFAOYSA-N 1 3 360.502 2.088 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)N2CCCC2)cc1 ZINC000417354476 559358844 /nfs/dbraw/zinc/35/88/44/559358844.db2.gz LVTFWDLESUAERW-JKSUJKDBSA-N 1 3 354.445 2.414 20 0 FEADHO O=C(NCC[C@@H]1CC[NH2+]C1)NCC1CCN(Cc2cccs2)CC1 ZINC000417376753 559359999 /nfs/dbraw/zinc/35/99/99/559359999.db2.gz DXFLLCRVGNVDOJ-HNNXBMFYSA-N 1 3 350.532 2.259 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417378193 559360139 /nfs/dbraw/zinc/36/01/39/559360139.db2.gz HCKLNMJYKZUDAO-SJLPKXTDSA-N 1 3 362.543 2.354 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417381927 559360186 /nfs/dbraw/zinc/36/01/86/559360186.db2.gz NEHIPLYCMBBFOW-DLBZAZTESA-N 1 3 362.543 2.211 20 0 FEADHO CCN(CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000417430302 559361879 /nfs/dbraw/zinc/36/18/79/559361879.db2.gz PDMOTNXCNCMVQJ-YJBOKZPZSA-N 1 3 366.456 2.194 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccccc1 ZINC000417515537 559365546 /nfs/dbraw/zinc/36/55/46/559365546.db2.gz LIUPKAGRFZHMSB-AOIWGVFYSA-N 1 3 362.518 2.088 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccccc1 ZINC000417515537 559365547 /nfs/dbraw/zinc/36/55/47/559365547.db2.gz LIUPKAGRFZHMSB-AOIWGVFYSA-N 1 3 362.518 2.088 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)N1C[C@H](C)NC[C@@H]1C)c1ccccc1 ZINC000417515539 559365551 /nfs/dbraw/zinc/36/55/51/559365551.db2.gz LIUPKAGRFZHMSB-LNLFQRSKSA-N 1 3 362.518 2.088 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)N1C[C@H](C)NC[C@@H]1C)c1ccccc1 ZINC000417515539 559365552 /nfs/dbraw/zinc/36/55/52/559365552.db2.gz LIUPKAGRFZHMSB-LNLFQRSKSA-N 1 3 362.518 2.088 20 0 FEADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417586686 559368112 /nfs/dbraw/zinc/36/81/12/559368112.db2.gz CJTIQXMBAKFKCQ-PKOBYXMFSA-N 1 3 374.529 2.430 20 0 FEADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417586683 559368129 /nfs/dbraw/zinc/36/81/29/559368129.db2.gz CJTIQXMBAKFKCQ-HKUYNNGSSA-N 1 3 374.529 2.430 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(OCCN3CCCC3)cc2)CC[NH2+]1 ZINC000417597988 559368692 /nfs/dbraw/zinc/36/86/92/559368692.db2.gz WMXKCPYJSWLUCF-FUHWJXTLSA-N 1 3 360.502 2.101 20 0 FEADHO CC1(CNC(=O)NCc2ccc(OCCN3CCCC3)cc2)CC[NH2+]CC1 ZINC000417596100 559368707 /nfs/dbraw/zinc/36/87/07/559368707.db2.gz PPHHMJQXMTVVEU-UHFFFAOYSA-N 1 3 374.529 2.350 20 0 FEADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CNCCC1(F)F)c1ccccc1 ZINC000417622057 559369462 /nfs/dbraw/zinc/36/94/62/559369462.db2.gz IAQHJPHMGXNKSA-HIFRSBDPSA-N 1 3 354.445 2.412 20 0 FEADHO COc1cc(NC(=O)NCC2CC[NH+](C)CC2)ccc1OCCN(C)C ZINC000417644447 559369908 /nfs/dbraw/zinc/36/99/08/559369908.db2.gz ABSNINRBXFZGQZ-UHFFFAOYSA-N 1 3 364.490 2.099 20 0 FEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000417688292 559372502 /nfs/dbraw/zinc/37/25/02/559372502.db2.gz IUOMRLVCTXBOOJ-NZSAHSFTSA-N 1 3 356.514 2.463 20 0 FEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000417688294 559372526 /nfs/dbraw/zinc/37/25/26/559372526.db2.gz IUOMRLVCTXBOOJ-QRQLOZEOSA-N 1 3 356.514 2.463 20 0 FEADHO C[C@H]([NH3+])[C@H](C)NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000417827096 559378054 /nfs/dbraw/zinc/37/80/54/559378054.db2.gz OZSXBCDWLNJEOW-IRXDYDNUSA-N 1 3 362.518 2.093 20 0 FEADHO CO[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000417837819 559378711 /nfs/dbraw/zinc/37/87/11/559378711.db2.gz MPQFGYUGGUXCRH-RSPOEFSDSA-N 1 3 374.529 2.187 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417944759 559383071 /nfs/dbraw/zinc/38/30/71/559383071.db2.gz WSTMIHOKFKUJGS-JTDSTZFVSA-N 1 3 359.518 2.376 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CCCN1C ZINC000418013826 559386533 /nfs/dbraw/zinc/38/65/33/559386533.db2.gz ZUQSJQVIWRFWBF-KBEZCGTCSA-N 1 3 366.456 2.192 20 0 FEADHO C[C@]1(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000418037945 559387472 /nfs/dbraw/zinc/38/74/72/559387472.db2.gz DXUFGFAZARYFTK-SVFBPWRDSA-N 1 3 356.514 2.435 20 0 FEADHO C[C@@]1(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCCN1Cc1ccccc1 ZINC000418045855 559387941 /nfs/dbraw/zinc/38/79/41/559387941.db2.gz PHWGZZNJMAWOCD-LEWJYISDSA-N 1 3 356.514 2.436 20 0 FEADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)C1CC1 ZINC000418141452 559391638 /nfs/dbraw/zinc/39/16/38/559391638.db2.gz LDABUAWXOBJQDP-HOTGVXAUSA-N 1 3 354.445 2.179 20 0 FEADHO C[C@H](NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)[C@@H](c1ccccc1)N(C)C ZINC000418160144 559392413 /nfs/dbraw/zinc/39/24/13/559392413.db2.gz BAADIZYUBZHHAG-UHOSZYNNSA-N 1 3 374.529 2.075 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)NCC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000418177443 559392998 /nfs/dbraw/zinc/39/29/98/559392998.db2.gz XQOWTTZRWPKNEX-QGZVFWFLSA-N 1 3 360.502 2.101 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418193200 559393699 /nfs/dbraw/zinc/39/36/99/559393699.db2.gz CYGNHXPNLAABGH-APWZRJJASA-N 1 3 362.518 2.375 20 0 FEADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418212387 559394181 /nfs/dbraw/zinc/39/41/81/559394181.db2.gz UYNQECAAAHMHSP-YJBOKZPZSA-N 1 3 350.507 2.231 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418227878 559394573 /nfs/dbraw/zinc/39/45/73/559394573.db2.gz DAEJRUHSTYAVOE-WMLDXEAASA-N 1 3 350.532 2.310 20 0 FEADHO C[NH2+][C@H]1CCCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000418234742 559394928 /nfs/dbraw/zinc/39/49/28/559394928.db2.gz QXDQEDYGDMZVLR-RDJZCZTQSA-N 1 3 350.532 2.405 20 0 FEADHO COC[C@]1(CNC(=O)NCC2(N(C)Cc3ccccc3)CCC2)CCC[NH2+]1 ZINC000418235649 559394987 /nfs/dbraw/zinc/39/49/87/559394987.db2.gz AKVHVPZROMNFQJ-HXUWFJFHSA-N 1 3 374.529 2.109 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)N(C)C)cc1 ZINC000418235328 559395017 /nfs/dbraw/zinc/39/50/17/559395017.db2.gz SDCOBKLRGZOBSL-NXHRZFHOSA-N 1 3 362.543 2.405 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)N(C)C)cc1 ZINC000418236319 559395090 /nfs/dbraw/zinc/39/50/90/559395090.db2.gz UTERXKWZAPLOHW-JQFCIGGWSA-N 1 3 350.532 2.308 20 0 FEADHO CC[NH2+]CCNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418318974 559397325 /nfs/dbraw/zinc/39/73/25/559397325.db2.gz AYZGGYJMFBJWDQ-UHFFFAOYSA-N 1 3 360.424 2.388 20 0 FEADHO CC[NH2+]CCNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418332548 559397819 /nfs/dbraw/zinc/39/78/19/559397819.db2.gz ZCMJZSCXRYYWTA-UHFFFAOYSA-N 1 3 371.323 2.132 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418340587 559398186 /nfs/dbraw/zinc/39/81/86/559398186.db2.gz GNNCRCROMRNOHG-HNNXBMFYSA-N 1 3 368.472 2.428 20 0 FEADHO O=C(N[C@@H]1CCCC[NH2+]C1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000418365933 559399337 /nfs/dbraw/zinc/39/93/37/559399337.db2.gz INASQFAHSUJZRN-VAMGGRTRSA-N 1 3 356.514 2.292 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418399267 559400188 /nfs/dbraw/zinc/40/01/88/559400188.db2.gz DPYRZKRZJPJTCU-WMZOPIPTSA-N 1 3 350.482 2.416 20 0 FEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H](N)c2ccccc2)cc1 ZINC000418405211 559400407 /nfs/dbraw/zinc/40/04/07/559400407.db2.gz BAGXJQNJFFYAPA-UFYCRDLUSA-N 1 3 368.481 2.140 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418438996 559401630 /nfs/dbraw/zinc/40/16/30/559401630.db2.gz FSZSDTNDVUCWPK-GOSISDBHSA-N 1 3 354.539 2.051 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418546671 559405661 /nfs/dbraw/zinc/40/56/61/559405661.db2.gz QOVKEALUAPIYKX-PZJWPPBQSA-N 1 3 373.545 2.467 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418553209 559405774 /nfs/dbraw/zinc/40/57/74/559405774.db2.gz CGTDOUWHWJCTNC-CXAGYDPISA-N 1 3 354.445 2.036 20 0 FEADHO COC[C@]1(CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000418661259 559410296 /nfs/dbraw/zinc/41/02/96/559410296.db2.gz YYECWXPNJYOSDK-PZJWPPBQSA-N 1 3 374.529 2.061 20 0 FEADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418769254 559415084 /nfs/dbraw/zinc/41/50/84/559415084.db2.gz NCQVKGUPIJAMNQ-GOSISDBHSA-N 1 3 359.518 2.472 20 0 FEADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000418778101 559415635 /nfs/dbraw/zinc/41/56/35/559415635.db2.gz YQQFPEGTDOTJEY-IAGOWNOFSA-N 1 3 366.456 2.147 20 0 FEADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000418778101 559415636 /nfs/dbraw/zinc/41/56/36/559415636.db2.gz YQQFPEGTDOTJEY-IAGOWNOFSA-N 1 3 366.456 2.147 20 0 FEADHO CCOCc1ccc(CNC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420321569 559480217 /nfs/dbraw/zinc/48/02/17/559480217.db2.gz CVTXBVNKKQQTPI-UXHICEINSA-N 1 3 359.514 2.161 20 0 FEADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCCOc1ccccc1F ZINC000420333865 559481175 /nfs/dbraw/zinc/48/11/75/559481175.db2.gz TVYCYHDARVXFKK-SJORKVTESA-N 1 3 363.477 2.032 20 0 FEADHO COc1ccc([C@H](NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)C(C)C)cc1 ZINC000420337049 559481709 /nfs/dbraw/zinc/48/17/09/559481709.db2.gz MSHJKSGDHFCPRG-LVCYWYKZSA-N 1 3 359.514 2.440 20 0 FEADHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420347388 559482252 /nfs/dbraw/zinc/48/22/52/559482252.db2.gz YNCIZDQUYBPPFJ-BMFZPTHFSA-N 1 3 351.441 2.416 20 0 FEADHO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346505 559482328 /nfs/dbraw/zinc/48/23/28/559482328.db2.gz YMWPUZKPSLICKU-VUHPKUFZSA-N 1 3 357.498 2.336 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000420365833 559483306 /nfs/dbraw/zinc/48/33/06/559483306.db2.gz STKIPDVYDSRUCX-DYXWJJEUSA-N 1 3 350.466 2.214 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000420365833 559483307 /nfs/dbraw/zinc/48/33/07/559483307.db2.gz STKIPDVYDSRUCX-DYXWJJEUSA-N 1 3 350.466 2.214 20 0 FEADHO NCc1cn([C@@H]2CCC[N@H+](CCOc3ccc(Cl)c(F)c3)C2)nn1 ZINC000420375291 559483919 /nfs/dbraw/zinc/48/39/19/559483919.db2.gz ITTHTXBWVQWNGT-CYBMUJFWSA-N 1 3 353.829 2.245 20 0 FEADHO NCc1cn([C@@H]2CCC[N@@H+](CCOc3ccc(Cl)c(F)c3)C2)nn1 ZINC000420375291 559483920 /nfs/dbraw/zinc/48/39/20/559483920.db2.gz ITTHTXBWVQWNGT-CYBMUJFWSA-N 1 3 353.829 2.245 20 0 FEADHO Cc1ccccc1CCCN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420401597 559485723 /nfs/dbraw/zinc/48/57/23/559485723.db2.gz LEDAQEPYOSXAPR-UXHICEINSA-N 1 3 356.514 2.148 20 0 FEADHO Cc1ccccc1CCCN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420401595 559485734 /nfs/dbraw/zinc/48/57/34/559485734.db2.gz LEDAQEPYOSXAPR-PMACEKPBSA-N 1 3 356.514 2.148 20 0 FEADHO [NH3+]CC1(O)CCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000420407954 559486218 /nfs/dbraw/zinc/48/62/18/559486218.db2.gz VCGIEBWIZRFYQX-LJQANCHMSA-N 1 3 373.522 2.129 20 0 FEADHO CCN1CCC([N@@H+]2CCCN([C@@H](C(=O)N(C)C)c3ccccc3)CC2)CC1 ZINC000420984860 559517461 /nfs/dbraw/zinc/51/74/61/559517461.db2.gz UXNAKLYXUQQNBI-OAQYLSRUSA-N 1 3 372.557 2.308 20 0 FEADHO CCN1CCC([N@H+]2CCCN([C@@H](C(=O)N(C)C)c3ccccc3)CC2)CC1 ZINC000420984860 559517462 /nfs/dbraw/zinc/51/74/62/559517462.db2.gz UXNAKLYXUQQNBI-OAQYLSRUSA-N 1 3 372.557 2.308 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(Cc3cnn(CC(F)F)c3)CC2)CC1 ZINC000421382543 559540756 /nfs/dbraw/zinc/54/07/56/559540756.db2.gz XYQPWLFPMFKYKO-UHFFFAOYSA-N 1 3 355.477 2.140 20 0 FEADHO CCN1CCC([N@H+]2CCCN(Cc3cnn(CC(F)F)c3)CC2)CC1 ZINC000421382543 559540757 /nfs/dbraw/zinc/54/07/57/559540757.db2.gz XYQPWLFPMFKYKO-UHFFFAOYSA-N 1 3 355.477 2.140 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3cnn(CC(F)F)c3)CC2)CC1 ZINC000421382543 559540758 /nfs/dbraw/zinc/54/07/58/559540758.db2.gz XYQPWLFPMFKYKO-UHFFFAOYSA-N 1 3 355.477 2.140 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2ccc(OC)cc2OC)CC[NH2+]CC1 ZINC000422700455 559603369 /nfs/dbraw/zinc/60/33/69/559603369.db2.gz BWTVOPDEYKYNSR-CQSZACIVSA-N 1 3 350.459 2.115 20 0 FEADHO CN1CCN(Cc2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422709554 559603821 /nfs/dbraw/zinc/60/38/21/559603821.db2.gz KQQGRDOIYAKRLT-BHDDXSALSA-N 1 3 356.558 2.444 20 0 FEADHO C[C@H]1CC[NH2+]CC[C@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000422728101 559604579 /nfs/dbraw/zinc/60/45/79/559604579.db2.gz FBPIUCLOEKLUDV-SWLSCSKDSA-N 1 3 354.292 2.157 20 0 FEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000422755298 559605611 /nfs/dbraw/zinc/60/56/11/559605611.db2.gz BBUPHHSYIQNASF-MJGOQNOKSA-N 1 3 365.543 2.468 20 0 FEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000422772122 559606125 /nfs/dbraw/zinc/60/61/25/559606125.db2.gz YSYMQBODFMQENL-AABGKKOBSA-N 1 3 359.562 2.493 20 0 FEADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)C[C@H]3COCCN3)CC2)c1 ZINC000422808640 559607155 /nfs/dbraw/zinc/60/71/55/559607155.db2.gz LHAZRBGIFZCNSZ-RTWAWAEBSA-N 1 3 374.573 2.254 20 0 FEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422848708 559608419 /nfs/dbraw/zinc/60/84/19/559608419.db2.gz UEEIMQRGOVRWJT-MOPGFXCFSA-N 1 3 373.545 2.021 20 0 FEADHO CCN1CCN(c2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000422884438 559609882 /nfs/dbraw/zinc/60/98/82/559609882.db2.gz WZERFMAKJRVISN-SLFFLAALSA-N 1 3 357.546 2.234 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000422900838 559610475 /nfs/dbraw/zinc/61/04/75/559610475.db2.gz JZNRNZJKNSFXSE-ROUUACIJSA-N 1 3 353.532 2.264 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422902283 559610648 /nfs/dbraw/zinc/61/06/48/559610648.db2.gz MQEUWODXAAEBBI-ROUUACIJSA-N 1 3 353.532 2.122 20 0 FEADHO CCOC(=O)C1([C@H](C)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)CC[NH2+]CC1 ZINC000422920170 559611398 /nfs/dbraw/zinc/61/13/98/559611398.db2.gz LSHLNZHLCRSBFS-SOLBZPMBSA-N 1 3 373.497 2.091 20 0 FEADHO COc1cc2c(cc1OC)CN(C(=O)CCC[NH2+][C@H](C)C[C@@H](C)N)CC2 ZINC000422952014 559612587 /nfs/dbraw/zinc/61/25/87/559612587.db2.gz BGVJLUGKNKNNJM-HUUCEWRRSA-N 1 3 363.502 2.084 20 0 FEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000422963123 559613092 /nfs/dbraw/zinc/61/30/92/559613092.db2.gz HOYLEHAMBHXHOV-RYGJVYDSSA-N 1 3 354.498 2.135 20 0 FEADHO COc1cc(-c2noc(CCCCC[NH2+][C@@H](C)C3CNC3)n2)ccc1O ZINC000422986203 559613963 /nfs/dbraw/zinc/61/39/63/559613963.db2.gz GRPDDLHUQRRRSM-ZDUSSCGKSA-N 1 3 360.458 2.361 20 0 FEADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCOc3ccc(OC)cc32)CC[NH2+]CC1 ZINC000423046802 559616397 /nfs/dbraw/zinc/61/63/97/559616397.db2.gz FUDZKQSWCVLONH-PBHICJAKSA-N 1 3 362.470 2.430 20 0 FEADHO COC[C@@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423067277 559617202 /nfs/dbraw/zinc/61/72/02/559617202.db2.gz GTHQFVPFIDGQSC-TZMCWYRMSA-N 1 3 360.285 2.442 20 0 FEADHO Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423112264 559619718 /nfs/dbraw/zinc/61/97/18/559619718.db2.gz RXGDAOURKPXHHH-UKRRQHHQSA-N 1 3 359.923 2.034 20 0 FEADHO Brc1ccc2c(c1)[C@H](NCCN1CC[NH2+]CC1)CCCO2 ZINC000423207726 559622732 /nfs/dbraw/zinc/62/27/32/559622732.db2.gz SELCTXHKXRZUEC-OAHLLOKOSA-N 1 3 354.292 2.158 20 0 FEADHO COc1ccc2c(c1F)CC[C@@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423379615 559627279 /nfs/dbraw/zinc/62/72/79/559627279.db2.gz DDIRUUYIWCITAM-DZGCQCFKSA-N 1 3 361.383 2.247 20 0 FEADHO CC(=O)Nc1ccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423393900 559627689 /nfs/dbraw/zinc/62/76/89/559627689.db2.gz ROKHSTZNJABNAX-WBMJQRKESA-N 1 3 358.408 2.132 20 0 FEADHO C[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000423410414 559628145 /nfs/dbraw/zinc/62/81/45/559628145.db2.gz RQYFTOVVSYPIMX-WBVHZDCISA-N 1 3 355.486 2.127 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)cc2)CC1 ZINC000423994081 559649592 /nfs/dbraw/zinc/64/95/92/559649592.db2.gz HYFDUPBFYSAWAI-PKOBYXMFSA-N 1 3 358.530 2.274 20 0 FEADHO CC[C@H](C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1)N(CC)CC ZINC000424007648 559650744 /nfs/dbraw/zinc/65/07/44/559650744.db2.gz VPYOYVYXDZQMQD-GOSISDBHSA-N 1 3 362.518 2.030 20 0 FEADHO O=C(NCCC[NH+]1CCCC1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424057925 559653018 /nfs/dbraw/zinc/65/30/18/559653018.db2.gz CEZJFESSVFNZNS-VQTJNVASSA-N 1 3 356.514 2.388 20 0 FEADHO CN(c1ccccc1C[NH2+]C[C@H]1CCN(C)C(=O)C1)C1CCN(C)CC1 ZINC000424188501 559657164 /nfs/dbraw/zinc/65/71/64/559657164.db2.gz LOAHDNMGHUBZGI-KRWDZBQOSA-N 1 3 358.530 2.175 20 0 FEADHO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)cc1OC ZINC000424328708 559661654 /nfs/dbraw/zinc/66/16/54/559661654.db2.gz FQMGNMJVYVVGLV-BRWVUGGUSA-N 1 3 361.486 2.227 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](n3ccnn3)C2)CC1 ZINC000425358139 559698105 /nfs/dbraw/zinc/69/81/05/559698105.db2.gz ZIIDWSILKUVVEC-IBGZPJMESA-N 1 3 354.502 2.257 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](n3ccnn3)C2)CC1 ZINC000425358139 559698106 /nfs/dbraw/zinc/69/81/06/559698106.db2.gz ZIIDWSILKUVVEC-IBGZPJMESA-N 1 3 354.502 2.257 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@]3(F)c3ccccc3)CC2)CC1 ZINC000425445042 559702666 /nfs/dbraw/zinc/70/26/66/559702666.db2.gz NBOLKXGDFPUWDS-FPOVZHCZSA-N 1 3 374.504 2.482 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[N@@H+]1C ZINC000425473125 559704068 /nfs/dbraw/zinc/70/40/68/559704068.db2.gz WZMFUOPYQDVPFP-FRYIKTPZSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[N@H+]1C ZINC000425473125 559704069 /nfs/dbraw/zinc/70/40/69/559704069.db2.gz WZMFUOPYQDVPFP-FRYIKTPZSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425655664 559713273 /nfs/dbraw/zinc/71/32/73/559713273.db2.gz RWDKPPUMLOSPNF-CADBVGFASA-N 1 3 350.551 2.480 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000426617171 559739054 /nfs/dbraw/zinc/73/90/54/559739054.db2.gz DLKNCKRVLVHJNZ-MSOLQXFVSA-N 1 3 366.550 2.146 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000426617171 559739055 /nfs/dbraw/zinc/73/90/55/559739055.db2.gz DLKNCKRVLVHJNZ-MSOLQXFVSA-N 1 3 366.550 2.146 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000427268356 559751723 /nfs/dbraw/zinc/75/17/23/559751723.db2.gz ARYSRORYNHHZCX-IBGZPJMESA-N 1 3 358.530 2.013 20 0 FEADHO CCOC(=O)c1ncn(C2CC[NH+](CCCN3CCCCC3)CC2)c1N ZINC000429708622 559804258 /nfs/dbraw/zinc/80/42/58/559804258.db2.gz KSXNBRXOILHCDC-UHFFFAOYSA-N 1 3 363.506 2.155 20 0 FEADHO C[C@]1(CNC(=O)NCCNc2cc[nH+]cc2)CCCN1Cc1ccccc1 ZINC000430224976 559815474 /nfs/dbraw/zinc/81/54/74/559815474.db2.gz IIRQCXRANKQFDF-OAQYLSRUSA-N 1 3 367.497 2.269 20 0 FEADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430589572 559823793 /nfs/dbraw/zinc/82/37/93/559823793.db2.gz FAOJBVSSWGIYTL-APWZRJJASA-N 1 3 362.493 2.066 20 0 FEADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430589572 559823794 /nfs/dbraw/zinc/82/37/94/559823794.db2.gz FAOJBVSSWGIYTL-APWZRJJASA-N 1 3 362.493 2.066 20 0 FEADHO COCC[C@]1(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)CC[NH2+]C1 ZINC000430700455 559826739 /nfs/dbraw/zinc/82/67/39/559826739.db2.gz BPZLDFAMMHJOTB-RBBKRZOGSA-N 1 3 373.541 2.202 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc2c(c1)COC2 ZINC000432492600 559859754 /nfs/dbraw/zinc/85/97/54/559859754.db2.gz VECNPTZDNMXZEC-HXUWFJFHSA-N 1 3 374.529 2.274 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc2c(c1)COC2 ZINC000432492600 559859755 /nfs/dbraw/zinc/85/97/55/559859755.db2.gz VECNPTZDNMXZEC-HXUWFJFHSA-N 1 3 374.529 2.274 20 0 FEADHO C[C@H](CNC(=O)NCCCN1CCCO[C@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000433283466 559875621 /nfs/dbraw/zinc/87/56/21/559875621.db2.gz CEMGTOGXPZGAQF-KZNAEPCWSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@H](CNC(=O)NCCCN1CCCO[C@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000433283466 559875622 /nfs/dbraw/zinc/87/56/22/559875622.db2.gz CEMGTOGXPZGAQF-KZNAEPCWSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NCC[N@H+](C)C2CCCCC2)CCCO1 ZINC000433321142 559876900 /nfs/dbraw/zinc/87/69/00/559876900.db2.gz NCIWBSXXUDHMMX-KRWDZBQOSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NCC[N@@H+](C)C2CCCCC2)CCCO1 ZINC000433321142 559876901 /nfs/dbraw/zinc/87/69/01/559876901.db2.gz NCIWBSXXUDHMMX-KRWDZBQOSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433409865 559880479 /nfs/dbraw/zinc/88/04/79/559880479.db2.gz JCHXBMUFTJAXLW-ROUUACIJSA-N 1 3 354.539 2.051 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCN2CCCO[C@@H](C)C2)C[C@@H]1C ZINC000433463032 559882073 /nfs/dbraw/zinc/88/20/73/559882073.db2.gz NLQCWLURYZVTEY-BZSNNMDCSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCCN2CCCO[C@@H](C)C2)C[C@@H]1C ZINC000433463032 559882074 /nfs/dbraw/zinc/88/20/74/559882074.db2.gz NLQCWLURYZVTEY-BZSNNMDCSA-N 1 3 354.539 2.002 20 0 FEADHO C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000433553332 559884029 /nfs/dbraw/zinc/88/40/29/559884029.db2.gz JORIWFIXCUYOJY-IBGZPJMESA-N 1 3 374.529 2.443 20 0 FEADHO CCN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435618660 559926402 /nfs/dbraw/zinc/92/64/02/559926402.db2.gz RBAAYJXGCJAWQA-CQSZACIVSA-N 1 3 366.893 2.232 20 0 FEADHO CC[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@@H]1CCCNCC1 ZINC000435618660 559926403 /nfs/dbraw/zinc/92/64/03/559926403.db2.gz RBAAYJXGCJAWQA-CQSZACIVSA-N 1 3 366.893 2.232 20 0 FEADHO CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@@H]1CCCNCC1 ZINC000435618660 559926404 /nfs/dbraw/zinc/92/64/04/559926404.db2.gz RBAAYJXGCJAWQA-CQSZACIVSA-N 1 3 366.893 2.232 20 0 FEADHO CN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435756266 559929676 /nfs/dbraw/zinc/92/96/76/559929676.db2.gz PKVRDYPRZYRXQV-LJQANCHMSA-N 1 3 358.530 2.189 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000438869240 559984761 /nfs/dbraw/zinc/98/47/61/559984761.db2.gz RMGNEIQBZKNNGD-SJLPKXTDSA-N 1 3 356.580 2.233 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000438869240 559984762 /nfs/dbraw/zinc/98/47/62/559984762.db2.gz RMGNEIQBZKNNGD-SJLPKXTDSA-N 1 3 356.580 2.233 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000439086301 559988181 /nfs/dbraw/zinc/98/81/81/559988181.db2.gz BASVBDIATKWUSP-JKSUJKDBSA-N 1 3 362.518 2.330 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1F ZINC000443057578 560068112 /nfs/dbraw/zinc/06/81/12/560068112.db2.gz HDKGQUKKOKEPLZ-GJZGRUSLSA-N 1 3 351.466 2.242 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)c1 ZINC000444273294 560107706 /nfs/dbraw/zinc/10/77/06/560107706.db2.gz MSTPKRQAECHTPX-RBBKRZOGSA-N 1 3 370.541 2.013 20 0 FEADHO CCOc1cc(CNCCC[N@@H+]2CCCN(C)CC2)c(F)cc1OC ZINC000527652599 562298837 /nfs/dbraw/zinc/29/88/37/562298837.db2.gz GBBAYUIHKVUINE-UHFFFAOYSA-N 1 3 353.482 2.350 20 0 FEADHO CCOc1cc(CNCCC[N@H+]2CCCN(C)CC2)c(F)cc1OC ZINC000527652599 562298838 /nfs/dbraw/zinc/29/88/38/562298838.db2.gz GBBAYUIHKVUINE-UHFFFAOYSA-N 1 3 353.482 2.350 20 0 FEADHO C[NH+](C)CCOc1ccc(CNC(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC000527676721 562299827 /nfs/dbraw/zinc/29/98/27/562299827.db2.gz RNQOHMNAZCZLKW-IBGZPJMESA-N 1 3 374.529 2.443 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000446287667 560143674 /nfs/dbraw/zinc/14/36/74/560143674.db2.gz JEYAEKMMMIXPSC-JYLXEMOASA-N 1 3 371.525 2.472 20 0 FEADHO C[NH+](C)C1(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CCCCCC1 ZINC000446290982 560143698 /nfs/dbraw/zinc/14/36/98/560143698.db2.gz FJRKVBQAKPTPQW-JXXFODFXSA-N 1 3 351.535 2.290 20 0 FEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000448255163 560181804 /nfs/dbraw/zinc/18/18/04/560181804.db2.gz IDIIYIMUGZYVPD-ZWKOTPCHSA-N 1 3 350.551 2.480 20 0 FEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000448255163 560181805 /nfs/dbraw/zinc/18/18/05/560181805.db2.gz IDIIYIMUGZYVPD-ZWKOTPCHSA-N 1 3 350.551 2.480 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCN(c4ccccc4)C3)CC2)CC1 ZINC000448836728 560201659 /nfs/dbraw/zinc/20/16/59/560201659.db2.gz QJRHFTKTUNQASX-GOSISDBHSA-N 1 3 370.541 2.188 20 0 FEADHO CCOC(=O)c1cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[nH]c1C ZINC000449236916 560221223 /nfs/dbraw/zinc/22/12/23/560221223.db2.gz ZXAMKJUFRVIXKZ-LJQANCHMSA-N 1 3 371.481 2.356 20 0 FEADHO CCOC(=O)c1cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[nH]c1C ZINC000449236916 560221225 /nfs/dbraw/zinc/22/12/25/560221225.db2.gz ZXAMKJUFRVIXKZ-LJQANCHMSA-N 1 3 371.481 2.356 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)C[C@H](C)O1 ZINC000450476135 560263409 /nfs/dbraw/zinc/26/34/09/560263409.db2.gz NEUSFPUITNPHDQ-SCTDSRPQSA-N 1 3 351.535 2.114 20 0 FEADHO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(F)c(CN2CC[C@H](CO)[C@@H]2C)c1 ZINC000450883341 560276611 /nfs/dbraw/zinc/27/66/11/560276611.db2.gz PTYUYGBKKRKYHH-MXSMSXNCSA-N 1 3 350.478 2.231 20 0 FEADHO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(F)c(CN2CC[C@H](CO)[C@@H]2C)c1 ZINC000450883341 560276612 /nfs/dbraw/zinc/27/66/12/560276612.db2.gz PTYUYGBKKRKYHH-MXSMSXNCSA-N 1 3 350.478 2.231 20 0 FEADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(CCN(C)c3ccccc3)C2)CC1 ZINC000451528478 560312103 /nfs/dbraw/zinc/31/21/03/560312103.db2.gz FFHNZISCUFALDO-NRFANRHFSA-N 1 3 372.557 2.389 20 0 FEADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(CCN(C)c3ccccc3)C2)CC1 ZINC000451528478 560312104 /nfs/dbraw/zinc/31/21/04/560312104.db2.gz FFHNZISCUFALDO-NRFANRHFSA-N 1 3 372.557 2.389 20 0 FEADHO COC(=O)[C@H]1C[N@H+](CCCN2CCN(C(C)C)CC2)C[C@H]1c1ccccc1 ZINC000451998914 560344230 /nfs/dbraw/zinc/34/42/30/560344230.db2.gz CFMZRFWYEMHFRX-SFTDATJTSA-N 1 3 373.541 2.291 20 0 FEADHO COC(=O)[C@H]1C[N@@H+](CCCN2CCN(C(C)C)CC2)C[C@H]1c1ccccc1 ZINC000451998914 560344231 /nfs/dbraw/zinc/34/42/31/560344231.db2.gz CFMZRFWYEMHFRX-SFTDATJTSA-N 1 3 373.541 2.291 20 0 FEADHO CC1(C(=O)NC[C@@H]2CCCN2CCCO)CC[NH+](Cc2ccccc2)CC1 ZINC000452361273 560360174 /nfs/dbraw/zinc/36/01/74/560360174.db2.gz JVNMQYQXFDIHMC-FQEVSTJZSA-N 1 3 373.541 2.252 20 0 FEADHO CN1CCC(O)(C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453138747 560383771 /nfs/dbraw/zinc/38/37/71/560383771.db2.gz YRAXUTGIDJAUDH-QZTJIDSGSA-N 1 3 352.906 2.476 20 0 FEADHO CSC1(CNC(=O)NCCCCC[NH+]2CCCC2)CCN(C)CC1 ZINC000454973579 560465667 /nfs/dbraw/zinc/46/56/67/560465667.db2.gz OHXFPQHIQKUUAQ-UHFFFAOYSA-N 1 3 356.580 2.379 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000455561011 560487226 /nfs/dbraw/zinc/48/72/26/560487226.db2.gz MTDZWTGAFZPVJM-UHFFFAOYSA-N 1 3 366.550 2.192 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccnn2CCN(C)C)CC1 ZINC000455643354 560490390 /nfs/dbraw/zinc/49/03/90/560490390.db2.gz AKIJYBSKUXOUDM-UHFFFAOYSA-N 1 3 364.538 2.324 20 0 FEADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+](C2CC2)C1 ZINC000457487795 560570112 /nfs/dbraw/zinc/57/01/12/560570112.db2.gz JEEJHTQKZAXMEH-PKOBYXMFSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+](C2CC2)C1 ZINC000457487795 560570113 /nfs/dbraw/zinc/57/01/13/560570113.db2.gz JEEJHTQKZAXMEH-PKOBYXMFSA-N 1 3 356.514 2.387 20 0 FEADHO O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)C1C[NH+](C2CCCCC2)C1 ZINC000457826698 560589511 /nfs/dbraw/zinc/58/95/11/560589511.db2.gz MLKJISBXMMZJNK-FQEVSTJZSA-N 1 3 357.498 2.456 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)N(C)C)cc1 ZINC000458897217 560654726 /nfs/dbraw/zinc/65/47/26/560654726.db2.gz OZTGMBTZXTWBBI-RYQLBKOJSA-N 1 3 362.543 2.357 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)N(C)C)cc1 ZINC000458897217 560654727 /nfs/dbraw/zinc/65/47/27/560654727.db2.gz OZTGMBTZXTWBBI-RYQLBKOJSA-N 1 3 362.543 2.357 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CCCC2)[C@H]1Sc1ccccc1 ZINC000459471926 560688422 /nfs/dbraw/zinc/68/84/22/560688422.db2.gz OBJGAFHCEHVNSH-GDAAHCPNSA-N 1 3 350.528 2.371 20 0 FEADHO C[N@@H+]1CCC[C@@H](CCNCc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000459740268 560705399 /nfs/dbraw/zinc/70/53/99/560705399.db2.gz UAGLOTQDFVOGMA-SFHVURJKSA-N 1 3 359.514 2.413 20 0 FEADHO C[N@H+]1CCC[C@@H](CCNCc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000459740268 560705400 /nfs/dbraw/zinc/70/54/00/560705400.db2.gz UAGLOTQDFVOGMA-SFHVURJKSA-N 1 3 359.514 2.413 20 0 FEADHO C[C@H]([NH2+]C1(CNC(=O)NC[C@]2(O)CCN(C)C2)CCCC1)c1ccccc1 ZINC000460272035 560740041 /nfs/dbraw/zinc/74/00/41/560740041.db2.gz UDCTXQKPGWZIKT-LAUBAEHRSA-N 1 3 374.529 2.016 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1COc2ccccc21 ZINC000461752349 560781634 /nfs/dbraw/zinc/78/16/34/560781634.db2.gz UAGNYNQEUGFPPL-MSOLQXFVSA-N 1 3 374.529 2.220 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1COc2ccccc21 ZINC000461752349 560781635 /nfs/dbraw/zinc/78/16/35/560781635.db2.gz UAGNYNQEUGFPPL-MSOLQXFVSA-N 1 3 374.529 2.220 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCN1C ZINC000465582675 560869021 /nfs/dbraw/zinc/86/90/21/560869021.db2.gz ZMFONHUGCBZXMK-PXNSSMCTSA-N 1 3 358.530 2.475 20 0 FEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000465603387 560869386 /nfs/dbraw/zinc/86/93/86/560869386.db2.gz PUUWUIWKCMFMIK-OALUTQOASA-N 1 3 368.566 2.251 20 0 FEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000465603387 560869388 /nfs/dbraw/zinc/86/93/88/560869388.db2.gz PUUWUIWKCMFMIK-OALUTQOASA-N 1 3 368.566 2.251 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000465911015 560875673 /nfs/dbraw/zinc/87/56/73/560875673.db2.gz PTNKZVSPDJPXBU-KRWDZBQOSA-N 1 3 368.566 2.392 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000465911015 560875674 /nfs/dbraw/zinc/87/56/74/560875674.db2.gz PTNKZVSPDJPXBU-KRWDZBQOSA-N 1 3 368.566 2.392 20 0 FEADHO COCCN1CC[C@@H](NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000465950126 560876983 /nfs/dbraw/zinc/87/69/83/560876983.db2.gz LWBGYXWXVJGKIR-UYAOXDASSA-N 1 3 374.529 2.013 20 0 FEADHO COCCN1CC[C@@H](NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000465950126 560876984 /nfs/dbraw/zinc/87/69/84/560876984.db2.gz LWBGYXWXVJGKIR-UYAOXDASSA-N 1 3 374.529 2.013 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000466049255 560879227 /nfs/dbraw/zinc/87/92/27/560879227.db2.gz KLMBVHGNWQWOTB-CRAIPNDOSA-N 1 3 350.482 2.382 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[N@H+]1C ZINC000466049255 560879229 /nfs/dbraw/zinc/87/92/29/560879229.db2.gz KLMBVHGNWQWOTB-CRAIPNDOSA-N 1 3 350.482 2.382 20 0 FEADHO O=S(=O)(NCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000467414966 560909692 /nfs/dbraw/zinc/90/96/92/560909692.db2.gz XKUCBZWQMBNQQK-GJZGRUSLSA-N 1 3 371.934 2.225 20 0 FEADHO O=S(=O)(NCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000467414966 560909693 /nfs/dbraw/zinc/90/96/93/560909693.db2.gz XKUCBZWQMBNQQK-GJZGRUSLSA-N 1 3 371.934 2.225 20 0 FEADHO C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000469484725 560956338 /nfs/dbraw/zinc/95/63/38/560956338.db2.gz XMZAMSKNLSUDRW-HXUWFJFHSA-N 1 3 359.514 2.050 20 0 FEADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000469913183 560968824 /nfs/dbraw/zinc/96/88/24/560968824.db2.gz ARUZKAUOLLDNCP-HXUWFJFHSA-N 1 3 359.514 2.465 20 0 FEADHO Cc1c(-c2nc(-c3ccc(CN(C)C)cc3)no2)nnn1C1CC[NH2+]CC1 ZINC000472448067 561026724 /nfs/dbraw/zinc/02/67/24/561026724.db2.gz GMHSRLHIAWBQQP-UHFFFAOYSA-N 1 3 367.457 2.290 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000476449188 561119712 /nfs/dbraw/zinc/11/97/12/561119712.db2.gz XNKGKFOKHZSKNY-LJQANCHMSA-N 1 3 366.550 2.146 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@]1(C)Br ZINC000528335770 562323417 /nfs/dbraw/zinc/32/34/17/562323417.db2.gz OSTCPGLTWDWHEF-YCPHGPKFSA-N 1 3 360.340 2.034 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@]1(C)Br ZINC000528335770 562323418 /nfs/dbraw/zinc/32/34/18/562323418.db2.gz OSTCPGLTWDWHEF-YCPHGPKFSA-N 1 3 360.340 2.034 20 0 FEADHO CC(=O)c1ccc(NC(=O)CCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530241470 562403772 /nfs/dbraw/zinc/40/37/72/562403772.db2.gz QFJDRIGGWAQQOG-HXUWFJFHSA-N 1 3 373.497 2.308 20 0 FEADHO C[N@H+](CCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000530813681 562424758 /nfs/dbraw/zinc/42/47/58/562424758.db2.gz BKJDOPNYYIVMQE-JOCHJYFZSA-N 1 3 373.541 2.394 20 0 FEADHO C[N@@H+](CCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000530813681 562424759 /nfs/dbraw/zinc/42/47/59/562424759.db2.gz BKJDOPNYYIVMQE-JOCHJYFZSA-N 1 3 373.541 2.394 20 0 FEADHO C[C@H](CNC(=O)CC1(N2CCOCC2)CCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000530812930 562424877 /nfs/dbraw/zinc/42/48/77/562424877.db2.gz KXTCPWBBAPCOTQ-ZWKOTPCHSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@H](CNC(=O)CC1(N2CCOCC2)CCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000530812930 562424878 /nfs/dbraw/zinc/42/48/78/562424878.db2.gz KXTCPWBBAPCOTQ-ZWKOTPCHSA-N 1 3 351.535 2.258 20 0 FEADHO CC[N@@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCN(C)CC2)[C@@H](C)C1 ZINC000531932274 562462080 /nfs/dbraw/zinc/46/20/80/562462080.db2.gz AZQADVCYCHRERA-OKZBNKHCSA-N 1 3 350.576 2.357 20 0 FEADHO CC[N@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCN(C)CC2)[C@@H](C)C1 ZINC000531932274 562462081 /nfs/dbraw/zinc/46/20/81/562462081.db2.gz AZQADVCYCHRERA-OKZBNKHCSA-N 1 3 350.576 2.357 20 0 FEADHO CCN1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)[C@@H](C)C1 ZINC000531932274 562462082 /nfs/dbraw/zinc/46/20/82/562462082.db2.gz AZQADVCYCHRERA-OKZBNKHCSA-N 1 3 350.576 2.357 20 0 FEADHO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000532286384 562472849 /nfs/dbraw/zinc/47/28/49/562472849.db2.gz HARGECRWZXCNPT-IBGZPJMESA-N 1 3 370.497 2.477 20 0 FEADHO CN(CCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000533772474 562517880 /nfs/dbraw/zinc/51/78/80/562517880.db2.gz SOIHAYPFLURJHV-FQEVSTJZSA-N 1 3 358.530 2.492 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)Cc1ccccc1 ZINC000533811391 562518774 /nfs/dbraw/zinc/51/87/74/562518774.db2.gz CKNUTQOFWNSFBU-PMACEKPBSA-N 1 3 358.530 2.429 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000533855359 562519848 /nfs/dbraw/zinc/51/98/48/562519848.db2.gz QUHUTSHYHIKEQQ-UHFFFAOYSA-N 1 3 363.893 2.091 20 0 FEADHO CN(C)CCOc1cc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)ccn1 ZINC000536828191 562581134 /nfs/dbraw/zinc/58/11/34/562581134.db2.gz QKPKTVCNLHAJSW-UHFFFAOYSA-N 1 3 361.408 2.348 20 0 FEADHO Cc1nn(-c2ccncc2)cc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000541536667 562614853 /nfs/dbraw/zinc/61/48/53/562614853.db2.gz HJOGYVCPBOXIAZ-DYESRHJHSA-N 1 3 368.529 2.034 20 0 FEADHO C[NH+](C)CCCN[C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000541548423 562615027 /nfs/dbraw/zinc/61/50/27/562615027.db2.gz DHFCMEKHDDICQL-SFHVURJKSA-N 1 3 366.937 2.120 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCCN3CCN(c4ccccc4)CC3)C[C@@H]21 ZINC000563110019 568195438 /nfs/dbraw/zinc/19/54/38/568195438.db2.gz ZNOOISIZTRRLEK-SESVDKBCSA-N 1 3 370.541 2.175 20 0 FEADHO OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826509386 608511831 /nfs/dbraw/zinc/51/18/31/608511831.db2.gz UKVYSGZPZPWIKU-IEBWSBKVSA-N 1 3 370.501 2.071 20 0 FEADHO OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826509386 608511833 /nfs/dbraw/zinc/51/18/33/608511833.db2.gz UKVYSGZPZPWIKU-IEBWSBKVSA-N 1 3 370.501 2.071 20 0 FEADHO OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826509386 608511837 /nfs/dbraw/zinc/51/18/37/608511837.db2.gz UKVYSGZPZPWIKU-IEBWSBKVSA-N 1 3 370.501 2.071 20 0 FEADHO OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826509386 608511840 /nfs/dbraw/zinc/51/18/40/608511840.db2.gz UKVYSGZPZPWIKU-IEBWSBKVSA-N 1 3 370.501 2.071 20 0 FEADHO C[C@H]1CCC[N@H+](CCNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000561483000 674671429 /nfs/dbraw/zinc/67/14/29/674671429.db2.gz ASVNEADQVMUCFJ-KRWDZBQOSA-N 1 3 350.507 2.475 20 0 FEADHO C[C@H]1CCC[N@@H+](CCNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000561483000 674671433 /nfs/dbraw/zinc/67/14/33/674671433.db2.gz ASVNEADQVMUCFJ-KRWDZBQOSA-N 1 3 350.507 2.475 20 0 FEADHO C[NH+]1CCC2(CC1)NC(=O)N(CN(CC(C)(C)C)CC(C)(C)C)C2=O ZINC000091588402 670728677 /nfs/dbraw/zinc/72/86/77/670728677.db2.gz CCVNFCHTTQIBEN-UHFFFAOYSA-N 1 3 352.523 2.354 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC1CCC(C(=O)OC(C)(C)C)CC1 ZINC000093888082 670755715 /nfs/dbraw/zinc/75/57/15/670755715.db2.gz QCTZMZNMPUCHCB-UYSNPLJNSA-N 1 3 352.523 2.276 20 0 FEADHO CCN1CCN(CCC(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)CC1 ZINC000571142212 670822861 /nfs/dbraw/zinc/82/28/61/670822861.db2.gz YDLMZJDJJYJKRQ-UHFFFAOYSA-N 1 3 352.567 2.127 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000571175632 670829782 /nfs/dbraw/zinc/82/97/82/670829782.db2.gz HMBAAHXECJMTOY-UHFFFAOYSA-N 1 3 353.551 2.315 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000571175632 670829787 /nfs/dbraw/zinc/82/97/87/670829787.db2.gz HMBAAHXECJMTOY-UHFFFAOYSA-N 1 3 353.551 2.315 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000573729109 671157351 /nfs/dbraw/zinc/15/73/51/671157351.db2.gz OYBXGSMQHFNFCR-HKUYNNGSSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000573729109 671157353 /nfs/dbraw/zinc/15/73/53/671157353.db2.gz OYBXGSMQHFNFCR-HKUYNNGSSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)C1C[NH2+]C1 ZINC000574037241 671195155 /nfs/dbraw/zinc/19/51/55/671195155.db2.gz IDBVSSHUGHPCSQ-CQSZACIVSA-N 1 3 365.905 2.155 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H](NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000575430192 671313126 /nfs/dbraw/zinc/31/31/26/671313126.db2.gz SNBBQELAKVDXOV-GHMZBOCLSA-N 1 3 366.314 2.131 20 0 FEADHO CCCCCCN(C)CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000121981974 671960874 /nfs/dbraw/zinc/96/08/74/671960874.db2.gz ONXHUKFISSSBNF-OALUTQOASA-N 1 3 353.551 2.383 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC[C@@H]3CCCO3)CC2)CC1 ZINC000582973773 672051471 /nfs/dbraw/zinc/05/14/71/672051471.db2.gz IZOISCKQEUAPMO-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO CC(C)[NH2+]CCC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000583202842 672073444 /nfs/dbraw/zinc/07/34/44/672073444.db2.gz SHNAIWAPEKIVQR-UHFFFAOYSA-N 1 3 351.466 2.173 20 0 FEADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000583810347 672128457 /nfs/dbraw/zinc/12/84/57/672128457.db2.gz IFNXVEDMHDAADU-RDTXWAMCSA-N 1 3 365.905 2.297 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccccc1Cl)N(C)C ZINC000245926845 672826669 /nfs/dbraw/zinc/82/66/69/672826669.db2.gz WVIYOIJEESOLBH-RHSMWYFYSA-N 1 3 351.926 2.331 20 0 FEADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(Br)c2cccnc12 ZINC000317334718 673034438 /nfs/dbraw/zinc/03/44/38/673034438.db2.gz PTVYWWGBLFEIQU-UHFFFAOYSA-N 1 3 363.303 2.334 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000390003710 673160015 /nfs/dbraw/zinc/16/00/15/673160015.db2.gz VJBRUAWGQUYWPA-UKPHBRMFSA-N 1 3 355.404 2.165 20 0 FEADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000486635626 673324409 /nfs/dbraw/zinc/32/44/09/673324409.db2.gz XQMXQVVYGHHOMG-QAPCUYQASA-N 1 3 350.507 2.327 20 0 FEADHO CCS(=O)(=O)N1CCC(C[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000544606226 673720427 /nfs/dbraw/zinc/72/04/27/673720427.db2.gz RGBLQRDIQSPNRL-UHFFFAOYSA-N 1 3 357.564 2.045 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@@H]3COC)CC2)CC1 ZINC000566467200 675216937 /nfs/dbraw/zinc/21/69/37/675216937.db2.gz ULOCPIMKYYRHRG-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1SCCc2sccc21 ZINC000617505604 676288904 /nfs/dbraw/zinc/28/89/04/676288904.db2.gz JPACNTXTVWECBB-XJKSGUPXSA-N 1 3 355.573 2.467 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1SCCc2sccc21 ZINC000617505604 676288905 /nfs/dbraw/zinc/28/89/05/676288905.db2.gz JPACNTXTVWECBB-XJKSGUPXSA-N 1 3 355.573 2.467 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000617505820 676289436 /nfs/dbraw/zinc/28/94/36/676289436.db2.gz RAHVHGGZWBBANS-ZNMIVQPWSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000617505820 676289438 /nfs/dbraw/zinc/28/94/38/676289438.db2.gz RAHVHGGZWBBANS-ZNMIVQPWSA-N 1 3 353.457 2.457 20 0 FEADHO Cc1nn2c(CNCCC[N@@H+]3CCCN(C)CC3)c(C(C)C)nc2s1 ZINC000678012799 679709566 /nfs/dbraw/zinc/70/95/66/679709566.db2.gz SDAOAQOLCLLDHD-UHFFFAOYSA-N 1 3 364.563 2.340 20 0 FEADHO Cc1nn2c(CNCCC[N@H+]3CCCN(C)CC3)c(C(C)C)nc2s1 ZINC000678012799 679709568 /nfs/dbraw/zinc/70/95/68/679709568.db2.gz SDAOAQOLCLLDHD-UHFFFAOYSA-N 1 3 364.563 2.340 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000629650376 676863911 /nfs/dbraw/zinc/86/39/11/676863911.db2.gz SSBQWUDRQSNRJB-HOCLYGCPSA-N 1 3 351.441 2.342 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000629650376 676863914 /nfs/dbraw/zinc/86/39/14/676863914.db2.gz SSBQWUDRQSNRJB-HOCLYGCPSA-N 1 3 351.441 2.342 20 0 FEADHO COc1cc(Cl)c(CNCCC[N@@H+]2CCCN(C)CC2)cc1OC ZINC000631064523 676931697 /nfs/dbraw/zinc/93/16/97/676931697.db2.gz OQESYVGGCAJGPG-UHFFFAOYSA-N 1 3 355.910 2.474 20 0 FEADHO COc1cc(Cl)c(CNCCC[N@H+]2CCCN(C)CC2)cc1OC ZINC000631064523 676931698 /nfs/dbraw/zinc/93/16/98/676931698.db2.gz OQESYVGGCAJGPG-UHFFFAOYSA-N 1 3 355.910 2.474 20 0 FEADHO CN(C)Cc1ccsc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000634196208 677072655 /nfs/dbraw/zinc/07/26/55/677072655.db2.gz PAYMDBBDTAPLKZ-UHFFFAOYSA-N 1 3 359.499 2.209 20 0 FEADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNC[C@H](CO)c1ccc(Cl)cc1 ZINC000634731016 677080864 /nfs/dbraw/zinc/08/08/64/677080864.db2.gz BNRNZVVBWFQBLY-UYAOXDASSA-N 1 3 362.901 2.498 20 0 FEADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNC[C@H](CO)c1ccc(Cl)cc1 ZINC000634731016 677080865 /nfs/dbraw/zinc/08/08/65/677080865.db2.gz BNRNZVVBWFQBLY-UYAOXDASSA-N 1 3 362.901 2.498 20 0 FEADHO COC[C@]1(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCCCN1 ZINC000638290469 677142815 /nfs/dbraw/zinc/14/28/15/677142815.db2.gz GUPVDEKASRHAFA-FQEVSTJZSA-N 1 3 351.535 2.260 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccn(C(F)F)c2=O)[C@@H](C)C1 ZINC000638593981 677147568 /nfs/dbraw/zinc/14/75/68/677147568.db2.gz BBQYKQMQLWMDLN-GOEBONIOSA-N 1 3 357.445 2.470 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCC(CC)([NH+]3CCCC3)CC2)C1(C)C ZINC000638862010 677151292 /nfs/dbraw/zinc/15/12/92/677151292.db2.gz JMQMVEPRBIUCFY-OXQOHEQNSA-N 1 3 351.535 2.386 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649287583 677328772 /nfs/dbraw/zinc/32/87/72/677328772.db2.gz RUIMVHSQSALSQD-QGZVFWFLSA-N 1 3 351.441 2.274 20 0 FEADHO COc1cc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc(OC)c1O ZINC000650708739 677386934 /nfs/dbraw/zinc/38/69/34/677386934.db2.gz KNOUMZQDCFSDLI-XHSDSOJGSA-N 1 3 350.459 2.128 20 0 FEADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348270 677481073 /nfs/dbraw/zinc/48/10/73/677481073.db2.gz ZOEMPCKNEUALTI-GLMCCMHUSA-N 1 3 351.535 2.288 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655467791 677642369 /nfs/dbraw/zinc/64/23/69/677642369.db2.gz KJBYLPUNQCHIJQ-APWZRJJASA-N 1 3 351.441 2.245 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000655925811 677693162 /nfs/dbraw/zinc/69/31/62/677693162.db2.gz FQJPRCVJBNQJDC-STQMWFEESA-N 1 3 364.437 2.200 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000658979637 678142645 /nfs/dbraw/zinc/14/26/45/678142645.db2.gz GKEQTYBYPGMZPI-HUUCEWRRSA-N 1 3 352.454 2.310 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3C(C)(C)C3(F)F)CC2)CC1 ZINC000660572420 678359232 /nfs/dbraw/zinc/35/92/32/678359232.db2.gz CFYSIGLQBRHZCR-OAHLLOKOSA-N 1 3 358.477 2.136 20 0 FEADHO C[C@@H]1CCCN(CCOc2ccc(S(C)(=O)=O)cc2)[C@@H]1CCC[NH3+] ZINC000662313753 678603232 /nfs/dbraw/zinc/60/32/32/678603232.db2.gz LUNXMNMYOQAFQE-CRAIPNDOSA-N 1 3 354.516 2.308 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000663735808 678782806 /nfs/dbraw/zinc/78/28/06/678782806.db2.gz TXJIPLRQQFQYSR-ZOBUZTSGSA-N 1 3 350.507 2.474 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000663735808 678782810 /nfs/dbraw/zinc/78/28/10/678782810.db2.gz TXJIPLRQQFQYSR-ZOBUZTSGSA-N 1 3 350.507 2.474 20 0 FEADHO CC(C)n1cc([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000664101784 678831611 /nfs/dbraw/zinc/83/16/11/678831611.db2.gz RETOCPJYMZDPIM-HOTGVXAUSA-N 1 3 352.527 2.096 20 0 FEADHO CC(C)n1cc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000664101784 678831613 /nfs/dbraw/zinc/83/16/13/678831613.db2.gz RETOCPJYMZDPIM-HOTGVXAUSA-N 1 3 352.527 2.096 20 0 FEADHO CC(C)O[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000664678301 678912855 /nfs/dbraw/zinc/91/28/55/678912855.db2.gz QUAIXGQIJYUJAI-GVDBMIGSSA-N 1 3 356.555 2.150 20 0 FEADHO CC(C)O[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000664678301 678912856 /nfs/dbraw/zinc/91/28/56/678912856.db2.gz QUAIXGQIJYUJAI-GVDBMIGSSA-N 1 3 356.555 2.150 20 0 FEADHO COc1cccc(CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000665636739 678974236 /nfs/dbraw/zinc/97/42/36/678974236.db2.gz HWNPIUAZZUTPIB-INIZCTEOSA-N 1 3 350.507 2.109 20 0 FEADHO COc1cccc(CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000665636739 678974237 /nfs/dbraw/zinc/97/42/37/678974237.db2.gz HWNPIUAZZUTPIB-INIZCTEOSA-N 1 3 350.507 2.109 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000666469778 679026740 /nfs/dbraw/zinc/02/67/40/679026740.db2.gz MKTQTTCFDKWCAF-LBPRGKRZSA-N 1 3 361.412 2.494 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000666469778 679026742 /nfs/dbraw/zinc/02/67/42/679026742.db2.gz MKTQTTCFDKWCAF-LBPRGKRZSA-N 1 3 361.412 2.494 20 0 FEADHO CN(C)Cc1ccsc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000674878588 679512647 /nfs/dbraw/zinc/51/26/47/679512647.db2.gz JCVQHXQCFCGWRW-QGZVFWFLSA-N 1 3 364.559 2.050 20 0 FEADHO CN(C)Cc1ccsc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000674878588 679512649 /nfs/dbraw/zinc/51/26/49/679512649.db2.gz JCVQHXQCFCGWRW-QGZVFWFLSA-N 1 3 364.559 2.050 20 0 FEADHO CN(C)Cc1ccsc1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000674878588 679512652 /nfs/dbraw/zinc/51/26/52/679512652.db2.gz JCVQHXQCFCGWRW-QGZVFWFLSA-N 1 3 364.559 2.050 20 0 FEADHO CCc1nc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001023990541 680276657 /nfs/dbraw/zinc/27/66/57/680276657.db2.gz AWLXVKNRKXKHBO-HLLBOEOZSA-N 1 3 364.559 2.374 20 0 FEADHO CCc1nc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001023990541 680276660 /nfs/dbraw/zinc/27/66/60/680276660.db2.gz AWLXVKNRKXKHBO-HLLBOEOZSA-N 1 3 364.559 2.374 20 0 FEADHO Cc1ncsc1CN(C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001029965835 680394796 /nfs/dbraw/zinc/39/47/96/680394796.db2.gz BUARAZYVXNDWKX-NVXWUHKLSA-N 1 3 364.559 2.462 20 0 FEADHO Cc1ncsc1CN(C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001029965835 680394797 /nfs/dbraw/zinc/39/47/97/680394797.db2.gz BUARAZYVXNDWKX-NVXWUHKLSA-N 1 3 364.559 2.462 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)Cc3cncs3)CC2)CC[N@@H+]1C ZINC001029965794 680394835 /nfs/dbraw/zinc/39/48/35/680394835.db2.gz AZWUEDFZZVZOLN-RHSMWYFYSA-N 1 3 350.532 2.154 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)Cc3cncs3)CC2)CC[N@H+]1C ZINC001029965794 680394836 /nfs/dbraw/zinc/39/48/36/680394836.db2.gz AZWUEDFZZVZOLN-RHSMWYFYSA-N 1 3 350.532 2.154 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ccnc(Cl)c2)CC[N@@H+]1C ZINC001034939580 680440467 /nfs/dbraw/zinc/44/04/67/680440467.db2.gz GVCLGTVPHPNOAY-FVQBIDKESA-N 1 3 350.894 2.156 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ccnc(Cl)c2)CC[N@H+]1C ZINC001034939580 680440472 /nfs/dbraw/zinc/44/04/72/680440472.db2.gz GVCLGTVPHPNOAY-FVQBIDKESA-N 1 3 350.894 2.156 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc(Cl)n1 ZINC000841854784 680914870 /nfs/dbraw/zinc/91/48/70/680914870.db2.gz APZBGAYHFSXRPR-FVQBIDKESA-N 1 3 350.894 2.424 20 0 FEADHO CC(C)[N@@H+]1CCC[C@H](COC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000842836204 680970523 /nfs/dbraw/zinc/97/05/23/680970523.db2.gz NOCFGMQEOFRLGU-AVGNSLFASA-N 1 3 350.381 2.107 20 0 FEADHO CC(C)[N@H+]1CCC[C@H](COC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000842836204 680970526 /nfs/dbraw/zinc/97/05/26/680970526.db2.gz NOCFGMQEOFRLGU-AVGNSLFASA-N 1 3 350.381 2.107 20 0 FEADHO CN(C[C@@](C)(O)C[N@H+](C)CC[C@H]1CCCCN1C)C(=O)OC(C)(C)C ZINC000844301305 681049276 /nfs/dbraw/zinc/04/92/76/681049276.db2.gz VHMJCBZXOFXFMF-APWZRJJASA-N 1 3 357.539 2.411 20 0 FEADHO CN(C[C@@](C)(O)C[N@@H+](C)CC[C@H]1CCCCN1C)C(=O)OC(C)(C)C ZINC000844301305 681049278 /nfs/dbraw/zinc/04/92/78/681049278.db2.gz VHMJCBZXOFXFMF-APWZRJJASA-N 1 3 357.539 2.411 20 0 FEADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846806337 681292123 /nfs/dbraw/zinc/29/21/23/681292123.db2.gz MWYIONWGAHCIBY-LPHOPBHVSA-N 1 3 355.523 2.165 20 0 FEADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846806337 681292125 /nfs/dbraw/zinc/29/21/25/681292125.db2.gz MWYIONWGAHCIBY-LPHOPBHVSA-N 1 3 355.523 2.165 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cnc(F)c(F)c3)CC2)CC1 ZINC000934396800 681564343 /nfs/dbraw/zinc/56/43/43/681564343.db2.gz PZHSIZRKJSOSBC-UHFFFAOYSA-N 1 3 353.417 2.040 20 0 FEADHO C[C@]1(CN2CCC([C@@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)CC[NH2+]C1 ZINC000849352279 681693271 /nfs/dbraw/zinc/69/32/71/681693271.db2.gz KAZVMZRWBJJBMR-WBVHZDCISA-N 1 3 361.452 2.499 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3sc(C)nc3C)C2)CC[N@@H+]1C ZINC000968738507 682244165 /nfs/dbraw/zinc/24/41/65/682244165.db2.gz XUVWTXNBARNWJP-OWCLPIDISA-N 1 3 350.532 2.181 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3sc(C)nc3C)C2)CC[N@H+]1C ZINC000968738507 682244169 /nfs/dbraw/zinc/24/41/69/682244169.db2.gz XUVWTXNBARNWJP-OWCLPIDISA-N 1 3 350.532 2.181 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc(Cl)n1 ZINC000852925070 682357620 /nfs/dbraw/zinc/35/76/20/682357620.db2.gz YLWMJROJGBFABE-CVEARBPZSA-N 1 3 368.909 2.003 20 0 FEADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C(=S)NCC(C)(C)C[NH+](C)C ZINC000853051249 682368233 /nfs/dbraw/zinc/36/82/33/682368233.db2.gz IDUQCGHMAUSLHQ-MRXNPFEDSA-N 1 3 370.607 2.024 20 0 FEADHO CC(C)c1nn(C)c(Cl)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855345689 682659643 /nfs/dbraw/zinc/65/96/43/682659643.db2.gz GICKWUJUSVXFJK-ZDUSSCGKSA-N 1 3 357.930 2.199 20 0 FEADHO CC(C)c1nn(C)c(Cl)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855345689 682659646 /nfs/dbraw/zinc/65/96/46/682659646.db2.gz GICKWUJUSVXFJK-ZDUSSCGKSA-N 1 3 357.930 2.199 20 0 FEADHO [NH3+][C@@H]1CC[C@H](CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000925882314 683046628 /nfs/dbraw/zinc/04/66/28/683046628.db2.gz KOBILVWAUIQLGB-SUHUHFCYSA-N 1 3 373.316 2.385 20 0 FEADHO CCO[C@H](CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)C[NH+](C)C ZINC000926841894 683179437 /nfs/dbraw/zinc/17/94/37/683179437.db2.gz AIECMHDYSUXOJW-IAGOWNOFSA-N 1 3 370.925 2.209 20 0 FEADHO CN1CCC(NC(=S)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000921274157 683412576 /nfs/dbraw/zinc/41/25/76/683412576.db2.gz PDKRXODUEOHKGG-GOSISDBHSA-N 1 3 360.571 2.457 20 0 FEADHO CN1CCC(NC(=S)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000921274157 683412578 /nfs/dbraw/zinc/41/25/78/683412578.db2.gz PDKRXODUEOHKGG-GOSISDBHSA-N 1 3 360.571 2.457 20 0 FEADHO [NH3+]CC[C@@H]1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000923479622 684287655 /nfs/dbraw/zinc/28/76/55/684287655.db2.gz AAEZEWRWIGDJOM-IUODEOHRSA-N 1 3 352.276 2.225 20 0 FEADHO C[C@@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccc(Br)cc1 ZINC000923490095 684290917 /nfs/dbraw/zinc/29/09/17/684290917.db2.gz RNRGLKGLYDMFRQ-OLZOCXBDSA-N 1 3 354.292 2.297 20 0 FEADHO [NH3+]CC[C@@H]1CCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000923493162 684291741 /nfs/dbraw/zinc/29/17/41/684291741.db2.gz RQHQOFJWCMYUAP-DOMZBBRYSA-N 1 3 357.376 2.361 20 0 FEADHO CC1CC[NH+]([C@@H](CN2C(=O)N[C@H](CN(C)C)C2=O)c2cccs2)CC1 ZINC000924440131 684447015 /nfs/dbraw/zinc/44/70/15/684447015.db2.gz QOGWYKGWGPHQFW-CABCVRRESA-N 1 3 364.515 2.003 20 0 FEADHO CC1CCN([C@H](CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)c2cccs2)CC1 ZINC000876710215 686249804 /nfs/dbraw/zinc/24/98/04/686249804.db2.gz HKHDITPTFMXXSZ-GUTXKFCHSA-N 1 3 357.470 2.477 20 0 FEADHO CCN(CC)[C@H](CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000876715082 686251023 /nfs/dbraw/zinc/25/10/23/686251023.db2.gz HFWTYVYSWNUIMA-KBAYOESNSA-N 1 3 351.466 2.142 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCOc3ccc(C[NH3+])cc32)cc(Cl)n1 ZINC000877121074 686328379 /nfs/dbraw/zinc/32/83/79/686328379.db2.gz OVYKQTYIHBAFLW-CQSZACIVSA-N 1 3 360.845 2.318 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC2(CCCCO2)CC1 ZINC000883770230 687721810 /nfs/dbraw/zinc/72/18/10/687721810.db2.gz MYIQSSYXHVHNFM-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC2(CCCCO2)CC1 ZINC000883770230 687721815 /nfs/dbraw/zinc/72/18/15/687721815.db2.gz MYIQSSYXHVHNFM-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000903450448 690894987 /nfs/dbraw/zinc/89/49/87/690894987.db2.gz WEOOZODMOAGMFO-LZLYRXPVSA-N 1 3 351.441 2.355 20 0 FEADHO Cn1cc([C@H]2CSCCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cn1 ZINC000903830202 690975941 /nfs/dbraw/zinc/97/59/41/690975941.db2.gz WBBIQJVJZYCNHM-DLBZAZTESA-N 1 3 350.532 2.059 20 0 FEADHO [NH3+]CC[C@H]1CCN(Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000904405533 691025397 /nfs/dbraw/zinc/02/53/97/691025397.db2.gz NEQMEGXZCTZFSK-AWEZNQCLSA-N 1 3 368.319 2.456 20 0 FEADHO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1ccc([C@H]2CCCCN2CC)cn1 ZINC001164616519 719019075 /nfs/dbraw/zinc/01/90/75/719019075.db2.gz KWSZBPIYGPJVDD-YRXWBPOGSA-N 1 3 372.513 2.358 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)NC3CC[NH+](C)CC3)c(C)c2)CC1 ZINC000043522945 540103435 /nfs/dbraw/zinc/10/34/35/540103435.db2.gz NGQCKYREXNTOQW-UHFFFAOYSA-N 1 3 359.518 2.353 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCCC[NH+](CC)CC)c1 ZINC000048669282 540369343 /nfs/dbraw/zinc/36/93/43/540369343.db2.gz SOTRHLHQEXCKOC-UHFFFAOYSA-N 1 3 362.518 2.315 20 0 FEADHO CC(=O)Nc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1C ZINC000050798128 540414657 /nfs/dbraw/zinc/41/46/57/540414657.db2.gz MRWXZJWIDRMGPJ-UHFFFAOYSA-N 1 3 372.513 2.242 20 0 FEADHO CCC(=O)Nc1cccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050797728 540414892 /nfs/dbraw/zinc/41/48/92/540414892.db2.gz OTZZCQDXVBNAQR-UHFFFAOYSA-N 1 3 372.513 2.324 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@H]2CCC[N@H+](C)C2)N2CCCC2)cc1 ZINC000052498621 540468906 /nfs/dbraw/zinc/46/89/06/540468906.db2.gz NMQSXYFBDGMEFJ-HKUYNNGSSA-N 1 3 360.502 2.226 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@H]2CCC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000052498621 540468909 /nfs/dbraw/zinc/46/89/09/540468909.db2.gz NMQSXYFBDGMEFJ-HKUYNNGSSA-N 1 3 360.502 2.226 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000076306606 542258733 /nfs/dbraw/zinc/25/87/33/542258733.db2.gz FLECEIGLGBPRHH-NRFANRHFSA-N 1 3 373.541 2.344 20 0 FEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000066194160 541289381 /nfs/dbraw/zinc/28/93/81/541289381.db2.gz VWURGZVSAIRPFU-QGZVFWFLSA-N 1 3 361.534 2.118 20 0 FEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000066194160 541289383 /nfs/dbraw/zinc/28/93/83/541289383.db2.gz VWURGZVSAIRPFU-QGZVFWFLSA-N 1 3 361.534 2.118 20 0 FEADHO CO[C@H]1CCC[C@H](C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000551132209 674125973 /nfs/dbraw/zinc/12/59/73/674125973.db2.gz HDQIDECEXJQXJH-ROUUACIJSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@H]1CCC[N@H+](CCNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000072956362 541896567 /nfs/dbraw/zinc/89/65/67/541896567.db2.gz MNZOWAAMRAFWPJ-IBGZPJMESA-N 1 3 358.530 2.047 20 0 FEADHO C[C@H]1CCC[N@@H+](CCNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000072956362 541896569 /nfs/dbraw/zinc/89/65/69/541896569.db2.gz MNZOWAAMRAFWPJ-IBGZPJMESA-N 1 3 358.530 2.047 20 0 FEADHO CCN(CC)[C@@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC000074138134 542042540 /nfs/dbraw/zinc/04/25/40/542042540.db2.gz WDBUBTLCARBDNQ-OAQYLSRUSA-N 1 3 374.573 2.459 20 0 FEADHO CCN(CC)[C@@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000074138134 542042543 /nfs/dbraw/zinc/04/25/43/542042543.db2.gz WDBUBTLCARBDNQ-OAQYLSRUSA-N 1 3 374.573 2.459 20 0 FEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000074158983 542044694 /nfs/dbraw/zinc/04/46/94/542044694.db2.gz JWXIAMYVDXSAQB-HXUWFJFHSA-N 1 3 372.557 2.389 20 0 FEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000074158983 542044698 /nfs/dbraw/zinc/04/46/98/542044698.db2.gz JWXIAMYVDXSAQB-HXUWFJFHSA-N 1 3 372.557 2.389 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]([NH+](CC)CC)C3)cc2)CC1 ZINC000075346569 542171997 /nfs/dbraw/zinc/17/19/97/542171997.db2.gz YKXYKPIBJZFFBR-HXUWFJFHSA-N 1 3 358.530 2.385 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000551704540 674159128 /nfs/dbraw/zinc/15/91/28/674159128.db2.gz XWTSOYVPHDKGBS-LPHOPBHVSA-N 1 3 368.543 2.317 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(F)c(F)c1 ZINC000087237320 542744031 /nfs/dbraw/zinc/74/40/31/542744031.db2.gz NPRNFBDORKXPKF-MRXNPFEDSA-N 1 3 353.457 2.382 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(F)c(F)c1 ZINC000087237320 542744034 /nfs/dbraw/zinc/74/40/34/542744034.db2.gz NPRNFBDORKXPKF-MRXNPFEDSA-N 1 3 353.457 2.382 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2nnc3n2CCC3)CC1 ZINC000088677736 542754631 /nfs/dbraw/zinc/75/46/31/542754631.db2.gz IMEJPIDBVPDEOG-UHFFFAOYSA-N 1 3 368.529 2.089 20 0 FEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000105128612 543160909 /nfs/dbraw/zinc/16/09/09/543160909.db2.gz CBALLNWVRAPADL-SFHVURJKSA-N 1 3 358.530 2.466 20 0 FEADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000105128612 543160912 /nfs/dbraw/zinc/16/09/12/543160912.db2.gz CBALLNWVRAPADL-SFHVURJKSA-N 1 3 358.530 2.466 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000106527243 543233764 /nfs/dbraw/zinc/23/37/64/543233764.db2.gz OFAYFZLIEFRCPW-GOSISDBHSA-N 1 3 374.529 2.443 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000106527243 543233767 /nfs/dbraw/zinc/23/37/67/543233767.db2.gz OFAYFZLIEFRCPW-GOSISDBHSA-N 1 3 374.529 2.443 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Br)cc1 ZINC000617503675 676288312 /nfs/dbraw/zinc/28/83/12/676288312.db2.gz UFIPGHHTMHCINX-ZDUSSCGKSA-N 1 3 356.308 2.451 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Br)cc1 ZINC000617503675 676288314 /nfs/dbraw/zinc/28/83/14/676288314.db2.gz UFIPGHHTMHCINX-ZDUSSCGKSA-N 1 3 356.308 2.451 20 0 FEADHO COc1ccc(OC(F)F)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000119855888 543672538 /nfs/dbraw/zinc/67/25/38/543672538.db2.gz UGMBNEHFVBVRLM-UHFFFAOYSA-N 1 3 374.432 2.254 20 0 FEADHO COCCC(=O)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000127701511 544009121 /nfs/dbraw/zinc/00/91/21/544009121.db2.gz GPOIWNIAUMLYLN-UHFFFAOYSA-N 1 3 351.535 2.401 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000129541075 544117477 /nfs/dbraw/zinc/11/74/77/544117477.db2.gz QKOBDUFVWLJFOF-RBUKOAKNSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000129541075 544117479 /nfs/dbraw/zinc/11/74/79/544117479.db2.gz QKOBDUFVWLJFOF-RBUKOAKNSA-N 1 3 356.514 2.435 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000130132310 544139579 /nfs/dbraw/zinc/13/95/79/544139579.db2.gz UZRBRWUGUUGJCA-XJKCOSOUSA-N 1 3 368.319 2.497 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000130132310 544139581 /nfs/dbraw/zinc/13/95/81/544139581.db2.gz UZRBRWUGUUGJCA-XJKCOSOUSA-N 1 3 368.319 2.497 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000131566937 544195896 /nfs/dbraw/zinc/19/58/96/544195896.db2.gz LUQOGMCERZWOLH-UHFFFAOYSA-N 1 3 368.532 2.224 20 0 FEADHO Cc1ccc(-c2nnco2)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000132380911 544229133 /nfs/dbraw/zinc/22/91/33/544229133.db2.gz SDSWOMFKXCVCOL-UHFFFAOYSA-N 1 3 360.462 2.002 20 0 FEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000136630998 544375291 /nfs/dbraw/zinc/37/52/91/544375291.db2.gz JRRLABRVVWVZLN-IXDOHACOSA-N 1 3 362.518 2.118 20 0 FEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000136630998 544375293 /nfs/dbraw/zinc/37/52/93/544375293.db2.gz JRRLABRVVWVZLN-IXDOHACOSA-N 1 3 362.518 2.118 20 0 FEADHO Cc1noc(C)c1[C@H](C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000151599510 544560965 /nfs/dbraw/zinc/56/09/65/544560965.db2.gz RRRSKLSQWLUDQJ-CQSZACIVSA-N 1 3 362.518 2.460 20 0 FEADHO COc1cc([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1S(C)(=O)=O ZINC000152423215 544651771 /nfs/dbraw/zinc/65/17/71/544651771.db2.gz VBUXDRCVWVBNKB-UONOGXRCSA-N 1 3 352.500 2.234 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@]1(C)CCCS1 ZINC000153412771 544772210 /nfs/dbraw/zinc/77/22/10/544772210.db2.gz USRZTJNQYJTROJ-AEFFLSMTSA-N 1 3 356.580 2.330 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@]1(C)CCCS1 ZINC000153412771 544772212 /nfs/dbraw/zinc/77/22/12/544772212.db2.gz USRZTJNQYJTROJ-AEFFLSMTSA-N 1 3 356.580 2.330 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@]1(C)CCCS1 ZINC000153412886 544772521 /nfs/dbraw/zinc/77/25/21/544772521.db2.gz USRZTJNQYJTROJ-WMZOPIPTSA-N 1 3 356.580 2.330 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@]1(C)CCCS1 ZINC000153412886 544772526 /nfs/dbraw/zinc/77/25/26/544772526.db2.gz USRZTJNQYJTROJ-WMZOPIPTSA-N 1 3 356.580 2.330 20 0 FEADHO CN1CCC([NH+]2CCC(NCc3ccc4c(c3)CCC(=O)N4C)CC2)CC1 ZINC000187175026 328007133 /nfs/dbraw/zinc/00/71/33/328007133.db2.gz ZXCPUFBJZPVGMD-UHFFFAOYSA-N 1 3 370.541 2.244 20 0 FEADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CCS(=O)(=O)CC1 ZINC000187315421 328016009 /nfs/dbraw/zinc/01/60/09/328016009.db2.gz XEIXVFBBQDGWTR-OAHLLOKOSA-N 1 3 351.516 2.101 20 0 FEADHO CN(CC1([NH+](C)C)CCC1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000187354487 328018997 /nfs/dbraw/zinc/01/89/97/328018997.db2.gz CKRWABMEZLJWGQ-UHFFFAOYSA-N 1 3 359.518 2.424 20 0 FEADHO C[NH+](C)C[C@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000187795263 328046786 /nfs/dbraw/zinc/04/67/86/328046786.db2.gz TUYYEGITJYMVKR-LJQANCHMSA-N 1 3 358.530 2.287 20 0 FEADHO CC1CC[NH+]([C@H](CNC(=O)c2[nH]nc3c2CNCC3)c2ccccc2)CC1 ZINC000188735867 328107571 /nfs/dbraw/zinc/10/75/71/328107571.db2.gz ZHSQSMMMKZYSFP-LJQANCHMSA-N 1 3 367.497 2.258 20 0 FEADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1[nH]nc2c1CNCC2 ZINC000188746694 328108356 /nfs/dbraw/zinc/10/83/56/328108356.db2.gz NPJIWIZGQLGIMR-UHFFFAOYSA-N 1 3 367.497 2.361 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(NC(C)=O)ccc1C ZINC000189364252 328143497 /nfs/dbraw/zinc/14/34/97/328143497.db2.gz SDMUVDHDRFUVSF-IBGZPJMESA-N 1 3 374.529 2.442 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(NC(C)=O)ccc1C ZINC000189364252 328143498 /nfs/dbraw/zinc/14/34/98/328143498.db2.gz SDMUVDHDRFUVSF-IBGZPJMESA-N 1 3 374.529 2.442 20 0 FEADHO CCOC1CC(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000190438948 328207820 /nfs/dbraw/zinc/20/78/20/328207820.db2.gz OVHOOYSEQFFQNS-UHFFFAOYSA-N 1 3 366.550 2.049 20 0 FEADHO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000192728431 328335799 /nfs/dbraw/zinc/33/57/99/328335799.db2.gz HSIDROZCFGCULA-IBGZPJMESA-N 1 3 366.594 2.275 20 0 FEADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)CC1 ZINC000192790562 328339829 /nfs/dbraw/zinc/33/98/29/328339829.db2.gz CSYHNYYWTSDBOF-SFHVURJKSA-N 1 3 356.518 2.334 20 0 FEADHO COc1cc(CN2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)cc(OC)c1 ZINC000192946969 328348641 /nfs/dbraw/zinc/34/86/41/328348641.db2.gz PMDKVMNFLSFCGZ-MVCQKVDPSA-N 1 3 359.514 2.493 20 0 FEADHO COc1cc(CN2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)cc(OC)c1 ZINC000192946969 328348643 /nfs/dbraw/zinc/34/86/43/328348643.db2.gz PMDKVMNFLSFCGZ-MVCQKVDPSA-N 1 3 359.514 2.493 20 0 FEADHO Cc1c(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)nnn1C1CC[NH2+]CC1 ZINC000236841223 328495986 /nfs/dbraw/zinc/49/59/86/328495986.db2.gz LCRNPUWRFOUDKJ-GOSISDBHSA-N 1 3 370.501 2.064 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)c(C)c2)CC1 ZINC000236868500 328496809 /nfs/dbraw/zinc/49/68/09/328496809.db2.gz VAEXYHRAKUXVFW-GOSISDBHSA-N 1 3 356.514 2.465 20 0 FEADHO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(CN(C)C)c1)[NH+](C)C ZINC000118099233 326081578 /nfs/dbraw/zinc/08/15/78/326081578.db2.gz XLKUVHPDJNMUTQ-GOSISDBHSA-N 1 3 362.518 2.169 20 0 FEADHO COCC[N@H+](C)CCCC1CCN([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000122195190 326387462 /nfs/dbraw/zinc/38/74/62/326387462.db2.gz CKOUWCTUJBXIPX-GOSISDBHSA-N 1 3 353.551 2.458 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000122195190 326387463 /nfs/dbraw/zinc/38/74/63/326387463.db2.gz CKOUWCTUJBXIPX-GOSISDBHSA-N 1 3 353.551 2.458 20 0 FEADHO COCCN(C)CCCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000122286483 326391102 /nfs/dbraw/zinc/39/11/02/326391102.db2.gz BASFCGBIAXIQKG-UHFFFAOYSA-N 1 3 368.566 2.297 20 0 FEADHO Cc1nc2n(n1)C[C@H](NCc1ccccc1N(C)C1CC[NH+](C)CC1)CC2 ZINC000133682165 326613010 /nfs/dbraw/zinc/61/30/10/326613010.db2.gz UTNBLVFCRSRENO-GOSISDBHSA-N 1 3 368.529 2.222 20 0 FEADHO COc1ccc([C@@H](CNC(=O)[C@H]2CC23CC[NH2+]CC3)N2CCCC2)cc1 ZINC000137165677 326658539 /nfs/dbraw/zinc/65/85/39/326658539.db2.gz ZMJYGKLVRUZFRE-RTBURBONSA-N 1 3 357.498 2.338 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000154314740 326756848 /nfs/dbraw/zinc/75/68/48/326756848.db2.gz MSUYHRJQSBNHEN-SFHVURJKSA-N 1 3 358.530 2.492 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC1 ZINC000155219708 326781621 /nfs/dbraw/zinc/78/16/21/326781621.db2.gz MCSVELFVAZVPBE-UHFFFAOYSA-N 1 3 373.541 2.494 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000155631685 326797417 /nfs/dbraw/zinc/79/74/17/326797417.db2.gz NQOHHKJHKOGUIG-CVEARBPZSA-N 1 3 365.518 2.389 20 0 FEADHO COC1(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]CC1 ZINC000168513917 327087030 /nfs/dbraw/zinc/08/70/30/327087030.db2.gz HRQOUBHPFBRXSV-PKOBYXMFSA-N 1 3 359.514 2.267 20 0 FEADHO C[N@H+](CCNC(=O)CCN1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000172780999 327218635 /nfs/dbraw/zinc/21/86/35/327218635.db2.gz XUKQJFRUSTWQFB-UHFFFAOYSA-N 1 3 358.530 2.189 20 0 FEADHO C[N@@H+](CCNC(=O)CCN1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000172780999 327218637 /nfs/dbraw/zinc/21/86/37/327218637.db2.gz XUKQJFRUSTWQFB-UHFFFAOYSA-N 1 3 358.530 2.189 20 0 FEADHO C[NH+](C)CCCOC1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000175536773 327398372 /nfs/dbraw/zinc/39/83/72/327398372.db2.gz CKFZGJXMTXIBSY-UHFFFAOYSA-N 1 3 368.566 2.393 20 0 FEADHO [NH3+]CCc1nc(C(=O)NCC2CCN(Cc3cccs3)CC2)cs1 ZINC000262381423 328862395 /nfs/dbraw/zinc/86/23/95/328862395.db2.gz NXFNTLMZAIFVFZ-UHFFFAOYSA-N 1 3 364.540 2.348 20 0 FEADHO COCCN1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000265535806 329136808 /nfs/dbraw/zinc/13/68/08/329136808.db2.gz JYNDUVNZAMPSSB-FQEVSTJZSA-N 1 3 374.529 2.192 20 0 FEADHO CC[NH+]1CCC(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000266813566 329262117 /nfs/dbraw/zinc/26/21/17/329262117.db2.gz JCCILEUFTAZXMD-UHFFFAOYSA-N 1 3 358.530 2.108 20 0 FEADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267186655 329300549 /nfs/dbraw/zinc/30/05/49/329300549.db2.gz CPWGXNBRHSJJIZ-UGKGYDQZSA-N 1 3 374.573 2.064 20 0 FEADHO CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)/C=C/C[NH+](C)C ZINC000267487066 329332483 /nfs/dbraw/zinc/33/24/83/329332483.db2.gz DZZKQNTUUJTSOV-OSICKASQSA-N 1 3 359.514 2.008 20 0 FEADHO COCCCOc1cccc(CNCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000268429382 329418754 /nfs/dbraw/zinc/41/87/54/329418754.db2.gz OTLWEZLKNSCGTF-UHFFFAOYSA-N 1 3 350.503 2.427 20 0 FEADHO CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000279091358 330174889 /nfs/dbraw/zinc/17/48/89/330174889.db2.gz WIVSHVODBBBIGB-MSOLQXFVSA-N 1 3 367.497 2.223 20 0 FEADHO CN(C)[C@@H](CNC(=O)CCCN1CCC([NH3+])CC1)c1ccccc1Cl ZINC000433142101 330272954 /nfs/dbraw/zinc/27/29/54/330272954.db2.gz RSVZLDZGTLRVJZ-SFHVURJKSA-N 1 3 366.937 2.262 20 0 FEADHO CN(C)Cc1cccc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000156046489 545595307 /nfs/dbraw/zinc/59/53/07/545595307.db2.gz HZFIWVMCHLZOMB-UHFFFAOYSA-N 1 3 358.530 2.037 20 0 FEADHO CCCN(CCN(CC)CC)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000477479773 561146076 /nfs/dbraw/zinc/14/60/76/561146076.db2.gz WWWRZJCRCUUFBS-UHFFFAOYSA-N 1 3 355.548 2.491 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000157034602 545691295 /nfs/dbraw/zinc/69/12/95/545691295.db2.gz KFXQPHKHOYWTQW-UXHICEINSA-N 1 3 361.530 2.069 20 0 FEADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2cccc(Br)c2)CC[N@@H+]1C ZINC000158198791 545833812 /nfs/dbraw/zinc/83/38/12/545833812.db2.gz FODUILFFYODQMK-SNPRPXQTSA-N 1 3 357.292 2.261 20 0 FEADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2cccc(Br)c2)CC[N@H+]1C ZINC000158198791 545833816 /nfs/dbraw/zinc/83/38/16/545833816.db2.gz FODUILFFYODQMK-SNPRPXQTSA-N 1 3 357.292 2.261 20 0 FEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000171043347 546187999 /nfs/dbraw/zinc/18/79/99/546187999.db2.gz FREAETHOCKVJFM-MRXNPFEDSA-N 1 3 356.580 2.378 20 0 FEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000171043347 546188002 /nfs/dbraw/zinc/18/80/02/546188002.db2.gz FREAETHOCKVJFM-MRXNPFEDSA-N 1 3 356.580 2.378 20 0 FEADHO NC[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(F)cc1 ZINC000479201413 561184418 /nfs/dbraw/zinc/18/44/18/561184418.db2.gz FOKQXAXHDPABKS-SFHVURJKSA-N 1 3 363.477 2.019 20 0 FEADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000479316820 561187300 /nfs/dbraw/zinc/18/73/00/561187300.db2.gz RHCVJDWXYKVYMZ-QAPCUYQASA-N 1 3 350.507 2.327 20 0 FEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000479792171 561197168 /nfs/dbraw/zinc/19/71/68/561197168.db2.gz IGIGUNFRKQADLS-SFHVURJKSA-N 1 3 351.535 2.402 20 0 FEADHO CCN1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000176036856 546393826 /nfs/dbraw/zinc/39/38/26/546393826.db2.gz VWXPKXSYRWAJNS-HXUWFJFHSA-N 1 3 359.514 2.134 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000480655673 561213687 /nfs/dbraw/zinc/21/36/87/561213687.db2.gz XDHYQQJUNIQWKO-NQIIRXRSSA-N 1 3 370.541 2.067 20 0 FEADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000480655673 561213688 /nfs/dbraw/zinc/21/36/88/561213688.db2.gz XDHYQQJUNIQWKO-NQIIRXRSSA-N 1 3 370.541 2.067 20 0 FEADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@]1(N(C)C)CCSC1)CC(C)C ZINC000481017977 561222998 /nfs/dbraw/zinc/22/29/98/561222998.db2.gz DICDZRLLLAFQIY-AEFFLSMTSA-N 1 3 358.596 2.479 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000481023819 561223203 /nfs/dbraw/zinc/22/32/03/561223203.db2.gz XYUFOSVPVVWQSJ-APWZRJJASA-N 1 3 362.518 2.329 20 0 FEADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(I)cc1 ZINC000481027328 561223335 /nfs/dbraw/zinc/22/33/35/561223335.db2.gz RCVSMZDZHKZTLQ-WFASDCNBSA-N 1 3 374.266 2.399 20 0 FEADHO O=C(C[C@@H]1CCC[NH2+]1)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000178848541 546861214 /nfs/dbraw/zinc/86/12/14/546861214.db2.gz UBVDVWHKKFRYNX-IBGZPJMESA-N 1 3 359.514 2.316 20 0 FEADHO C[C@H](O)C[C@@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000179076697 546895991 /nfs/dbraw/zinc/89/59/91/546895991.db2.gz KLRJJYIUPODBEK-PXNSSMCTSA-N 1 3 359.514 2.134 20 0 FEADHO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C[C@@H]2CCN(C3CC3)C2)C1 ZINC000180466052 547111840 /nfs/dbraw/zinc/11/18/40/547111840.db2.gz LCVPWEDXBYNVBD-HNNXBMFYSA-N 1 3 366.502 2.112 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)C(F)(F)F ZINC000483666491 561281484 /nfs/dbraw/zinc/28/14/84/561281484.db2.gz YIRFFVSRBHQUOT-ZIAGYGMSSA-N 1 3 352.445 2.242 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)C(F)(F)F ZINC000483666491 561281485 /nfs/dbraw/zinc/28/14/85/561281485.db2.gz YIRFFVSRBHQUOT-ZIAGYGMSSA-N 1 3 352.445 2.242 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182150463 547444564 /nfs/dbraw/zinc/44/45/64/547444564.db2.gz SEWYIORLSJITIP-QGZVFWFLSA-N 1 3 374.529 2.376 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)N2CCC(OC)CC2)C[C@@H]1C ZINC000483762340 561283492 /nfs/dbraw/zinc/28/34/92/561283492.db2.gz RXVMDOUVCSZIJK-DLBZAZTESA-N 1 3 368.566 2.390 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)N2CCC(OC)CC2)C[C@@H]1C ZINC000483762340 561283493 /nfs/dbraw/zinc/28/34/93/561283493.db2.gz RXVMDOUVCSZIJK-DLBZAZTESA-N 1 3 368.566 2.390 20 0 FEADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000182487467 547502433 /nfs/dbraw/zinc/50/24/33/547502433.db2.gz ORBGPVFRAQOSKM-ROUUACIJSA-N 1 3 354.516 2.072 20 0 FEADHO C[C@@H](NC(=O)c1ccnc(OCCN(C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182822543 547557949 /nfs/dbraw/zinc/55/79/49/547557949.db2.gz JCVYXZHRROQPAM-AEFFLSMTSA-N 1 3 374.529 2.405 20 0 FEADHO C[C@@H](NC(=O)c1ccnc(OCCN(C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182822543 547557951 /nfs/dbraw/zinc/55/79/51/547557951.db2.gz JCVYXZHRROQPAM-AEFFLSMTSA-N 1 3 374.529 2.405 20 0 FEADHO Cc1ccccc1CNC(=O)[C@@H](C)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182901871 547569673 /nfs/dbraw/zinc/56/96/73/547569673.db2.gz QPTRMNCPDQWYOY-CTNGQTDRSA-N 1 3 372.557 2.102 20 0 FEADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000484442581 561297957 /nfs/dbraw/zinc/29/79/57/561297957.db2.gz QDPGNBWLGYAGAS-YZGWKJHDSA-N 1 3 358.530 2.428 20 0 FEADHO COCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@@H]1CC=CCC1 ZINC000485102330 561312575 /nfs/dbraw/zinc/31/25/75/561312575.db2.gz DHNDVMDMFIRRFQ-GOSISDBHSA-N 1 3 351.535 2.280 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000185341089 547972927 /nfs/dbraw/zinc/97/29/27/547972927.db2.gz CWDROFODTYNTJS-LJQANCHMSA-N 1 3 358.530 2.287 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000185341089 547972931 /nfs/dbraw/zinc/97/29/31/547972931.db2.gz CWDROFODTYNTJS-LJQANCHMSA-N 1 3 358.530 2.287 20 0 FEADHO CC(C)[NH+](CCCNC(=O)NC(C)(C)CCN1CCN(C)CC1)C(C)C ZINC000185495258 547992960 /nfs/dbraw/zinc/99/29/60/547992960.db2.gz QUEPRVOYYBRLBR-UHFFFAOYSA-N 1 3 369.598 2.211 20 0 FEADHO CN(C)C1(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)Cc2ccccc2C1 ZINC000486086846 561337732 /nfs/dbraw/zinc/33/77/32/561337732.db2.gz DIKMJQLCVPVFLI-PMACEKPBSA-N 1 3 370.541 2.211 20 0 FEADHO CN(C)C1(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)Cc2ccccc2C1 ZINC000486086846 561337733 /nfs/dbraw/zinc/33/77/33/561337733.db2.gz DIKMJQLCVPVFLI-PMACEKPBSA-N 1 3 370.541 2.211 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000194236472 548453940 /nfs/dbraw/zinc/45/39/40/548453940.db2.gz VLSZFPONYJSIDG-NEWSRXKRSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000194236472 548453941 /nfs/dbraw/zinc/45/39/41/548453941.db2.gz VLSZFPONYJSIDG-NEWSRXKRSA-N 1 3 356.514 2.433 20 0 FEADHO CC[C@@H]1CN(CCNCc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000487212547 561366164 /nfs/dbraw/zinc/36/61/64/561366164.db2.gz URICNAIBQIOZCJ-OAQYLSRUSA-N 1 3 374.573 2.417 20 0 FEADHO CC[C@@H]1CN(CC[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CCO1 ZINC000487212547 561366165 /nfs/dbraw/zinc/36/61/65/561366165.db2.gz URICNAIBQIOZCJ-OAQYLSRUSA-N 1 3 374.573 2.417 20 0 FEADHO CN1CCN(CCCNC(=O)CCC2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000237202307 548808017 /nfs/dbraw/zinc/80/80/17/548808017.db2.gz MWJTVOROWFRURK-OAQYLSRUSA-N 1 3 372.557 2.261 20 0 FEADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CNC[C@@H]3CCCO3)cc2)C1 ZINC000237475448 548828666 /nfs/dbraw/zinc/82/86/66/548828666.db2.gz BYTREPKOXGHXNQ-XLIONFOSSA-N 1 3 359.514 2.303 20 0 FEADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CNC[C@@H]3CCCO3)cc2)C1 ZINC000237475448 548828668 /nfs/dbraw/zinc/82/86/68/548828668.db2.gz BYTREPKOXGHXNQ-XLIONFOSSA-N 1 3 359.514 2.303 20 0 FEADHO C[C@H](CC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)C1CC[NH2+]CC1 ZINC000237603253 548837099 /nfs/dbraw/zinc/83/70/99/548837099.db2.gz HQGKSAHVHPQLJS-KURKYZTESA-N 1 3 365.562 2.360 20 0 FEADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CNC[C@@H]3CCCO3)cc2)C1 ZINC000237673751 548843410 /nfs/dbraw/zinc/84/34/10/548843410.db2.gz BYTREPKOXGHXNQ-PXNSSMCTSA-N 1 3 359.514 2.303 20 0 FEADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CNC[C@@H]3CCCO3)cc2)C1 ZINC000237673751 548843414 /nfs/dbraw/zinc/84/34/14/548843414.db2.gz BYTREPKOXGHXNQ-PXNSSMCTSA-N 1 3 359.514 2.303 20 0 FEADHO C[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487832282 561376893 /nfs/dbraw/zinc/37/68/93/561376893.db2.gz DTTRGSBMVGMOFQ-QXAKKESOSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487832282 561376894 /nfs/dbraw/zinc/37/68/94/561376894.db2.gz DTTRGSBMVGMOFQ-QXAKKESOSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487832283 561376899 /nfs/dbraw/zinc/37/68/99/561376899.db2.gz DTTRGSBMVGMOFQ-UHOSZYNNSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487832283 561376900 /nfs/dbraw/zinc/37/69/00/561376900.db2.gz DTTRGSBMVGMOFQ-UHOSZYNNSA-N 1 3 356.514 2.433 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN([C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000245466713 548928468 /nfs/dbraw/zinc/92/84/68/548928468.db2.gz ZCYAIJYFPJKTAC-HLAWJBBLSA-N 1 3 372.557 2.182 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000245651084 548966021 /nfs/dbraw/zinc/96/60/21/548966021.db2.gz MYWNZHQEFDXVAS-WOJBJXKFSA-N 1 3 374.529 2.232 20 0 FEADHO CN(c1ccccc1CN1CCC[C@@H](OCCO)C1)C1CC[NH+](C)CC1 ZINC000245729823 548983653 /nfs/dbraw/zinc/98/36/53/548983653.db2.gz JNMRSLLIUIJPEE-HXUWFJFHSA-N 1 3 361.530 2.190 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)C1 ZINC000245904334 549016238 /nfs/dbraw/zinc/01/62/38/549016238.db2.gz FCYVYUGVOBWQGS-GUDVDZBRSA-N 1 3 350.551 2.480 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)C1 ZINC000245904334 549016240 /nfs/dbraw/zinc/01/62/40/549016240.db2.gz FCYVYUGVOBWQGS-GUDVDZBRSA-N 1 3 350.551 2.480 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000246052494 549041993 /nfs/dbraw/zinc/04/19/93/549041993.db2.gz YHZQXLIECPTOSJ-AZUAARDMSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000246052494 549041995 /nfs/dbraw/zinc/04/19/95/549041995.db2.gz YHZQXLIECPTOSJ-AZUAARDMSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000246052503 549042524 /nfs/dbraw/zinc/04/25/24/549042524.db2.gz YHZQXLIECPTOSJ-ICSRJNTNSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000246052503 549042528 /nfs/dbraw/zinc/04/25/28/549042528.db2.gz YHZQXLIECPTOSJ-ICSRJNTNSA-N 1 3 374.529 2.253 20 0 FEADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000247317863 549316353 /nfs/dbraw/zinc/31/63/53/549316353.db2.gz RXXIZZAELSPQJY-PZJWPPBQSA-N 1 3 370.541 2.141 20 0 FEADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000247317863 549316356 /nfs/dbraw/zinc/31/63/56/549316356.db2.gz RXXIZZAELSPQJY-PZJWPPBQSA-N 1 3 370.541 2.141 20 0 FEADHO C[C@@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)N1[C@H](C)CC[C@H]1C ZINC000247361532 549325041 /nfs/dbraw/zinc/32/50/41/549325041.db2.gz MLMDSMKAZLEDLS-IVDHNXQLSA-N 1 3 364.578 2.265 20 0 FEADHO C[C@@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)N1[C@H](C)CC[C@H]1C ZINC000247361532 549325042 /nfs/dbraw/zinc/32/50/42/549325042.db2.gz MLMDSMKAZLEDLS-IVDHNXQLSA-N 1 3 364.578 2.265 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000248781296 549501212 /nfs/dbraw/zinc/50/12/12/549501212.db2.gz VLSZFPONYJSIDG-BHIYHBOVSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000248781296 549501218 /nfs/dbraw/zinc/50/12/18/549501218.db2.gz VLSZFPONYJSIDG-BHIYHBOVSA-N 1 3 356.514 2.433 20 0 FEADHO CCc1cc(OC)ccc1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261642484 549738001 /nfs/dbraw/zinc/73/80/01/549738001.db2.gz AKTYSOJCUSWCAN-UZLBHIALSA-N 1 3 359.514 2.338 20 0 FEADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@H](N)C3CCOCC3)c2)CC1 ZINC000261667078 549740363 /nfs/dbraw/zinc/74/03/63/549740363.db2.gz FZVXJQBTDYDNNO-HXUWFJFHSA-N 1 3 359.514 2.289 20 0 FEADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)C3CCOCC3)cc2)C1 ZINC000261714037 549746581 /nfs/dbraw/zinc/74/65/81/549746581.db2.gz IXLVLPJEOPYKNO-UZLBHIALSA-N 1 3 359.514 2.289 20 0 FEADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)C3CCOCC3)cc2)C1 ZINC000261714037 549746585 /nfs/dbraw/zinc/74/65/85/549746585.db2.gz IXLVLPJEOPYKNO-UZLBHIALSA-N 1 3 359.514 2.289 20 0 FEADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)CC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000261747321 549750500 /nfs/dbraw/zinc/75/05/00/549750500.db2.gz GZVBLRATTJRMHG-HNNXBMFYSA-N 1 3 373.501 2.231 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)C(CC)(CC)C[NH3+])CC1 ZINC000261872494 549763908 /nfs/dbraw/zinc/76/39/08/549763908.db2.gz SLOZEQXAXWNVBV-UHFFFAOYSA-N 1 3 360.546 2.205 20 0 FEADHO C[C@H]1C[C@@H](C(=O)Nc2ccc(NC(=O)NC3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000262342879 549812635 /nfs/dbraw/zinc/81/26/35/549812635.db2.gz HIAORCXPSYKFMP-GJZGRUSLSA-N 1 3 373.501 2.229 20 0 FEADHO C[C@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)N(C)Cc1ccccc1 ZINC000262769595 549847798 /nfs/dbraw/zinc/84/77/98/549847798.db2.gz MFDJYPZYIYPGJY-AEFFLSMTSA-N 1 3 355.486 2.058 20 0 FEADHO CC(C)c1ccc([C@H](N)CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000262799042 549851188 /nfs/dbraw/zinc/85/11/88/549851188.db2.gz NTKHNUJPKYEKEB-QZTJIDSGSA-N 1 3 355.486 2.361 20 0 FEADHO CN(C)CCOc1ccc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000262830689 549854033 /nfs/dbraw/zinc/85/40/33/549854033.db2.gz SAXGBADVEQXHTA-MRXNPFEDSA-N 1 3 357.458 2.000 20 0 FEADHO CN(CCCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)Cc1ccccc1 ZINC000262888447 549859406 /nfs/dbraw/zinc/85/94/06/549859406.db2.gz ZWBKHEUUVSFSFN-SFHVURJKSA-N 1 3 355.486 2.060 20 0 FEADHO C[C@@H](CC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000263238602 549888681 /nfs/dbraw/zinc/88/86/81/549888681.db2.gz FMUAXBGKIYPQDU-JRBPQWBISA-N 1 3 365.562 2.360 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)CC[NH+](C)C ZINC000263694477 549920857 /nfs/dbraw/zinc/92/08/57/549920857.db2.gz HFODHIGGAWZMCG-IEBWSBKVSA-N 1 3 361.534 2.418 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC[NH+](CC)CC ZINC000263714334 549924627 /nfs/dbraw/zinc/92/46/27/549924627.db2.gz OZTVBUSAXMOWDA-IBGZPJMESA-N 1 3 361.534 2.419 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2Cn2ccnn2)CC1 ZINC000491090006 561442863 /nfs/dbraw/zinc/44/28/63/561442863.db2.gz DNDGWAYTAQANIF-IBGZPJMESA-N 1 3 354.502 2.085 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]2Cn2ccnn2)CC1 ZINC000491090006 561442864 /nfs/dbraw/zinc/44/28/64/561442864.db2.gz DNDGWAYTAQANIF-IBGZPJMESA-N 1 3 354.502 2.085 20 0 FEADHO CN(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268558647 550087137 /nfs/dbraw/zinc/08/71/37/550087137.db2.gz XZPPBMFOVSKAPD-AZUAARDMSA-N 1 3 356.514 2.387 20 0 FEADHO CN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268558647 550087139 /nfs/dbraw/zinc/08/71/39/550087139.db2.gz XZPPBMFOVSKAPD-AZUAARDMSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C[C@@H]3CNCCO3)cc2)C1 ZINC000269236170 550170596 /nfs/dbraw/zinc/17/05/96/550170596.db2.gz NCMJGEHHZCDRCE-FUHIMQAGSA-N 1 3 359.514 2.159 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C[C@@H]3CNCCO3)cc2)C1 ZINC000269236170 550170599 /nfs/dbraw/zinc/17/05/99/550170599.db2.gz NCMJGEHHZCDRCE-FUHIMQAGSA-N 1 3 359.514 2.159 20 0 FEADHO CC1CC[NH+](CCN2CCN(c3ccccc3OCCN(C)C)CC2)CC1 ZINC000493814556 561458384 /nfs/dbraw/zinc/45/83/84/561458384.db2.gz HDESHLIYHAOQOQ-UHFFFAOYSA-N 1 3 374.573 2.481 20 0 FEADHO CN(CCOCCN(C)CCc1nccs1)CCc1nccs1 ZINC000269905983 550235457 /nfs/dbraw/zinc/23/54/57/550235457.db2.gz ZNOAMOOVCJYWHF-UHFFFAOYSA-N 1 3 354.545 2.265 20 0 FEADHO CN(CCOCC[N@H+](C)CCc1nccs1)CCc1nccs1 ZINC000269905983 550235458 /nfs/dbraw/zinc/23/54/58/550235458.db2.gz ZNOAMOOVCJYWHF-UHFFFAOYSA-N 1 3 354.545 2.265 20 0 FEADHO CN(CCOCC[N@@H+](C)CCc1nccs1)CCc1nccs1 ZINC000269905983 550235461 /nfs/dbraw/zinc/23/54/61/550235461.db2.gz ZNOAMOOVCJYWHF-UHFFFAOYSA-N 1 3 354.545 2.265 20 0 FEADHO CN1CCN(C)[C@H](CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000272725506 550467202 /nfs/dbraw/zinc/46/72/02/550467202.db2.gz YOAXYURJBKSXSI-GXRSIYKFSA-N 1 3 356.558 2.123 20 0 FEADHO CN1CCN(C)[C@H](CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000272725506 550467203 /nfs/dbraw/zinc/46/72/03/550467203.db2.gz YOAXYURJBKSXSI-GXRSIYKFSA-N 1 3 356.558 2.123 20 0 FEADHO CN1CCN(C)[C@H](C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000272725506 550467204 /nfs/dbraw/zinc/46/72/04/550467204.db2.gz YOAXYURJBKSXSI-GXRSIYKFSA-N 1 3 356.558 2.123 20 0 FEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000494442646 561469794 /nfs/dbraw/zinc/46/97/94/561469794.db2.gz LBAUHEQJCBAPKD-FQEVSTJZSA-N 1 3 373.541 2.353 20 0 FEADHO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000494442646 561469795 /nfs/dbraw/zinc/46/97/95/561469795.db2.gz LBAUHEQJCBAPKD-FQEVSTJZSA-N 1 3 373.541 2.353 20 0 FEADHO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272875957 550474866 /nfs/dbraw/zinc/47/48/66/550474866.db2.gz XAIBMKDJGIFLAN-YSIASYRMSA-N 1 3 360.498 2.409 20 0 FEADHO C[C@H](NC[C@@H]1COC2(CCOCC2)O1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272875957 550474867 /nfs/dbraw/zinc/47/48/67/550474867.db2.gz XAIBMKDJGIFLAN-YSIASYRMSA-N 1 3 360.498 2.409 20 0 FEADHO C[C@H](NC[C@@H]1COC2(CCOCC2)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272875957 550474869 /nfs/dbraw/zinc/47/48/69/550474869.db2.gz XAIBMKDJGIFLAN-YSIASYRMSA-N 1 3 360.498 2.409 20 0 FEADHO CCO[C@@H](CCN(C)C)C[NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000273565320 550503460 /nfs/dbraw/zinc/50/34/60/550503460.db2.gz JHGATYJTALXDPQ-IRXDYDNUSA-N 1 3 356.532 2.104 20 0 FEADHO CCN(CCO)CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000274436086 550537586 /nfs/dbraw/zinc/53/75/86/550537586.db2.gz RMAXFVPXQUTKOU-UHFFFAOYSA-N 1 3 362.518 2.151 20 0 FEADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000274441045 550538096 /nfs/dbraw/zinc/53/80/96/550538096.db2.gz DQFYJFXHEJHLGK-IBGZPJMESA-N 1 3 372.557 2.041 20 0 FEADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000274463696 550538987 /nfs/dbraw/zinc/53/89/87/550538987.db2.gz KHNGKKKTHSDUES-SFHVURJKSA-N 1 3 360.546 2.284 20 0 FEADHO C[NH+](C)[C@H](CNC(=O)CN1CCCC2(CCOCC2)C1)c1ccccc1 ZINC000274680308 550549187 /nfs/dbraw/zinc/54/91/87/550549187.db2.gz WREVJZYINLXKQN-LJQANCHMSA-N 1 3 359.514 2.298 20 0 FEADHO C[C@@H](CC[NH+](C)C)NC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000277603137 550690528 /nfs/dbraw/zinc/69/05/28/550690528.db2.gz HCBBEYPQCNXPNW-INIZCTEOSA-N 1 3 357.502 2.182 20 0 FEADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000280312818 550979480 /nfs/dbraw/zinc/97/94/80/550979480.db2.gz OUJFPNGNWFKQDV-UHFFFAOYSA-N 1 3 363.893 2.246 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(Cl)cc1-n1cncn1 ZINC000280421374 550992140 /nfs/dbraw/zinc/99/21/40/550992140.db2.gz WWAQSCYJNKGRSK-INIZCTEOSA-N 1 3 351.882 2.367 20 0 FEADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280733431 551026331 /nfs/dbraw/zinc/02/63/31/551026331.db2.gz HDSYFCGYOFFRDH-NQIIRXRSSA-N 1 3 357.498 2.219 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000281012935 551055064 /nfs/dbraw/zinc/05/50/64/551055064.db2.gz OSIODDMWPVQJPD-UHFFFAOYSA-N 1 3 362.518 2.254 20 0 FEADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C(C)(C)n1cncn1 ZINC000281142779 551067923 /nfs/dbraw/zinc/06/79/23/551067923.db2.gz ZHXFYPWTFNDMDK-MRXNPFEDSA-N 1 3 357.502 2.148 20 0 FEADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000282304072 551209284 /nfs/dbraw/zinc/20/92/84/551209284.db2.gz MPBNBVBBJOBJSG-KRWDZBQOSA-N 1 3 358.530 2.490 20 0 FEADHO COCCN1CC[C@H](NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000497852706 561509904 /nfs/dbraw/zinc/50/99/04/561509904.db2.gz KPXTYSGTVYMRRP-ZIFCJYIRSA-N 1 3 362.518 2.006 20 0 FEADHO NC1(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCOCC1 ZINC000498176137 561517620 /nfs/dbraw/zinc/51/76/20/561517620.db2.gz KRLINDPSVFLPSS-UHFFFAOYSA-N 1 3 357.498 2.009 20 0 FEADHO NC1(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCOCC1 ZINC000498176137 561517621 /nfs/dbraw/zinc/51/76/21/561517621.db2.gz KRLINDPSVFLPSS-UHFFFAOYSA-N 1 3 357.498 2.009 20 0 FEADHO COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000285541728 551772171 /nfs/dbraw/zinc/77/21/71/551772171.db2.gz CEXAEBWZUXTMNI-PZJWPPBQSA-N 1 3 355.482 2.420 20 0 FEADHO CN(CCCN(C)C(=O)NC[C@]1([NH+](C)C)CCSC1)Cc1ccco1 ZINC000286527531 551896354 /nfs/dbraw/zinc/89/63/54/551896354.db2.gz BRFXUSFPODFCEZ-GOSISDBHSA-N 1 3 368.547 2.180 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000286954053 551944521 /nfs/dbraw/zinc/94/45/21/551944521.db2.gz CYBUHSGYKUZQRX-IBGZPJMESA-N 1 3 362.518 2.470 20 0 FEADHO C[NH+](C)CCOCCNCC1=Cc2cc(Br)ccc2OC1 ZINC000499222991 561546133 /nfs/dbraw/zinc/54/61/33/561546133.db2.gz ONKPAKYXFXVJSY-UHFFFAOYSA-N 1 3 355.276 2.393 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn(C)nc1-c1ccncc1 ZINC000289477389 552327841 /nfs/dbraw/zinc/32/78/41/552327841.db2.gz QCBSHVSKEKYNHO-HXUWFJFHSA-N 1 3 370.545 2.330 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn(C)nc1-c1ccncc1 ZINC000289477389 552327844 /nfs/dbraw/zinc/32/78/44/552327844.db2.gz QCBSHVSKEKYNHO-HXUWFJFHSA-N 1 3 370.545 2.330 20 0 FEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000501004367 561587496 /nfs/dbraw/zinc/58/74/96/561587496.db2.gz PKDJXGKUYAEROW-IBGZPJMESA-N 1 3 359.518 2.472 20 0 FEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000501004367 561587497 /nfs/dbraw/zinc/58/74/97/561587497.db2.gz PKDJXGKUYAEROW-IBGZPJMESA-N 1 3 359.518 2.472 20 0 FEADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)CC1(CS(C)(=O)=O)CC1 ZINC000501070100 561589068 /nfs/dbraw/zinc/58/90/68/561589068.db2.gz RIEQWVGXNFRJCW-UHFFFAOYSA-N 1 3 351.516 2.055 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C(=O)OC)c(C)n2C)[C@@H](C)C1 ZINC000291304169 552612498 /nfs/dbraw/zinc/61/24/98/552612498.db2.gz XAVVGHLKAWLBKT-KXBFYZLASA-N 1 3 365.518 2.347 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000293322030 552811032 /nfs/dbraw/zinc/81/10/32/552811032.db2.gz IQWLPGQBVCDVJL-SFHVURJKSA-N 1 3 360.546 2.457 20 0 FEADHO CC(C)N1CCN(C2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000293754185 552853253 /nfs/dbraw/zinc/85/32/53/552853253.db2.gz JERJLJIWHOZUOI-NRFANRHFSA-N 1 3 363.521 2.220 20 0 FEADHO C[C@@H](CNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1)C[NH+](C)C ZINC000294415421 552904628 /nfs/dbraw/zinc/90/46/28/552904628.db2.gz XSIQHGOILWKMMU-INIZCTEOSA-N 1 3 357.502 2.039 20 0 FEADHO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000295341201 552990309 /nfs/dbraw/zinc/99/03/09/552990309.db2.gz XYEYCPVVXHETHR-VQIMIIECSA-N 1 3 359.514 2.313 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CCCN(C)CC2)N(C)C)cc1 ZINC000297167642 553258337 /nfs/dbraw/zinc/25/83/37/553258337.db2.gz ANHXISDUIXZXRR-KRWDZBQOSA-N 1 3 350.532 2.358 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CCC[N@H+](C)CC2)N(C)C)cc1 ZINC000297167642 553258339 /nfs/dbraw/zinc/25/83/39/553258339.db2.gz ANHXISDUIXZXRR-KRWDZBQOSA-N 1 3 350.532 2.358 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CCC[N@@H+](C)CC2)N(C)C)cc1 ZINC000297167642 553258340 /nfs/dbraw/zinc/25/83/40/553258340.db2.gz ANHXISDUIXZXRR-KRWDZBQOSA-N 1 3 350.532 2.358 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CCCN(C)CC2)[NH+](C)C)cc1 ZINC000297167642 553258342 /nfs/dbraw/zinc/25/83/42/553258342.db2.gz ANHXISDUIXZXRR-KRWDZBQOSA-N 1 3 350.532 2.358 20 0 FEADHO C[C@H]1CN(c2ccccc2CN(C)CCN(C)C2CC[NH+](C)CC2)CCO1 ZINC000297561906 553309098 /nfs/dbraw/zinc/30/90/98/553309098.db2.gz BDLRWGOUTKWSEM-IBGZPJMESA-N 1 3 374.573 2.370 20 0 FEADHO CCNC(=O)COc1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298359967 553416531 /nfs/dbraw/zinc/41/65/31/553416531.db2.gz KDFPPIMGIRNYMJ-UHFFFAOYSA-N 1 3 368.481 2.355 20 0 FEADHO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000298381299 553418632 /nfs/dbraw/zinc/41/86/32/553418632.db2.gz CTPWZCHACJQVBH-LJQANCHMSA-N 1 3 363.502 2.189 20 0 FEADHO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000298381299 553418633 /nfs/dbraw/zinc/41/86/33/553418633.db2.gz CTPWZCHACJQVBH-LJQANCHMSA-N 1 3 363.502 2.189 20 0 FEADHO O=C(NCCC[NH2+]C1CCN(c2ccncc2)CC1)c1cccc(O)c1 ZINC000298551379 553439483 /nfs/dbraw/zinc/43/94/83/553439483.db2.gz UVARWFONCBBYSH-UHFFFAOYSA-N 1 3 354.454 2.166 20 0 FEADHO CC(C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)S(C)(=O)=O ZINC000298586323 553445012 /nfs/dbraw/zinc/44/50/12/553445012.db2.gz HGHWKFLBEBSWSS-XHSDSOJGSA-N 1 3 366.527 2.214 20 0 FEADHO CC(C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)S(C)(=O)=O ZINC000298586323 553445014 /nfs/dbraw/zinc/44/50/14/553445014.db2.gz HGHWKFLBEBSWSS-XHSDSOJGSA-N 1 3 366.527 2.214 20 0 FEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000503828297 561648770 /nfs/dbraw/zinc/64/87/70/561648770.db2.gz JQQXJAZPQSDNRY-NJYVYQBISA-N 1 3 373.541 2.250 20 0 FEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000503828297 561648771 /nfs/dbraw/zinc/64/87/71/561648771.db2.gz JQQXJAZPQSDNRY-NJYVYQBISA-N 1 3 373.541 2.250 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(OC)c(OC)c1 ZINC000299713670 553605803 /nfs/dbraw/zinc/60/58/03/553605803.db2.gz JKVOVFLIYOIEDW-QGZVFWFLSA-N 1 3 363.502 2.192 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(OC)c(OC)c1 ZINC000299713670 553605805 /nfs/dbraw/zinc/60/58/05/553605805.db2.gz JKVOVFLIYOIEDW-QGZVFWFLSA-N 1 3 363.502 2.192 20 0 FEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507270574 561723124 /nfs/dbraw/zinc/72/31/24/561723124.db2.gz RLNQNGBTOXZLRZ-HXUWFJFHSA-N 1 3 373.541 2.373 20 0 FEADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507270574 561723126 /nfs/dbraw/zinc/72/31/26/561723126.db2.gz RLNQNGBTOXZLRZ-HXUWFJFHSA-N 1 3 373.541 2.373 20 0 FEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)N(C)C ZINC000507284177 561723618 /nfs/dbraw/zinc/72/36/18/561723618.db2.gz PHXFSNGOXFCBFA-UXHICEINSA-N 1 3 373.541 2.372 20 0 FEADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)N(C)C ZINC000507284177 561723620 /nfs/dbraw/zinc/72/36/20/561723620.db2.gz PHXFSNGOXFCBFA-UXHICEINSA-N 1 3 373.541 2.372 20 0 FEADHO C[C@@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)N1CCC[C@H](C)C1 ZINC000330985870 554197406 /nfs/dbraw/zinc/19/74/06/554197406.db2.gz GAXRLPUDVAOPTH-HOTGVXAUSA-N 1 3 353.532 2.147 20 0 FEADHO C[C@H]1CN(CCC2CCN(C(=O)NC3CCC([NH3+])CC3)CC2)C[C@H](C)O1 ZINC000331486574 554272767 /nfs/dbraw/zinc/27/27/67/554272767.db2.gz JCOANWMUMOTNHX-XYCLOBBJSA-N 1 3 366.550 2.177 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)c2)CC1 ZINC000333321979 554602428 /nfs/dbraw/zinc/60/24/28/554602428.db2.gz NCJZRORVXKPEDF-KFKAGJAMSA-N 1 3 357.502 2.030 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000333400886 554609718 /nfs/dbraw/zinc/60/97/18/554609718.db2.gz PYAGJHJBLDORJT-HTDHLNIYSA-N 1 3 356.514 2.276 20 0 FEADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000333412797 554610659 /nfs/dbraw/zinc/61/06/59/554610659.db2.gz RMAWVAQHORJQEF-CVEARBPZSA-N 1 3 354.564 2.117 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000333851604 554649353 /nfs/dbraw/zinc/64/93/53/554649353.db2.gz QCDKYQGXAVZCFP-LMMKCTJWSA-N 1 3 366.550 2.049 20 0 FEADHO Cn1cc([C@H](N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c2cccc(F)c2)cn1 ZINC000361067116 554902836 /nfs/dbraw/zinc/90/28/36/554902836.db2.gz MOSMSRPPKFAJFS-TZIWHRDSSA-N 1 3 371.504 2.407 20 0 FEADHO Cn1cc([C@H](N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c2cccc(F)c2)cn1 ZINC000361067116 554902840 /nfs/dbraw/zinc/90/28/40/554902840.db2.gz MOSMSRPPKFAJFS-TZIWHRDSSA-N 1 3 371.504 2.407 20 0 FEADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000362199417 554955754 /nfs/dbraw/zinc/95/57/54/554955754.db2.gz HZVZBOAVBRSDFZ-FPOVZHCZSA-N 1 3 371.525 2.268 20 0 FEADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000362199417 554955755 /nfs/dbraw/zinc/95/57/55/554955755.db2.gz HZVZBOAVBRSDFZ-FPOVZHCZSA-N 1 3 371.525 2.268 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000362973409 555004243 /nfs/dbraw/zinc/00/42/43/555004243.db2.gz IEAMUZNPFWTGGW-RTBURBONSA-N 1 3 366.550 2.003 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000362973409 555004244 /nfs/dbraw/zinc/00/42/44/555004244.db2.gz IEAMUZNPFWTGGW-RTBURBONSA-N 1 3 366.550 2.003 20 0 FEADHO CN(CCNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)Cc1ccccc1 ZINC000363248876 555062825 /nfs/dbraw/zinc/06/28/25/555062825.db2.gz OEXPYUPUYUFGIA-UHFFFAOYSA-N 1 3 374.529 2.015 20 0 FEADHO CN(CCNC(=O)N1CCC[N@H+](C2CCOCC2)CC1)Cc1ccccc1 ZINC000363248876 555062829 /nfs/dbraw/zinc/06/28/29/555062829.db2.gz OEXPYUPUYUFGIA-UHFFFAOYSA-N 1 3 374.529 2.015 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000363247988 555062847 /nfs/dbraw/zinc/06/28/47/555062847.db2.gz YVSFDLUTWHWNAU-GOSISDBHSA-N 1 3 360.502 2.007 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC000363247988 555062850 /nfs/dbraw/zinc/06/28/50/555062850.db2.gz YVSFDLUTWHWNAU-GOSISDBHSA-N 1 3 360.502 2.007 20 0 FEADHO CC1CC[NH+](CCCNC(=O)N2CCCN(C3CCOCC3)CC2)CC1 ZINC000363555749 555135992 /nfs/dbraw/zinc/13/59/92/555135992.db2.gz SZLRZSFSYCDCDI-UHFFFAOYSA-N 1 3 366.550 2.005 20 0 FEADHO C[C@@H]1C[C@H]1N1C[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)CC1=O ZINC000363914301 555212790 /nfs/dbraw/zinc/21/27/90/555212790.db2.gz QWTGRNUHHHJILA-HGHGUNKESA-N 1 3 370.541 2.316 20 0 FEADHO CCOC(=O)CCCN1CCC2(CC[N@H+](CCCC(=O)OCC)C2)CC1 ZINC000364079898 555246066 /nfs/dbraw/zinc/24/60/66/555246066.db2.gz BQNXWKLFVAYODL-UHFFFAOYSA-N 1 3 368.518 2.461 20 0 FEADHO CCOC(=O)CCCN1CCC2(CC[N@@H+](CCCC(=O)OCC)C2)CC1 ZINC000364079898 555246067 /nfs/dbraw/zinc/24/60/67/555246067.db2.gz BQNXWKLFVAYODL-UHFFFAOYSA-N 1 3 368.518 2.461 20 0 FEADHO CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 ZINC000364695584 555377038 /nfs/dbraw/zinc/37/70/38/555377038.db2.gz KKGAWDWUNKGYOC-PMACEKPBSA-N 1 3 373.545 2.496 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000365127226 555491322 /nfs/dbraw/zinc/49/13/22/555491322.db2.gz VBSMZRLFYOFEDQ-KRWDZBQOSA-N 1 3 366.550 2.146 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCSC1 ZINC000513168308 561927800 /nfs/dbraw/zinc/92/78/00/561927800.db2.gz YURATBYBMRXSLK-SJORKVTESA-N 1 3 356.580 2.187 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCSC1 ZINC000513168308 561927801 /nfs/dbraw/zinc/92/78/01/561927801.db2.gz YURATBYBMRXSLK-SJORKVTESA-N 1 3 356.580 2.187 20 0 FEADHO C[NH+](C)CC[C@@H](NC(=O)N1CCCN(C2CCOCC2)CC1)C(C)(C)C ZINC000365484581 555587557 /nfs/dbraw/zinc/58/75/57/555587557.db2.gz MSQGNJRQKPYULB-GOSISDBHSA-N 1 3 368.566 2.249 20 0 FEADHO CCN1CCN(CCC(=O)N2CCc3c2cccc3C[NH+]2CCCC2)CC1 ZINC000365827118 555676454 /nfs/dbraw/zinc/67/64/54/555676454.db2.gz YCFQQFAWDPFLDE-UHFFFAOYSA-N 1 3 370.541 2.199 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCCCCCC[NH+](C)C ZINC000365873641 555689817 /nfs/dbraw/zinc/68/98/17/555689817.db2.gz ZHBOKCQTOTVMMR-SFHVURJKSA-N 1 3 368.566 2.393 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C[C@@H](C)O1 ZINC000366190665 555776472 /nfs/dbraw/zinc/77/64/72/555776472.db2.gz SKMKIMNIMFGDSA-FAJBIJEISA-N 1 3 351.535 2.065 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C[C@@H](C)O1 ZINC000366190665 555776477 /nfs/dbraw/zinc/77/64/77/555776477.db2.gz SKMKIMNIMFGDSA-FAJBIJEISA-N 1 3 351.535 2.065 20 0 FEADHO CN1CCN(CC2(C)CC[NH+](CCCO[C@H]3CCCCO3)CC2)CC1 ZINC000366974580 555986608 /nfs/dbraw/zinc/98/66/08/555986608.db2.gz GQPMXTDIHFSDDN-IBGZPJMESA-N 1 3 353.551 2.269 20 0 FEADHO C[C@H]1CN(CCC(=O)OCc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367582041 556088704 /nfs/dbraw/zinc/08/87/04/556088704.db2.gz HUUIVNULIMVQND-AZUAARDMSA-N 1 3 359.514 2.078 20 0 FEADHO C[C@H]1C[N@H+](CCC(=O)OCc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000367582041 556088707 /nfs/dbraw/zinc/08/87/07/556088707.db2.gz HUUIVNULIMVQND-AZUAARDMSA-N 1 3 359.514 2.078 20 0 FEADHO C[C@H]1C[N@@H+](CCC(=O)OCc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000367582041 556088710 /nfs/dbraw/zinc/08/87/10/556088710.db2.gz HUUIVNULIMVQND-AZUAARDMSA-N 1 3 359.514 2.078 20 0 FEADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCCN3CCc4ccccc4C3)C[C@H]21 ZINC000367591310 556091732 /nfs/dbraw/zinc/09/17/32/556091732.db2.gz WMOYAVZOOLKARB-UYAOXDASSA-N 1 3 356.514 2.170 20 0 FEADHO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCCN3CCc4ccccc4C3)C[C@H]21 ZINC000367591310 556091737 /nfs/dbraw/zinc/09/17/37/556091737.db2.gz WMOYAVZOOLKARB-UYAOXDASSA-N 1 3 356.514 2.170 20 0 FEADHO Cc1ccccc1CNC(=O)[C@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367685156 556114186 /nfs/dbraw/zinc/11/41/86/556114186.db2.gz PMAONBRTTVEYRJ-RXVVDRJESA-N 1 3 372.557 2.100 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+](C)[C@H]3c3cccs3)[C@@H]2C1 ZINC000367916841 556171887 /nfs/dbraw/zinc/17/18/87/556171887.db2.gz KCNVPALKZWQSDF-KYHPRHEASA-N 1 3 362.543 2.477 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+](C)[C@H]3c3cccs3)[C@@H]2C1 ZINC000367916841 556171890 /nfs/dbraw/zinc/17/18/90/556171890.db2.gz KCNVPALKZWQSDF-KYHPRHEASA-N 1 3 362.543 2.477 20 0 FEADHO COCCOc1cccc(CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)c1 ZINC000368052601 556204599 /nfs/dbraw/zinc/20/45/99/556204599.db2.gz XDUNKYWACMNYFV-FQEVSTJZSA-N 1 3 361.530 2.171 20 0 FEADHO O=C(Nc1cccc2c1CCNC2)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000515046681 561993684 /nfs/dbraw/zinc/99/36/84/561993684.db2.gz VXLVIXNOOSBHBS-PMACEKPBSA-N 1 3 372.513 2.222 20 0 FEADHO CN1CCC(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000368191596 556243740 /nfs/dbraw/zinc/24/37/40/556243740.db2.gz SXXASZJEZZFVMC-MOPGFXCFSA-N 1 3 356.514 2.244 20 0 FEADHO CN1CCC(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000368191596 556243742 /nfs/dbraw/zinc/24/37/42/556243742.db2.gz SXXASZJEZZFVMC-MOPGFXCFSA-N 1 3 356.514 2.244 20 0 FEADHO CN1CCC(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000368191599 556244029 /nfs/dbraw/zinc/24/40/29/556244029.db2.gz SXXASZJEZZFVMC-RTBURBONSA-N 1 3 356.514 2.244 20 0 FEADHO CN1CCC(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000368191599 556244030 /nfs/dbraw/zinc/24/40/30/556244030.db2.gz SXXASZJEZZFVMC-RTBURBONSA-N 1 3 356.514 2.244 20 0 FEADHO C[C@H](NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)C1=CC[N@H+](C)CC1 ZINC000369255836 556552150 /nfs/dbraw/zinc/55/21/50/556552150.db2.gz XCHZWXHXWKXKOP-SNRMKQJTSA-N 1 3 357.502 2.024 20 0 FEADHO C[C@H](NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)C1=CC[N@@H+](C)CC1 ZINC000369255836 556552152 /nfs/dbraw/zinc/55/21/52/556552152.db2.gz XCHZWXHXWKXKOP-SNRMKQJTSA-N 1 3 357.502 2.024 20 0 FEADHO CCC[NH+](CCC)CCCC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000369359331 556579824 /nfs/dbraw/zinc/57/98/24/556579824.db2.gz QECLKIMPTKSGOQ-IBGZPJMESA-N 1 3 352.567 2.127 20 0 FEADHO CCCC[N@H+](C)CC1CCN([C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000370047666 556766916 /nfs/dbraw/zinc/76/69/16/556766916.db2.gz ZHIXIHJCBHGUPZ-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO CCCC[N@@H+](C)CC1CCN([C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000370047666 556766917 /nfs/dbraw/zinc/76/69/17/556766917.db2.gz ZHIXIHJCBHGUPZ-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000370090749 556778220 /nfs/dbraw/zinc/77/82/20/556778220.db2.gz SIBOCUCQUNQAED-RTBURBONSA-N 1 3 364.578 2.031 20 0 FEADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000370090749 556778223 /nfs/dbraw/zinc/77/82/23/556778223.db2.gz SIBOCUCQUNQAED-RTBURBONSA-N 1 3 364.578 2.031 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(CCC4(F)F)C3)CC2)CC1 ZINC000516876633 562062175 /nfs/dbraw/zinc/06/21/75/562062175.db2.gz CINFTKVEQYRQSU-UHFFFAOYSA-N 1 3 355.473 2.440 20 0 FEADHO COCCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370703922 556944850 /nfs/dbraw/zinc/94/48/50/556944850.db2.gz VMBAVHPVEWGRAJ-GHTZIAJQSA-N 1 3 361.530 2.170 20 0 FEADHO COCCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370703922 556944851 /nfs/dbraw/zinc/94/48/51/556944851.db2.gz VMBAVHPVEWGRAJ-GHTZIAJQSA-N 1 3 361.530 2.170 20 0 FEADHO C[NH+]1CCC(n2ccc(NC(=O)Nc3ccc4c(c3)OCCNC4)n2)CC1 ZINC000625941198 556956152 /nfs/dbraw/zinc/95/61/52/556956152.db2.gz HRAFMUHKLKHBQX-UHFFFAOYSA-N 1 3 370.457 2.276 20 0 FEADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccn(CCN(C)C)n3)C2)CC1 ZINC000517039227 562072902 /nfs/dbraw/zinc/07/29/02/562072902.db2.gz VAFJIZQYLDULOG-GOSISDBHSA-N 1 3 361.534 2.029 20 0 FEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000371280913 557129654 /nfs/dbraw/zinc/12/96/54/557129654.db2.gz SPTDYESGZVQLNB-LSTHTHJFSA-N 1 3 352.482 2.498 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000371313192 557142132 /nfs/dbraw/zinc/14/21/32/557142132.db2.gz JWRJHCKKIVUOLZ-GJYPPUQNSA-N 1 3 360.546 2.375 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371313192 557142134 /nfs/dbraw/zinc/14/21/34/557142134.db2.gz JWRJHCKKIVUOLZ-GJYPPUQNSA-N 1 3 360.546 2.375 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)c1 ZINC000371506795 557204250 /nfs/dbraw/zinc/20/42/50/557204250.db2.gz VGWOAGRSNSEHNQ-MJGOQNOKSA-N 1 3 372.513 2.020 20 0 FEADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC[C@@H]4CN(C5CC5)CCO4)[C@@H]3C2)cc1 ZINC000371605147 557237423 /nfs/dbraw/zinc/23/74/23/557237423.db2.gz HEOKYWMGISNHBH-PDGJWGCVSA-N 1 3 355.526 2.350 20 0 FEADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@@H]4CN(C5CC5)CCO4)[C@@H]3C2)cc1 ZINC000371605147 557237429 /nfs/dbraw/zinc/23/74/29/557237429.db2.gz HEOKYWMGISNHBH-PDGJWGCVSA-N 1 3 355.526 2.350 20 0 FEADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CN(C5CC5)CCO4)[C@@H]3C2)cc1 ZINC000371605147 557237433 /nfs/dbraw/zinc/23/74/33/557237433.db2.gz HEOKYWMGISNHBH-PDGJWGCVSA-N 1 3 355.526 2.350 20 0 FEADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000371610113 557238701 /nfs/dbraw/zinc/23/87/01/557238701.db2.gz BGRBAPGEJRFFJX-PMACEKPBSA-N 1 3 357.498 2.290 20 0 FEADHO O=C(C[C@H]1CSCCN1)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000372091467 557378226 /nfs/dbraw/zinc/37/82/26/557378226.db2.gz DAAGYYIQOQIDCU-IBGZPJMESA-N 1 3 361.555 2.152 20 0 FEADHO C[N@@H+]1CC[C@@H](CNC(=O)C2(N)Cc3ccccc3C2)[C@@H]1c1cccs1 ZINC000372099274 557379817 /nfs/dbraw/zinc/37/98/17/557379817.db2.gz SOMSFGMPDXACKS-FUHWJXTLSA-N 1 3 355.507 2.353 20 0 FEADHO C[N@H+]1CC[C@@H](CNC(=O)C2(N)Cc3ccccc3C2)[C@@H]1c1cccs1 ZINC000372099274 557379821 /nfs/dbraw/zinc/37/98/21/557379821.db2.gz SOMSFGMPDXACKS-FUHWJXTLSA-N 1 3 355.507 2.353 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CCO)c3ccco3)CC2)CC1 ZINC000518998913 562123020 /nfs/dbraw/zinc/12/30/20/562123020.db2.gz QNTCHLPOBMCCQJ-GOSISDBHSA-N 1 3 363.502 2.016 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000519591129 562136207 /nfs/dbraw/zinc/13/62/07/562136207.db2.gz IYXNYECVFNXSKJ-JCHJZTRSSA-N 1 3 351.535 2.384 20 0 FEADHO CO[C@H](C[NH3+])CC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000519715096 562141161 /nfs/dbraw/zinc/14/11/61/562141161.db2.gz WZHPJCOCLAZCGS-IBGZPJMESA-N 1 3 355.482 2.395 20 0 FEADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000372921612 557588883 /nfs/dbraw/zinc/58/88/83/557588883.db2.gz GCPBVVHHSZDAMD-LJQANCHMSA-N 1 3 373.545 2.419 20 0 FEADHO O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000373281789 557664420 /nfs/dbraw/zinc/66/44/20/557664420.db2.gz URZXBELMSCWVCH-PCCBWWKXSA-N 1 3 371.525 2.134 20 0 FEADHO O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000373281789 557664422 /nfs/dbraw/zinc/66/44/22/557664422.db2.gz URZXBELMSCWVCH-PCCBWWKXSA-N 1 3 371.525 2.134 20 0 FEADHO CN(C[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CC1 ZINC000520292069 562152752 /nfs/dbraw/zinc/15/27/52/562152752.db2.gz OLWMNCJEIFURIS-HJNYFJLDSA-N 1 3 357.542 2.428 20 0 FEADHO CN(C[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC1 ZINC000520292069 562152753 /nfs/dbraw/zinc/15/27/53/562152753.db2.gz OLWMNCJEIFURIS-HJNYFJLDSA-N 1 3 357.542 2.428 20 0 FEADHO CCN1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCCN3CC)CC2)CC1 ZINC000521065451 562169004 /nfs/dbraw/zinc/16/90/04/562169004.db2.gz VVRFCHLFSNHVIR-FQEVSTJZSA-N 1 3 364.578 2.173 20 0 FEADHO CN(C(=O)CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000375235811 557996320 /nfs/dbraw/zinc/99/63/20/557996320.db2.gz CGYPBSFSHNPZIX-UHFFFAOYSA-N 1 3 372.557 2.389 20 0 FEADHO C[C@@H](CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C[NH+](C)C ZINC000521416243 562175863 /nfs/dbraw/zinc/17/58/63/562175863.db2.gz KXQPYGGCGUZBJX-DOTOQJQBSA-N 1 3 353.457 2.458 20 0 FEADHO CC1CCC(OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000375692449 558068414 /nfs/dbraw/zinc/06/84/14/558068414.db2.gz MGNHXHITQLHXNY-UHFFFAOYSA-N 1 3 351.535 2.257 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000376189305 558138428 /nfs/dbraw/zinc/13/84/28/558138428.db2.gz CABOKYHFIPODEZ-QRQLOZEOSA-N 1 3 366.550 2.048 20 0 FEADHO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000376258546 558148808 /nfs/dbraw/zinc/14/88/08/558148808.db2.gz SDFMLRHNCZCRFS-INIZCTEOSA-N 1 3 360.502 2.111 20 0 FEADHO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000376258546 558148810 /nfs/dbraw/zinc/14/88/10/558148810.db2.gz SDFMLRHNCZCRFS-INIZCTEOSA-N 1 3 360.502 2.111 20 0 FEADHO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCC(=O)N3C)CC[C@H]1N1CCN(C)CC1 ZINC000376322978 558157772 /nfs/dbraw/zinc/15/77/72/558157772.db2.gz FYRHDHARLZDTHR-FXAWDEMLSA-N 1 3 370.541 2.053 20 0 FEADHO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCC(=O)N3C)CC[C@H]1N1CCN(C)CC1 ZINC000376322978 558157774 /nfs/dbraw/zinc/15/77/74/558157774.db2.gz FYRHDHARLZDTHR-FXAWDEMLSA-N 1 3 370.541 2.053 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000376646933 558202843 /nfs/dbraw/zinc/20/28/43/558202843.db2.gz RKSIUVVITCMZEY-PKOBYXMFSA-N 1 3 366.550 2.144 20 0 FEADHO O=C(NCC1(O)CCN(Cc2ccccc2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000521830122 562184319 /nfs/dbraw/zinc/18/43/19/562184319.db2.gz QOYBETXGVOIJOQ-UHFFFAOYSA-N 1 3 371.525 2.004 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000522256667 562195226 /nfs/dbraw/zinc/19/52/26/562195226.db2.gz NEPZNVHNDAMGFC-JQVVWYNYSA-N 1 3 373.541 2.108 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000522256667 562195227 /nfs/dbraw/zinc/19/52/27/562195227.db2.gz NEPZNVHNDAMGFC-JQVVWYNYSA-N 1 3 373.541 2.108 20 0 FEADHO COCCCN1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000377485520 558348971 /nfs/dbraw/zinc/34/89/71/558348971.db2.gz BYQBGERIPGRVHE-NRFANRHFSA-N 1 3 373.541 2.469 20 0 FEADHO COCCCN1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377485520 558348972 /nfs/dbraw/zinc/34/89/72/558348972.db2.gz BYQBGERIPGRVHE-NRFANRHFSA-N 1 3 373.541 2.469 20 0 FEADHO CN(CCCN(C)CC(=O)N1CCC[C@@H]1c1ccsc1)CC[NH+](C)C ZINC000377535987 558360010 /nfs/dbraw/zinc/36/00/10/558360010.db2.gz ONUUXCKGHGADMT-GOSISDBHSA-N 1 3 366.575 2.227 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000377766294 558415568 /nfs/dbraw/zinc/41/55/68/558415568.db2.gz ZJNNPSYLEAIQTC-CUYAVPTFSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@H](CC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]C1 ZINC000391031014 558613205 /nfs/dbraw/zinc/61/32/05/558613205.db2.gz WCCXIPHNUZYVER-GIVPXCGWSA-N 1 3 373.541 2.420 20 0 FEADHO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390954968 558613425 /nfs/dbraw/zinc/61/34/25/558613425.db2.gz VEMNFTPFWQVAAX-UYAOXDASSA-N 1 3 359.514 2.174 20 0 FEADHO CN(C(=O)NCCC[NH+]1CCCC1)C1CCN(CCc2ccccn2)CC1 ZINC000524047069 562223469 /nfs/dbraw/zinc/22/34/69/562223469.db2.gz WPHNWJDEKZHQMF-UHFFFAOYSA-N 1 3 373.545 2.216 20 0 FEADHO C[C@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000524077067 562223742 /nfs/dbraw/zinc/22/37/42/562223742.db2.gz OYDUEIKNVKPVHF-QZTJIDSGSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000524077067 562223743 /nfs/dbraw/zinc/22/37/43/562223743.db2.gz OYDUEIKNVKPVHF-QZTJIDSGSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@H]1CC[N@H+](CCNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000524774753 562234377 /nfs/dbraw/zinc/23/43/77/562234377.db2.gz ANUQGPYSJHSCIO-IBGZPJMESA-N 1 3 358.530 2.047 20 0 FEADHO C[C@H]1CC[N@@H+](CCNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000524774753 562234378 /nfs/dbraw/zinc/23/43/78/562234378.db2.gz ANUQGPYSJHSCIO-IBGZPJMESA-N 1 3 358.530 2.047 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000410406677 558755497 /nfs/dbraw/zinc/75/54/97/558755497.db2.gz IGOPXDPZHCEEBE-QZTJIDSGSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000410406677 558755498 /nfs/dbraw/zinc/75/54/98/558755498.db2.gz IGOPXDPZHCEEBE-QZTJIDSGSA-N 1 3 360.502 2.053 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)Oc1ccc(Cl)cc1 ZINC000524788344 562235038 /nfs/dbraw/zinc/23/50/38/562235038.db2.gz RLUNBPZQPIQNET-OAHLLOKOSA-N 1 3 370.925 2.242 20 0 FEADHO NS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411308532 558873347 /nfs/dbraw/zinc/87/33/47/558873347.db2.gz OPJCBFGDKTYDQK-LJQANCHMSA-N 1 3 365.543 2.173 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC000525965764 562261352 /nfs/dbraw/zinc/26/13/52/562261352.db2.gz XRENBYXPFWDWTI-UHFFFAOYSA-N 1 3 373.473 2.138 20 0 FEADHO Cc1ccnc(-c2cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c2)n1 ZINC000525884170 562258519 /nfs/dbraw/zinc/25/85/19/562258519.db2.gz WVQSJZDKXACOKN-UHFFFAOYSA-N 1 3 370.501 2.409 20 0 FEADHO COc1cc2[nH+]ccc(NC[C@@H](C(C)C)N3CCN(C)CC3)c2cc1OC ZINC000413036534 559071328 /nfs/dbraw/zinc/07/13/28/559071328.db2.gz DSOUWZQCAKCJDD-IBGZPJMESA-N 1 3 372.513 2.358 20 0 FEADHO CCc1cc(NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)cc[nH+]1 ZINC000413579965 559118018 /nfs/dbraw/zinc/11/80/18/559118018.db2.gz VHPCNDDBDHBNNJ-UHFFFAOYSA-N 1 3 352.482 2.375 20 0 FEADHO CN1CCC(C[NH2+]C2CC(OCc3ccccc3)C2)(N2CCOCC2)CC1 ZINC000414179848 559151747 /nfs/dbraw/zinc/15/17/47/559151747.db2.gz ANPHQLFJBGEWGH-UHFFFAOYSA-N 1 3 373.541 2.120 20 0 FEADHO Cc1nc2c(s1)[C@@H]([NH2+]CC1(N3CCOCC3)CCN(C)CC1)CCC2 ZINC000414202729 559152648 /nfs/dbraw/zinc/15/26/48/559152648.db2.gz UQBDZITVXOYWBP-INIZCTEOSA-N 1 3 364.559 2.215 20 0 FEADHO CCN(CC)C(=O)C[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414302326 559155654 /nfs/dbraw/zinc/15/56/54/559155654.db2.gz KNXHMIAJTXANQG-SFHVURJKSA-N 1 3 361.530 2.250 20 0 FEADHO CC[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1CCOC1 ZINC000414336490 559157161 /nfs/dbraw/zinc/15/71/61/559157161.db2.gz ZKWXFCJCUZFAAA-UXHICEINSA-N 1 3 359.514 2.289 20 0 FEADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1CCCOC1 ZINC000414335695 559157205 /nfs/dbraw/zinc/15/72/05/559157205.db2.gz HPZPMWVSIQFAGH-OXJNMPFZSA-N 1 3 359.514 2.289 20 0 FEADHO Cc1ccc(C(=O)C2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000414689586 559179751 /nfs/dbraw/zinc/17/97/51/559179751.db2.gz LDBXQNUHYIMMDE-QGZVFWFLSA-N 1 3 357.498 2.087 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000414699340 559180466 /nfs/dbraw/zinc/18/04/66/559180466.db2.gz YFTHICZNHKIBCI-CALCHBBNSA-N 1 3 374.529 2.219 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000414699340 559180467 /nfs/dbraw/zinc/18/04/67/559180467.db2.gz YFTHICZNHKIBCI-CALCHBBNSA-N 1 3 374.529 2.219 20 0 FEADHO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000414731426 559183047 /nfs/dbraw/zinc/18/30/47/559183047.db2.gz BSYNZGWKSJSWOR-LBTNJELSSA-N 1 3 353.894 2.203 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1 ZINC000414740012 559183945 /nfs/dbraw/zinc/18/39/45/559183945.db2.gz CWEBCOYKMYUNLO-FZKCQIBNSA-N 1 3 360.502 2.127 20 0 FEADHO COc1ccc(CCC(=O)N2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000414754319 559185135 /nfs/dbraw/zinc/18/51/35/559185135.db2.gz XOBSBSLBESAZQU-IEBWSBKVSA-N 1 3 359.514 2.160 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)cc1 ZINC000414856609 559191100 /nfs/dbraw/zinc/19/11/00/559191100.db2.gz ONTRTANMBKUZQU-QAPCUYQASA-N 1 3 358.486 2.122 20 0 FEADHO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCCN1CC[NH2+]CC1 ZINC000414868403 559191853 /nfs/dbraw/zinc/19/18/53/559191853.db2.gz PLASJWFNWBDLBX-UHFFFAOYSA-N 1 3 361.921 2.196 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000414881472 559192719 /nfs/dbraw/zinc/19/27/19/559192719.db2.gz LAIKWUIYJNXRFF-HNNXBMFYSA-N 1 3 358.486 2.122 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415073483 559203902 /nfs/dbraw/zinc/20/39/02/559203902.db2.gz YOGWUKKRRNAGHX-ROUUACIJSA-N 1 3 374.554 2.351 20 0 FEADHO COc1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc(OC)c1OC ZINC000415119505 559206275 /nfs/dbraw/zinc/20/62/75/559206275.db2.gz FOJUYHRHPNWJLG-SJORKVTESA-N 1 3 364.486 2.431 20 0 FEADHO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)nn1 ZINC000415139553 559207991 /nfs/dbraw/zinc/20/79/91/559207991.db2.gz ZWASNHNRWUOJSG-ICSRJNTNSA-N 1 3 371.485 2.132 20 0 FEADHO CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415424310 559234435 /nfs/dbraw/zinc/23/44/35/559234435.db2.gz HYTCUUVDVCYADN-IBGZPJMESA-N 1 3 374.529 2.347 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000415453545 559238844 /nfs/dbraw/zinc/23/88/44/559238844.db2.gz QXDKJKBTYKIJSM-UHFFFAOYSA-N 1 3 374.529 2.424 20 0 FEADHO CN(C)CCn1nccc1NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000415762012 559268623 /nfs/dbraw/zinc/26/86/23/559268623.db2.gz VIAXGLZCKJTWND-SFHVURJKSA-N 1 3 366.469 2.419 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415887120 559281262 /nfs/dbraw/zinc/28/12/62/559281262.db2.gz WUKZKPFWWISMTF-IBGZPJMESA-N 1 3 360.502 2.297 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416006704 559288857 /nfs/dbraw/zinc/28/88/57/559288857.db2.gz LRVIMEQIUUNTJG-GFCCVEGCSA-N 1 3 352.426 2.101 20 0 FEADHO C[NH2+]Cc1cccc(NC(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000415934709 559283413 /nfs/dbraw/zinc/28/34/13/559283413.db2.gz RYDCPRLYEATAQL-MRXNPFEDSA-N 1 3 359.518 2.038 20 0 FEADHO [NH3+]CCOc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000415951197 559284272 /nfs/dbraw/zinc/28/42/72/559284272.db2.gz CDFIKGLZGTXYHR-SFHVURJKSA-N 1 3 354.454 2.420 20 0 FEADHO O=C(Nc1ccc2c(c1)CNC2)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000415996124 559287888 /nfs/dbraw/zinc/28/78/88/559287888.db2.gz MHLRSTCZWCTAPN-MOPGFXCFSA-N 1 3 358.486 2.179 20 0 FEADHO CN1CCN(CC2CCN(C(=O)C[C@@H](c3ccccc3)[NH+](C)C)CC2)CC1 ZINC000416154712 559295063 /nfs/dbraw/zinc/29/50/63/559295063.db2.gz BEVSXPQXIFSSGH-NRFANRHFSA-N 1 3 372.557 2.165 20 0 FEADHO [NH3+]CCCOC1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000416783934 559332687 /nfs/dbraw/zinc/33/26/87/559332687.db2.gz IJRVVPKYDUBEHM-FQEVSTJZSA-N 1 3 374.529 2.363 20 0 FEADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000416789113 559332792 /nfs/dbraw/zinc/33/27/92/559332792.db2.gz RLDURSFBZZCCLS-HSALFYBXSA-N 1 3 356.514 2.465 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CNCCC1(F)F)c1ccccc1 ZINC000416841334 559334580 /nfs/dbraw/zinc/33/45/80/559334580.db2.gz LQXOBEXXYKDZJB-HZPDHXFCSA-N 1 3 354.445 2.366 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N1CCC(C[NH3+])CC1)c1cccc(OC)c1 ZINC000416903228 559337411 /nfs/dbraw/zinc/33/74/11/559337411.db2.gz CCBYMWZDSYBCFM-IBGZPJMESA-N 1 3 362.518 2.458 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)c1cccc(OC)c1 ZINC000416918718 559338364 /nfs/dbraw/zinc/33/83/64/559338364.db2.gz JEOWNDAIPRBADX-ICSRJNTNSA-N 1 3 362.518 2.458 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000416975128 559341445 /nfs/dbraw/zinc/34/14/45/559341445.db2.gz MIXDJOSYZQWDKQ-HKUYNNGSSA-N 1 3 356.514 2.210 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000416991708 559342518 /nfs/dbraw/zinc/34/25/18/559342518.db2.gz ORIXPQVMWZZSJZ-DLBZAZTESA-N 1 3 362.518 2.299 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417176073 559351391 /nfs/dbraw/zinc/35/13/91/559351391.db2.gz BTRWIEBYQZCXRZ-UXHICEINSA-N 1 3 358.530 2.190 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000417328671 559357800 /nfs/dbraw/zinc/35/78/00/559357800.db2.gz IRGSZSATFRLXBF-RBUKOAKNSA-N 1 3 374.529 2.334 20 0 FEADHO CC1(C)CN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCN1 ZINC000417369800 559359674 /nfs/dbraw/zinc/35/96/74/559359674.db2.gz ROYGCAYLJWYCCL-OAHLLOKOSA-N 1 3 350.532 2.354 20 0 FEADHO CC1(C)CN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCN1 ZINC000417369800 559359675 /nfs/dbraw/zinc/35/96/75/559359675.db2.gz ROYGCAYLJWYCCL-OAHLLOKOSA-N 1 3 350.532 2.354 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417380579 559360195 /nfs/dbraw/zinc/36/01/95/559360195.db2.gz KRBYTHGMQDYZHZ-IRXDYDNUSA-N 1 3 362.543 2.211 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000417515874 559365501 /nfs/dbraw/zinc/36/55/01/559365501.db2.gz MFSSVIFSGUHXHB-PZJWPPBQSA-N 1 3 374.529 2.091 20 0 FEADHO C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@H](N)c2ccccc2)cc1 ZINC000417527497 559365993 /nfs/dbraw/zinc/36/59/93/559365993.db2.gz OAOHOYCFKMPBOU-FQEVSTJZSA-N 1 3 370.497 2.169 20 0 FEADHO CC1(C)CN(C2(CNC(=O)NCCC[NH2+]C3CC3)CCCCC2)CCO1 ZINC000417581459 559367748 /nfs/dbraw/zinc/36/77/48/559367748.db2.gz HTGIJOMFVOTEPL-UHFFFAOYSA-N 1 3 366.550 2.241 20 0 FEADHO O=C(NCC[C@H]1CCC[NH2+]1)NCc1ccc(OCCN2CCCC2)cc1 ZINC000417595845 559368784 /nfs/dbraw/zinc/36/87/84/559368784.db2.gz OPWXRFPENZQCQW-GOSISDBHSA-N 1 3 360.502 2.103 20 0 FEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417644372 559369927 /nfs/dbraw/zinc/36/99/27/559369927.db2.gz AKFKHWJQPLBHPV-CTNGQTDRSA-N 1 3 356.514 2.436 20 0 FEADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417676164 559371784 /nfs/dbraw/zinc/37/17/84/559371784.db2.gz CUFDMKVPRJNSDJ-RTBURBONSA-N 1 3 358.530 2.496 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)Cc2ccccc2C1 ZINC000417730293 559374315 /nfs/dbraw/zinc/37/43/15/559374315.db2.gz DMKKWYCFOIPMHV-WOJBJXKFSA-N 1 3 370.541 2.117 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000417816621 559377527 /nfs/dbraw/zinc/37/75/27/559377527.db2.gz UOMNPNGNXTVZDC-UHFFFAOYSA-N 1 3 368.566 2.487 20 0 FEADHO O=C(NCCCOC1CCN(Cc2ccccc2)CC1)NC[C@H]1CCC[NH2+]1 ZINC000417821623 559377769 /nfs/dbraw/zinc/37/77/69/559377769.db2.gz ISWPYHLXAWEYPV-LJQANCHMSA-N 1 3 374.529 2.109 20 0 FEADHO CC(C)(C[NH3+])NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000417825304 559377885 /nfs/dbraw/zinc/37/78/85/559377885.db2.gz MZTPSHXACFDYOP-UHFFFAOYSA-N 1 3 362.518 2.094 20 0 FEADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418071465 559389031 /nfs/dbraw/zinc/38/90/31/559389031.db2.gz IVMSCVIVEKYVSM-VQTJNVASSA-N 1 3 374.529 2.109 20 0 FEADHO CC1(C)CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCN1 ZINC000418111594 559390475 /nfs/dbraw/zinc/39/04/75/559390475.db2.gz YAXCQDAWMWEWBS-UHFFFAOYSA-N 1 3 362.440 2.185 20 0 FEADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418159273 559392297 /nfs/dbraw/zinc/39/22/97/559392297.db2.gz DDAXLEMVJQLPIP-DOTOQJQBSA-N 1 3 360.502 2.038 20 0 FEADHO C[C@H](NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)[C@@H](c1ccccc1)N(C)C ZINC000418160148 559392419 /nfs/dbraw/zinc/39/24/19/559392419.db2.gz BAADIZYUBZHHAG-WDSOQIARSA-N 1 3 374.529 2.075 20 0 FEADHO CN1CCC(N(Cc2ccccc2Br)C(=O)NCC[NH3+])CC1 ZINC000418298389 559396686 /nfs/dbraw/zinc/39/66/86/559396686.db2.gz PYEICJMGDAPHTA-UHFFFAOYSA-N 1 3 369.307 2.014 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418331054 559397764 /nfs/dbraw/zinc/39/77/64/559397764.db2.gz CIGWBFRDALMUSH-MISYRCLQSA-N 1 3 373.545 2.466 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418344291 559398420 /nfs/dbraw/zinc/39/84/20/559398420.db2.gz KKEBTZOUQMAKCB-ICSRJNTNSA-N 1 3 373.545 2.467 20 0 FEADHO O=C(NCC[C@H]1CC[NH2+]C1)N1CCCN(CCCc2ccccc2)CC1 ZINC000418346649 559398491 /nfs/dbraw/zinc/39/84/91/559398491.db2.gz UWPGXFSSDWKNMS-HXUWFJFHSA-N 1 3 358.530 2.336 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418399266 559400154 /nfs/dbraw/zinc/40/01/54/559400154.db2.gz DPYRZKRZJPJTCU-SJLPKXTDSA-N 1 3 350.482 2.416 20 0 FEADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@H](N)c2ccccc2)cc1 ZINC000418405209 559400330 /nfs/dbraw/zinc/40/03/30/559400330.db2.gz BAGXJQNJFFYAPA-SLFFLAALSA-N 1 3 368.481 2.140 20 0 FEADHO CCCC[C@H](C[NH3+])NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418462304 559402695 /nfs/dbraw/zinc/40/26/95/559402695.db2.gz KCDFNIBJRVPFGZ-JFIYKMOQSA-N 1 3 354.539 2.035 20 0 FEADHO CN(C)[C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000418560073 559406182 /nfs/dbraw/zinc/40/61/82/559406182.db2.gz DAINHXVYHITXKW-IIDMSEBBSA-N 1 3 366.456 2.146 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418588034 559407199 /nfs/dbraw/zinc/40/71/99/559407199.db2.gz HMROVYCFJUQKFC-DYVFJYSZSA-N 1 3 354.445 2.036 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC000418600452 559407452 /nfs/dbraw/zinc/40/74/52/559407452.db2.gz KVNHRARKTXTOAD-UKRRQHHQSA-N 1 3 354.445 2.179 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418659753 559410134 /nfs/dbraw/zinc/41/01/34/559410134.db2.gz MNTRCFGFZQMQPC-DLBZAZTESA-N 1 3 350.532 2.209 20 0 FEADHO C[C@H]([NH3+])[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418691380 559411415 /nfs/dbraw/zinc/41/14/15/559411415.db2.gz DTLSKWCBAUAOKK-STQMWFEESA-N 1 3 371.323 2.258 20 0 FEADHO O=C(N[C@H]1CNCCC1(F)F)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000418756842 559414224 /nfs/dbraw/zinc/41/42/24/559414224.db2.gz YQIKVAZTFHKJDR-INIZCTEOSA-N 1 3 358.477 2.281 20 0 FEADHO O=C(N[C@H]1CNCCC1(F)F)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000418756842 559414225 /nfs/dbraw/zinc/41/42/25/559414225.db2.gz YQIKVAZTFHKJDR-INIZCTEOSA-N 1 3 358.477 2.281 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000418778186 559415672 /nfs/dbraw/zinc/41/56/72/559415672.db2.gz WBQIFWJGFWKUHD-SFHVURJKSA-N 1 3 362.518 2.301 20 0 FEADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000419173820 559431277 /nfs/dbraw/zinc/43/12/77/559431277.db2.gz UOODNSGZFXREOJ-LPHOPBHVSA-N 1 3 374.529 2.093 20 0 FEADHO CN(C)[C@H](CNC(=O)CN(C)C(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000419364163 559439697 /nfs/dbraw/zinc/43/96/97/559439697.db2.gz DLSDVBLPGCKVHB-LJQANCHMSA-N 1 3 360.546 2.212 20 0 FEADHO CC(C)Oc1cccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420325491 559480656 /nfs/dbraw/zinc/48/06/56/559480656.db2.gz IMXTYWFSZUHQIN-RTBURBONSA-N 1 3 359.514 2.412 20 0 FEADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCCCOC1CCCCC1 ZINC000420325468 559480660 /nfs/dbraw/zinc/48/06/60/559480660.db2.gz IKXJJTKVKLIVIY-ROUUACIJSA-N 1 3 351.535 2.164 20 0 FEADHO Cc1cccc(C)c1OCCNC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330951 559481105 /nfs/dbraw/zinc/48/11/05/559481105.db2.gz QIMZDFQCLXPMBI-RBUKOAKNSA-N 1 3 359.514 2.120 20 0 FEADHO CC(C)OCc1ccccc1CNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420333234 559481319 /nfs/dbraw/zinc/48/13/19/559481319.db2.gz KCMVOIAZTQEHGL-KDURUIRLSA-N 1 3 359.514 2.159 20 0 FEADHO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335967 559481507 /nfs/dbraw/zinc/48/15/07/559481507.db2.gz IHAIPHVXVBEUSO-OWCLPIDISA-N 1 3 359.470 2.106 20 0 FEADHO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420340481 559481912 /nfs/dbraw/zinc/48/19/12/559481912.db2.gz PMDZCKDPANCKPK-HRCADAONSA-N 1 3 359.470 2.106 20 0 FEADHO COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000420346047 559482093 /nfs/dbraw/zinc/48/20/93/559482093.db2.gz XHJMEXBVCVKTLW-HRCADAONSA-N 1 3 361.486 2.352 20 0 FEADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)C(=O)NC3CCCCC3)CC2)CC1 ZINC000421002723 559518772 /nfs/dbraw/zinc/51/87/72/559518772.db2.gz GQKDCOUJCQNGOT-SFHVURJKSA-N 1 3 364.578 2.316 20 0 FEADHO CCN1CCC([N@H+]2CCCN([C@@H](C)C(=O)NC3CCCCC3)CC2)CC1 ZINC000421002723 559518773 /nfs/dbraw/zinc/51/87/73/559518773.db2.gz GQKDCOUJCQNGOT-SFHVURJKSA-N 1 3 364.578 2.316 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N3[C@H](C)CCC[C@@H]3C)CC2)CC1 ZINC000421013424 559519485 /nfs/dbraw/zinc/51/94/85/559519485.db2.gz QZEAXBLLGIAVDI-KDURUIRLSA-N 1 3 364.578 2.268 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)N3[C@H](C)CCC[C@@H]3C)CC2)CC1 ZINC000421013424 559519486 /nfs/dbraw/zinc/51/94/86/559519486.db2.gz QZEAXBLLGIAVDI-KDURUIRLSA-N 1 3 364.578 2.268 20 0 FEADHO CCN1CCC([N@@H+]2CCCN([C@H](C)C(=O)N3CCC(C)CC3)CC2)CC1 ZINC000421018012 559519826 /nfs/dbraw/zinc/51/98/26/559519826.db2.gz WBSNAFPZOISHBP-LJQANCHMSA-N 1 3 364.578 2.125 20 0 FEADHO CCN1CCC([N@H+]2CCCN([C@H](C)C(=O)N3CCC(C)CC3)CC2)CC1 ZINC000421018012 559519827 /nfs/dbraw/zinc/51/98/27/559519827.db2.gz WBSNAFPZOISHBP-LJQANCHMSA-N 1 3 364.578 2.125 20 0 FEADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000421297637 559536999 /nfs/dbraw/zinc/53/69/99/559536999.db2.gz LPVMCGJKQUSPIZ-IBGZPJMESA-N 1 3 372.513 2.164 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)NC(C)(C)CC[NH3+])CC2)cc1 ZINC000422593811 559596892 /nfs/dbraw/zinc/59/68/92/559596892.db2.gz GYWLOCPDWJZGEF-UHFFFAOYSA-N 1 3 362.518 2.334 20 0 FEADHO COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H](C)C[C@@H](C)N)c1 ZINC000422904557 559610672 /nfs/dbraw/zinc/61/06/72/559610672.db2.gz GYHVBLRJKCAHNU-NEPJUHHUSA-N 1 3 372.307 2.293 20 0 FEADHO COc1ccc(Br)c(C(=O)NCCCN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422904557 559610673 /nfs/dbraw/zinc/61/06/73/559610673.db2.gz GYHVBLRJKCAHNU-NEPJUHHUSA-N 1 3 372.307 2.293 20 0 FEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000422730064 559604614 /nfs/dbraw/zinc/60/46/14/559604614.db2.gz JFCIOAAKQNPRKW-DZGCQCFKSA-N 1 3 354.292 2.286 20 0 FEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422730064 559604615 /nfs/dbraw/zinc/60/46/15/559604615.db2.gz JFCIOAAKQNPRKW-DZGCQCFKSA-N 1 3 354.292 2.286 20 0 FEADHO C[C@@H](NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)C1C[NH2+]C1 ZINC000422786578 559606619 /nfs/dbraw/zinc/60/66/19/559606619.db2.gz SQZPKWHZWBHUFG-CYBMUJFWSA-N 1 3 356.436 2.155 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2cnn(Cc3ccccc3)c2)CC[NH2+]CC1 ZINC000422832630 559608020 /nfs/dbraw/zinc/60/80/20/559608020.db2.gz LFIRKSURMAWEGN-QGZVFWFLSA-N 1 3 370.497 2.342 20 0 FEADHO C(N[C@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCC1 ZINC000422842173 559608115 /nfs/dbraw/zinc/60/81/15/559608115.db2.gz FDYXPAFCHXZRGT-SQNIBIBYSA-N 1 3 353.576 2.095 20 0 FEADHO CCN1CCN(CCCN[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422855522 559608666 /nfs/dbraw/zinc/60/86/66/559608666.db2.gz FAAKKZKHEIVXNT-LEWJYISDSA-N 1 3 360.546 2.106 20 0 FEADHO CCN1CCN(CCCCN[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422856839 559608775 /nfs/dbraw/zinc/60/87/75/559608775.db2.gz GRWXMNSUXSYTPJ-VXKWHMMOSA-N 1 3 374.573 2.496 20 0 FEADHO CCN1CCN(c2ccc(CN[C@H](Cc3ccccc3)[C@@H](C)[NH3+])cn2)CC1 ZINC000422874559 559609321 /nfs/dbraw/zinc/60/93/21/559609321.db2.gz AJSDYNUCLMPIDO-WIYYLYMNSA-N 1 3 367.541 2.272 20 0 FEADHO CCN1CCN(c2ccc(C[NH2+][C@H](Cc3ccccc3)[C@@H](C)N)cn2)CC1 ZINC000422874559 559609322 /nfs/dbraw/zinc/60/93/22/559609322.db2.gz AJSDYNUCLMPIDO-WIYYLYMNSA-N 1 3 367.541 2.272 20 0 FEADHO CN(C)CCNC(=O)c1ccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422914805 559611110 /nfs/dbraw/zinc/61/11/10/559611110.db2.gz WBOPLBYNWQNYGY-PMACEKPBSA-N 1 3 352.482 2.212 20 0 FEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H](O)COc1ccccc1Br ZINC000422934383 559611864 /nfs/dbraw/zinc/61/18/64/559611864.db2.gz FOXXWUMSEJMDSV-GUTXKFCHSA-N 1 3 357.292 2.296 20 0 FEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000422934383 559611865 /nfs/dbraw/zinc/61/18/65/559611865.db2.gz FOXXWUMSEJMDSV-GUTXKFCHSA-N 1 3 357.292 2.296 20 0 FEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000422977393 559613719 /nfs/dbraw/zinc/61/37/19/559613719.db2.gz KABYCVQUACWFAZ-NYVOZVTQSA-N 1 3 353.510 2.172 20 0 FEADHO COC[C@@H](CCC[NH3+])N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000423057273 559616893 /nfs/dbraw/zinc/61/68/93/559616893.db2.gz ZBGGHTYPGTWRFH-TZMCWYRMSA-N 1 3 359.392 2.154 20 0 FEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423062150 559617088 /nfs/dbraw/zinc/61/70/88/559617088.db2.gz MHOHBAUBQXXJMG-FUHWJXTLSA-N 1 3 372.513 2.179 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOc1ccc(I)cc1 ZINC000423107255 559619343 /nfs/dbraw/zinc/61/93/43/559619343.db2.gz DZPACVAJIPFKAN-FZMZJTMJSA-N 1 3 360.239 2.387 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000423154553 559621223 /nfs/dbraw/zinc/62/12/23/559621223.db2.gz JQNZDGRLTKCQOH-HEHGZKQESA-N 1 3 371.319 2.326 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000423154553 559621224 /nfs/dbraw/zinc/62/12/24/559621224.db2.gz JQNZDGRLTKCQOH-HEHGZKQESA-N 1 3 371.319 2.326 20 0 FEADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423201052 559622671 /nfs/dbraw/zinc/62/26/71/559622671.db2.gz HDXXUCBOEQJMHQ-FUHWJXTLSA-N 1 3 365.493 2.329 20 0 FEADHO CCN(C(=O)COC1CC[NH2+]CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000423359732 559626676 /nfs/dbraw/zinc/62/66/76/559626676.db2.gz VPEFRYPEEWTJTI-MJGOQNOKSA-N 1 3 359.514 2.439 20 0 FEADHO COc1ccc2c(c1)[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423377141 559627165 /nfs/dbraw/zinc/62/71/65/559627165.db2.gz DZCOSYZESBUFKV-SJORKVTESA-N 1 3 357.420 2.498 20 0 FEADHO CC(=O)Nc1ccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423393899 559627557 /nfs/dbraw/zinc/62/75/57/559627557.db2.gz ROKHSTZNJABNAX-MLGOLLRUSA-N 1 3 358.408 2.132 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)CCOCC1)c1ccccc1 ZINC000423422268 559628660 /nfs/dbraw/zinc/62/86/60/559628660.db2.gz KHSXGHBCNNBAPL-SCTDSRPQSA-N 1 3 359.514 2.391 20 0 FEADHO Cn1ccnc1[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)C1CC1 ZINC000423578011 559632775 /nfs/dbraw/zinc/63/27/75/559632775.db2.gz TYVOEXBWAOJMKF-IBGZPJMESA-N 1 3 353.514 2.454 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423779401 559639214 /nfs/dbraw/zinc/63/92/14/559639214.db2.gz UVQPNJQQOLAAKH-INIZCTEOSA-N 1 3 361.515 2.073 20 0 FEADHO NC(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C(F)(F)F ZINC000423913156 559645396 /nfs/dbraw/zinc/64/53/96/559645396.db2.gz WYIOKORRZHJQAQ-ARFHVFGLSA-N 1 3 355.404 2.389 20 0 FEADHO NC(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C(F)(F)F ZINC000423913156 559645397 /nfs/dbraw/zinc/64/53/97/559645397.db2.gz WYIOKORRZHJQAQ-ARFHVFGLSA-N 1 3 355.404 2.389 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)cc2)CC1 ZINC000423993885 559649608 /nfs/dbraw/zinc/64/96/08/559649608.db2.gz HYFDUPBFYSAWAI-HKUYNNGSSA-N 1 3 358.530 2.274 20 0 FEADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)N1CCCCC1 ZINC000424010539 559650850 /nfs/dbraw/zinc/65/08/50/559650850.db2.gz LGSKUFJWKFOWLC-GBESFXJTSA-N 1 3 351.535 2.242 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCN(C)C(=O)C2)CC1 ZINC000424193778 559657286 /nfs/dbraw/zinc/65/72/86/559657286.db2.gz WHJVTKYCWCYJEX-GOSISDBHSA-N 1 3 358.530 2.177 20 0 FEADHO C[C@H]1[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CCN1Cc1ccccc1 ZINC000425771570 559718789 /nfs/dbraw/zinc/71/87/89/559718789.db2.gz UADOAUFZVOYXOT-IJXRJRJASA-N 1 3 356.514 2.385 20 0 FEADHO C[C@H]1[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CCN1Cc1ccccc1 ZINC000425771570 559718790 /nfs/dbraw/zinc/71/87/90/559718790.db2.gz UADOAUFZVOYXOT-IJXRJRJASA-N 1 3 356.514 2.385 20 0 FEADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000430574811 559823324 /nfs/dbraw/zinc/82/33/24/559823324.db2.gz UKUPRVHSNMYRAO-GOSISDBHSA-N 1 3 358.530 2.045 20 0 FEADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC[C@H](C[NH3+])C1 ZINC000430604270 559824596 /nfs/dbraw/zinc/82/45/96/559824596.db2.gz MKFVBVCCNPLHKG-QGZVFWFLSA-N 1 3 355.486 2.488 20 0 FEADHO CCCC[N@H+](C)CCNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000433036384 559870143 /nfs/dbraw/zinc/87/01/43/559870143.db2.gz UQNQEVRHROJPPH-OALUTQOASA-N 1 3 361.534 2.448 20 0 FEADHO CCCC[N@@H+](C)CCNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000433036384 559870144 /nfs/dbraw/zinc/87/01/44/559870144.db2.gz UQNQEVRHROJPPH-OALUTQOASA-N 1 3 361.534 2.448 20 0 FEADHO CC(C)[NH+](CCCNC(=O)NCCCN1CCCO[C@H](C)C1)C(C)C ZINC000433407772 559880400 /nfs/dbraw/zinc/88/04/00/559880400.db2.gz YZBDCZPECWIHDE-GOSISDBHSA-N 1 3 356.555 2.295 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000433878026 559889465 /nfs/dbraw/zinc/88/94/65/559889465.db2.gz OKYCENVCEHGDER-KRWDZBQOSA-N 1 3 353.532 2.101 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434444735 559900625 /nfs/dbraw/zinc/90/06/25/559900625.db2.gz LEIVZJBIAMEHFK-OAQYLSRUSA-N 1 3 370.541 2.332 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434444735 559900626 /nfs/dbraw/zinc/90/06/26/559900626.db2.gz LEIVZJBIAMEHFK-OAQYLSRUSA-N 1 3 370.541 2.332 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3OCC(=O)N3CCCC3)C[C@H]21 ZINC000435384775 559922144 /nfs/dbraw/zinc/92/21/44/559922144.db2.gz OKFACODGSQDKKD-BHIYHBOVSA-N 1 3 357.498 2.247 20 0 FEADHO CCOC(=O)Cn1nc(C)c(CNCCC2CC[NH+](CC)CC2)c1C ZINC000438181435 559975309 /nfs/dbraw/zinc/97/53/09/559975309.db2.gz VNJFUSXRVYBJCE-UHFFFAOYSA-N 1 3 350.507 2.275 20 0 FEADHO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000438201694 559975576 /nfs/dbraw/zinc/97/55/76/559975576.db2.gz QTVKTYMJQIAKHL-FCHUYYIVSA-N 1 3 359.558 2.477 20 0 FEADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000442766636 560056726 /nfs/dbraw/zinc/05/67/26/560056726.db2.gz LDNSYLMAYXGVOF-RHSMWYFYSA-N 1 3 355.486 2.487 20 0 FEADHO CC(C)C[C@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)C(=O)NCCN(C)C ZINC000442836999 560059064 /nfs/dbraw/zinc/05/90/64/560059064.db2.gz JCPJGPGUCPSHFR-YWZLYKJASA-N 1 3 356.514 2.317 20 0 FEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000443056287 560068194 /nfs/dbraw/zinc/06/81/94/560068194.db2.gz COYMXOCLTRQPLH-INIZCTEOSA-N 1 3 364.921 2.049 20 0 FEADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000443056289 560068295 /nfs/dbraw/zinc/06/82/95/560068295.db2.gz COYMXOCLTRQPLH-MRXNPFEDSA-N 1 3 364.921 2.049 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2CCN(C)C)C[C@@H]1C ZINC000446049507 560138637 /nfs/dbraw/zinc/13/86/37/560138637.db2.gz AYFUHJWDFFROFA-FUHWJXTLSA-N 1 3 374.529 2.060 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2CCN(C)C)C[C@@H]1C ZINC000446049507 560138638 /nfs/dbraw/zinc/13/86/38/560138638.db2.gz AYFUHJWDFFROFA-FUHWJXTLSA-N 1 3 374.529 2.060 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc(F)c1F ZINC000446130467 560140422 /nfs/dbraw/zinc/14/04/22/560140422.db2.gz KHXMBNVBGQHIOE-INIZCTEOSA-N 1 3 353.457 2.382 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc(F)c1F ZINC000446130467 560140423 /nfs/dbraw/zinc/14/04/23/560140423.db2.gz KHXMBNVBGQHIOE-INIZCTEOSA-N 1 3 353.457 2.382 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC12CCSCC2 ZINC000448851985 560202832 /nfs/dbraw/zinc/20/28/32/560202832.db2.gz GVCAXLYXUBVNAS-IAGOWNOFSA-N 1 3 353.576 2.394 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC12CCSCC2 ZINC000448851985 560202833 /nfs/dbraw/zinc/20/28/33/560202833.db2.gz GVCAXLYXUBVNAS-IAGOWNOFSA-N 1 3 353.576 2.394 20 0 FEADHO CNC(=O)CN1CCC(NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449079131 560215144 /nfs/dbraw/zinc/21/51/44/560215144.db2.gz XCDFACAKLAETPT-UHFFFAOYSA-N 1 3 366.594 2.466 20 0 FEADHO CCNC(=O)N1CC[C@@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449181238 560219195 /nfs/dbraw/zinc/21/91/95/560219195.db2.gz FZGZGAUPBLHLMC-YLJYHZDGSA-N 1 3 358.530 2.475 20 0 FEADHO CN(c1ccccc1CN1CC[C@](O)(C(F)F)C1)C1CC[NH+](C)CC1 ZINC000449467143 560231290 /nfs/dbraw/zinc/23/12/90/560231290.db2.gz IOIARRMILUGADT-LJQANCHMSA-N 1 3 353.457 2.419 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@](CO)(COC)C2)CC1 ZINC000449702418 560237375 /nfs/dbraw/zinc/23/73/75/560237375.db2.gz UMDSKLYQILZTCZ-OAQYLSRUSA-N 1 3 361.530 2.049 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@](CO)(COC)C2)CC1 ZINC000449702418 560237376 /nfs/dbraw/zinc/23/73/76/560237376.db2.gz UMDSKLYQILZTCZ-OAQYLSRUSA-N 1 3 361.530 2.049 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CCNC(=O)CC3)CC2)C[C@H](C)O1 ZINC000450476137 560263464 /nfs/dbraw/zinc/26/34/64/560263464.db2.gz NEUSFPUITNPHDQ-ZIFCJYIRSA-N 1 3 351.535 2.114 20 0 FEADHO CN(CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)Cc1ccccc1 ZINC000450628774 560268480 /nfs/dbraw/zinc/26/84/80/560268480.db2.gz WPMCZIZSXPFTPY-CBQGHPETSA-N 1 3 356.558 2.361 20 0 FEADHO CN(CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)Cc1ccccc1 ZINC000450628774 560268481 /nfs/dbraw/zinc/26/84/81/560268481.db2.gz WPMCZIZSXPFTPY-CBQGHPETSA-N 1 3 356.558 2.361 20 0 FEADHO CC(C)N1CC[C@@H](N(C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000452123746 560352612 /nfs/dbraw/zinc/35/26/12/560352612.db2.gz VUZAWLUYOZGQQG-OAQYLSRUSA-N 1 3 372.557 2.313 20 0 FEADHO O[C@H](C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1)CN1CCCC1 ZINC000453090643 560383057 /nfs/dbraw/zinc/38/30/57/560383057.db2.gz KPSXTIAFHKNRMZ-BHIYHBOVSA-N 1 3 352.906 2.476 20 0 FEADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CCN4C[C@H]5CC[C@@H](C4)O5)[C@@H]3C2)cc1 ZINC000453360885 560385894 /nfs/dbraw/zinc/38/58/94/560385894.db2.gz VAHSOFDVAJWGDF-VNXMGFANSA-N 1 3 355.526 2.350 20 0 FEADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCCN4C[C@H]5CC[C@@H](C4)O5)[C@@H]3C2)cc1 ZINC000453360885 560385895 /nfs/dbraw/zinc/38/58/95/560385895.db2.gz VAHSOFDVAJWGDF-VNXMGFANSA-N 1 3 355.526 2.350 20 0 FEADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCCN4C[C@H]5CC[C@@H](C4)O5)[C@@H]3C2)cc1 ZINC000453360885 560385896 /nfs/dbraw/zinc/38/58/96/560385896.db2.gz VAHSOFDVAJWGDF-VNXMGFANSA-N 1 3 355.526 2.350 20 0 FEADHO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)N(C)C ZINC000453577828 560389434 /nfs/dbraw/zinc/38/94/34/560389434.db2.gz XIENEVKEMHIQHP-PKOBYXMFSA-N 1 3 374.529 2.267 20 0 FEADHO C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000453588406 560389849 /nfs/dbraw/zinc/38/98/49/560389849.db2.gz DGIGEMQALDDNQN-HNAYVOBHSA-N 1 3 372.513 2.022 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000455653395 560490584 /nfs/dbraw/zinc/49/05/84/560490584.db2.gz AYFNHBPHYDVNQV-UHFFFAOYSA-N 1 3 350.511 2.222 20 0 FEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccnn1CCN(C)C ZINC000455652233 560490671 /nfs/dbraw/zinc/49/06/71/560490671.db2.gz YQINPQPTSBLYJV-INIZCTEOSA-N 1 3 350.511 2.077 20 0 FEADHO CC1CCN(C[C@@H](O)CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455912401 560499962 /nfs/dbraw/zinc/49/99/62/560499962.db2.gz JLFWLTUQCWVRNV-AZUAARDMSA-N 1 3 374.529 2.450 20 0 FEADHO C[N@@H+]1CCC[C@H](CCNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000458159375 560606040 /nfs/dbraw/zinc/60/60/40/560606040.db2.gz FGBYCDIZTWCXJB-HXUWFJFHSA-N 1 3 372.557 2.437 20 0 FEADHO C[N@H+]1CCC[C@H](CCNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000458159375 560606041 /nfs/dbraw/zinc/60/60/41/560606041.db2.gz FGBYCDIZTWCXJB-HXUWFJFHSA-N 1 3 372.557 2.437 20 0 FEADHO CN(C)C1(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)Cc2ccccc2C1 ZINC000458413668 560621183 /nfs/dbraw/zinc/62/11/83/560621183.db2.gz BYGKQIMYOZXWDF-OAQYLSRUSA-N 1 3 370.541 2.213 20 0 FEADHO CN(C)C1(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)Cc2ccccc2C1 ZINC000458413668 560621185 /nfs/dbraw/zinc/62/11/85/560621185.db2.gz BYGKQIMYOZXWDF-OAQYLSRUSA-N 1 3 370.541 2.213 20 0 FEADHO CCCc1ncc(CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)o1 ZINC000459057868 560664466 /nfs/dbraw/zinc/66/44/66/560664466.db2.gz YWLPKKLFPVDHIU-MRXNPFEDSA-N 1 3 365.522 2.185 20 0 FEADHO CCCc1ncc(CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)o1 ZINC000459057868 560664467 /nfs/dbraw/zinc/66/44/67/560664467.db2.gz YWLPKKLFPVDHIU-MRXNPFEDSA-N 1 3 365.522 2.185 20 0 FEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000461979637 560790560 /nfs/dbraw/zinc/79/05/60/560790560.db2.gz AHIDIZAQCLCZFY-WOJBJXKFSA-N 1 3 372.557 2.435 20 0 FEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000461979637 560790561 /nfs/dbraw/zinc/79/05/61/560790561.db2.gz AHIDIZAQCLCZFY-WOJBJXKFSA-N 1 3 372.557 2.435 20 0 FEADHO C[NH+](C)C[C@H]1CCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000464919501 560854899 /nfs/dbraw/zinc/85/48/99/560854899.db2.gz AESSCWMQOXUKTP-HXUWFJFHSA-N 1 3 358.530 2.141 20 0 FEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000466020126 560878121 /nfs/dbraw/zinc/87/81/21/560878121.db2.gz VFULWEUXSGMESH-SFHVURJKSA-N 1 3 372.557 2.459 20 0 FEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000466020126 560878122 /nfs/dbraw/zinc/87/81/22/560878122.db2.gz VFULWEUXSGMESH-SFHVURJKSA-N 1 3 372.557 2.459 20 0 FEADHO [NH3+]CCN(Cc1ccccc1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000467697896 560914993 /nfs/dbraw/zinc/91/49/93/560914993.db2.gz UFUWNEBSZXPGHY-UHFFFAOYSA-N 1 3 366.509 2.186 20 0 FEADHO O=C(NCC1(N2CCCCC2)CCCCC1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467710320 560915424 /nfs/dbraw/zinc/91/54/24/560915424.db2.gz GQZVCVBGTLNDNX-AYHJJNSGSA-N 1 3 361.530 2.106 20 0 FEADHO CN(C)CCN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCCC1 ZINC000468287785 560926283 /nfs/dbraw/zinc/92/62/83/560926283.db2.gz KMCCPGASNDZHKF-UHFFFAOYSA-N 1 3 366.550 2.147 20 0 FEADHO CCCCOc1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1OC ZINC000470012607 560971999 /nfs/dbraw/zinc/97/19/99/560971999.db2.gz RGMQDRWJZFBWCM-QGZVFWFLSA-N 1 3 363.502 2.161 20 0 FEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)C(F)(F)F ZINC000470445261 560982207 /nfs/dbraw/zinc/98/22/07/560982207.db2.gz UJDJEJPVORNXEV-KBPBESRZSA-N 1 3 352.445 2.385 20 0 FEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)C(F)(F)F ZINC000470445261 560982208 /nfs/dbraw/zinc/98/22/08/560982208.db2.gz UJDJEJPVORNXEV-KBPBESRZSA-N 1 3 352.445 2.385 20 0 FEADHO CC(C)(C)NC(=O)CN1CCC(C[NH2+]Cc2cc(O)cc(F)c2)CC1 ZINC000472051752 561016759 /nfs/dbraw/zinc/01/67/59/561016759.db2.gz AHWDAOXLGSPYFF-UHFFFAOYSA-N 1 3 351.466 2.248 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000472958710 561038702 /nfs/dbraw/zinc/03/87/02/561038702.db2.gz HPYNQKPEPHGKLG-GUDVDZBRSA-N 1 3 368.566 2.392 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000472958708 561038758 /nfs/dbraw/zinc/03/87/58/561038758.db2.gz HPYNQKPEPHGKLG-CEXWTWQISA-N 1 3 368.566 2.392 20 0 FEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000472987458 561039530 /nfs/dbraw/zinc/03/95/30/561039530.db2.gz YEVMWBBKQBJBNV-RTBURBONSA-N 1 3 368.566 2.393 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CO)CCC(C)(C)C)CC2)CC1 ZINC000474250462 561069461 /nfs/dbraw/zinc/06/94/61/561069461.db2.gz ONKKMXFIMMFRIE-KRWDZBQOSA-N 1 3 368.566 2.031 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)N2CCCC2)cc1 ZINC000529280415 562367019 /nfs/dbraw/zinc/36/70/19/562367019.db2.gz CXGZRNZFYRKICZ-MOPGFXCFSA-N 1 3 372.513 2.416 20 0 FEADHO CC(C)(CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000529281070 562367112 /nfs/dbraw/zinc/36/71/12/562367112.db2.gz FGAGUEPBJLFWTM-SFHVURJKSA-N 1 3 366.550 2.051 20 0 FEADHO C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1)N(C)C ZINC000529509718 562376053 /nfs/dbraw/zinc/37/60/53/562376053.db2.gz JKSUJGOZTITEOR-DZFGPLHGSA-N 1 3 366.509 2.364 20 0 FEADHO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1)N(C)C ZINC000529509718 562376054 /nfs/dbraw/zinc/37/60/54/562376054.db2.gz JKSUJGOZTITEOR-DZFGPLHGSA-N 1 3 366.509 2.364 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238125 562403441 /nfs/dbraw/zinc/40/34/41/562403441.db2.gz JZJMZALWDKNKCP-BHIYHBOVSA-N 1 3 351.535 2.257 20 0 FEADHO O=C(N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531301175 562441403 /nfs/dbraw/zinc/44/14/03/562441403.db2.gz IMJITJOIGQWAST-IRLDBZIGSA-N 1 3 371.525 2.100 20 0 FEADHO CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)CC1 ZINC000531531499 562448772 /nfs/dbraw/zinc/44/87/72/562448772.db2.gz OJGJATDMFPKVLH-DSKINZAPSA-N 1 3 370.541 2.318 20 0 FEADHO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000532674183 562485311 /nfs/dbraw/zinc/48/53/11/562485311.db2.gz RHSGWXOAGKMXRH-INIZCTEOSA-N 1 3 362.518 2.332 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000533027649 562496165 /nfs/dbraw/zinc/49/61/65/562496165.db2.gz OOWHFRIAJYLDGN-CRAIPNDOSA-N 1 3 357.502 2.143 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000533027649 562496166 /nfs/dbraw/zinc/49/61/66/562496166.db2.gz OOWHFRIAJYLDGN-CRAIPNDOSA-N 1 3 357.502 2.143 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000533027649 562496167 /nfs/dbraw/zinc/49/61/67/562496167.db2.gz OOWHFRIAJYLDGN-CRAIPNDOSA-N 1 3 357.502 2.143 20 0 FEADHO Cc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(Br)c1 ZINC000533676350 562515911 /nfs/dbraw/zinc/51/59/11/562515911.db2.gz HXKMKHKMWAAXHX-UHFFFAOYSA-N 1 3 356.308 2.323 20 0 FEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000533812096 562518844 /nfs/dbraw/zinc/51/88/44/562518844.db2.gz NUFBRSLEYCVVAM-QFBILLFUSA-N 1 3 353.470 2.050 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]([C@H](C)O)C1 ZINC000534845141 562543641 /nfs/dbraw/zinc/54/36/41/562543641.db2.gz UKDJTEFIFZEEFS-HBFSDRIKSA-N 1 3 373.541 2.249 20 0 FEADHO CCN(CC)Cc1ccc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000602197240 567950343 /nfs/dbraw/zinc/95/03/43/567950343.db2.gz YUXBQGIRZLHQGH-MRXNPFEDSA-N 1 3 362.518 2.020 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C)c(C(=O)OC)[nH]2)[C@H](C)C1 ZINC000602546927 567990253 /nfs/dbraw/zinc/99/02/53/567990253.db2.gz VBRPHVKARXKAFV-NVXWUHKLSA-N 1 3 351.491 2.336 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810465922 674545717 /nfs/dbraw/zinc/54/57/17/674545717.db2.gz BSQXUOHVFJAANI-LPHOPBHVSA-N 1 3 357.514 2.158 20 0 FEADHO CC[C@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C[C@H](C)O1 ZINC000563373842 674878862 /nfs/dbraw/zinc/87/88/62/674878862.db2.gz LJOQSOHPEMQVTI-LPHOPBHVSA-N 1 3 351.535 2.209 20 0 FEADHO Cc1cccc(C)c1OC[C@@H](O)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000563618158 674918231 /nfs/dbraw/zinc/91/82/31/674918231.db2.gz ODRXWNASZYZTOO-MOPGFXCFSA-N 1 3 350.503 2.134 20 0 FEADHO Cc1cccc(C)c1OC[C@@H](O)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000563618158 674918232 /nfs/dbraw/zinc/91/82/32/674918232.db2.gz ODRXWNASZYZTOO-MOPGFXCFSA-N 1 3 350.503 2.134 20 0 FEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000564528403 675031886 /nfs/dbraw/zinc/03/18/86/675031886.db2.gz SXJXINDZHUVZAY-MSOLQXFVSA-N 1 3 350.551 2.480 20 0 FEADHO CCCCCCNC(=O)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000817288010 675117807 /nfs/dbraw/zinc/11/78/07/675117807.db2.gz SESCCRZPDNGUIR-UHFFFAOYSA-N 1 3 352.567 2.175 20 0 FEADHO CCCCCCNC(=O)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000817288010 675117811 /nfs/dbraw/zinc/11/78/11/675117811.db2.gz SESCCRZPDNGUIR-UHFFFAOYSA-N 1 3 352.567 2.175 20 0 FEADHO C[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)CCCN(C)CC[NH+](C)C ZINC000570882076 670781774 /nfs/dbraw/zinc/78/17/74/670781774.db2.gz JQYZKJCOQPSCBJ-AWEZNQCLSA-N 1 3 356.461 2.107 20 0 FEADHO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)COc1ccccc1Cl ZINC000565712329 675145508 /nfs/dbraw/zinc/14/55/08/675145508.db2.gz PFOQJJUBWRYMQF-RDJZCZTQSA-N 1 3 368.905 2.170 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000572944254 671062787 /nfs/dbraw/zinc/06/27/87/671062787.db2.gz JUWCFXJKRCUMIF-DFHBCGBQSA-N 1 3 364.515 2.081 20 0 FEADHO O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000576873105 671400770 /nfs/dbraw/zinc/40/07/70/671400770.db2.gz PTLYCVZBLAOCRK-GOEBONIOSA-N 1 3 355.404 2.151 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC(CC)(CC)CCO)CC2)CC1 ZINC000580570456 671819100 /nfs/dbraw/zinc/81/91/00/671819100.db2.gz ZGYDWXLPSWBGKG-UHFFFAOYSA-N 1 3 353.551 2.240 20 0 FEADHO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000581671875 671923799 /nfs/dbraw/zinc/92/37/99/671923799.db2.gz MZSIWWSGLKVFRX-AWEZNQCLSA-N 1 3 359.495 2.173 20 0 FEADHO [NH3+]C[C@H](NC(=O)NCC1(N2CCSCC2)CCCC1)C1CCCC1 ZINC000581932807 671951133 /nfs/dbraw/zinc/95/11/33/671951133.db2.gz IPGVKPUNTAEMFW-INIZCTEOSA-N 1 3 354.564 2.165 20 0 FEADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000584528434 672196876 /nfs/dbraw/zinc/19/68/76/672196876.db2.gz VLXWOZREYMUKGD-QAETUUGQSA-N 1 3 354.539 2.033 20 0 FEADHO CS(=O)(=O)CC1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000584714662 672208424 /nfs/dbraw/zinc/20/84/24/672208424.db2.gz XGZVZIXMJDBCKT-LPHOPBHVSA-N 1 3 364.511 2.047 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000164014588 672311722 /nfs/dbraw/zinc/31/17/22/672311722.db2.gz DHCBRXNLVLKTSU-WBVHZDCISA-N 1 3 355.523 2.332 20 0 FEADHO CS(=O)(=O)C1(CNCc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000684419220 672931857 /nfs/dbraw/zinc/93/18/57/672931857.db2.gz DJLZFEGGUBKFHK-UHFFFAOYSA-N 1 3 366.527 2.218 20 0 FEADHO COC(=O)CCCN1CCC([NH2+][C@H]2CCN(CC3CCCC3)C2)CC1 ZINC000462777757 673282485 /nfs/dbraw/zinc/28/24/85/673282485.db2.gz MKWHTISKIUBTJK-IBGZPJMESA-N 1 3 351.535 2.258 20 0 FEADHO CCS(=O)(=O)N1CCC(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000544626786 673721902 /nfs/dbraw/zinc/72/19/02/673721902.db2.gz SVMUTEPKKDDDJW-UHFFFAOYSA-N 1 3 371.591 2.435 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548392183 673955354 /nfs/dbraw/zinc/95/53/54/673955354.db2.gz XCLWEZZILAAEGW-KRWDZBQOSA-N 1 3 351.535 2.353 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548392183 673955357 /nfs/dbraw/zinc/95/53/57/673955357.db2.gz XCLWEZZILAAEGW-KRWDZBQOSA-N 1 3 351.535 2.353 20 0 FEADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000819003243 675251629 /nfs/dbraw/zinc/25/16/29/675251629.db2.gz CAFOPPRDGJAWIX-BLLLJJGKSA-N 1 3 374.312 2.204 20 0 FEADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819043675 675255164 /nfs/dbraw/zinc/25/51/64/675255164.db2.gz TZPYWNIGWRHGQJ-KRWDZBQOSA-N 1 3 371.884 2.045 20 0 FEADHO CCOc1cc(CN[C@H](C)C[C@@H](C)[NH3+])ccc1O[C@@H](C)C(=O)N(C)C ZINC000567501773 675298587 /nfs/dbraw/zinc/29/85/87/675298587.db2.gz GVUAHPXWOQXNKR-KFWWJZLASA-N 1 3 351.491 2.156 20 0 FEADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)Cc1ccc(F)cc1 ZINC000567687374 675312562 /nfs/dbraw/zinc/31/25/62/675312562.db2.gz CVYQVYJIBFQDCL-UFYCRDLUSA-N 1 3 350.478 2.087 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](OC)C(C)(C)C)CC2)CC1 ZINC000568201147 675358115 /nfs/dbraw/zinc/35/81/15/675358115.db2.gz IPYCYUSKESVSFY-SFHVURJKSA-N 1 3 353.551 2.360 20 0 FEADHO COc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Cl)n1 ZINC000821879141 675458103 /nfs/dbraw/zinc/45/81/03/675458103.db2.gz NGUNWBDDWZKJPM-LBPRGKRZSA-N 1 3 357.886 2.137 20 0 FEADHO COc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Cl)n1 ZINC000821879141 675458104 /nfs/dbraw/zinc/45/81/04/675458104.db2.gz NGUNWBDDWZKJPM-LBPRGKRZSA-N 1 3 357.886 2.137 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Br)nc1 ZINC000821958406 675461110 /nfs/dbraw/zinc/46/11/10/675461110.db2.gz OOTXORBQBKTTJF-LBPRGKRZSA-N 1 3 372.311 2.238 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Br)nc1 ZINC000821958406 675461111 /nfs/dbraw/zinc/46/11/11/675461111.db2.gz OOTXORBQBKTTJF-LBPRGKRZSA-N 1 3 372.311 2.238 20 0 FEADHO CO[C@@H](C)c1nc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000617505606 676288808 /nfs/dbraw/zinc/28/88/08/676288808.db2.gz JSDJAQNZPFSRJO-JSGCOSHPSA-N 1 3 356.536 2.161 20 0 FEADHO CO[C@@H](C)c1nc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000617505606 676288811 /nfs/dbraw/zinc/28/88/11/676288811.db2.gz JSDJAQNZPFSRJO-JSGCOSHPSA-N 1 3 356.536 2.161 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000617505516 676288955 /nfs/dbraw/zinc/28/89/55/676288955.db2.gz FYFBFDWBSGWPJD-IMJJTQAJSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000617505516 676288956 /nfs/dbraw/zinc/28/89/56/676288956.db2.gz FYFBFDWBSGWPJD-IMJJTQAJSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1coc(-c2cccs2)n1 ZINC000617505897 676289327 /nfs/dbraw/zinc/28/93/27/676289327.db2.gz URVNPSLUPCIWEG-AWEZNQCLSA-N 1 3 364.515 2.334 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1coc(-c2cccs2)n1 ZINC000617505897 676289330 /nfs/dbraw/zinc/28/93/30/676289330.db2.gz URVNPSLUPCIWEG-AWEZNQCLSA-N 1 3 364.515 2.334 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cc(Cl)cc2c1OCC2 ZINC000617507400 676289765 /nfs/dbraw/zinc/28/97/65/676289765.db2.gz VKQWHIGBVPYVPN-AWEZNQCLSA-N 1 3 367.921 2.206 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cc(Cl)cc2c1OCC2 ZINC000617507400 676289767 /nfs/dbraw/zinc/28/97/67/676289767.db2.gz VKQWHIGBVPYVPN-AWEZNQCLSA-N 1 3 367.921 2.206 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(Cl)o3)CC2)CC1 ZINC000622945967 676512614 /nfs/dbraw/zinc/51/26/14/676512614.db2.gz BCVHPWAXZNIMIO-UHFFFAOYSA-N 1 3 354.882 2.291 20 0 FEADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H](O)CC3(O)CCC3)C2)s1 ZINC000625402122 676645659 /nfs/dbraw/zinc/64/56/59/676645659.db2.gz FWXUCADOCDVKLW-SJORKVTESA-N 1 3 352.544 2.476 20 0 FEADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H](O)CC3(O)CCC3)C2)s1 ZINC000625402122 676645661 /nfs/dbraw/zinc/64/56/61/676645661.db2.gz FWXUCADOCDVKLW-SJORKVTESA-N 1 3 352.544 2.476 20 0 FEADHO O[C@@H](C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)CN1CCCC1 ZINC000629559336 676859305 /nfs/dbraw/zinc/85/93/05/676859305.db2.gz LDCMBZINHTVRIW-RDJZCZTQSA-N 1 3 368.319 2.074 20 0 FEADHO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000632658825 677008592 /nfs/dbraw/zinc/00/85/92/677008592.db2.gz IVFNKUNTKJUPKI-UHFFFAOYSA-N 1 3 353.532 2.243 20 0 FEADHO C[NH+]1CCN(c2ccnc(NC(=O)CCSc3ccccn3)c2)CC1 ZINC000634195464 677072729 /nfs/dbraw/zinc/07/27/29/677072729.db2.gz APVOVBAQHYDRGE-UHFFFAOYSA-N 1 3 357.483 2.349 20 0 FEADHO CC[NH2+][C@@H](C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000638119960 677140398 /nfs/dbraw/zinc/14/03/98/677140398.db2.gz BRUGKVVDGITGCO-AWEZNQCLSA-N 1 3 353.894 2.297 20 0 FEADHO NS(=O)(=O)c1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000638132819 677140777 /nfs/dbraw/zinc/14/07/77/677140777.db2.gz OYEHSZSXRROSLN-UHFFFAOYSA-N 1 3 365.543 2.422 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc(CCOC)s3)CC2)CC1 ZINC000639276786 677157580 /nfs/dbraw/zinc/15/75/80/677157580.db2.gz OVEOWERMMBYBKF-UHFFFAOYSA-N 1 3 366.575 2.324 20 0 FEADHO CCN1CCC([N@H+]2CCCN(Cc3cnc(CCOC)s3)CC2)CC1 ZINC000639276786 677157581 /nfs/dbraw/zinc/15/75/81/677157581.db2.gz OVEOWERMMBYBKF-UHFFFAOYSA-N 1 3 366.575 2.324 20 0 FEADHO Cc1ccc(Cl)c(OC[C@@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000644632309 677247060 /nfs/dbraw/zinc/24/70/60/677247060.db2.gz WVNWFNJRLIJSJO-IRXDYDNUSA-N 1 3 370.921 2.479 20 0 FEADHO Cc1ccc(Cl)c(OC[C@@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000644632309 677247061 /nfs/dbraw/zinc/24/70/61/677247061.db2.gz WVNWFNJRLIJSJO-IRXDYDNUSA-N 1 3 370.921 2.479 20 0 FEADHO CN1CC[NH+](CCCCNCc2c(F)cncc2Br)CC1 ZINC000657308462 677993857 /nfs/dbraw/zinc/99/38/57/677993857.db2.gz UAUBQBTTYFUZBA-UHFFFAOYSA-N 1 3 359.287 2.100 20 0 FEADHO CN1CCC([N@@H+]2CC[C@H](NCc3c(F)cncc3Br)C2)CC1 ZINC000657358386 677996949 /nfs/dbraw/zinc/99/69/49/677996949.db2.gz CNVCGWNZSJVDHA-LBPRGKRZSA-N 1 3 371.298 2.241 20 0 FEADHO CN1CCC([N@H+]2CC[C@H](NCc3c(F)cncc3Br)C2)CC1 ZINC000657358386 677996952 /nfs/dbraw/zinc/99/69/52/677996952.db2.gz CNVCGWNZSJVDHA-LBPRGKRZSA-N 1 3 371.298 2.241 20 0 FEADHO C[NH+](C)CCOc1ccc(CNCC2(S(C)(=O)=O)CCCCC2)cc1 ZINC000657653146 678022232 /nfs/dbraw/zinc/02/22/32/678022232.db2.gz KFZDPFGZINPVDF-UHFFFAOYSA-N 1 3 368.543 2.464 20 0 FEADHO C[C@@H]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@@H]1CCC[NH3+] ZINC000662895485 678670953 /nfs/dbraw/zinc/67/09/53/678670953.db2.gz ZLKWIIZKJVURRE-QZTJIDSGSA-N 1 3 351.535 2.388 20 0 FEADHO Cc1cnc([C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2CC2)s1 ZINC000664225279 678846272 /nfs/dbraw/zinc/84/62/72/678846272.db2.gz WGBRKOAIYJCBMW-XJKSGUPXSA-N 1 3 367.563 2.474 20 0 FEADHO Cc1cnc([C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2CC2)s1 ZINC000664225279 678846275 /nfs/dbraw/zinc/84/62/75/678846275.db2.gz WGBRKOAIYJCBMW-XJKSGUPXSA-N 1 3 367.563 2.474 20 0 FEADHO CC(C)COC1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665639301 678974522 /nfs/dbraw/zinc/97/45/22/678974522.db2.gz UKDQXXOWHKAGJE-KRWDZBQOSA-N 1 3 356.555 2.105 20 0 FEADHO CC(C)COC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665639301 678974523 /nfs/dbraw/zinc/97/45/23/678974523.db2.gz UKDQXXOWHKAGJE-KRWDZBQOSA-N 1 3 356.555 2.105 20 0 FEADHO O=S(=O)(CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000840881866 680848950 /nfs/dbraw/zinc/84/89/50/680848950.db2.gz FZWGJYMNKVIZGM-DFQSSKMNSA-N 1 3 362.539 2.454 20 0 FEADHO O=S(=O)(CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000840881866 680848951 /nfs/dbraw/zinc/84/89/51/680848951.db2.gz FZWGJYMNKVIZGM-DFQSSKMNSA-N 1 3 362.539 2.454 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3c(C)nsc3C)C2)CC[N@@H+]1C ZINC001020174861 680102635 /nfs/dbraw/zinc/10/26/35/680102635.db2.gz VBZSXXXPEWLZLU-QBYUYEEZSA-N 1 3 350.532 2.227 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3c(C)nsc3C)C2)CC[N@H+]1C ZINC001020174861 680102639 /nfs/dbraw/zinc/10/26/39/680102639.db2.gz VBZSXXXPEWLZLU-QBYUYEEZSA-N 1 3 350.532 2.227 20 0 FEADHO Cc1nc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001023993365 680276887 /nfs/dbraw/zinc/27/68/87/680276887.db2.gz DXSZYAHBSPGVEI-XOKHGSTOSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1nc(CNC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001023993365 680276892 /nfs/dbraw/zinc/27/68/92/680276892.db2.gz DXSZYAHBSPGVEI-XOKHGSTOSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1cc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)sn1 ZINC000995832765 680305945 /nfs/dbraw/zinc/30/59/45/680305945.db2.gz OSNONUGEXOJTEC-FVQBIDKESA-N 1 3 350.532 2.118 20 0 FEADHO Cc1cc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)sn1 ZINC000995832765 680305947 /nfs/dbraw/zinc/30/59/47/680305947.db2.gz OSNONUGEXOJTEC-FVQBIDKESA-N 1 3 350.532 2.118 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNCc3ncc(C)s3)C2)CC[N@@H+]1C ZINC000983713770 680323325 /nfs/dbraw/zinc/32/33/25/680323325.db2.gz MEUCGKMGZBPYKK-YHUYYLMFSA-N 1 3 350.532 2.166 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNCc3ncc(C)s3)C2)CC[N@H+]1C ZINC000983713770 680323331 /nfs/dbraw/zinc/32/33/31/680323331.db2.gz MEUCGKMGZBPYKK-YHUYYLMFSA-N 1 3 350.532 2.166 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3cnc(C)s3)C2)CC[N@@H+]1C ZINC001028551487 680375539 /nfs/dbraw/zinc/37/55/39/680375539.db2.gz PCMAVGISJXSRGM-HYVNUMGLSA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3cnc(C)s3)C2)CC[N@H+]1C ZINC001028551487 680375545 /nfs/dbraw/zinc/37/55/45/680375545.db2.gz PCMAVGISJXSRGM-HYVNUMGLSA-N 1 3 350.532 2.120 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2ccnc(Cl)c2)CC[N@@H+]1C ZINC001045043502 680619908 /nfs/dbraw/zinc/61/99/08/680619908.db2.gz GVCLGTVPHPNOAY-VNQPRFMTSA-N 1 3 350.894 2.156 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2ccnc(Cl)c2)CC[N@H+]1C ZINC001045043502 680619912 /nfs/dbraw/zinc/61/99/12/680619912.db2.gz GVCLGTVPHPNOAY-VNQPRFMTSA-N 1 3 350.894 2.156 20 0 FEADHO CCNc1nc(C)c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCN2CC)s1 ZINC000759238095 680636152 /nfs/dbraw/zinc/63/61/52/680636152.db2.gz UCWWDMQDPXLXOH-HNNXBMFYSA-N 1 3 367.563 2.371 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(Cl)n1 ZINC000841857529 680915026 /nfs/dbraw/zinc/91/50/26/680915026.db2.gz UMQOSRCGZIQDCN-IJEWVQPXSA-N 1 3 350.894 2.281 20 0 FEADHO CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CCC([NH3+])CC1 ZINC000843353992 680999372 /nfs/dbraw/zinc/99/93/72/680999372.db2.gz PIBOQJKGPKOGPB-UHFFFAOYSA-N 1 3 362.865 2.061 20 0 FEADHO CC[N@H+](C)C[C@H](O)CN[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC000846824346 681295055 /nfs/dbraw/zinc/29/50/55/681295055.db2.gz MKHCQFUWAYQDHY-GPMSIDNRSA-N 1 3 357.539 2.362 20 0 FEADHO CC[N@@H+](C)C[C@H](O)CN[C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC000846824346 681295060 /nfs/dbraw/zinc/29/50/60/681295060.db2.gz MKHCQFUWAYQDHY-GPMSIDNRSA-N 1 3 357.539 2.362 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@](C)(C1CC1)C(F)(F)F ZINC000933567409 681435265 /nfs/dbraw/zinc/43/52/65/681435265.db2.gz OUWHSRULOASHOS-SWLSCSKDSA-N 1 3 352.445 2.289 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@](C)(C1CC1)C(F)(F)F ZINC000933567409 681435269 /nfs/dbraw/zinc/43/52/69/681435269.db2.gz OUWHSRULOASHOS-SWLSCSKDSA-N 1 3 352.445 2.289 20 0 FEADHO [NH3+][C@H]1CCC[C@H](NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000848719781 681609030 /nfs/dbraw/zinc/60/90/30/681609030.db2.gz NXJKDDBLPSGSDH-RYUDHWBXSA-N 1 3 366.405 2.218 20 0 FEADHO S=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCN2CCC1CC2 ZINC000787198484 682440781 /nfs/dbraw/zinc/44/07/81/682440781.db2.gz KBWVJYJUGLPYOC-UHFFFAOYSA-N 1 3 358.555 2.306 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000789396404 682600759 /nfs/dbraw/zinc/60/07/59/682600759.db2.gz VBBAEISBUMHEHK-WMZOPIPTSA-N 1 3 364.559 2.246 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000789396404 682600761 /nfs/dbraw/zinc/60/07/61/682600761.db2.gz VBBAEISBUMHEHK-WMZOPIPTSA-N 1 3 364.559 2.246 20 0 FEADHO CN(C)S(=O)(=O)Cc1ccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925804084 683038547 /nfs/dbraw/zinc/03/85/47/683038547.db2.gz BYBCWIXHWQAYNV-DLBZAZTESA-N 1 3 353.532 2.074 20 0 FEADHO CC1(C)CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C[C@H]1[NH3+] ZINC000925998575 683061696 /nfs/dbraw/zinc/06/16/96/683061696.db2.gz TXCIYRHUPSWBFS-QGZVFWFLSA-N 1 3 362.543 2.479 20 0 FEADHO CCCC[N@H+](CC1CN(S(C)(=O)=O)C1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034135 683821778 /nfs/dbraw/zinc/82/17/78/683821778.db2.gz OPGQWQANKDJULF-UHFFFAOYSA-N 1 3 359.580 2.289 20 0 FEADHO CCCC[N@@H+](CC1CN(S(C)(=O)=O)C1)C1CC(C)(C)NC(C)(C)C1 ZINC000931034135 683821782 /nfs/dbraw/zinc/82/17/82/683821782.db2.gz OPGQWQANKDJULF-UHFFFAOYSA-N 1 3 359.580 2.289 20 0 FEADHO [NH3+]CC[C@@H]1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000923480123 684287424 /nfs/dbraw/zinc/28/74/24/684287424.db2.gz VTTOEWGAFOADTN-ABAIWWIYSA-N 1 3 352.276 2.373 20 0 FEADHO COc1ccc(Cl)cc1NC(=O)CCN1CCC(O)(C[NH+](C)C)CC1 ZINC000931486875 684291402 /nfs/dbraw/zinc/29/14/02/684291402.db2.gz YXUAHKZVNBUEKK-UHFFFAOYSA-N 1 3 369.893 2.066 20 0 FEADHO O=C1N[C@@H](CN2CCCCC2)C(=O)N1CCCCC[NH+]1CCCCC1 ZINC000924621680 684475044 /nfs/dbraw/zinc/47/50/44/684475044.db2.gz DNKSDFVOKHKZJV-KRWDZBQOSA-N 1 3 350.507 2.049 20 0 FEADHO CC(C)CC[NH+]1CCC(NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000924790377 684493123 /nfs/dbraw/zinc/49/31/23/684493123.db2.gz ZVFQAPDIDRXJSZ-IBGZPJMESA-N 1 3 355.592 2.294 20 0 FEADHO CC(C)CCN1CCC([NH2+]C[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000924790377 684493124 /nfs/dbraw/zinc/49/31/24/684493124.db2.gz ZVFQAPDIDRXJSZ-IBGZPJMESA-N 1 3 355.592 2.294 20 0 FEADHO CC(C)(C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)[C@H]1COCC12OCCO2 ZINC000925684737 684578420 /nfs/dbraw/zinc/57/84/20/684578420.db2.gz CRYLMYWHYSQLQG-RCCFBDPRSA-N 1 3 352.519 2.160 20 0 FEADHO CN(CCCCCC[NH3+])CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000872155836 684923815 /nfs/dbraw/zinc/92/38/15/684923815.db2.gz XSZRDCSIWLAICF-SFHVURJKSA-N 1 3 351.466 2.177 20 0 FEADHO O[C@]1(CNCCOC(F)(F)C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000872244531 684931248 /nfs/dbraw/zinc/93/12/48/684931248.db2.gz MZHMMIHTUMHGHI-AWEZNQCLSA-N 1 3 368.346 2.385 20 0 FEADHO O[C@]1(CNCCOC(F)(F)C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000872244531 684931250 /nfs/dbraw/zinc/93/12/50/684931250.db2.gz MZHMMIHTUMHGHI-AWEZNQCLSA-N 1 3 368.346 2.385 20 0 FEADHO C[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000873291564 685105764 /nfs/dbraw/zinc/10/57/64/685105764.db2.gz KIRPFJPLVQTFSC-DZGCQCFKSA-N 1 3 370.490 2.039 20 0 FEADHO O=C(NCCC[NH+]1CCCC1)C1CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000877521900 686400824 /nfs/dbraw/zinc/40/08/24/686400824.db2.gz FEBMIRFYKCTWRY-OAHLLOKOSA-N 1 3 362.345 2.494 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cnccc1C(F)(F)F ZINC000880963095 687103758 /nfs/dbraw/zinc/10/37/58/687103758.db2.gz WCMZXDGRTMZXQT-LBPRGKRZSA-N 1 3 361.412 2.494 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cnccc1C(F)(F)F ZINC000880963095 687103759 /nfs/dbraw/zinc/10/37/59/687103759.db2.gz WCMZXDGRTMZXQT-LBPRGKRZSA-N 1 3 361.412 2.494 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N(CC[NH3+])Cc2cccc(Cl)c2)CN1C1CC1 ZINC000891660066 689088960 /nfs/dbraw/zinc/08/89/60/689088960.db2.gz IKOYETJCSZUSHC-CJNGLKHVSA-N 1 3 350.894 2.436 20 0 FEADHO F[C@H]1CC2(CC[C@H]1N1CCC(OCC[NH+]3CCCC3)CC1)OCCO2 ZINC000892130665 689154461 /nfs/dbraw/zinc/15/44/61/689154461.db2.gz PQNIOFHYWDSTOE-ZWKOTPCHSA-N 1 3 356.482 2.197 20 0 FEADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000892609837 689217919 /nfs/dbraw/zinc/21/79/19/689217919.db2.gz BJEJCZZTWVTWRT-QZTJIDSGSA-N 1 3 352.450 2.350 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CNCC2CC[NH+](C)CC2)s1 ZINC000892706039 689232385 /nfs/dbraw/zinc/23/23/85/689232385.db2.gz WVHMVDZGXWLBML-UHFFFAOYSA-N 1 3 359.561 2.210 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)C1CCOCC1 ZINC000895666226 689751803 /nfs/dbraw/zinc/75/18/03/689751803.db2.gz KICPQJNCQCLAND-INIZCTEOSA-N 1 3 356.555 2.010 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)C1CCOCC1 ZINC000895666226 689751804 /nfs/dbraw/zinc/75/18/04/689751804.db2.gz KICPQJNCQCLAND-INIZCTEOSA-N 1 3 356.555 2.010 20 0 FEADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000896838071 689937237 /nfs/dbraw/zinc/93/72/37/689937237.db2.gz MXALMSZYVWRJLQ-PKOBYXMFSA-N 1 3 365.543 2.288 20 0 FEADHO CC(C)(C)N1CCC([NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1 ZINC000898366992 690167656 /nfs/dbraw/zinc/16/76/56/690167656.db2.gz JPULYIDZMHLISB-ZDUSSCGKSA-N 1 3 353.898 2.267 20 0 FEADHO FC(F)(F)[C@@H]1CCC[C@H](CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)O1 ZINC000903783782 690972028 /nfs/dbraw/zinc/97/20/28/690972028.db2.gz CXAVNNJAKZENJQ-TWMKSMIVSA-N 1 3 361.452 2.387 20 0 FEADHO CN(C)[S@](C)(=O)=NCC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000903870438 690982112 /nfs/dbraw/zinc/98/21/12/690982112.db2.gz HCPBLSJCHQSVCS-RUZDIDTESA-N 1 3 364.559 2.119 20 0 FEADHO Clc1ccc2ncc(CN3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)n2c1 ZINC000903980069 690991644 /nfs/dbraw/zinc/99/16/44/690991644.db2.gz FVPOUVFYIDEEND-CALCHBBNSA-N 1 3 359.905 2.388 20 0 FEADHO Clc1ccc2ncc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CCNCC3)n2c1 ZINC000903980069 690991645 /nfs/dbraw/zinc/99/16/45/690991645.db2.gz FVPOUVFYIDEEND-CALCHBBNSA-N 1 3 359.905 2.388 20 0 FEADHO Clc1ccc2ncc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CCNCC3)n2c1 ZINC000903980069 690991648 /nfs/dbraw/zinc/99/16/48/690991648.db2.gz FVPOUVFYIDEEND-CALCHBBNSA-N 1 3 359.905 2.388 20 0 FEADHO COc1cc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)cc(OC)c1OC ZINC000904388944 691024051 /nfs/dbraw/zinc/02/40/51/691024051.db2.gz FMFIFQAGWAKRDL-HNNXBMFYSA-N 1 3 350.459 2.042 20 0 FEADHO Cc1ccc(CN2CC[C@H](CN(C)S(=O)(=O)CCC[NH+](C)C)C2)s1 ZINC000907347526 691458793 /nfs/dbraw/zinc/45/87/93/691458793.db2.gz SJSQOWHVLKNKIK-MRXNPFEDSA-N 1 3 373.588 2.092 20 0 FEADHO CN(C)Cc1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164871538 721166953 /nfs/dbraw/zinc/16/69/53/721166953.db2.gz FGKCEAITIYOMNX-PMACEKPBSA-N 1 3 367.497 2.018 20 0 FEADHO CN(C)Cc1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164871538 721166960 /nfs/dbraw/zinc/16/69/60/721166960.db2.gz FGKCEAITIYOMNX-PMACEKPBSA-N 1 3 367.497 2.018 20 0 FEADHO CN(C)c1cc[nH+]c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982096 722115274 /nfs/dbraw/zinc/11/52/74/722115274.db2.gz VXWANBXMACZHSQ-ICSRJNTNSA-N 1 3 367.497 2.270 20 0 FEADHO Cc1cccc(C)c1OCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050802672 540415515 /nfs/dbraw/zinc/41/55/15/540415515.db2.gz RQBZGBYSRKMSEW-UHFFFAOYSA-N 1 3 359.514 2.357 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000050801548 540414187 /nfs/dbraw/zinc/41/41/87/540414187.db2.gz VRMXKQHZVTXWIP-UHFFFAOYSA-N 1 3 367.497 2.161 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3c[nH]c4ccccc34)CC2)CC1 ZINC000050802508 540415681 /nfs/dbraw/zinc/41/56/81/540415681.db2.gz UKXYVOSQMFRAMZ-UHFFFAOYSA-N 1 3 354.498 2.385 20 0 FEADHO CN1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000064754304 541217135 /nfs/dbraw/zinc/21/71/35/541217135.db2.gz PHGDCGRAEVNWKR-HZPDHXFCSA-N 1 3 350.532 2.354 20 0 FEADHO CN1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000064754304 541217139 /nfs/dbraw/zinc/21/71/39/541217139.db2.gz PHGDCGRAEVNWKR-HZPDHXFCSA-N 1 3 350.532 2.354 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CCCC3)C2)[C@@H](C)C1 ZINC000247393447 549327677 /nfs/dbraw/zinc/32/76/77/549327677.db2.gz ZXOXBEVZXFECKR-FHWLQOOXSA-N 1 3 366.550 2.003 20 0 FEADHO CC1CCN(C[C@@H](O)CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000067621025 541491817 /nfs/dbraw/zinc/49/18/17/541491817.db2.gz IDAISJQINKGJBQ-OALUTQOASA-N 1 3 368.566 2.033 20 0 FEADHO CC1CCN(C[C@@H](O)CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000067621025 541491822 /nfs/dbraw/zinc/49/18/22/541491822.db2.gz IDAISJQINKGJBQ-OALUTQOASA-N 1 3 368.566 2.033 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CCCC3)C2)[C@@H](C)C1 ZINC000247393447 549327682 /nfs/dbraw/zinc/32/76/82/549327682.db2.gz ZXOXBEVZXFECKR-FHWLQOOXSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000072815123 541872059 /nfs/dbraw/zinc/87/20/59/541872059.db2.gz JTGMELRXXKONBN-GOSISDBHSA-N 1 3 351.535 2.402 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000072815123 541872062 /nfs/dbraw/zinc/87/20/62/541872062.db2.gz JTGMELRXXKONBN-GOSISDBHSA-N 1 3 351.535 2.402 20 0 FEADHO CO[C@@H]1CCC[C@@H](C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000551132208 674125925 /nfs/dbraw/zinc/12/59/25/674125925.db2.gz HDQIDECEXJQXJH-QZTJIDSGSA-N 1 3 351.535 2.258 20 0 FEADHO C[NH+]1CCC(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000072983893 541903257 /nfs/dbraw/zinc/90/32/57/541903257.db2.gz FBPQKRNXYWSDOZ-UHFFFAOYSA-N 1 3 372.557 2.042 20 0 FEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073125502 541921608 /nfs/dbraw/zinc/92/16/08/541921608.db2.gz PMBMWNHHVULMQB-IBGZPJMESA-N 1 3 358.530 2.047 20 0 FEADHO CC[N@H+]1CCC[C@@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073125502 541921610 /nfs/dbraw/zinc/92/16/10/541921610.db2.gz PMBMWNHHVULMQB-IBGZPJMESA-N 1 3 358.530 2.047 20 0 FEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000073822221 542004346 /nfs/dbraw/zinc/00/43/46/542004346.db2.gz KBXCJJCZLVIKLZ-MSOLQXFVSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000073822221 542004350 /nfs/dbraw/zinc/00/43/50/542004350.db2.gz KBXCJJCZLVIKLZ-MSOLQXFVSA-N 1 3 368.566 2.249 20 0 FEADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000073880587 542010667 /nfs/dbraw/zinc/01/06/67/542010667.db2.gz DJNHUOVRZMFFQM-UHFFFAOYSA-N 1 3 363.546 2.498 20 0 FEADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000073880587 542010672 /nfs/dbraw/zinc/01/06/72/542010672.db2.gz DJNHUOVRZMFFQM-UHFFFAOYSA-N 1 3 363.546 2.498 20 0 FEADHO CCc1nc(CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cs1 ZINC000074137151 542042665 /nfs/dbraw/zinc/04/26/65/542042665.db2.gz CDAHQFRARQMARO-MRXNPFEDSA-N 1 3 367.563 2.263 20 0 FEADHO CCc1nc(CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cs1 ZINC000074137151 542042669 /nfs/dbraw/zinc/04/26/69/542042669.db2.gz CDAHQFRARQMARO-MRXNPFEDSA-N 1 3 367.563 2.263 20 0 FEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000074157529 542044851 /nfs/dbraw/zinc/04/48/51/542044851.db2.gz GIIVTGZOWJXLGV-HXUWFJFHSA-N 1 3 372.557 2.389 20 0 FEADHO C[C@H](C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1)N1CCCCCC1 ZINC000074539664 542097078 /nfs/dbraw/zinc/09/70/78/542097078.db2.gz ROBKLAKWKDZTML-QGZVFWFLSA-N 1 3 351.535 2.353 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CCN3CCCCC3)c2)[C@H](C)C1 ZINC000076487622 542284364 /nfs/dbraw/zinc/28/43/64/542284364.db2.gz XQMSMRXYTFMZCH-MJGOQNOKSA-N 1 3 361.534 2.171 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CCN3CCCCC3)c2)[C@H](C)C1 ZINC000076487622 542284366 /nfs/dbraw/zinc/28/43/66/542284366.db2.gz XQMSMRXYTFMZCH-MJGOQNOKSA-N 1 3 361.534 2.171 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000079210167 542506363 /nfs/dbraw/zinc/50/63/63/542506363.db2.gz DKNFQNFIYIDEBI-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000081338451 542649638 /nfs/dbraw/zinc/64/96/38/542649638.db2.gz YYGSYOUZIWJBPJ-IBGZPJMESA-N 1 3 363.546 2.498 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000090468741 542785659 /nfs/dbraw/zinc/78/56/59/542785659.db2.gz XULKXLFHEJABDG-APWZRJJASA-N 1 3 350.938 2.392 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000090468741 542785661 /nfs/dbraw/zinc/78/56/61/542785661.db2.gz XULKXLFHEJABDG-APWZRJJASA-N 1 3 350.938 2.392 20 0 FEADHO COc1ccccc1[C@@H]1C[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000102344495 543065323 /nfs/dbraw/zinc/06/53/23/543065323.db2.gz RBRJTFIYFMFHEU-VQTJNVASSA-N 1 3 371.525 2.474 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1csc(-c2cccs2)n1 ZINC000103212566 543097231 /nfs/dbraw/zinc/09/72/31/543097231.db2.gz QTZYWJFDLHOFJF-UHFFFAOYSA-N 1 3 366.556 2.366 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(F)ccc1Br ZINC000103210917 543097491 /nfs/dbraw/zinc/09/74/91/543097491.db2.gz HIPDNSALQHIGNV-UHFFFAOYSA-N 1 3 360.271 2.154 20 0 FEADHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)n1Cc1ccccn1 ZINC000104533208 543133857 /nfs/dbraw/zinc/13/38/57/543133857.db2.gz NVGCARSPDQMTFH-UHFFFAOYSA-N 1 3 371.529 2.114 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000104787477 543143731 /nfs/dbraw/zinc/14/37/31/543143731.db2.gz WVYABGJYOZMMNW-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000104787477 543143734 /nfs/dbraw/zinc/14/37/34/543143734.db2.gz WVYABGJYOZMMNW-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO COc1cccc([C@H]2C[C@@H]2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000106759613 543245591 /nfs/dbraw/zinc/24/55/91/543245591.db2.gz MVJBDAUPXISNHY-RTWAWAEBSA-N 1 3 371.525 2.474 20 0 FEADHO CN1CCC[C@@H](CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000108573986 543295475 /nfs/dbraw/zinc/29/54/75/543295475.db2.gz DZOGVXGPXGLMJQ-PMACEKPBSA-N 1 3 358.530 2.192 20 0 FEADHO CN1CCC[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000108573986 543295476 /nfs/dbraw/zinc/29/54/76/543295476.db2.gz DZOGVXGPXGLMJQ-PMACEKPBSA-N 1 3 358.530 2.192 20 0 FEADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCCN2CCOC)c1 ZINC000111845569 543419729 /nfs/dbraw/zinc/41/97/29/543419729.db2.gz CBXPESQXIHONBU-LJQANCHMSA-N 1 3 362.518 2.048 20 0 FEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCCN2CCOC)c1 ZINC000111845569 543419732 /nfs/dbraw/zinc/41/97/32/543419732.db2.gz CBXPESQXIHONBU-LJQANCHMSA-N 1 3 362.518 2.048 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC2CCN(C3CC3)CC2)[C@H](C)C1 ZINC000115703698 543582844 /nfs/dbraw/zinc/58/28/44/543582844.db2.gz MLRBZLGDYAQDKG-APWZRJJASA-N 1 3 366.550 2.049 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC2CCN(C3CC3)CC2)[C@H](C)C1 ZINC000115703698 543582847 /nfs/dbraw/zinc/58/28/47/543582847.db2.gz MLRBZLGDYAQDKG-APWZRJJASA-N 1 3 366.550 2.049 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000119911890 543673305 /nfs/dbraw/zinc/67/33/05/543673305.db2.gz KXKCGCCSCUWAIL-UHFFFAOYSA-N 1 3 362.396 2.384 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000120208739 543677183 /nfs/dbraw/zinc/67/71/83/543677183.db2.gz QDEAJXIMSZBFPH-UHFFFAOYSA-N 1 3 362.396 2.384 20 0 FEADHO C[C@H]1CCCN(CCNC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000125303440 543873849 /nfs/dbraw/zinc/87/38/49/543873849.db2.gz ZZXAFVVVHPKFJO-KRWDZBQOSA-N 1 3 362.518 2.158 20 0 FEADHO CN1CCCN(CCC[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000128304456 544045074 /nfs/dbraw/zinc/04/50/74/544045074.db2.gz GADOCJPZKXPHBJ-UHFFFAOYSA-N 1 3 358.574 2.311 20 0 FEADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000130113856 544139212 /nfs/dbraw/zinc/13/92/12/544139212.db2.gz KSQKXRLBNHAZDD-DOMZBBRYSA-N 1 3 354.292 2.251 20 0 FEADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000130113856 544139215 /nfs/dbraw/zinc/13/92/15/544139215.db2.gz KSQKXRLBNHAZDD-DOMZBBRYSA-N 1 3 354.292 2.251 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1N(C)C ZINC000131439698 544190339 /nfs/dbraw/zinc/19/03/39/544190339.db2.gz RLRKWBTWCJQSAB-UHFFFAOYSA-N 1 3 355.914 2.363 20 0 FEADHO CSCC[C@@H](C)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000152622553 544675832 /nfs/dbraw/zinc/67/58/32/544675832.db2.gz HEQDGCVDYHOWNZ-OAHLLOKOSA-N 1 3 356.580 2.328 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(N(C)C)n1 ZINC000152946870 544715114 /nfs/dbraw/zinc/71/51/14/544715114.db2.gz UTZAQOOSKXBXMD-MRXNPFEDSA-N 1 3 362.522 2.027 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(N(C)C)n1 ZINC000152946870 544715119 /nfs/dbraw/zinc/71/51/19/544715119.db2.gz UTZAQOOSKXBXMD-MRXNPFEDSA-N 1 3 362.522 2.027 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000154509251 544915015 /nfs/dbraw/zinc/91/50/15/544915015.db2.gz AXKQVTDJTSUHJJ-XDHUDOTRSA-N 1 3 351.560 2.492 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCOCC(C)C)CC2)CC1 ZINC000553255488 674248839 /nfs/dbraw/zinc/24/88/39/674248839.db2.gz GYUPMUGILYGSMZ-UHFFFAOYSA-N 1 3 353.551 2.362 20 0 FEADHO CCN1CCN(C(=O)[C@H](C)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000178912819 327615794 /nfs/dbraw/zinc/61/57/94/327615794.db2.gz IDXYBDROHGRKFW-IBGZPJMESA-N 1 3 364.578 2.127 20 0 FEADHO CN1CC[C@@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H]1c1ccccc1 ZINC000189699878 328162988 /nfs/dbraw/zinc/16/29/88/328162988.db2.gz WAVZOLWYBLNZRL-AEFFLSMTSA-N 1 3 356.474 2.012 20 0 FEADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000192785377 328339619 /nfs/dbraw/zinc/33/96/19/328339619.db2.gz HLHNRYCFAYBWKI-GOSISDBHSA-N 1 3 356.518 2.334 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC([NH2+]CC4CC4)CC3)cc2)CC1 ZINC000236860469 328496370 /nfs/dbraw/zinc/49/63/70/328496370.db2.gz KRIPUBKWJWWXCB-UHFFFAOYSA-N 1 3 370.541 2.433 20 0 FEADHO CC(C)C[C@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000081395524 325172610 /nfs/dbraw/zinc/17/26/10/325172610.db2.gz SJDQJCUITITLEF-HXUWFJFHSA-N 1 3 360.546 2.291 20 0 FEADHO COCc1nc2n(n1)C[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000090395211 325357318 /nfs/dbraw/zinc/35/73/18/325357318.db2.gz DGTXVBYEEFTUKC-DOTOQJQBSA-N 1 3 373.501 2.031 20 0 FEADHO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000090395211 325357320 /nfs/dbraw/zinc/35/73/20/325357320.db2.gz DGTXVBYEEFTUKC-DOTOQJQBSA-N 1 3 373.501 2.031 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)NCCC2CC[NH+](C)CC2)o1 ZINC000103321231 325514999 /nfs/dbraw/zinc/51/49/99/325514999.db2.gz QPWDSGGTYIPFIQ-UHFFFAOYSA-N 1 3 350.507 2.393 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000103511655 325523057 /nfs/dbraw/zinc/52/30/57/325523057.db2.gz PKZKZQBLMGSUMZ-UHFFFAOYSA-N 1 3 362.518 2.110 20 0 FEADHO CCC[NH+]1CCC(NC(=O)NCc2ccc(OCCN(C)C)cc2)CC1 ZINC000107329950 325624676 /nfs/dbraw/zinc/62/46/76/325624676.db2.gz ZPXNMUOHLPQEQE-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO CC(C)[NH2+]C1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)CC1 ZINC000111814184 325736529 /nfs/dbraw/zinc/73/65/29/325736529.db2.gz DLAWOXJRLOXPCH-UHFFFAOYSA-N 1 3 362.518 2.299 20 0 FEADHO CN(C)CCN(Cc1ccco1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119081800 326125259 /nfs/dbraw/zinc/12/52/59/326125259.db2.gz WHAZJSDSGNVION-UHFFFAOYSA-N 1 3 350.507 2.473 20 0 FEADHO CCOCCC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCC1 ZINC000119678999 326187116 /nfs/dbraw/zinc/18/71/16/326187116.db2.gz KQCSUXWTGDBAGF-UHFFFAOYSA-N 1 3 351.535 2.258 20 0 FEADHO CCC[N@H+](CC)CCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000120355468 326252275 /nfs/dbraw/zinc/25/22/75/326252275.db2.gz RZKIHSHMCQLXHP-UHFFFAOYSA-N 1 3 361.530 2.353 20 0 FEADHO CCC[N@@H+](CC)CCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000120355468 326252277 /nfs/dbraw/zinc/25/22/77/326252277.db2.gz RZKIHSHMCQLXHP-UHFFFAOYSA-N 1 3 361.530 2.353 20 0 FEADHO CC(C)CN1CCCC[C@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000121075408 326311289 /nfs/dbraw/zinc/31/12/89/326311289.db2.gz FCJSAFFROCIYGO-RBUKOAKNSA-N 1 3 353.551 2.406 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1CCCCCC1 ZINC000122054226 326382253 /nfs/dbraw/zinc/38/22/53/326382253.db2.gz PBAIUIAPTGKLBT-NEWSRXKRSA-N 1 3 351.535 2.135 20 0 FEADHO CC1CCN(CC(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000122168250 326386541 /nfs/dbraw/zinc/38/65/41/326386541.db2.gz AVWKCUQTIJXCKU-RTBURBONSA-N 1 3 365.562 2.456 20 0 FEADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246255191 328602942 /nfs/dbraw/zinc/60/29/42/328602942.db2.gz KGQYLZHJDMMWGO-NRSPTQNISA-N 1 3 371.525 2.180 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000163609348 327055116 /nfs/dbraw/zinc/05/51/16/327055116.db2.gz KBAPZWDLFJYZMO-AEFFLSMTSA-N 1 3 370.501 2.087 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)CSc1nccc2ccccc21 ZINC000163823417 327059259 /nfs/dbraw/zinc/05/92/59/327059259.db2.gz ZWJINGAGEILGNC-UHFFFAOYSA-N 1 3 360.527 2.279 20 0 FEADHO COC1(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC000168513809 327087127 /nfs/dbraw/zinc/08/71/27/327087127.db2.gz HRQOUBHPFBRXSV-IEBWSBKVSA-N 1 3 359.514 2.267 20 0 FEADHO CCOc1ncccc1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000171165909 327121767 /nfs/dbraw/zinc/12/17/67/327121767.db2.gz VOKRMZIKJBNSJJ-INIZCTEOSA-N 1 3 363.506 2.360 20 0 FEADHO CCOc1ncccc1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000171165909 327121769 /nfs/dbraw/zinc/12/17/69/327121769.db2.gz VOKRMZIKJBNSJJ-INIZCTEOSA-N 1 3 363.506 2.360 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N(Cc3cccnc3)C3CC3)CC2)CC1 ZINC000171361802 327134758 /nfs/dbraw/zinc/13/47/58/327134758.db2.gz AJZBOITWAGLJOS-UHFFFAOYSA-N 1 3 371.529 2.314 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCCN(C3CC3)CC2)[C@H](C)C1 ZINC000172166458 327185209 /nfs/dbraw/zinc/18/52/09/327185209.db2.gz LQSXGLMKLSLEIN-IEBWSBKVSA-N 1 3 366.550 2.003 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCCN(C3CC3)CC2)[C@H](C)C1 ZINC000172166458 327185211 /nfs/dbraw/zinc/18/52/11/327185211.db2.gz LQSXGLMKLSLEIN-IEBWSBKVSA-N 1 3 366.550 2.003 20 0 FEADHO Cc1cc2c(cc1C)O[C@@H](C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)C2 ZINC000172929669 327226303 /nfs/dbraw/zinc/22/63/03/327226303.db2.gz UAOZWTHXDYCYNV-OAQYLSRUSA-N 1 3 371.525 2.282 20 0 FEADHO C[C@H](NCCC1CC[NH+](C)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173388466 327253091 /nfs/dbraw/zinc/25/30/91/327253091.db2.gz RLNSCNJPLNNXKL-HNNXBMFYSA-N 1 3 353.532 2.319 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000173931187 327295470 /nfs/dbraw/zinc/29/54/70/327295470.db2.gz FPBKEWDPBATCEW-INIZCTEOSA-N 1 3 350.511 2.221 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000173931187 327295471 /nfs/dbraw/zinc/29/54/71/327295471.db2.gz FPBKEWDPBATCEW-INIZCTEOSA-N 1 3 350.511 2.221 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC[NH+]3CCCCC3)CC2)c1 ZINC000174641736 327340959 /nfs/dbraw/zinc/34/09/59/327340959.db2.gz JJDASLYMDIORQJ-UHFFFAOYSA-N 1 3 358.530 2.109 20 0 FEADHO Cc1ccc(F)cc1NC(=O)[C@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174712375 327344958 /nfs/dbraw/zinc/34/49/58/327344958.db2.gz YFKAYGZUAOQAGZ-INIZCTEOSA-N 1 3 350.482 2.030 20 0 FEADHO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@H](N2CC=CC2)C1 ZINC000174938938 327362537 /nfs/dbraw/zinc/36/25/37/327362537.db2.gz TZGFFHLUDHTPLR-PMACEKPBSA-N 1 3 354.498 2.307 20 0 FEADHO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@H](N2CC=CC2)C1 ZINC000174938938 327362538 /nfs/dbraw/zinc/36/25/38/327362538.db2.gz TZGFFHLUDHTPLR-PMACEKPBSA-N 1 3 354.498 2.307 20 0 FEADHO CCc1ccc([C@@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)N(C)C)cc1 ZINC000262880513 328897113 /nfs/dbraw/zinc/89/71/13/328897113.db2.gz YXNSSMYHQVAUSM-AZUAARDMSA-N 1 3 369.513 2.403 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266820144 329262816 /nfs/dbraw/zinc/26/28/16/329262816.db2.gz FOVLHAFPIQGJOA-FQEVSTJZSA-N 1 3 370.541 2.143 20 0 FEADHO CC(C)N1C[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)CC1=O ZINC000268356831 329411447 /nfs/dbraw/zinc/41/14/47/329411447.db2.gz OOAIKOOAHHCQDH-GOSISDBHSA-N 1 3 358.530 2.316 20 0 FEADHO C[C@@H](NCc1cccc(OCC(N)=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268973883 329473863 /nfs/dbraw/zinc/47/38/63/329473863.db2.gz ZRGCPJHZVJWLNZ-MRXNPFEDSA-N 1 3 371.481 2.342 20 0 FEADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000271651127 329711573 /nfs/dbraw/zinc/71/15/73/329711573.db2.gz BCCDXDIHWZGQBG-OALUTQOASA-N 1 3 368.543 2.115 20 0 FEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000273542631 329873462 /nfs/dbraw/zinc/87/34/62/329873462.db2.gz UGCHTJGATKRMEJ-QGZVFWFLSA-N 1 3 372.557 2.457 20 0 FEADHO CC[C@]1(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCC[NH2+]1 ZINC000274339945 329939818 /nfs/dbraw/zinc/93/98/18/329939818.db2.gz AQQVHULJPGJDSO-OAQYLSRUSA-N 1 3 358.530 2.237 20 0 FEADHO Cc1ccccc1NC(=O)CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367026775 330208571 /nfs/dbraw/zinc/20/85/71/330208571.db2.gz COHWCLVJBWMHJB-QUCCMNQESA-N 1 3 358.530 2.281 20 0 FEADHO O[C@@H](CN[C@@H]1CCCC12CCOCC2)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000367104890 330217439 /nfs/dbraw/zinc/21/74/39/330217439.db2.gz BLTXLQUPESKCGN-REPLKXPHSA-N 1 3 366.546 2.225 20 0 FEADHO O[C@H](CN[C@H]1CCCC12CCOCC2)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000367104890 330217440 /nfs/dbraw/zinc/21/74/40/330217440.db2.gz BLTXLQUPESKCGN-REPLKXPHSA-N 1 3 366.546 2.225 20 0 FEADHO CC(C)[N@H+](CCN1CCCCCC1)C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000553938841 674295746 /nfs/dbraw/zinc/29/57/46/674295746.db2.gz VDDGOTKZRUZZFS-AQNXPRMDSA-N 1 3 355.567 2.043 20 0 FEADHO CC(C)[N@@H+](CCN1CCCCCC1)C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000553938841 674295747 /nfs/dbraw/zinc/29/57/47/674295747.db2.gz VDDGOTKZRUZZFS-AQNXPRMDSA-N 1 3 355.567 2.043 20 0 FEADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000479210102 561184838 /nfs/dbraw/zinc/18/48/38/561184838.db2.gz WNSDTRBKZOIEJK-SFHVURJKSA-N 1 3 359.445 2.125 20 0 FEADHO COCCN(C)CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000171190314 546195703 /nfs/dbraw/zinc/19/57/03/546195703.db2.gz LXJSFIARHUMDBV-UHFFFAOYSA-N 1 3 354.539 2.053 20 0 FEADHO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000479343147 561187893 /nfs/dbraw/zinc/18/78/93/561187893.db2.gz JGONNPYARFNFDU-FQEVSTJZSA-N 1 3 353.514 2.335 20 0 FEADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000175675487 546332481 /nfs/dbraw/zinc/33/24/81/546332481.db2.gz WUCJEACUCZJVKF-ZWKOTPCHSA-N 1 3 368.566 2.249 20 0 FEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176380825 546438348 /nfs/dbraw/zinc/43/83/48/546438348.db2.gz XDIUODVVXBHEPF-LJQANCHMSA-N 1 3 368.566 2.440 20 0 FEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176380825 546438350 /nfs/dbraw/zinc/43/83/50/546438350.db2.gz XDIUODVVXBHEPF-LJQANCHMSA-N 1 3 368.566 2.440 20 0 FEADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(I)cc1 ZINC000481027325 561223239 /nfs/dbraw/zinc/22/32/39/561223239.db2.gz RCVSMZDZHKZTLQ-IUODEOHRSA-N 1 3 374.266 2.399 20 0 FEADHO CN(C)[C@]1(CNC(=O)NCCCCC[NH+]2CCCCC2)CCSC1 ZINC000481708318 561239329 /nfs/dbraw/zinc/23/93/29/561239329.db2.gz TUYARTOEBTUTCP-SFHVURJKSA-N 1 3 356.580 2.379 20 0 FEADHO CC(C)[NH+]1CCC(NCc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000180463329 547111375 /nfs/dbraw/zinc/11/13/75/547111375.db2.gz HIKLRVVZHNWSEG-UHFFFAOYSA-N 1 3 372.557 2.475 20 0 FEADHO Cc1ccccc1CCNC(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180935984 547214062 /nfs/dbraw/zinc/21/40/62/547214062.db2.gz SYDGKRVWVFDEQM-IBGZPJMESA-N 1 3 374.573 2.000 20 0 FEADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCCN1C1CCOCC1 ZINC000182498387 547503540 /nfs/dbraw/zinc/50/35/40/547503540.db2.gz YTEULDJBSSGKLT-HXUWFJFHSA-N 1 3 363.546 2.401 20 0 FEADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000182683983 547533567 /nfs/dbraw/zinc/53/35/67/547533567.db2.gz SXYRLCMTNRVVQM-NHCUHLMSSA-N 1 3 373.541 2.205 20 0 FEADHO C[C@H](NC(=O)[C@@H]1CCCN1C1CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182866088 547563676 /nfs/dbraw/zinc/56/36/76/547563676.db2.gz NPYDJZVGLAHFIQ-ZWOKBUDYSA-N 1 3 363.546 2.399 20 0 FEADHO C[C@H](NC(=O)[C@@H]1CCCN1C1CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182866088 547563681 /nfs/dbraw/zinc/56/36/81/547563681.db2.gz NPYDJZVGLAHFIQ-ZWOKBUDYSA-N 1 3 363.546 2.399 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000183199941 547618598 /nfs/dbraw/zinc/61/85/98/547618598.db2.gz UQAOFOMZOOXSIT-HKUYNNGSSA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000183199941 547618603 /nfs/dbraw/zinc/61/86/03/547618603.db2.gz UQAOFOMZOOXSIT-HKUYNNGSSA-N 1 3 366.550 2.002 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000183412540 547654742 /nfs/dbraw/zinc/65/47/42/547654742.db2.gz VDHHMOKGWJXSPG-HUUCEWRRSA-N 1 3 359.470 2.264 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000183412540 547654744 /nfs/dbraw/zinc/65/47/44/547654744.db2.gz VDHHMOKGWJXSPG-HUUCEWRRSA-N 1 3 359.470 2.264 20 0 FEADHO CCC[C@H]1C[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000183530785 547676109 /nfs/dbraw/zinc/67/61/09/547676109.db2.gz LEKJAJSCNMKJFM-LPHOPBHVSA-N 1 3 351.535 2.257 20 0 FEADHO C[NH+](C)CC1(CNC(=O)CCN2CCN(c3ccccc3)CC2)CCCC1 ZINC000185084991 547930044 /nfs/dbraw/zinc/93/00/44/547930044.db2.gz FHPDIZSVVKVQKO-UHFFFAOYSA-N 1 3 372.557 2.437 20 0 FEADHO CON(Cc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000185812782 548038244 /nfs/dbraw/zinc/03/82/44/548038244.db2.gz ZHVFNAFPOCHREF-UHFFFAOYSA-N 1 3 360.502 2.318 20 0 FEADHO COCCO[C@@H]1COCC[C@@H]1[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000485686147 561325735 /nfs/dbraw/zinc/32/57/35/561325735.db2.gz IRBCXCHYJFWNQN-BTHPGYMESA-N 1 3 354.535 2.440 20 0 FEADHO COCCO[C@@H]1COCC[C@@H]1[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000485686151 561325784 /nfs/dbraw/zinc/32/57/84/561325784.db2.gz IRBCXCHYJFWNQN-OJAHFUOMSA-N 1 3 354.535 2.440 20 0 FEADHO CCc1ccc([C@@H](CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)N(C)C)cc1 ZINC000485807875 561328636 /nfs/dbraw/zinc/32/86/36/561328636.db2.gz VPTYNLGBMODDMB-VQIMIIECSA-N 1 3 355.486 2.082 20 0 FEADHO Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000486676563 561354184 /nfs/dbraw/zinc/35/41/84/561354184.db2.gz OXSJXEUNXKQKJU-CQSZACIVSA-N 1 3 361.534 2.195 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000195021960 548565003 /nfs/dbraw/zinc/56/50/03/548565003.db2.gz UYUFCKDMOZNVBB-FQEVSTJZSA-N 1 3 358.530 2.431 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000195021960 548565009 /nfs/dbraw/zinc/56/50/09/548565009.db2.gz UYUFCKDMOZNVBB-FQEVSTJZSA-N 1 3 358.530 2.431 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ncc(COC)s1 ZINC000487176770 561365505 /nfs/dbraw/zinc/36/55/05/561365505.db2.gz NSNPRGITFVNGTC-AWEZNQCLSA-N 1 3 369.535 2.169 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ncc(COC)s1 ZINC000487176770 561365506 /nfs/dbraw/zinc/36/55/06/561365506.db2.gz NSNPRGITFVNGTC-AWEZNQCLSA-N 1 3 369.535 2.169 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H]1CSCCN1 ZINC000236876224 548786225 /nfs/dbraw/zinc/78/62/25/548786225.db2.gz OIPNTOQFVCWOOL-OAHLLOKOSA-N 1 3 351.516 2.441 20 0 FEADHO C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000237401340 548822607 /nfs/dbraw/zinc/82/26/07/548822607.db2.gz NKQHSMNCWWMXON-OPYAIIAOSA-N 1 3 373.541 2.294 20 0 FEADHO C[C@H](NC(C)(C)CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000237511904 548831021 /nfs/dbraw/zinc/83/10/21/548831021.db2.gz STQFXPIJGUIUJI-HNNXBMFYSA-N 1 3 370.501 2.062 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000237720883 548847359 /nfs/dbraw/zinc/84/73/59/548847359.db2.gz OGEJNDUGFLRMSF-NRFANRHFSA-N 1 3 358.530 2.013 20 0 FEADHO O=C(CCCN1CCN(c2ccccc2)CC1)NCC[C@@H]1CCC[NH2+]C1 ZINC000237986251 548869529 /nfs/dbraw/zinc/86/95/29/548869529.db2.gz YNNNSDNUXSSRNE-IBGZPJMESA-N 1 3 358.530 2.095 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000245451617 548924450 /nfs/dbraw/zinc/92/44/50/548924450.db2.gz PQVJIUYLPOBZAG-HLAWJBBLSA-N 1 3 372.557 2.039 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000245451617 548924455 /nfs/dbraw/zinc/92/44/55/548924455.db2.gz PQVJIUYLPOBZAG-HLAWJBBLSA-N 1 3 372.557 2.039 20 0 FEADHO CC(C)[C@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000488038229 561381944 /nfs/dbraw/zinc/38/19/44/561381944.db2.gz ZCTLBMLGZZFOQJ-OAQYLSRUSA-N 1 3 372.557 2.171 20 0 FEADHO C[C@H]1C[C@H]1N1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)C[C@@H](C)C1 ZINC000488203132 561386051 /nfs/dbraw/zinc/38/60/51/561386051.db2.gz OWZJJIVLPUMAMA-GBESFXJTSA-N 1 3 350.551 2.480 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCN2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000247301546 549314413 /nfs/dbraw/zinc/31/44/13/549314413.db2.gz VAEYEYZIOSADTL-QYZOEREBSA-N 1 3 368.566 2.155 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCCN2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000247301546 549314416 /nfs/dbraw/zinc/31/44/16/549314416.db2.gz VAEYEYZIOSADTL-QYZOEREBSA-N 1 3 368.566 2.155 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000248384790 549424482 /nfs/dbraw/zinc/42/44/82/549424482.db2.gz GAPGVLSANFCRMJ-RYQLBKOJSA-N 1 3 367.534 2.029 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000248384790 549424484 /nfs/dbraw/zinc/42/44/84/549424484.db2.gz GAPGVLSANFCRMJ-RYQLBKOJSA-N 1 3 367.534 2.029 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN1C1CCOCC1 ZINC000248711300 549488102 /nfs/dbraw/zinc/48/81/02/549488102.db2.gz CPTWYIDHQAXFPN-TZIWHRDSSA-N 1 3 371.525 2.268 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN1C1CCOCC1 ZINC000248711300 549488106 /nfs/dbraw/zinc/48/81/06/549488106.db2.gz CPTWYIDHQAXFPN-TZIWHRDSSA-N 1 3 371.525 2.268 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248779313 549500159 /nfs/dbraw/zinc/50/01/59/549500159.db2.gz HVCJYBSROSLDIM-RSPOEFSDSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248779313 549500164 /nfs/dbraw/zinc/50/01/64/549500164.db2.gz HVCJYBSROSLDIM-RSPOEFSDSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000248805190 549504395 /nfs/dbraw/zinc/50/43/95/549504395.db2.gz KBAPZWDLFJYZMO-FUHWJXTLSA-N 1 3 370.501 2.087 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000248838686 549511696 /nfs/dbraw/zinc/51/16/96/549511696.db2.gz OTMUTBMABDVYGP-PMACEKPBSA-N 1 3 374.529 2.061 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000248838686 549511698 /nfs/dbraw/zinc/51/16/98/549511698.db2.gz OTMUTBMABDVYGP-PMACEKPBSA-N 1 3 374.529 2.061 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@]2(N)C[C@@H](OCC)C2(C)C)CC1 ZINC000249125483 549557470 /nfs/dbraw/zinc/55/74/70/549557470.db2.gz QQMVNCIJTXZDGJ-YLJYHZDGSA-N 1 3 353.551 2.489 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@]2(N)C[C@@H](OCC)C2(C)C)CC1 ZINC000249125483 549557473 /nfs/dbraw/zinc/55/74/73/549557473.db2.gz QQMVNCIJTXZDGJ-YLJYHZDGSA-N 1 3 353.551 2.489 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2cc(C)on2)[C@@H](C)C1 ZINC000249464042 549594266 /nfs/dbraw/zinc/59/42/66/549594266.db2.gz RUJUREBURXYYHW-HOCLYGCPSA-N 1 3 352.479 2.038 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2cc(C)on2)[C@@H](C)C1 ZINC000249464042 549594269 /nfs/dbraw/zinc/59/42/69/549594269.db2.gz RUJUREBURXYYHW-HOCLYGCPSA-N 1 3 352.479 2.038 20 0 FEADHO CNC(=O)[C@H](CCSC)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000489828577 561419949 /nfs/dbraw/zinc/41/99/49/561419949.db2.gz XMZGHDIOZOOZIH-HCXYKTFWSA-N 1 3 361.555 2.354 20 0 FEADHO CC1(C)CN(C2(CNC(=O)CC[C@H]3CC[NH2+]C3)CCCCC2)CCO1 ZINC000261916064 549769622 /nfs/dbraw/zinc/76/96/22/549769622.db2.gz XBBLTHNSRDISSV-KRWDZBQOSA-N 1 3 351.535 2.306 20 0 FEADHO CC(C)N(C)c1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000261966889 549775435 /nfs/dbraw/zinc/77/54/35/549775435.db2.gz PXOBPLLFBPSVKY-PKOBYXMFSA-N 1 3 373.545 2.006 20 0 FEADHO c1ccc(COc2ccccc2CN2CC[C@@H](N3CC[NH2+]CC3)C2)nc1 ZINC000262094940 549787898 /nfs/dbraw/zinc/78/78/98/549787898.db2.gz HTOQPBMNPUASFZ-HXUWFJFHSA-N 1 3 352.482 2.140 20 0 FEADHO COc1ccc(-c2ccncc2)cc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262128166 549790990 /nfs/dbraw/zinc/79/09/90/549790990.db2.gz NMWFNWVDHXBJMH-HXUWFJFHSA-N 1 3 352.482 2.237 20 0 FEADHO Cc1cccc(C)c1OCCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262135520 549791923 /nfs/dbraw/zinc/79/19/23/549791923.db2.gz ORJWLRGNGBHKBR-OALUTQOASA-N 1 3 359.514 2.262 20 0 FEADHO c1ccc(OCc2cccnc2)c(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262178120 549795330 /nfs/dbraw/zinc/79/53/30/549795330.db2.gz WGJLNKLDMCEEEQ-HXUWFJFHSA-N 1 3 352.482 2.140 20 0 FEADHO COCC1(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CC[NH2+]CC1 ZINC000262391735 549816465 /nfs/dbraw/zinc/81/64/65/549816465.db2.gz PRPOKJKRZNOIFF-QGZVFWFLSA-N 1 3 359.514 2.344 20 0 FEADHO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@@H](C)C1 ZINC000490366495 561431731 /nfs/dbraw/zinc/43/17/31/561431731.db2.gz JTZFMWJELQKDNR-FJIDUMEYSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@@H](C)C1 ZINC000490366495 561431732 /nfs/dbraw/zinc/43/17/32/561431732.db2.gz JTZFMWJELQKDNR-FJIDUMEYSA-N 1 3 350.551 2.479 20 0 FEADHO CCN(C(=O)[C@@H]1CN2CCN1CCC2)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000490548278 561434891 /nfs/dbraw/zinc/43/48/91/561434891.db2.gz VERRLMBEOWATRY-TYPHKJRUSA-N 1 3 370.541 2.060 20 0 FEADHO CCN(C(=O)[C@@H]1CN2CCN1CCC2)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000490548278 561434892 /nfs/dbraw/zinc/43/48/92/561434892.db2.gz VERRLMBEOWATRY-TYPHKJRUSA-N 1 3 370.541 2.060 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CCCC[C@]3(C)[NH3+])CC2)C[C@H](C)O1 ZINC000263171262 549883632 /nfs/dbraw/zinc/88/36/32/549883632.db2.gz FSKBUKNPLTYKLF-WQDJSCAQSA-N 1 3 351.535 2.242 20 0 FEADHO C[C@H]1CN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC[N@@H+](C2CCC2)C1 ZINC000490378553 561432029 /nfs/dbraw/zinc/43/20/29/561432029.db2.gz TUOFNFFBIOYYNI-MSOLQXFVSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@H]1CN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC[N@H+](C2CCC2)C1 ZINC000490378553 561432030 /nfs/dbraw/zinc/43/20/30/561432030.db2.gz TUOFNFFBIOYYNI-MSOLQXFVSA-N 1 3 366.550 2.003 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000263775602 549934921 /nfs/dbraw/zinc/93/49/21/549934921.db2.gz NXMHDQZKVPHQEG-HXUWFJFHSA-N 1 3 374.529 2.061 20 0 FEADHO CSC1(CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)CC[NH+](C)CC1 ZINC000491030335 561442057 /nfs/dbraw/zinc/44/20/57/561442057.db2.gz BPJRCRCWNZCQFX-GVDBMIGSSA-N 1 3 368.591 2.186 20 0 FEADHO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N(C)CCC[NH+]1CCN(C)CC1 ZINC000492913690 561453374 /nfs/dbraw/zinc/45/33/74/561453374.db2.gz VFEBXXSCVYUJST-AWEZNQCLSA-N 1 3 370.900 2.375 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@@]2(C)CCO[C@H]2C)CC1 ZINC000494233266 561465317 /nfs/dbraw/zinc/46/53/17/561465317.db2.gz HHPIKYKJGSTYTQ-RXVVDRJESA-N 1 3 359.514 2.186 20 0 FEADHO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCCN3C3CC3)cc2)CC1 ZINC000494273863 561466050 /nfs/dbraw/zinc/46/60/50/561466050.db2.gz LIFRHSYMRLLMGU-FQEVSTJZSA-N 1 3 356.514 2.389 20 0 FEADHO Cc1ccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c(OCC[NH+](C)C)c1 ZINC000272376377 550441892 /nfs/dbraw/zinc/44/18/92/550441892.db2.gz HETFYKAYLUVQLI-FUHWJXTLSA-N 1 3 360.502 2.493 20 0 FEADHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(=O)N1CCOCC1 ZINC000272680423 550464594 /nfs/dbraw/zinc/46/45/94/550464594.db2.gz SCHCYCHJDUYOLE-IHPCNDPISA-N 1 3 359.514 2.124 20 0 FEADHO O=C(NC[C@H]1CC[NH2+]C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000273065310 550483290 /nfs/dbraw/zinc/48/32/90/550483290.db2.gz UFRYIUBOIIWFGB-DOTOQJQBSA-N 1 3 355.404 2.167 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000274725585 550550825 /nfs/dbraw/zinc/55/08/25/550550825.db2.gz AKZRJPYDUGMOND-BHIYHBOVSA-N 1 3 361.530 2.152 20 0 FEADHO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(OCCN(C)C)cc1 ZINC000274811257 550556481 /nfs/dbraw/zinc/55/64/81/550556481.db2.gz VEJAHLFBGFROIP-MRXNPFEDSA-N 1 3 356.532 2.493 20 0 FEADHO CN(C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000276837983 550601713 /nfs/dbraw/zinc/60/17/13/550601713.db2.gz IKIIBMLWWSNNAU-MOPGFXCFSA-N 1 3 367.497 2.154 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000494874076 561478299 /nfs/dbraw/zinc/47/82/99/561478299.db2.gz NEQMSLBXLODEDS-OKZBNKHCSA-N 1 3 366.550 2.144 20 0 FEADHO C[C@@H](C[NH+](C)C)NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000495185251 561483781 /nfs/dbraw/zinc/48/37/81/561483781.db2.gz UELSKQOYWDDRHH-INIZCTEOSA-N 1 3 354.539 2.049 20 0 FEADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279094919 550853395 /nfs/dbraw/zinc/85/33/95/550853395.db2.gz WRDHTXDTBNQSAD-LPHOPBHVSA-N 1 3 353.470 2.054 20 0 FEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000496648513 561495161 /nfs/dbraw/zinc/49/51/61/561495161.db2.gz GXXJGWNEKCVUMC-IEBWSBKVSA-N 1 3 362.518 2.472 20 0 FEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000496648513 561495162 /nfs/dbraw/zinc/49/51/62/561495162.db2.gz GXXJGWNEKCVUMC-IEBWSBKVSA-N 1 3 362.518 2.472 20 0 FEADHO Cc1ccc2nc(CNCCCN3CCN(c4cc[nH+]cc4)CC3)cn2c1 ZINC000283871059 551441803 /nfs/dbraw/zinc/44/18/03/551441803.db2.gz ISJNNMYWBGRTAL-UHFFFAOYSA-N 1 3 364.497 2.340 20 0 FEADHO CN1CCN(CCCNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000498203549 561518385 /nfs/dbraw/zinc/51/83/85/561518385.db2.gz DOIWTBHUAXTUSG-TUNNFDKTSA-N 1 3 372.557 2.389 20 0 FEADHO N[C@H](CC(F)F)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000498207316 561518625 /nfs/dbraw/zinc/51/86/25/561518625.db2.gz XOSIADZWHQDMNB-OAHLLOKOSA-N 1 3 368.428 2.422 20 0 FEADHO N[C@@H](CC(F)F)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000498212309 561518730 /nfs/dbraw/zinc/51/87/30/561518730.db2.gz NWDJAHHIXFSJGB-HNNXBMFYSA-N 1 3 368.428 2.422 20 0 FEADHO C[NH+]1CCC(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000285054448 551697647 /nfs/dbraw/zinc/69/76/47/551697647.db2.gz LLRISRYQIZIBJK-KRWDZBQOSA-N 1 3 351.441 2.354 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000285480286 551762970 /nfs/dbraw/zinc/76/29/70/551762970.db2.gz BKJGWZYRKQTSEV-INIZCTEOSA-N 1 3 360.502 2.086 20 0 FEADHO CN(CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)Cc1ccco1 ZINC000286370041 551879684 /nfs/dbraw/zinc/87/96/84/551879684.db2.gz CKCFUCCIPXERSD-IBGZPJMESA-N 1 3 363.502 2.203 20 0 FEADHO CN(CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)Cc1ccco1 ZINC000286370041 551879686 /nfs/dbraw/zinc/87/96/86/551879686.db2.gz CKCFUCCIPXERSD-IBGZPJMESA-N 1 3 363.502 2.203 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000287458013 552006768 /nfs/dbraw/zinc/00/67/68/552006768.db2.gz XKYBWQJDITUOTD-GBESFXJTSA-N 1 3 360.502 2.224 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000287458013 552006770 /nfs/dbraw/zinc/00/67/70/552006770.db2.gz XKYBWQJDITUOTD-GBESFXJTSA-N 1 3 360.502 2.224 20 0 FEADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000287738913 552040817 /nfs/dbraw/zinc/04/08/17/552040817.db2.gz PNWWHZIYCODTKG-BRWVUGGUSA-N 1 3 358.404 2.453 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000288152408 552100657 /nfs/dbraw/zinc/10/06/57/552100657.db2.gz MGLCJWPUUZLXEP-LPHOPBHVSA-N 1 3 372.513 2.080 20 0 FEADHO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000288432106 552152513 /nfs/dbraw/zinc/15/25/13/552152513.db2.gz DILNTXCTPKGLSR-MGPUTAFESA-N 1 3 372.513 2.366 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc2c(c1)c(C)nn2C ZINC000289494201 552330774 /nfs/dbraw/zinc/33/07/74/552330774.db2.gz SBKZREVGWRZVEW-GOSISDBHSA-N 1 3 358.534 2.125 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc2c(c1)c(C)nn2C ZINC000289494201 552330775 /nfs/dbraw/zinc/33/07/75/552330775.db2.gz SBKZREVGWRZVEW-GOSISDBHSA-N 1 3 358.534 2.125 20 0 FEADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C12CCC[NH+]1CCC2 ZINC000290307805 552457756 /nfs/dbraw/zinc/45/77/56/552457756.db2.gz ABTNDWJDLDEACH-IBGZPJMESA-N 1 3 357.498 2.022 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CN1Cc1ccccc1 ZINC000292593431 552741359 /nfs/dbraw/zinc/74/13/59/552741359.db2.gz MOFNMMXJOBEOSN-YFVAEKQCSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CN1Cc1ccccc1 ZINC000292593431 552741361 /nfs/dbraw/zinc/74/13/61/552741361.db2.gz MOFNMMXJOBEOSN-YFVAEKQCSA-N 1 3 356.514 2.387 20 0 FEADHO CCN1CC[C@H]2OCCN(C(=O)c3ccc(C[NH+](CC)CC)cc3)[C@H]2C1 ZINC000294017248 552875756 /nfs/dbraw/zinc/87/57/56/552875756.db2.gz YZFHHGMDLWPQFY-VQTJNVASSA-N 1 3 359.514 2.464 20 0 FEADHO C[C@@H]1CCN(C)CCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000502958992 561630979 /nfs/dbraw/zinc/63/09/79/561630979.db2.gz JDDRVLWIJPDBDK-GOSISDBHSA-N 1 3 358.530 2.429 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)N2CCCC2)cc1 ZINC000503501650 561642938 /nfs/dbraw/zinc/64/29/38/561642938.db2.gz GMGOAYFFBUMTOW-YLJYHZDGSA-N 1 3 372.513 2.368 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)N2CCCC2)cc1 ZINC000503501650 561642939 /nfs/dbraw/zinc/64/29/39/561642939.db2.gz GMGOAYFFBUMTOW-YLJYHZDGSA-N 1 3 372.513 2.368 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000504959180 561664643 /nfs/dbraw/zinc/66/46/43/561664643.db2.gz IGYYQQNFNUOION-IAGOWNOFSA-N 1 3 366.575 2.274 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000504959180 561664644 /nfs/dbraw/zinc/66/46/44/561664644.db2.gz IGYYQQNFNUOION-IAGOWNOFSA-N 1 3 366.575 2.274 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000506938750 561712134 /nfs/dbraw/zinc/71/21/34/561712134.db2.gz GJPNKYUJVWOAMQ-IEBWSBKVSA-N 1 3 374.529 2.232 20 0 FEADHO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1=O ZINC000507479982 561730457 /nfs/dbraw/zinc/73/04/57/561730457.db2.gz ACZNFHIVVOEUDG-CHDNSQQPSA-N 1 3 353.510 2.496 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000331481376 554272197 /nfs/dbraw/zinc/27/21/97/554272197.db2.gz IOGYUSDQIDIYSL-PSBWJHGTSA-N 1 3 366.550 2.177 20 0 FEADHO C[C@@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)C1=CCN(C)CC1 ZINC000510483354 561835933 /nfs/dbraw/zinc/83/59/33/561835933.db2.gz UTFNVXZIFKHOMC-MRXNPFEDSA-N 1 3 360.502 2.077 20 0 FEADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000333412802 554610691 /nfs/dbraw/zinc/61/06/91/554610691.db2.gz RMAWVAQHORJQEF-HZPDHXFCSA-N 1 3 354.564 2.117 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333851605 554649457 /nfs/dbraw/zinc/64/94/57/554649457.db2.gz QCDKYQGXAVZCFP-SCTDSRPQSA-N 1 3 366.550 2.049 20 0 FEADHO C[NH+](C)CCCCCCCNC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000361393393 554920948 /nfs/dbraw/zinc/92/09/48/554920948.db2.gz RYCLXHXIYBGXFM-UHFFFAOYSA-N 1 3 368.566 2.395 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCCn1c2ccccc2[nH]c1=O ZINC000362302991 554961546 /nfs/dbraw/zinc/96/15/46/554961546.db2.gz HHIGPTUUBJZYDM-IXDOHACOSA-N 1 3 358.486 2.221 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCCn1c2ccccc2[nH]c1=O ZINC000362302991 554961548 /nfs/dbraw/zinc/96/15/48/554961548.db2.gz HHIGPTUUBJZYDM-IXDOHACOSA-N 1 3 358.486 2.221 20 0 FEADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000362860258 554993832 /nfs/dbraw/zinc/99/38/32/554993832.db2.gz SHWDOTCATVLCOK-VQTJNVASSA-N 1 3 373.545 2.277 20 0 FEADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000362860258 554993834 /nfs/dbraw/zinc/99/38/34/554993834.db2.gz SHWDOTCATVLCOK-VQTJNVASSA-N 1 3 373.545 2.277 20 0 FEADHO COCCCN1CCCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000362920363 554999211 /nfs/dbraw/zinc/99/92/11/554999211.db2.gz KJWCVAVRDVNPBF-UHFFFAOYSA-N 1 3 368.566 2.252 20 0 FEADHO C[C@H](C(=O)NC1CCN(CCc2ccncc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000363076666 555024682 /nfs/dbraw/zinc/02/46/82/555024682.db2.gz VUNWZOQUVXAHOE-KZNAEPCWSA-N 1 3 358.530 2.466 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ccccc1Cn1cncn1 ZINC000363836691 555196186 /nfs/dbraw/zinc/19/61/86/555196186.db2.gz VKTJMNIMKJKENW-JRGCBEDISA-N 1 3 369.513 2.305 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ccccc1Cn1cncn1 ZINC000363836691 555196187 /nfs/dbraw/zinc/19/61/87/555196187.db2.gz VKTJMNIMKJKENW-JRGCBEDISA-N 1 3 369.513 2.305 20 0 FEADHO CC(C)S(=O)(=O)N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000366216123 555784421 /nfs/dbraw/zinc/78/44/21/555784421.db2.gz ZCZGOVSVEZNHGM-UHFFFAOYSA-N 1 3 357.564 2.186 20 0 FEADHO COc1cccc([C@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)N2CCCC2)c1 ZINC000514194191 561962975 /nfs/dbraw/zinc/96/29/75/561962975.db2.gz WUMYLSAOYMTFCO-LPHOPBHVSA-N 1 3 362.518 2.472 20 0 FEADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N(C)C1CCN(CCc2ccccn2)CC1 ZINC000367560839 556083147 /nfs/dbraw/zinc/08/31/47/556083147.db2.gz BJRFMQFXOKHHJD-KNQAVFIVSA-N 1 3 371.573 2.494 20 0 FEADHO CNC(=O)C[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000514955674 561988611 /nfs/dbraw/zinc/98/86/11/561988611.db2.gz BCDWODBQEUZJFW-HKUYNNGSSA-N 1 3 359.514 2.029 20 0 FEADHO CNC(=O)C[C@H](C)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000514955674 561988612 /nfs/dbraw/zinc/98/86/12/561988612.db2.gz BCDWODBQEUZJFW-HKUYNNGSSA-N 1 3 359.514 2.029 20 0 FEADHO CNC(=O)C[C@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000514955674 561988613 /nfs/dbraw/zinc/98/86/13/561988613.db2.gz BCDWODBQEUZJFW-HKUYNNGSSA-N 1 3 359.514 2.029 20 0 FEADHO COCCOc1cccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000368052197 556204943 /nfs/dbraw/zinc/20/49/43/556204943.db2.gz UJWHJFMAGFTVJQ-SFHVURJKSA-N 1 3 361.530 2.312 20 0 FEADHO COCCOc1cccc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000368052197 556204945 /nfs/dbraw/zinc/20/49/45/556204945.db2.gz UJWHJFMAGFTVJQ-SFHVURJKSA-N 1 3 361.530 2.312 20 0 FEADHO COCCOc1cccc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000368052197 556204947 /nfs/dbraw/zinc/20/49/47/556204947.db2.gz UJWHJFMAGFTVJQ-SFHVURJKSA-N 1 3 361.530 2.312 20 0 FEADHO Cc1nc(CN2C[C@@H](F)C[C@H]2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)oc1C ZINC000368054078 556205686 /nfs/dbraw/zinc/20/56/86/556205686.db2.gz JTKALUZVIPCVPQ-VGUREELVSA-N 1 3 350.482 2.419 20 0 FEADHO Cc1nc(CN2C[C@@H](F)C[C@H]2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)oc1C ZINC000368054078 556205688 /nfs/dbraw/zinc/20/56/88/556205688.db2.gz JTKALUZVIPCVPQ-VGUREELVSA-N 1 3 350.482 2.419 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000368155500 556232583 /nfs/dbraw/zinc/23/25/83/556232583.db2.gz OKELIRDVHKBLBQ-LJQANCHMSA-N 1 3 356.514 2.089 20 0 FEADHO C[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000368389798 556294530 /nfs/dbraw/zinc/29/45/30/556294530.db2.gz KQHGRQANJPIWMD-NQIIRXRSSA-N 1 3 372.557 2.354 20 0 FEADHO C[C@@H]1CCC[N@H+]1C1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000368389798 556294534 /nfs/dbraw/zinc/29/45/34/556294534.db2.gz KQHGRQANJPIWMD-NQIIRXRSSA-N 1 3 372.557 2.354 20 0 FEADHO C[C@H]1CN(Cc2cn(C)nc2-c2cccnc2)CCN1C1CC[NH+](C)CC1 ZINC000368582386 556352739 /nfs/dbraw/zinc/35/27/39/556352739.db2.gz FOEGQSSQFFXNOY-KRWDZBQOSA-N 1 3 368.529 2.082 20 0 FEADHO COCCN1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCCCC2)CC1 ZINC000368710399 556393359 /nfs/dbraw/zinc/39/33/59/556393359.db2.gz SJYBEAOQDOWWIG-IBGZPJMESA-N 1 3 366.550 2.147 20 0 FEADHO COCCN1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCCCC2)CC1 ZINC000368710400 556393414 /nfs/dbraw/zinc/39/34/14/556393414.db2.gz SJYBEAOQDOWWIG-LJQANCHMSA-N 1 3 366.550 2.147 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)NC3(C)CC[NH2+]CC3)cc2)CC1 ZINC000516026156 562028430 /nfs/dbraw/zinc/02/84/30/562028430.db2.gz WXVFUFLPYAOABT-UHFFFAOYSA-N 1 3 360.502 2.101 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)CC[N@@H+]1C ZINC000369862730 556715346 /nfs/dbraw/zinc/71/53/46/556715346.db2.gz USIYDVNZAOERKF-MISYRCLQSA-N 1 3 373.545 2.418 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)CC[N@H+]1C ZINC000369862730 556715347 /nfs/dbraw/zinc/71/53/47/556715347.db2.gz USIYDVNZAOERKF-MISYRCLQSA-N 1 3 373.545 2.418 20 0 FEADHO C[NH+]1CCC(C)(CNC(=O)NC2CCN(CCc3ccncc3)CC2)CC1 ZINC000369981262 556747882 /nfs/dbraw/zinc/74/78/82/556747882.db2.gz BSICXVPLSSQHHV-UHFFFAOYSA-N 1 3 373.545 2.120 20 0 FEADHO C[C@H](NC(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1)C1=CCN(C)CC1 ZINC000370001284 556754489 /nfs/dbraw/zinc/75/44/89/556754489.db2.gz ZTQZZFRPNLZGDT-INIZCTEOSA-N 1 3 357.502 2.342 20 0 FEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000370051604 556767363 /nfs/dbraw/zinc/76/73/63/556767363.db2.gz XCXCAGLSCIPXNB-KURKYZTESA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000370051604 556767367 /nfs/dbraw/zinc/76/73/67/556767367.db2.gz XCXCAGLSCIPXNB-KURKYZTESA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000370051605 556767597 /nfs/dbraw/zinc/76/75/97/556767597.db2.gz XCXCAGLSCIPXNB-KZNAEPCWSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000370051605 556767600 /nfs/dbraw/zinc/76/76/00/556767600.db2.gz XCXCAGLSCIPXNB-KZNAEPCWSA-N 1 3 366.550 2.002 20 0 FEADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000516633884 562051947 /nfs/dbraw/zinc/05/19/47/562051947.db2.gz FFLLCWNQEHYDGF-BZUAXINKSA-N 1 3 350.532 2.387 20 0 FEADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000370370965 556852736 /nfs/dbraw/zinc/85/27/36/556852736.db2.gz WXRMYQCKSRJAFR-MISYRCLQSA-N 1 3 373.545 2.322 20 0 FEADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000370370965 556852741 /nfs/dbraw/zinc/85/27/41/556852741.db2.gz WXRMYQCKSRJAFR-MISYRCLQSA-N 1 3 373.545 2.322 20 0 FEADHO C[N@H+](CCCO)C1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000370498238 556890697 /nfs/dbraw/zinc/89/06/97/556890697.db2.gz GNGWDFBEGGGVTL-LJQANCHMSA-N 1 3 351.535 2.089 20 0 FEADHO C[N@@H+](CCCO)C1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000370498238 556890703 /nfs/dbraw/zinc/89/07/03/556890703.db2.gz GNGWDFBEGGGVTL-LJQANCHMSA-N 1 3 351.535 2.089 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(C[NH3+])cc2)c1 ZINC000516865563 562061415 /nfs/dbraw/zinc/06/14/15/562061415.db2.gz OLKMGOIGCQWHRX-UHFFFAOYSA-N 1 3 370.497 2.427 20 0 FEADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000370677644 556937198 /nfs/dbraw/zinc/93/71/98/556937198.db2.gz YQDNQHLNJLJEQH-DFQSSKMNSA-N 1 3 359.514 2.204 20 0 FEADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000370677644 556937200 /nfs/dbraw/zinc/93/72/00/556937200.db2.gz YQDNQHLNJLJEQH-DFQSSKMNSA-N 1 3 359.514 2.204 20 0 FEADHO COCCOc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000370697725 556943038 /nfs/dbraw/zinc/94/30/38/556943038.db2.gz LZXXWSJJWDJUPB-AZUAARDMSA-N 1 3 361.530 2.170 20 0 FEADHO COCCOc1ccccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000370697725 556943041 /nfs/dbraw/zinc/94/30/41/556943041.db2.gz LZXXWSJJWDJUPB-AZUAARDMSA-N 1 3 361.530 2.170 20 0 FEADHO C[N@@H+]1C[C@@H]2CN(C(=O)C3(N)Cc4ccccc4C3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000370770928 556963056 /nfs/dbraw/zinc/96/30/56/556963056.db2.gz FOXFUKHYCLOOFK-HKBOAZHASA-N 1 3 361.489 2.244 20 0 FEADHO C[N@H+]1C[C@@H]2CN(C(=O)C3(N)Cc4ccccc4C3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000370770928 556963057 /nfs/dbraw/zinc/96/30/57/556963057.db2.gz FOXFUKHYCLOOFK-HKBOAZHASA-N 1 3 361.489 2.244 20 0 FEADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3CCCCN3CCO)ccc21 ZINC000516953919 562066903 /nfs/dbraw/zinc/06/69/03/562066903.db2.gz LQKCBHJAFVHZRO-MJGOQNOKSA-N 1 3 360.502 2.204 20 0 FEADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3CCCCN3CCO)ccc21 ZINC000516953917 562066946 /nfs/dbraw/zinc/06/69/46/562066946.db2.gz LQKCBHJAFVHZRO-HKUYNNGSSA-N 1 3 360.502 2.204 20 0 FEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000371280914 557129533 /nfs/dbraw/zinc/12/95/33/557129533.db2.gz SPTDYESGZVQLNB-NSISKUIASA-N 1 3 352.482 2.498 20 0 FEADHO C[NH+]1CCC(N2CC[C@H](Nc3ncnc4c3cnn4C(C)(C)C)C2)CC1 ZINC000371310113 557141091 /nfs/dbraw/zinc/14/10/91/557141091.db2.gz GPPJBOOBSPROCC-AWEZNQCLSA-N 1 3 357.506 2.162 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000518106199 562104614 /nfs/dbraw/zinc/10/46/14/562104614.db2.gz OFIHPKVPQBXQPZ-IAGOWNOFSA-N 1 3 368.566 2.438 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000371687721 557263025 /nfs/dbraw/zinc/26/30/25/557263025.db2.gz ZTPDVWYBZDOLSW-WBAXXEDZSA-N 1 3 359.470 2.407 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000371687721 557263030 /nfs/dbraw/zinc/26/30/30/557263030.db2.gz ZTPDVWYBZDOLSW-WBAXXEDZSA-N 1 3 359.470 2.407 20 0 FEADHO COC(=O)c1cccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000371822436 557303867 /nfs/dbraw/zinc/30/38/67/557303867.db2.gz KIBBCWJBEBYBRJ-UHFFFAOYSA-N 1 3 359.514 2.323 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C)[C@H](OC)C3)CC2)CC1 ZINC000519178734 562126771 /nfs/dbraw/zinc/12/67/71/562126771.db2.gz NKQNROVGZLKJIV-VQIMIIECSA-N 1 3 351.535 2.066 20 0 FEADHO CCC[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1)N(C)C ZINC000372539711 557497866 /nfs/dbraw/zinc/49/78/66/557497866.db2.gz LYVAISRWDFXAAG-QXAKKESOSA-N 1 3 363.550 2.382 20 0 FEADHO CCC[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1)N(C)C ZINC000372539711 557497870 /nfs/dbraw/zinc/49/78/70/557497870.db2.gz LYVAISRWDFXAAG-QXAKKESOSA-N 1 3 363.550 2.382 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000519407390 562131275 /nfs/dbraw/zinc/13/12/75/562131275.db2.gz IWCGWATZMOJHCL-CTNGQTDRSA-N 1 3 370.541 2.433 20 0 FEADHO Cc1cc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)n(C2CCN(C)CC2)n1 ZINC000519577692 562135456 /nfs/dbraw/zinc/13/54/56/562135456.db2.gz RMAJZTVOYAMROG-INIZCTEOSA-N 1 3 362.522 2.406 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCC(C)(C)O3)CC2)CC1 ZINC000519619994 562137325 /nfs/dbraw/zinc/13/73/25/562137325.db2.gz XZGOWHQRPJDIET-SFHVURJKSA-N 1 3 351.535 2.257 20 0 FEADHO [NH3+]C[C@@H](NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2)C1CC1 ZINC000519814580 562144975 /nfs/dbraw/zinc/14/49/75/562144975.db2.gz RIRTZWGACOJARG-CTNGQTDRSA-N 1 3 356.514 2.421 20 0 FEADHO C[C@@H]1CN(CCC(=O)N2CCc3ccccc32)CC[N@@H+]1C1CCN(C)CC1 ZINC000373174803 557644325 /nfs/dbraw/zinc/64/43/25/557644325.db2.gz CQEFGLJKCZQCJW-GOSISDBHSA-N 1 3 370.541 2.066 20 0 FEADHO C[C@@H]1CN(CCC(=O)N2CCc3ccccc32)CC[N@H+]1C1CCN(C)CC1 ZINC000373174803 557644327 /nfs/dbraw/zinc/64/43/27/557644327.db2.gz CQEFGLJKCZQCJW-GOSISDBHSA-N 1 3 370.541 2.066 20 0 FEADHO C[C@@H]1CN(CCC(=O)N2CCc3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000373174803 557644329 /nfs/dbraw/zinc/64/43/29/557644329.db2.gz CQEFGLJKCZQCJW-GOSISDBHSA-N 1 3 370.541 2.066 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000373317598 557671435 /nfs/dbraw/zinc/67/14/35/557671435.db2.gz JDNMNQPVCHHKSC-WMZOPIPTSA-N 1 3 368.566 2.248 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373438537 557693689 /nfs/dbraw/zinc/69/36/89/557693689.db2.gz FSSZXKDLNYIIHU-KPFFTGBYSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373438537 557693692 /nfs/dbraw/zinc/69/36/92/557693692.db2.gz FSSZXKDLNYIIHU-KPFFTGBYSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@H](CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)[NH+]1CCC(C)CC1 ZINC000373553382 557717131 /nfs/dbraw/zinc/71/71/31/557717131.db2.gz COJXWZXKPFTXTP-HOJAQTOUSA-N 1 3 373.545 2.494 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000374166446 557835854 /nfs/dbraw/zinc/83/58/54/557835854.db2.gz WULYTMOFFONGKQ-JOCHJYFZSA-N 1 3 372.557 2.042 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000374166446 557835855 /nfs/dbraw/zinc/83/58/55/557835855.db2.gz WULYTMOFFONGKQ-JOCHJYFZSA-N 1 3 372.557 2.042 20 0 FEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000375979262 558109005 /nfs/dbraw/zinc/10/90/05/558109005.db2.gz CWXGWGBBFCVHOP-OTWHNJEPSA-N 1 3 359.518 2.248 20 0 FEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000375979262 558109006 /nfs/dbraw/zinc/10/90/06/558109006.db2.gz CWXGWGBBFCVHOP-OTWHNJEPSA-N 1 3 359.518 2.248 20 0 FEADHO C[C@H]1CN(CCc2nc(-c3ccccc3)no2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000376204173 558140550 /nfs/dbraw/zinc/14/05/50/558140550.db2.gz XOTVOTZKULOZCS-HKUYNNGSSA-N 1 3 369.513 2.237 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000521698566 562182485 /nfs/dbraw/zinc/18/24/85/562182485.db2.gz SKSKHXJPJFKDID-UHFFFAOYSA-N 1 3 354.539 2.048 20 0 FEADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000378091661 558478768 /nfs/dbraw/zinc/47/87/68/558478768.db2.gz MPODZASBIUSUCX-POAQFYNOSA-N 1 3 371.529 2.076 20 0 FEADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000378091661 558478770 /nfs/dbraw/zinc/47/87/70/558478770.db2.gz MPODZASBIUSUCX-POAQFYNOSA-N 1 3 371.529 2.076 20 0 FEADHO CCC[NH+]1CCC(N2CCN(C(=O)[C@H](C)[C@@H](N)c3ccccc3)CC2)CC1 ZINC000378201494 558501530 /nfs/dbraw/zinc/50/15/30/558501530.db2.gz DJVXPCMCQMZOAL-WIYYLYMNSA-N 1 3 372.557 2.341 20 0 FEADHO CCOc1ccc(OCC[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000378316566 558528046 /nfs/dbraw/zinc/52/80/46/558528046.db2.gz KEAVNHQSSZJJRC-WIYYLYMNSA-N 1 3 361.530 2.422 20 0 FEADHO CCOc1ccc(OCC[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000378316566 558528047 /nfs/dbraw/zinc/52/80/47/558528047.db2.gz KEAVNHQSSZJJRC-WIYYLYMNSA-N 1 3 361.530 2.422 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000389879164 558609812 /nfs/dbraw/zinc/60/98/12/558609812.db2.gz NGKWQLDFTFXFMN-VUYAKXMISA-N 1 3 371.525 2.156 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000389879164 558609814 /nfs/dbraw/zinc/60/98/14/558609814.db2.gz NGKWQLDFTFXFMN-VUYAKXMISA-N 1 3 371.525 2.156 20 0 FEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000524370750 562227642 /nfs/dbraw/zinc/22/76/42/562227642.db2.gz QGDDLFFWSZPLLA-AVRDEDQJSA-N 1 3 373.541 2.250 20 0 FEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000524370750 562227643 /nfs/dbraw/zinc/22/76/43/562227643.db2.gz QGDDLFFWSZPLLA-AVRDEDQJSA-N 1 3 373.541 2.250 20 0 FEADHO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)N[C@H]1CCN(C2CC2)C1 ZINC000524464146 562229085 /nfs/dbraw/zinc/22/90/85/562229085.db2.gz BXIRGQBQDSOBES-SFHVURJKSA-N 1 3 372.513 2.197 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)ccc1C[NH+](C)C ZINC000411133044 558842593 /nfs/dbraw/zinc/84/25/93/558842593.db2.gz LNDMREQYYGVLJO-IRXDYDNUSA-N 1 3 374.529 2.374 20 0 FEADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411446251 558896145 /nfs/dbraw/zinc/89/61/45/558896145.db2.gz AOIZFOJAJAAJPU-UHFFFAOYSA-N 1 3 374.529 2.330 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000411483855 558902661 /nfs/dbraw/zinc/90/26/61/558902661.db2.gz CYJIZICFMYHXIF-NRFANRHFSA-N 1 3 373.497 2.099 20 0 FEADHO CCN1CCC(NC(=O)CN[C@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000411556068 558916718 /nfs/dbraw/zinc/91/67/18/558916718.db2.gz XHRLGFUOZATEQN-HKUYNNGSSA-N 1 3 352.567 2.077 20 0 FEADHO CN1CCC[C@H](CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000525982475 562262218 /nfs/dbraw/zinc/26/22/18/562262218.db2.gz BBVMKGLFIVSQIZ-AQNXPRMDSA-N 1 3 356.514 2.102 20 0 FEADHO CN1CCC[C@H](CNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000525982475 562262219 /nfs/dbraw/zinc/26/22/19/562262219.db2.gz BBVMKGLFIVSQIZ-AQNXPRMDSA-N 1 3 356.514 2.102 20 0 FEADHO COC(=O)[C@]1(C)CCCN(C/C=C\C[N@@H+]2CCC[C@@](C)(C(=O)OC)C2)C1 ZINC000412059322 559007873 /nfs/dbraw/zinc/00/78/73/559007873.db2.gz CFABZUZRDMEKRY-SBUVDCAVSA-N 1 3 366.502 2.093 20 0 FEADHO COC(=O)[C@]1(C)CCCN(C/C=C\C[N@H+]2CCC[C@@](C)(C(=O)OC)C2)C1 ZINC000412059322 559007874 /nfs/dbraw/zinc/00/78/74/559007874.db2.gz CFABZUZRDMEKRY-SBUVDCAVSA-N 1 3 366.502 2.093 20 0 FEADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000414113727 559149595 /nfs/dbraw/zinc/14/95/95/559149595.db2.gz OGCIOTLNDGOJFP-BPLDGKMQSA-N 1 3 356.308 2.462 20 0 FEADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000414113730 559149723 /nfs/dbraw/zinc/14/97/23/559149723.db2.gz OGCIOTLNDGOJFP-YUELXQCFSA-N 1 3 356.308 2.462 20 0 FEADHO Cc1nc(C)c([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)s1 ZINC000414180398 559151762 /nfs/dbraw/zinc/15/17/62/559151762.db2.gz BARVBKAPXVYFDO-CQSZACIVSA-N 1 3 352.548 2.207 20 0 FEADHO CN1CCC(C[NH2+]C2CCN(c3ccccc3)CC2)(N2CCOCC2)CC1 ZINC000414207228 559152897 /nfs/dbraw/zinc/15/28/97/559152897.db2.gz ZIQPHVVGHXDVRZ-UHFFFAOYSA-N 1 3 372.557 2.042 20 0 FEADHO CC(C)c1ncc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)s1 ZINC000414479278 559167726 /nfs/dbraw/zinc/16/77/26/559167726.db2.gz HBJXIMVEPKTWDJ-UHFFFAOYSA-N 1 3 352.548 2.153 20 0 FEADHO CN1CCC(C[NH2+]Cc2cccc3c2OC(C)(C)C3)(N2CCOCC2)CC1 ZINC000414486540 559168085 /nfs/dbraw/zinc/16/80/85/559168085.db2.gz RDNHKQPSSMMOPN-UHFFFAOYSA-N 1 3 373.541 2.286 20 0 FEADHO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c(OC)c1 ZINC000414684771 559179395 /nfs/dbraw/zinc/17/93/95/559179395.db2.gz WQZJKHPKHPAGOX-YJBOKZPZSA-N 1 3 361.486 2.038 20 0 FEADHO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c(OC)c1 ZINC000414684771 559179396 /nfs/dbraw/zinc/17/93/96/559179396.db2.gz WQZJKHPKHPAGOX-YJBOKZPZSA-N 1 3 361.486 2.038 20 0 FEADHO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414741083 559183730 /nfs/dbraw/zinc/18/37/30/559183730.db2.gz HBEBPOXJZQJIEN-IXDOHACOSA-N 1 3 362.493 2.158 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H](C[NH2+]C)C3)c(C)c2)CC1 ZINC000414753308 559185061 /nfs/dbraw/zinc/18/50/61/559185061.db2.gz QJPREYGJQOTNSU-KRWDZBQOSA-N 1 3 359.518 2.210 20 0 FEADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000414754527 559185128 /nfs/dbraw/zinc/18/51/28/559185128.db2.gz GGSJYEWYEBBXTA-ROUUACIJSA-N 1 3 374.529 2.313 20 0 FEADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000414754527 559185129 /nfs/dbraw/zinc/18/51/29/559185129.db2.gz GGSJYEWYEBBXTA-ROUUACIJSA-N 1 3 374.529 2.313 20 0 FEADHO COc1ccc(CCC(=O)N2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000414754323 559185204 /nfs/dbraw/zinc/18/52/04/559185204.db2.gz XOBSBSLBESAZQU-MJGOQNOKSA-N 1 3 359.514 2.160 20 0 FEADHO C[C@@H]1C[C@H](CN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414761374 559185943 /nfs/dbraw/zinc/18/59/43/559185943.db2.gz SWDUULOBVOREEE-HZPDHXFCSA-N 1 3 364.921 2.284 20 0 FEADHO COc1ccc(-c2n[nH]cc2CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000414796225 559188012 /nfs/dbraw/zinc/18/80/12/559188012.db2.gz XPYPWVSNSMXIEO-QUCCMNQESA-N 1 3 356.470 2.414 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1 ZINC000414858625 559191282 /nfs/dbraw/zinc/19/12/82/559191282.db2.gz SDWLKXPBPQVTTE-IYBDPMFKSA-N 1 3 360.502 2.114 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)c1 ZINC000414865514 559191817 /nfs/dbraw/zinc/19/18/17/559191817.db2.gz DACCWRYGQPHVSN-UHFFFAOYSA-N 1 3 372.513 2.212 20 0 FEADHO O=C1CC[C@@H](NCc2ccc(OC(F)F)cc2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414990509 559199258 /nfs/dbraw/zinc/19/92/58/559199258.db2.gz PGPNEPFHTSPECH-WBVHZDCISA-N 1 3 353.413 2.024 20 0 FEADHO Fc1ccccc1-c1n[nH]cc1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414990743 559199381 /nfs/dbraw/zinc/19/93/81/559199381.db2.gz ROZOTSDJSOHWTH-OAHLLOKOSA-N 1 3 371.382 2.142 20 0 FEADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CNCCCO1 ZINC000415038977 559201965 /nfs/dbraw/zinc/20/19/65/559201965.db2.gz MUIGYHVQZMKSSK-CHWSQXEVSA-N 1 3 359.392 2.391 20 0 FEADHO CCOC1CC(CN[C@H](C)C[C@H]2CCCCC[NH2+]2)(N2CCOCC2)C1 ZINC000415094182 559204873 /nfs/dbraw/zinc/20/48/73/559204873.db2.gz DGJLFQURIHZVBH-UVHRUJRTSA-N 1 3 353.551 2.157 20 0 FEADHO COc1ccccc1CC(=O)N1CCC(N[C@@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000415100294 559205406 /nfs/dbraw/zinc/20/54/06/559205406.db2.gz HUUMBEZGXZBDBL-QFBILLFUSA-N 1 3 359.514 2.349 20 0 FEADHO CCOC1CC(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)(N2CCOCC2)C1 ZINC000415103796 559205481 /nfs/dbraw/zinc/20/54/81/559205481.db2.gz KBHUDOWHXQSHME-BJTVZRGDSA-N 1 3 373.541 2.339 20 0 FEADHO O=C1N[C@H]2CN(CCSCc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415132940 559207354 /nfs/dbraw/zinc/20/73/54/559207354.db2.gz BLCKJEGJDNAQRR-RBUKOAKNSA-N 1 3 374.554 2.140 20 0 FEADHO C[C@@H](NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[C@@H](c1ccccc1)N(C)C ZINC000415151047 559209219 /nfs/dbraw/zinc/20/92/19/559209219.db2.gz FCBCZAHQKQLZNX-KHYOSLBOSA-N 1 3 368.481 2.452 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1CNC ZINC000415164308 559210797 /nfs/dbraw/zinc/21/07/97/559210797.db2.gz KYMBUATXPYUGJI-HKUYNNGSSA-N 1 3 374.529 2.361 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H](N)c2ccccc2)cc1 ZINC000415399034 559231294 /nfs/dbraw/zinc/23/12/94/559231294.db2.gz XUWYLTRRRFCVJC-IBGZPJMESA-N 1 3 368.481 2.283 20 0 FEADHO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415416659 559233286 /nfs/dbraw/zinc/23/32/86/559233286.db2.gz UAEMPPYXSRYVOY-QGZVFWFLSA-N 1 3 372.513 2.117 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])c2)CC1 ZINC000415498245 559243727 /nfs/dbraw/zinc/24/37/27/559243727.db2.gz MNNXFZSFTANROA-VQIMIIECSA-N 1 3 359.518 2.420 20 0 FEADHO C[NH2+]Cc1ccccc1NC(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1 ZINC000415907355 559282095 /nfs/dbraw/zinc/28/20/95/559282095.db2.gz BJAFGHZXUUHQRR-QGZVFWFLSA-N 1 3 372.469 2.351 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c1 ZINC000415930369 559283011 /nfs/dbraw/zinc/28/30/11/559283011.db2.gz IYAWUESMOIADMR-IBGZPJMESA-N 1 3 361.534 2.190 20 0 FEADHO [NH3+]Cc1cc(NC(=O)N[C@@H]2CCCN(CCCO)C2)cc(C(F)(F)F)c1 ZINC000415967231 559285745 /nfs/dbraw/zinc/28/57/45/559285745.db2.gz HITPORFMEKRFLL-CQSZACIVSA-N 1 3 374.407 2.132 20 0 FEADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416008959 559288787 /nfs/dbraw/zinc/28/87/87/559288787.db2.gz OGXSJAMQHBEMPG-AWEZNQCLSA-N 1 3 360.424 2.476 20 0 FEADHO CN(C)[C@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccccc1 ZINC000416805650 559333287 /nfs/dbraw/zinc/33/32/87/559333287.db2.gz LESCYDRIEWQEOE-XUVXKRRUSA-N 1 3 352.482 2.426 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)N2CCCC2)cc1 ZINC000416832188 559334337 /nfs/dbraw/zinc/33/43/37/559334337.db2.gz VUHRFPRTGAAGOS-CVEARBPZSA-N 1 3 370.444 2.114 20 0 FEADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CNCCC2(F)F)cc1 ZINC000416880859 559336234 /nfs/dbraw/zinc/33/62/34/559336234.db2.gz FFOZJZJLGIEDQP-INIZCTEOSA-N 1 3 354.445 2.325 20 0 FEADHO CN(C)Cc1ccc(CNC(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000416896812 559337079 /nfs/dbraw/zinc/33/70/79/559337079.db2.gz WQJLROXYQNJAEV-UHFFFAOYSA-N 1 3 354.498 2.461 20 0 FEADHO CCN(CC)[C@H](CNC(=O)NC[C@H]([NH3+])C(C)C)c1cccc(OC)c1 ZINC000416905917 559337575 /nfs/dbraw/zinc/33/75/75/559337575.db2.gz GTFHYRRZHDBLLK-ZWKOTPCHSA-N 1 3 350.507 2.361 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)N1C[C@H](C)NC[C@H]1C)c1cccc(OC)c1 ZINC000416922486 559338539 /nfs/dbraw/zinc/33/85/39/559338539.db2.gz MRLJSNXBFMPALK-FRQCXROJSA-N 1 3 362.518 2.470 20 0 FEADHO O=C(NCCC1=CC[NH2+]CC1)NC1CCN(CCc2ccccc2)CC1 ZINC000416972520 559341188 /nfs/dbraw/zinc/34/11/88/559341188.db2.gz IOHGPULUILEPSF-UHFFFAOYSA-N 1 3 356.514 2.303 20 0 FEADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416975801 559341340 /nfs/dbraw/zinc/34/13/40/559341340.db2.gz OQWLFQFFIFQFRP-SFHVURJKSA-N 1 3 350.507 2.142 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000417003767 559343170 /nfs/dbraw/zinc/34/31/70/559343170.db2.gz BWHBLIZERMTQDX-HSALFYBXSA-N 1 3 356.514 2.359 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417203166 559352756 /nfs/dbraw/zinc/35/27/56/559352756.db2.gz YJAATGDFLKFGHC-NRFANRHFSA-N 1 3 368.525 2.372 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3CCC([NH3+])CC3)CC2)cc1 ZINC000417324635 559357563 /nfs/dbraw/zinc/35/75/63/559357563.db2.gz CRUSYORHEZUMKJ-UHFFFAOYSA-N 1 3 360.502 2.040 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417366650 559359583 /nfs/dbraw/zinc/35/95/83/559359583.db2.gz PHJYFPNZOXGLKV-GOSISDBHSA-N 1 3 374.529 2.158 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000417495929 559364563 /nfs/dbraw/zinc/36/45/63/559364563.db2.gz VQZYNIGCTYUKSH-MOPGFXCFSA-N 1 3 362.518 2.137 20 0 FEADHO C[NH2+][C@@H]1CCCN(C(=O)N[C@H](CCN(C)CCOC)c2ccccc2)C1 ZINC000417499060 559364844 /nfs/dbraw/zinc/36/48/44/559364844.db2.gz DRVUHTURAXZMSA-RTBURBONSA-N 1 3 362.518 2.089 20 0 FEADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417584148 559367983 /nfs/dbraw/zinc/36/79/83/559367983.db2.gz AYYHVMZAUKXSNO-IBGZPJMESA-N 1 3 372.513 2.197 20 0 FEADHO C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)CC1 ZINC000417593728 559368685 /nfs/dbraw/zinc/36/86/85/559368685.db2.gz KVIAIWSBYXTPLS-KRWDZBQOSA-N 1 3 374.529 2.430 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417604135 559369106 /nfs/dbraw/zinc/36/91/06/559369106.db2.gz AWQOQQBWLIYBHI-DLBZAZTESA-N 1 3 366.575 2.132 20 0 FEADHO C[C@H]1[C@H](NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCCN1C ZINC000417993279 559385694 /nfs/dbraw/zinc/38/56/94/559385694.db2.gz AIXPRZFNMGCBEA-IAAVTCLWSA-N 1 3 362.493 2.301 20 0 FEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418033798 559387438 /nfs/dbraw/zinc/38/74/38/559387438.db2.gz NVFOEGQXBKHZLG-JKSUJKDBSA-N 1 3 356.461 2.425 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)C1CC1 ZINC000418141457 559391641 /nfs/dbraw/zinc/39/16/41/559391641.db2.gz LDABUAWXOBJQDP-JKSUJKDBSA-N 1 3 354.445 2.179 20 0 FEADHO C[C@H]1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C[C@@H]1C[NH3+] ZINC000418162672 559392435 /nfs/dbraw/zinc/39/24/35/559392435.db2.gz GMFXTBYJJQCGJX-WMZOPIPTSA-N 1 3 374.529 2.286 20 0 FEADHO CCCN(C(=O)NCc1ccc(OC2CCN(C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000418165291 559392604 /nfs/dbraw/zinc/39/26/04/559392604.db2.gz IHTLDPWIGGQODR-GOSISDBHSA-N 1 3 374.529 2.443 20 0 FEADHO CCCN(C(=O)NCc1ccc(OC2CCN(C)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000418165296 559392630 /nfs/dbraw/zinc/39/26/30/559392630.db2.gz IHTLDPWIGGQODR-SFHVURJKSA-N 1 3 374.529 2.443 20 0 FEADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2ccncc2OCCN(C)C)cc1 ZINC000418198998 559393745 /nfs/dbraw/zinc/39/37/45/559393745.db2.gz WLZKKEFOSCXNOO-OAHLLOKOSA-N 1 3 371.485 2.041 20 0 FEADHO CSC1(CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CCN(C)CC1 ZINC000418197679 559393829 /nfs/dbraw/zinc/39/38/29/559393829.db2.gz JXEMLYZRPADNDB-CQSZACIVSA-N 1 3 350.532 2.333 20 0 FEADHO O=C(NCCC[NH2+]C1CC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000418299522 559396826 /nfs/dbraw/zinc/39/68/26/559396826.db2.gz LDNXQDSQWOUZDQ-UHFFFAOYSA-N 1 3 358.530 2.479 20 0 FEADHO O=C(NCC[C@@H]1CC[NH2+]C1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418339643 559398163 /nfs/dbraw/zinc/39/81/63/559398163.db2.gz MOJCFJHDOWDTEU-RXVVDRJESA-N 1 3 356.514 2.294 20 0 FEADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000418352682 559398608 /nfs/dbraw/zinc/39/86/08/559398608.db2.gz MZVRANAUPCVMPE-OALUTQOASA-N 1 3 374.529 2.207 20 0 FEADHO O=C(N[C@H]1CCC[NH2+]C1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418372964 559399428 /nfs/dbraw/zinc/39/94/28/559399428.db2.gz BDEBHDBHGHQPHF-FPOVZHCZSA-N 1 3 356.514 2.436 20 0 FEADHO CN(C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])C1CCN(CCc2ccccn2)CC1 ZINC000418409825 559400532 /nfs/dbraw/zinc/40/05/32/559400532.db2.gz NYKSDGMQQKTNEN-FXAWDEMLSA-N 1 3 373.545 2.247 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC000418600450 559407358 /nfs/dbraw/zinc/40/73/58/559407358.db2.gz KVNHRARKTXTOAD-DZGCQCFKSA-N 1 3 354.445 2.179 20 0 FEADHO COC[C@@]1(CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000418661256 559410377 /nfs/dbraw/zinc/41/03/77/559410377.db2.gz YYECWXPNJYOSDK-CTNGQTDRSA-N 1 3 374.529 2.061 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000418662634 559410390 /nfs/dbraw/zinc/41/03/90/559410390.db2.gz DRBNTDIOPKRPIH-BXWFABGCSA-N 1 3 362.518 2.362 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418670746 559410759 /nfs/dbraw/zinc/41/07/59/559410759.db2.gz KSRFZDRTRIXFJF-XLIONFOSSA-N 1 3 374.529 2.361 20 0 FEADHO CN(C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000418727355 559412668 /nfs/dbraw/zinc/41/26/68/559412668.db2.gz MPNDAQFYJCPQKU-PWIZWCRZSA-N 1 3 374.504 2.397 20 0 FEADHO CN1CC[C@@]2(CCN(C(=O)NC[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)C2)C1 ZINC000418738292 559413110 /nfs/dbraw/zinc/41/31/10/559413110.db2.gz WYDSCJFPJJIQQM-FBBABVLZSA-N 1 3 374.504 2.256 20 0 FEADHO O=C(N[C@H]1CNCCC1(F)F)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418755477 559414204 /nfs/dbraw/zinc/41/42/04/559414204.db2.gz XNHNQVCZETWIPA-HOTGVXAUSA-N 1 3 358.477 2.281 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418786814 559416046 /nfs/dbraw/zinc/41/60/46/559416046.db2.gz IKIHUBBQZPEAIH-ZIFCJYIRSA-N 1 3 362.493 2.287 20 0 FEADHO NS(=O)(=O)c1ccc(CNCCCCC[NH+]2CCCC2)cc1Cl ZINC000419744128 559457501 /nfs/dbraw/zinc/45/75/01/559457501.db2.gz HZYJBVDXOJXCKK-UHFFFAOYSA-N 1 3 359.923 2.343 20 0 FEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCN1CCN(c2ccc(F)cc2)CC1 ZINC000422809320 559607280 /nfs/dbraw/zinc/60/72/80/559607280.db2.gz LYSKRAKNBIOFEL-MRXNPFEDSA-N 1 3 371.504 2.461 20 0 FEADHO COc1cc(C[C@H](CO)C[NH2+][C@H](C)c2ccc(CN)nc2C)cc(OC)c1 ZINC000422818094 559607326 /nfs/dbraw/zinc/60/73/26/559607326.db2.gz FPMVOCLSYJUFOD-PBHICJAKSA-N 1 3 373.497 2.368 20 0 FEADHO COc1ccc(Br)c(C(=O)NCCCN[C@H]2CCC[C@H]2[NH3+])c1 ZINC000422907518 559610682 /nfs/dbraw/zinc/61/06/82/559610682.db2.gz LLSUPHRKUPDAOG-CABCVRRESA-N 1 3 370.291 2.047 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000422928729 559611616 /nfs/dbraw/zinc/61/16/16/559611616.db2.gz MGZSXMKTDNKVHV-MSOLQXFVSA-N 1 3 353.532 2.467 20 0 FEADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000422939242 559612170 /nfs/dbraw/zinc/61/21/70/559612170.db2.gz LMGGYWURMKZOIR-ZWKOTPCHSA-N 1 3 351.516 2.221 20 0 FEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000422952351 559612677 /nfs/dbraw/zinc/61/26/77/559612677.db2.gz AQCABWQDQFUJIW-IUODEOHRSA-N 1 3 354.292 2.157 20 0 FEADHO CCOC1CC(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)(N2CCOCC2)C1 ZINC000423073593 559617536 /nfs/dbraw/zinc/61/75/36/559617536.db2.gz JEWHLOPLPZMNGY-NGWDBGEYSA-N 1 3 365.562 2.157 20 0 FEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423167870 559621705 /nfs/dbraw/zinc/62/17/05/559621705.db2.gz FXDWQRIGWRQCAX-WWGRRREGSA-N 1 3 359.283 2.456 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000423167870 559621706 /nfs/dbraw/zinc/62/17/06/559621706.db2.gz FXDWQRIGWRQCAX-WWGRRREGSA-N 1 3 359.283 2.456 20 0 FEADHO Brc1cccc2c1OCCC[C@H]2NCCN1CC[NH2+]CC1 ZINC000423202963 559622623 /nfs/dbraw/zinc/62/26/23/559622623.db2.gz LQRZDNOCOOWEBD-OAHLLOKOSA-N 1 3 354.292 2.158 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC2=CC[NH2+]CC2)cc1 ZINC000423347561 559626111 /nfs/dbraw/zinc/62/61/11/559626111.db2.gz QPMVECYGLBCNGD-HNNXBMFYSA-N 1 3 351.516 2.287 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)COC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000423388681 559627425 /nfs/dbraw/zinc/62/74/25/559627425.db2.gz KVGDIXZSQGMEPL-HKUYNNGSSA-N 1 3 359.514 2.267 20 0 FEADHO NC[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000423785910 559639376 /nfs/dbraw/zinc/63/93/76/559639376.db2.gz OWXSYHDPSDXPSJ-LJQANCHMSA-N 1 3 356.445 2.296 20 0 FEADHO C[C@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000423988447 559649203 /nfs/dbraw/zinc/64/92/03/559649203.db2.gz ATSKNYIXHZBDEP-RBUKOAKNSA-N 1 3 358.530 2.032 20 0 FEADHO CCC[C@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)N(C)C ZINC000424047107 559652544 /nfs/dbraw/zinc/65/25/44/559652544.db2.gz UJSVYWFHQFSNME-LJQANCHMSA-N 1 3 361.534 2.313 20 0 FEADHO CCC[C@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)N(C)C ZINC000424047107 559652545 /nfs/dbraw/zinc/65/25/45/559652545.db2.gz UJSVYWFHQFSNME-LJQANCHMSA-N 1 3 361.534 2.313 20 0 FEADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3cccc(C(=O)NCCN(C)C)c3)C[C@H]2C1 ZINC000424262441 559659699 /nfs/dbraw/zinc/65/96/99/559659699.db2.gz DKRXBPDATLEJEX-AVCFWEGKSA-N 1 3 359.514 2.271 20 0 FEADHO C[C@@H]1CC2(CN1CC(=O)NCCCOc1ccccc1F)CC[NH2+]CC2 ZINC000424287438 559660636 /nfs/dbraw/zinc/66/06/36/559660636.db2.gz ITWGFHNFYCYWOS-MRXNPFEDSA-N 1 3 363.477 2.175 20 0 FEADHO C[C@H]1CC2(CN1CC(=O)NCCCN(C)c1ccccc1)CC[NH2+]CC2 ZINC000424284701 559660737 /nfs/dbraw/zinc/66/07/37/559660737.db2.gz DQJVKZKFKHJIIX-SFHVURJKSA-N 1 3 358.530 2.093 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000424460877 559666173 /nfs/dbraw/zinc/66/61/73/559666173.db2.gz ZDYCZGPGUOPDJJ-MRXNPFEDSA-N 1 3 368.481 2.029 20 0 FEADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)[C@@H]2C1 ZINC000425669848 559713955 /nfs/dbraw/zinc/71/39/55/559713955.db2.gz DKLYWUMLWJGFMJ-XUVXKRRUSA-N 1 3 356.514 2.387 20 0 FEADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)[C@@H]2C1 ZINC000425669848 559713956 /nfs/dbraw/zinc/71/39/56/559713956.db2.gz DKLYWUMLWJGFMJ-XUVXKRRUSA-N 1 3 356.514 2.387 20 0 FEADHO CN1CCC(CCO)(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000427094198 559747688 /nfs/dbraw/zinc/74/76/88/559747688.db2.gz BHKXIFFWTBHZHX-UHFFFAOYSA-N 1 3 359.514 2.249 20 0 FEADHO CN1CCN(CCC(C)(C)NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000427204378 559750503 /nfs/dbraw/zinc/75/05/03/559750503.db2.gz NCTNPKWCMRFBMR-UHFFFAOYSA-N 1 3 352.567 2.031 20 0 FEADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000429022887 559789071 /nfs/dbraw/zinc/78/90/71/559789071.db2.gz CXCPHCQXZVLDSY-YXYSEUPNSA-N 1 3 372.557 2.068 20 0 FEADHO C[C@H]1C[C@@H]1[N@H+]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000429022887 559789072 /nfs/dbraw/zinc/78/90/72/559789072.db2.gz CXCPHCQXZVLDSY-YXYSEUPNSA-N 1 3 372.557 2.068 20 0 FEADHO N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000430697069 559826600 /nfs/dbraw/zinc/82/66/00/559826600.db2.gz KYRUSGCFQWQXQE-NRFANRHFSA-N 1 3 367.493 2.347 20 0 FEADHO [NH3+]CC1(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)CCCC1 ZINC000430781343 559828017 /nfs/dbraw/zinc/82/80/17/559828017.db2.gz CBYNQLGYCXSIFF-UHFFFAOYSA-N 1 3 363.477 2.304 20 0 FEADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000430915028 559830158 /nfs/dbraw/zinc/83/01/58/559830158.db2.gz BIORVPQHBTZJCB-QZTJIDSGSA-N 1 3 372.557 2.215 20 0 FEADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000430915027 559830221 /nfs/dbraw/zinc/83/02/21/559830221.db2.gz BIORVPQHBTZJCB-MSOLQXFVSA-N 1 3 372.557 2.215 20 0 FEADHO O=C(COc1ccccc1CN1CCC2(CC[NH2+]C2)CC1)N1CCCC1 ZINC000430954805 559831470 /nfs/dbraw/zinc/83/14/70/559831470.db2.gz GTLBHMDJMJVYCI-UHFFFAOYSA-N 1 3 357.498 2.263 20 0 FEADHO CN1CCN(Cc2ccc(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000431759115 559845408 /nfs/dbraw/zinc/84/54/08/559845408.db2.gz HXJUDLXOPCQDKM-NRFANRHFSA-N 1 3 372.557 2.315 20 0 FEADHO CN1CCN(Cc2ccc(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000431759115 559845409 /nfs/dbraw/zinc/84/54/09/559845409.db2.gz HXJUDLXOPCQDKM-NRFANRHFSA-N 1 3 372.557 2.315 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]CCCN2CCCO[C@H](C)C2)[C@H](C)C1 ZINC000432421161 559858383 /nfs/dbraw/zinc/85/83/83/559858383.db2.gz OEGGYBWVKPPLHW-AQNXPRMDSA-N 1 3 355.567 2.214 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000435026427 559914505 /nfs/dbraw/zinc/91/45/05/559914505.db2.gz ZWUFAKDSUOYART-MRXNPFEDSA-N 1 3 366.481 2.169 20 0 FEADHO CCOC(=O)Cn1nc(C)c(C[NH2+]CC2(CN(C)C)CCCC2)c1C ZINC000437987015 559972646 /nfs/dbraw/zinc/97/26/46/559972646.db2.gz NMPJJSKTGWMDTE-UHFFFAOYSA-N 1 3 350.507 2.275 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000440283161 560008030 /nfs/dbraw/zinc/00/80/30/560008030.db2.gz OMPOLNJMHPNADC-RTBURBONSA-N 1 3 351.535 2.353 20 0 FEADHO Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCCN1CCN(CCO)CC1 ZINC000443005286 560065739 /nfs/dbraw/zinc/06/57/39/560065739.db2.gz ZKASPGDZWOSXHY-UHFFFAOYSA-N 1 3 373.463 2.494 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000443227064 560075311 /nfs/dbraw/zinc/07/53/11/560075311.db2.gz OUEPDNBEULKDFO-HNNXBMFYSA-N 1 3 356.555 2.151 20 0 FEADHO C[C@H]1CN(CCOC2CCN(CCC[NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000444606586 560116659 /nfs/dbraw/zinc/11/66/59/560116659.db2.gz GMCNYGAFJWXHLR-PMACEKPBSA-N 1 3 367.578 2.453 20 0 FEADHO C[C@H]1CN(CCOC2CC[NH+](CCCN3CCCCC3)CC2)C[C@H](C)O1 ZINC000444606586 560116660 /nfs/dbraw/zinc/11/66/60/560116660.db2.gz GMCNYGAFJWXHLR-PMACEKPBSA-N 1 3 367.578 2.453 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000446293481 560143832 /nfs/dbraw/zinc/14/38/32/560143832.db2.gz OPRZWYYUFZSHQO-DBXWQHBBSA-N 1 3 363.546 2.290 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446575529 560147637 /nfs/dbraw/zinc/14/76/37/560147637.db2.gz JVOAZQIDQVRHBI-GOSISDBHSA-N 1 3 362.518 2.365 20 0 FEADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446615886 560148505 /nfs/dbraw/zinc/14/85/05/560148505.db2.gz RYZVMABWTLAREO-ROUUACIJSA-N 1 3 359.518 2.200 20 0 FEADHO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000449462203 560230972 /nfs/dbraw/zinc/23/09/72/560230972.db2.gz UVNFVGLLJOVFJI-NQIIRXRSSA-N 1 3 361.530 2.358 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000451223675 560294191 /nfs/dbraw/zinc/29/41/91/560294191.db2.gz VWMFINPOSXEDNT-OYRHEFFESA-N 1 3 372.557 2.171 20 0 FEADHO CC[C@H](C)N1CCN([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000451843445 560331897 /nfs/dbraw/zinc/33/18/97/560331897.db2.gz NVWFYLLTQHGUAK-ZVDOUQERSA-N 1 3 372.557 2.182 20 0 FEADHO CC[C@H](C)N1CCN([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000451843445 560331898 /nfs/dbraw/zinc/33/18/98/560331898.db2.gz NVWFYLLTQHGUAK-ZVDOUQERSA-N 1 3 372.557 2.182 20 0 FEADHO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000453137471 560383811 /nfs/dbraw/zinc/38/38/11/560383811.db2.gz GRCISNIETRAWHN-KRWDZBQOSA-N 1 3 367.497 2.023 20 0 FEADHO C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453618609 560391462 /nfs/dbraw/zinc/39/14/62/560391462.db2.gz ZRSQIAYDYDZFPS-HNAYVOBHSA-N 1 3 372.513 2.165 20 0 FEADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NCCN3CCCC3(C)C)ccc21 ZINC000454073203 560426882 /nfs/dbraw/zinc/42/68/82/560426882.db2.gz UXYLKALZIZPFJI-GOSISDBHSA-N 1 3 372.513 2.165 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1ccsc1 ZINC000454259302 560436666 /nfs/dbraw/zinc/43/66/66/560436666.db2.gz JZZBUQKGSAXWBJ-BHYGNILZSA-N 1 3 350.532 2.477 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1ccsc1 ZINC000454259302 560436667 /nfs/dbraw/zinc/43/66/67/560436667.db2.gz JZZBUQKGSAXWBJ-BHYGNILZSA-N 1 3 350.532 2.477 20 0 FEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000454613056 560451350 /nfs/dbraw/zinc/45/13/50/560451350.db2.gz STFLLPYYAYOROG-WMZOPIPTSA-N 1 3 356.580 2.233 20 0 FEADHO CC[C@H](C)N1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000456533321 560523467 /nfs/dbraw/zinc/52/34/67/560523467.db2.gz QVCPAUGSDPLBKH-IBGZPJMESA-N 1 3 358.530 2.141 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCCCC[N@@H+](C)C3CC3)CC2)c1 ZINC000457203972 560555876 /nfs/dbraw/zinc/55/58/76/560555876.db2.gz OSEWYCOFNZSLDE-UHFFFAOYSA-N 1 3 372.557 2.498 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCCCC[N@H+](C)C3CC3)CC2)c1 ZINC000457203972 560555877 /nfs/dbraw/zinc/55/58/77/560555877.db2.gz OSEWYCOFNZSLDE-UHFFFAOYSA-N 1 3 372.557 2.498 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000457701995 560582618 /nfs/dbraw/zinc/58/26/18/560582618.db2.gz DIFYNKMEDQMNHT-WSTZPKSXSA-N 1 3 350.551 2.482 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CC[C@]3(C2)CCCN(C)C3)C1 ZINC000457701995 560582619 /nfs/dbraw/zinc/58/26/19/560582619.db2.gz DIFYNKMEDQMNHT-WSTZPKSXSA-N 1 3 350.551 2.482 20 0 FEADHO C[C@@H]([NH2+]C1(CNC(=O)NC[C@]2(O)CCN(C)C2)CCCC1)c1ccccc1 ZINC000460272034 560739957 /nfs/dbraw/zinc/73/99/57/560739957.db2.gz UDCTXQKPGWZIKT-DYESRHJHSA-N 1 3 374.529 2.016 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccccc2F)CC[N@@H+]1C ZINC000466034036 560878741 /nfs/dbraw/zinc/87/87/41/560878741.db2.gz DSYJFYORYJYVFF-NVXWUHKLSA-N 1 3 350.482 2.382 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccccc2F)CC[N@H+]1C ZINC000466034036 560878742 /nfs/dbraw/zinc/87/87/42/560878742.db2.gz DSYJFYORYJYVFF-NVXWUHKLSA-N 1 3 350.482 2.382 20 0 FEADHO COc1cc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)ccc1OCC[NH+](C)C ZINC000469182270 560949199 /nfs/dbraw/zinc/94/91/99/560949199.db2.gz ZBWYICGKSKZYBP-HOTGVXAUSA-N 1 3 363.502 2.125 20 0 FEADHO CCCCOc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000470000142 560971503 /nfs/dbraw/zinc/97/15/03/560971503.db2.gz PQPXKPUASUZXQV-QGZVFWFLSA-N 1 3 363.502 2.161 20 0 FEADHO NC(=O)[C@@H]1CCCN1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000470177793 560976149 /nfs/dbraw/zinc/97/61/49/560976149.db2.gz GCBVSHYLHBMFMY-VTHDOGFWSA-N 1 3 370.541 2.111 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000472049662 561016799 /nfs/dbraw/zinc/01/67/99/561016799.db2.gz XLECUXLJXOWPBO-RDPOXOKHSA-N 1 3 368.525 2.243 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000472049662 561016800 /nfs/dbraw/zinc/01/68/00/561016800.db2.gz XLECUXLJXOWPBO-RDPOXOKHSA-N 1 3 368.525 2.243 20 0 FEADHO CCN(CCC[NH+]1CCCC1)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000472113972 561018567 /nfs/dbraw/zinc/01/85/67/561018567.db2.gz ZDVQWWZLKHCNEN-UHFFFAOYSA-N 1 3 368.566 2.393 20 0 FEADHO CN1CCN(CCC(C)(C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000474810291 561083334 /nfs/dbraw/zinc/08/33/34/561083334.db2.gz RJXOQPRMVWZPAT-GOSISDBHSA-N 1 3 364.578 2.173 20 0 FEADHO CN1CCN(CCC(C)(C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000474810291 561083335 /nfs/dbraw/zinc/08/33/35/561083335.db2.gz RJXOQPRMVWZPAT-GOSISDBHSA-N 1 3 364.578 2.173 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000476744983 561127561 /nfs/dbraw/zinc/12/75/61/561127561.db2.gz XTCQIMWELFRIQB-KSZLIROESA-N 1 3 368.566 2.153 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000476744983 561127562 /nfs/dbraw/zinc/12/75/62/561127562.db2.gz XTCQIMWELFRIQB-KSZLIROESA-N 1 3 368.566 2.153 20 0 FEADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529339214 562370087 /nfs/dbraw/zinc/37/00/87/562370087.db2.gz NRQKOKLDTSABQB-QUCCMNQESA-N 1 3 374.529 2.049 20 0 FEADHO c1ccc(N2CCOCC2)c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530249690 562404202 /nfs/dbraw/zinc/40/42/02/562404202.db2.gz XQVNEQSRXNZKAT-FQEVSTJZSA-N 1 3 359.514 2.114 20 0 FEADHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(Br)s1 ZINC000531618171 562451818 /nfs/dbraw/zinc/45/18/18/562451818.db2.gz BLNFSRQEEMPRNF-UHFFFAOYSA-N 1 3 362.337 2.384 20 0 FEADHO COCC(=O)N1CCC([NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000531973649 562463075 /nfs/dbraw/zinc/46/30/75/562463075.db2.gz OHUMIAIRZLOQEQ-APWZRJJASA-N 1 3 351.535 2.257 20 0 FEADHO COCC(=O)N1CCC(NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000531973649 562463076 /nfs/dbraw/zinc/46/30/76/562463076.db2.gz OHUMIAIRZLOQEQ-APWZRJJASA-N 1 3 351.535 2.257 20 0 FEADHO COCC(=O)N1CCC([NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000531973650 562463098 /nfs/dbraw/zinc/46/30/98/562463098.db2.gz OHUMIAIRZLOQEQ-LPHOPBHVSA-N 1 3 351.535 2.257 20 0 FEADHO COCC(=O)N1CCC(NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000531973650 562463099 /nfs/dbraw/zinc/46/30/99/562463099.db2.gz OHUMIAIRZLOQEQ-LPHOPBHVSA-N 1 3 351.535 2.257 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(C(N)=O)CCCC2)CC1 ZINC000532041807 562464964 /nfs/dbraw/zinc/46/49/64/562464964.db2.gz TVPYZOFBLNXLCE-UHFFFAOYSA-N 1 3 358.530 2.354 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)NC(=O)NCc2ccccc2)C[C@@H]1C ZINC000532589916 562482516 /nfs/dbraw/zinc/48/25/16/562482516.db2.gz YYBCWFCLQTZIJW-WMZOPIPTSA-N 1 3 360.502 2.207 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)NC(=O)NCc2ccccc2)C[C@@H]1C ZINC000532589916 562482517 /nfs/dbraw/zinc/48/25/17/562482517.db2.gz YYBCWFCLQTZIJW-WMZOPIPTSA-N 1 3 360.502 2.207 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)Cc1ccccc1 ZINC000533811393 562518650 /nfs/dbraw/zinc/51/86/50/562518650.db2.gz CKNUTQOFWNSFBU-VQTJNVASSA-N 1 3 358.530 2.429 20 0 FEADHO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)C2)CC1 ZINC000535897515 562570514 /nfs/dbraw/zinc/57/05/14/562570514.db2.gz ATFNARJDBABAGF-RTWAWAEBSA-N 1 3 370.541 2.484 20 0 FEADHO CCC(CC)[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000540922370 562597044 /nfs/dbraw/zinc/59/70/44/562597044.db2.gz WSZWIXFIYIDVJA-QZTJIDSGSA-N 1 3 356.555 2.105 20 0 FEADHO O[C@H](CN[C@@H]1CCc2cccc(Br)c2C1)C[NH+]1CCCC1 ZINC000549723494 562638394 /nfs/dbraw/zinc/63/83/94/562638394.db2.gz VZJZSLYFDAGKSC-HUUCEWRRSA-N 1 3 353.304 2.353 20 0 FEADHO CN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CN2CCC1CC2 ZINC000556062122 674386860 /nfs/dbraw/zinc/38/68/60/674386860.db2.gz MPIVIGHBEDSUBA-RBSFLKMASA-N 1 3 361.452 2.448 20 0 FEADHO CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H]1CN2CCC1CC2 ZINC000556062122 674386863 /nfs/dbraw/zinc/38/68/63/674386863.db2.gz MPIVIGHBEDSUBA-RBSFLKMASA-N 1 3 361.452 2.448 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669110458 567881362 /nfs/dbraw/zinc/88/13/62/567881362.db2.gz ZHDQOERQWQLQHA-UYAOXDASSA-N 1 3 356.514 2.087 20 0 FEADHO CN1CCC(n2cc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cn2)CC1 ZINC000636856711 568147765 /nfs/dbraw/zinc/14/77/65/568147765.db2.gz XEJSVWIYGFKGKH-DODVFSASSA-N 1 3 360.506 2.287 20 0 FEADHO CN1CCC(n2cc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cn2)CC1 ZINC000636856711 568147767 /nfs/dbraw/zinc/14/77/67/568147767.db2.gz XEJSVWIYGFKGKH-DODVFSASSA-N 1 3 360.506 2.287 20 0 FEADHO C[NH+](C)CCCOc1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000604192830 568223882 /nfs/dbraw/zinc/22/38/82/568223882.db2.gz ZCLFEYWPKYFGEE-QGZVFWFLSA-N 1 3 360.502 2.053 20 0 FEADHO CC[N@@H+]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000604866852 568380301 /nfs/dbraw/zinc/38/03/01/568380301.db2.gz OYVQUBRZNLKHSS-UHFFFAOYSA-N 1 3 358.530 2.143 20 0 FEADHO CC[N@H+]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000604866852 568380302 /nfs/dbraw/zinc/38/03/02/568380302.db2.gz OYVQUBRZNLKHSS-UHFFFAOYSA-N 1 3 358.530 2.143 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000736266103 599484499 /nfs/dbraw/zinc/48/44/99/599484499.db2.gz FKMZOLVXEHNPAG-HNNXBMFYSA-N 1 3 368.489 2.259 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000736266103 599484501 /nfs/dbraw/zinc/48/45/01/599484501.db2.gz FKMZOLVXEHNPAG-HNNXBMFYSA-N 1 3 368.489 2.259 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000736266103 599484503 /nfs/dbraw/zinc/48/45/03/599484503.db2.gz FKMZOLVXEHNPAG-HNNXBMFYSA-N 1 3 368.489 2.259 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000736266103 599484505 /nfs/dbraw/zinc/48/45/05/599484505.db2.gz FKMZOLVXEHNPAG-HNNXBMFYSA-N 1 3 368.489 2.259 20 0 FEADHO Fc1cc(-c2nnn[n-]2)ccc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000826371833 608253587 /nfs/dbraw/zinc/25/35/87/608253587.db2.gz WLDFODDWMIADOU-UHFFFAOYSA-N 1 3 367.432 2.407 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@@H]1[NH+]1CCCC1 ZINC000811033506 674575028 /nfs/dbraw/zinc/57/50/28/674575028.db2.gz BSOYUKYYEOIHGH-HDMKZQKVSA-N 1 3 357.539 2.237 20 0 FEADHO O=C1CC[C@@H](NCc2nc3ccc(F)cc3s2)[C@H](C2CC[NH2+]CC2)N1 ZINC000560972035 674627953 /nfs/dbraw/zinc/62/79/53/674627953.db2.gz FPUXIDKVTVCULH-KDOFPFPSSA-N 1 3 362.474 2.172 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000811812351 674630042 /nfs/dbraw/zinc/63/00/42/674630042.db2.gz QRNVJYAZVNPFTF-GPMSIDNRSA-N 1 3 357.539 2.220 20 0 FEADHO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)COc1ccc(Cl)cc1 ZINC000563881471 674949523 /nfs/dbraw/zinc/94/95/23/674949523.db2.gz JGNNMKSWKLVTTE-YJBOKZPZSA-N 1 3 368.905 2.170 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)[C@@H]3CCCOC3)CC2)CC1 ZINC000569706786 670600455 /nfs/dbraw/zinc/60/04/55/670600455.db2.gz PIBOSFCADQFGHO-SJLPKXTDSA-N 1 3 351.535 2.114 20 0 FEADHO COC1CCN(CCNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000080075581 670615226 /nfs/dbraw/zinc/61/52/26/670615226.db2.gz KCKMUUJULNBBNA-QGZVFWFLSA-N 1 3 354.539 2.051 20 0 FEADHO COC1CCN(CCNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000080075581 670615229 /nfs/dbraw/zinc/61/52/29/670615229.db2.gz KCKMUUJULNBBNA-QGZVFWFLSA-N 1 3 354.539 2.051 20 0 FEADHO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)COc1ccccc1Cl ZINC000565712330 675145360 /nfs/dbraw/zinc/14/53/60/675145360.db2.gz PFOQJJUBWRYMQF-WBVHZDCISA-N 1 3 368.905 2.170 20 0 FEADHO CCCN(CC(C)(C)O)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000574289456 671223337 /nfs/dbraw/zinc/22/33/37/671223337.db2.gz DRVHPRUCYUVEBL-UHFFFAOYSA-N 1 3 353.551 2.192 20 0 FEADHO CN1CCN(CCCCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000579226074 671720723 /nfs/dbraw/zinc/72/07/23/671720723.db2.gz ZQICMRIHAMUULF-LJQANCHMSA-N 1 3 352.567 2.208 20 0 FEADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H]1CCCO1 ZINC000581893581 671947337 /nfs/dbraw/zinc/94/73/37/671947337.db2.gz VSYAIOUGZAMEMO-RTBURBONSA-N 1 3 351.535 2.257 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122906725 671972517 /nfs/dbraw/zinc/97/25/17/671972517.db2.gz NWYUJEPDFLVNRG-IRXDYDNUSA-N 1 3 354.539 2.049 20 0 FEADHO CC[C@@H](C)[C@](C)(O)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000582428876 672001448 /nfs/dbraw/zinc/00/14/48/672001448.db2.gz CEILUIXVMBQYOJ-OXQOHEQNSA-N 1 3 353.551 2.096 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582535501 672010927 /nfs/dbraw/zinc/01/09/27/672010927.db2.gz IGNLLFUTZBHPOC-SFHVURJKSA-N 1 3 366.575 2.133 20 0 FEADHO CCO[C@@H]1C[C@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)[C@H]1OC ZINC000679625062 672510687 /nfs/dbraw/zinc/51/06/87/672510687.db2.gz AHGXNZSGCXNCBM-QXAKKESOSA-N 1 3 367.921 2.374 20 0 FEADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000700802375 673056341 /nfs/dbraw/zinc/05/63/41/673056341.db2.gz IFXIJCCIZKXSQY-GVDBMIGSSA-N 1 3 355.523 2.332 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C[C@H]1N(C)C ZINC000597444786 673478342 /nfs/dbraw/zinc/47/83/42/673478342.db2.gz CERCAQRCCGWDJB-GUDVDZBRSA-N 1 3 361.555 2.370 20 0 FEADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@]1(O)CC[N@H+](C)C1 ZINC000545157593 673747539 /nfs/dbraw/zinc/74/75/39/673747539.db2.gz CVBYNESUAUFFGR-MLGOLLRUSA-N 1 3 359.392 2.079 20 0 FEADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000545157593 673747542 /nfs/dbraw/zinc/74/75/42/673747542.db2.gz CVBYNESUAUFFGR-MLGOLLRUSA-N 1 3 359.392 2.079 20 0 FEADHO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2sccc2CN(C)C)CC1 ZINC000615089605 676202306 /nfs/dbraw/zinc/20/23/06/676202306.db2.gz LGRVVRNTYSKSKN-AWEZNQCLSA-N 1 3 351.516 2.135 20 0 FEADHO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2sccc2CN(C)C)CC1 ZINC000615089605 676202308 /nfs/dbraw/zinc/20/23/08/676202308.db2.gz LGRVVRNTYSKSKN-AWEZNQCLSA-N 1 3 351.516 2.135 20 0 FEADHO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2sccc2CN(C)C)CC1 ZINC000615089606 676202402 /nfs/dbraw/zinc/20/24/02/676202402.db2.gz LGRVVRNTYSKSKN-CQSZACIVSA-N 1 3 351.516 2.135 20 0 FEADHO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2sccc2CN(C)C)CC1 ZINC000615089606 676202408 /nfs/dbraw/zinc/20/24/08/676202408.db2.gz LGRVVRNTYSKSKN-CQSZACIVSA-N 1 3 351.516 2.135 20 0 FEADHO NCc1cn([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc(Cl)cc3)C2)nn1 ZINC000566965008 675256370 /nfs/dbraw/zinc/25/63/70/675256370.db2.gz XUIMVYKUOISPAS-MRXNPFEDSA-N 1 3 362.865 2.056 20 0 FEADHO NCc1cn([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc(Cl)cc3)C2)nn1 ZINC000566965008 675256372 /nfs/dbraw/zinc/25/63/72/675256372.db2.gz XUIMVYKUOISPAS-MRXNPFEDSA-N 1 3 362.865 2.056 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000819182820 675267539 /nfs/dbraw/zinc/26/75/39/675267539.db2.gz QVYBGRRDVPWAJM-APWZRJJASA-N 1 3 357.539 2.220 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000819182820 675267544 /nfs/dbraw/zinc/26/75/44/675267544.db2.gz QVYBGRRDVPWAJM-APWZRJJASA-N 1 3 357.539 2.220 20 0 FEADHO C[NH+](C)CC1CN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000615506880 676217294 /nfs/dbraw/zinc/21/72/94/676217294.db2.gz QOMBWCFEVDBJIF-QGZVFWFLSA-N 1 3 351.441 2.164 20 0 FEADHO O=C(NCC[C@H]1CCC[NH2+]1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000568609910 675386156 /nfs/dbraw/zinc/38/61/56/675386156.db2.gz UHGDLFMAKFQRPY-WLYUNCDWSA-N 1 3 362.440 2.233 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc(Cl)n1 ZINC000825548406 675658387 /nfs/dbraw/zinc/65/83/87/675658387.db2.gz XDVXFJLBOXSKSW-FVQBIDKESA-N 1 3 350.894 2.424 20 0 FEADHO CCOc1ncc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1Cl ZINC000617505739 676289397 /nfs/dbraw/zinc/28/93/97/676289397.db2.gz ODFZEHONLSRPRV-ZDUSSCGKSA-N 1 3 356.898 2.136 20 0 FEADHO CCOc1ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1Cl ZINC000617505739 676289398 /nfs/dbraw/zinc/28/93/98/676289398.db2.gz ODFZEHONLSRPRV-ZDUSSCGKSA-N 1 3 356.898 2.136 20 0 FEADHO CN(CC1CN(C)C1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000618190060 676323981 /nfs/dbraw/zinc/32/39/81/676323981.db2.gz FPFBPTNZGOZJRW-QGZVFWFLSA-N 1 3 351.441 2.164 20 0 FEADHO CN(CC1CN(C)C1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000618190060 676323984 /nfs/dbraw/zinc/32/39/84/676323984.db2.gz FPFBPTNZGOZJRW-QGZVFWFLSA-N 1 3 351.441 2.164 20 0 FEADHO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2NCCOCCC[NH3+])cc1 ZINC000629534733 676858490 /nfs/dbraw/zinc/85/84/90/676858490.db2.gz ALLMZUJXMYIINA-ROUUACIJSA-N 1 3 354.516 2.035 20 0 FEADHO O[C@H](C[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)CN1CCCC1 ZINC000629561249 676859484 /nfs/dbraw/zinc/85/94/84/676859484.db2.gz HELYRAZPIIPPTP-QZTJIDSGSA-N 1 3 369.912 2.490 20 0 FEADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629565001 676859975 /nfs/dbraw/zinc/85/99/75/676859975.db2.gz NXYVLYHMRUYUDU-CQSZACIVSA-N 1 3 369.893 2.032 20 0 FEADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000629564999 676859994 /nfs/dbraw/zinc/85/99/94/676859994.db2.gz NXYVLYHMRUYUDU-AWEZNQCLSA-N 1 3 369.893 2.032 20 0 FEADHO [NH3+]C[C@H]1CN(CCc2cccc3c2OC(F)(F)O3)CC12CCOCC2 ZINC000631827781 676959221 /nfs/dbraw/zinc/95/92/21/676959221.db2.gz WLAPUEYOQXFBAS-AWEZNQCLSA-N 1 3 354.397 2.238 20 0 FEADHO COC[C@]1(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCCCN1 ZINC000638122266 677140504 /nfs/dbraw/zinc/14/05/04/677140504.db2.gz IMYDBEVVZRLWNN-IEZWGBDMSA-N 1 3 365.543 2.406 20 0 FEADHO COC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCCCN1 ZINC000638122266 677140505 /nfs/dbraw/zinc/14/05/05/677140505.db2.gz IMYDBEVVZRLWNN-IEZWGBDMSA-N 1 3 365.543 2.406 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccn(C(F)F)c2=O)[C@H](C)C1 ZINC000638593980 677147557 /nfs/dbraw/zinc/14/75/57/677147557.db2.gz BBQYKQMQLWMDLN-GDBMZVCRSA-N 1 3 357.445 2.470 20 0 FEADHO COc1cc(NC(=O)CC[NH2+][C@@H]2C[C@H](N)C2(C)C)c(OC)cc1Cl ZINC000641801156 677216040 /nfs/dbraw/zinc/21/60/40/677216040.db2.gz AQEBNSXKYMMUHH-LSDHHAIUSA-N 1 3 355.866 2.401 20 0 FEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345592 677480349 /nfs/dbraw/zinc/48/03/49/677480349.db2.gz GHXPWNZFJWTFNB-BDPHEOEISA-N 1 3 351.535 2.098 20 0 FEADHO CCC(C)(C)N1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000654545865 677587597 /nfs/dbraw/zinc/58/75/97/677587597.db2.gz HEQJDWQNETWXHT-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO CCC(C)(C)N1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000654545865 677587599 /nfs/dbraw/zinc/58/75/99/677587599.db2.gz HEQJDWQNETWXHT-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO C[N@@H+]1CCCN(CCCNCc2c(F)cncc2Br)CC1 ZINC000657349407 677996137 /nfs/dbraw/zinc/99/61/37/677996137.db2.gz FZJWGLAPFSLQSL-UHFFFAOYSA-N 1 3 359.287 2.100 20 0 FEADHO C[N@H+]1CCCN(CCCNCc2c(F)cncc2Br)CC1 ZINC000657349407 677996138 /nfs/dbraw/zinc/99/61/38/677996138.db2.gz FZJWGLAPFSLQSL-UHFFFAOYSA-N 1 3 359.287 2.100 20 0 FEADHO CN1CCC(C[NH2+]Cc2cc3ccncc3s2)(N2CCOCC2)CC1 ZINC000657491337 678004066 /nfs/dbraw/zinc/00/40/66/678004066.db2.gz YFPPNNSPJLDNIJ-UHFFFAOYSA-N 1 3 360.527 2.183 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCC1([NH3+])CCCC1 ZINC000659570703 678189490 /nfs/dbraw/zinc/18/94/90/678189490.db2.gz LTXHQONSCSSOLD-UHFFFAOYSA-N 1 3 354.445 2.310 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000660180785 678305116 /nfs/dbraw/zinc/30/51/16/678305116.db2.gz WAWANQFDWNPIDP-GOSISDBHSA-N 1 3 365.543 2.149 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000660180785 678305121 /nfs/dbraw/zinc/30/51/21/678305121.db2.gz WAWANQFDWNPIDP-GOSISDBHSA-N 1 3 365.543 2.149 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1ccc(F)c(F)c1 ZINC000664731077 678920639 /nfs/dbraw/zinc/92/06/39/678920639.db2.gz YSAHEQMYEQTCHO-AWEZNQCLSA-N 1 3 356.461 2.079 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1ccc(F)c(F)c1 ZINC000664731077 678920641 /nfs/dbraw/zinc/92/06/41/678920641.db2.gz YSAHEQMYEQTCHO-AWEZNQCLSA-N 1 3 356.461 2.079 20 0 FEADHO Cc1ccc(F)c(CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000665040188 678938587 /nfs/dbraw/zinc/93/85/87/678938587.db2.gz KCHIZWSBSONBHY-INIZCTEOSA-N 1 3 352.498 2.248 20 0 FEADHO Cc1ccc(F)c(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000665040188 678938589 /nfs/dbraw/zinc/93/85/89/678938589.db2.gz KCHIZWSBSONBHY-INIZCTEOSA-N 1 3 352.498 2.248 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000665763707 678982627 /nfs/dbraw/zinc/98/26/27/678982627.db2.gz JOJBOJRHQCXSRQ-NMDDUFOESA-N 1 3 350.551 2.336 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000665763707 678982629 /nfs/dbraw/zinc/98/26/29/678982629.db2.gz JOJBOJRHQCXSRQ-NMDDUFOESA-N 1 3 350.551 2.336 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000669573949 679243422 /nfs/dbraw/zinc/24/34/22/679243422.db2.gz RTNIUMGJYMUNOY-WPPJOMGTSA-N 1 3 362.440 2.089 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000669592739 679244410 /nfs/dbraw/zinc/24/44/10/679244410.db2.gz PUFZYJPJOWZYOZ-NVXWUHKLSA-N 1 3 350.532 2.453 20 0 FEADHO C[C@@H](NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000672884226 679398870 /nfs/dbraw/zinc/39/88/70/679398870.db2.gz QGYSCWDDURFFSX-RDTXWAMCSA-N 1 3 350.482 2.458 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)COCc2cccc(OC)c2)[C@@H](C)C1 ZINC000749345739 680041706 /nfs/dbraw/zinc/04/17/06/680041706.db2.gz DZVCRPMTXNDKQZ-QRFRQXIXSA-N 1 3 350.503 2.235 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)COCc2cccc(OC)c2)[C@@H](C)C1 ZINC000749345739 680041712 /nfs/dbraw/zinc/04/17/12/680041712.db2.gz DZVCRPMTXNDKQZ-QRFRQXIXSA-N 1 3 350.503 2.235 20 0 FEADHO Cc1ncsc1CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447388 680290071 /nfs/dbraw/zinc/29/00/71/680290071.db2.gz VSHBJWWMCMNENX-IXDOHACOSA-N 1 3 364.559 2.305 20 0 FEADHO Cc1ncsc1CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001024447388 680290076 /nfs/dbraw/zinc/29/00/76/680290076.db2.gz VSHBJWWMCMNENX-IXDOHACOSA-N 1 3 364.559 2.305 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3ccc(Cl)nc3)C(C)(C)C2)CC[N@@H+]1C ZINC000995824766 680304540 /nfs/dbraw/zinc/30/45/40/680304540.db2.gz KACPHCKIRRNRDN-BMFZPTHFSA-N 1 3 364.921 2.402 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3ccc(Cl)nc3)C(C)(C)C2)CC[N@H+]1C ZINC000995824766 680304544 /nfs/dbraw/zinc/30/45/44/680304544.db2.gz KACPHCKIRRNRDN-BMFZPTHFSA-N 1 3 364.921 2.402 20 0 FEADHO Cc1nsc(C)c1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995827699 680304915 /nfs/dbraw/zinc/30/49/15/680304915.db2.gz VICRFQFJQGNUFD-FRFSOERESA-N 1 3 364.559 2.427 20 0 FEADHO Cc1nsc(C)c1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995827699 680304916 /nfs/dbraw/zinc/30/49/16/680304916.db2.gz VICRFQFJQGNUFD-FRFSOERESA-N 1 3 364.559 2.427 20 0 FEADHO Cc1ncsc1CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024966958 680307882 /nfs/dbraw/zinc/30/78/82/680307882.db2.gz IBUXUJASOYCWNH-BZUAXINKSA-N 1 3 350.532 2.262 20 0 FEADHO Cc1ncsc1CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001024966958 680307888 /nfs/dbraw/zinc/30/78/88/680307888.db2.gz IBUXUJASOYCWNH-BZUAXINKSA-N 1 3 350.532 2.262 20 0 FEADHO CCc1nc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cs1 ZINC001026856044 680351682 /nfs/dbraw/zinc/35/16/82/680351682.db2.gz SAONIEURLQUMKY-BHYGNILZSA-N 1 3 364.559 2.374 20 0 FEADHO CCc1nc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)cs1 ZINC001026856044 680351685 /nfs/dbraw/zinc/35/16/85/680351685.db2.gz SAONIEURLQUMKY-BHYGNILZSA-N 1 3 364.559 2.374 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(CCc3csc(C)n3)C2)CC[N@@H+]1C ZINC001028552975 680376153 /nfs/dbraw/zinc/37/61/53/680376153.db2.gz XGYFEERRTWNTPO-RYQLBKOJSA-N 1 3 364.559 2.162 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(CCc3csc(C)n3)C2)CC[N@H+]1C ZINC001028552975 680376156 /nfs/dbraw/zinc/37/61/56/680376156.db2.gz XGYFEERRTWNTPO-RYQLBKOJSA-N 1 3 364.559 2.162 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C[C@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC001029314034 680388239 /nfs/dbraw/zinc/38/82/39/680388239.db2.gz XPAUTMDFOGLTKG-BPKGMFCQSA-N 1 3 355.473 2.437 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C[C@H]2CCC(F)(F)C2)CC[N@H+]1C ZINC001029314034 680388242 /nfs/dbraw/zinc/38/82/42/680388242.db2.gz XPAUTMDFOGLTKG-BPKGMFCQSA-N 1 3 355.473 2.437 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C[C@@H]2CCC(F)(F)C2)CC[N@@H+]1C ZINC001029314035 680388330 /nfs/dbraw/zinc/38/83/30/680388330.db2.gz XPAUTMDFOGLTKG-OVYGPGRDSA-N 1 3 355.473 2.437 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C[C@@H]2CCC(F)(F)C2)CC[N@H+]1C ZINC001029314035 680388336 /nfs/dbraw/zinc/38/83/36/680388336.db2.gz XPAUTMDFOGLTKG-OVYGPGRDSA-N 1 3 355.473 2.437 20 0 FEADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3ccncc3Cl)C2)CC[N@@H+]1C ZINC000998795734 680389761 /nfs/dbraw/zinc/38/97/61/680389761.db2.gz LUJFGDZCBMFDTE-TWRYWWQQSA-N 1 3 350.894 2.154 20 0 FEADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3ccncc3Cl)C2)CC[N@H+]1C ZINC000998795734 680389762 /nfs/dbraw/zinc/38/97/62/680389762.db2.gz LUJFGDZCBMFDTE-TWRYWWQQSA-N 1 3 350.894 2.154 20 0 FEADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cccc(F)c3F)C2)CC[N@@H+]1C ZINC000998795605 680389964 /nfs/dbraw/zinc/38/99/64/680389964.db2.gz JTQMGDYGIGATPG-TWRYWWQQSA-N 1 3 351.441 2.384 20 0 FEADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cccc(F)c3F)C2)CC[N@H+]1C ZINC000998795605 680389969 /nfs/dbraw/zinc/38/99/69/680389969.db2.gz JTQMGDYGIGATPG-TWRYWWQQSA-N 1 3 351.441 2.384 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)Cc3ccc(Cl)nc3)C2)CC[N@@H+]1C ZINC001029741235 680390304 /nfs/dbraw/zinc/39/03/04/680390304.db2.gz MSGDUTWIRDOCSU-DJIMGWMZSA-N 1 3 364.921 2.356 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)Cc3ccc(Cl)nc3)C2)CC[N@H+]1C ZINC001029741235 680390310 /nfs/dbraw/zinc/39/03/10/680390310.db2.gz MSGDUTWIRDOCSU-DJIMGWMZSA-N 1 3 364.921 2.356 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3scnc3C)C2)CC[N@@H+]1C ZINC000999203756 680398921 /nfs/dbraw/zinc/39/89/21/680398921.db2.gz CLMCZLMHCOBYJB-HRCADAONSA-N 1 3 350.532 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3scnc3C)C2)CC[N@H+]1C ZINC000999203756 680398923 /nfs/dbraw/zinc/39/89/23/680398923.db2.gz CLMCZLMHCOBYJB-HRCADAONSA-N 1 3 350.532 2.262 20 0 FEADHO Cc1nsc(C)c1CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001045043241 680619859 /nfs/dbraw/zinc/61/98/59/680619859.db2.gz FJZOKTVZUXRUPW-VNQPRFMTSA-N 1 3 350.532 2.181 20 0 FEADHO Cc1nsc(C)c1CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001045043241 680619864 /nfs/dbraw/zinc/61/98/64/680619864.db2.gz FJZOKTVZUXRUPW-VNQPRFMTSA-N 1 3 350.532 2.181 20 0 FEADHO COc1cc(OC)c(NC(=O)CN(C)C2CCC([NH3+])CC2)cc1Cl ZINC000843353663 680999233 /nfs/dbraw/zinc/99/92/33/680999233.db2.gz HXXVBRCRFCOJBW-UHFFFAOYSA-N 1 3 355.866 2.497 20 0 FEADHO CN(CCOc1ccc(Cl)cc1)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000843364022 680999802 /nfs/dbraw/zinc/99/98/02/680999802.db2.gz KZVDFFXFYIRBIS-UHFFFAOYSA-N 1 3 365.905 2.253 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(Cc4ccns4)C[C@H]3CC2)CC[N@@H+]1C ZINC000946594947 681244304 /nfs/dbraw/zinc/24/43/04/681244304.db2.gz ATGMOEDKVQDTIF-XLMAVXFVSA-N 1 3 362.543 2.154 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(Cc4ccns4)C[C@H]3CC2)CC[N@H+]1C ZINC000946594947 681244312 /nfs/dbraw/zinc/24/43/12/681244312.db2.gz ATGMOEDKVQDTIF-XLMAVXFVSA-N 1 3 362.543 2.154 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000933076104 681359526 /nfs/dbraw/zinc/35/95/26/681359526.db2.gz DLXDTXYIIUFJGO-SFHVURJKSA-N 1 3 351.535 2.114 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1ccccc1C(F)(F)F ZINC000849067647 681649286 /nfs/dbraw/zinc/64/92/86/681649286.db2.gz SNXFTMDVQZZHLX-DOMZBBRYSA-N 1 3 358.408 2.337 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000849072781 681649890 /nfs/dbraw/zinc/64/98/90/681649890.db2.gz GJBROEZJQXRALV-ZBFHGGJFSA-N 1 3 358.408 2.035 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000913928644 685489135 /nfs/dbraw/zinc/48/91/35/685489135.db2.gz UQXNFIBMVQJQEY-OTWHNJEPSA-N 1 3 371.591 2.150 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000913928644 685489136 /nfs/dbraw/zinc/48/91/36/685489136.db2.gz UQXNFIBMVQJQEY-OTWHNJEPSA-N 1 3 371.591 2.150 20 0 FEADHO CN(C[C@](C)(O)C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000852108193 682220354 /nfs/dbraw/zinc/22/03/54/682220354.db2.gz WVJBNDQKZHJLBO-OALUTQOASA-N 1 3 355.523 2.022 20 0 FEADHO CN(C[C@](C)(O)C[N@H+]1CCC[C@@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000852108193 682220356 /nfs/dbraw/zinc/22/03/56/682220356.db2.gz WVJBNDQKZHJLBO-OALUTQOASA-N 1 3 355.523 2.022 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc(Cl)n1 ZINC000852925072 682357557 /nfs/dbraw/zinc/35/75/57/682357557.db2.gz YLWMJROJGBFABE-HZPDHXFCSA-N 1 3 368.909 2.003 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C2)CN(CCC(C)C)CCO3)CC[N@@H+]1C ZINC000972393665 682413273 /nfs/dbraw/zinc/41/32/73/682413273.db2.gz ZPLQXBGMOXBAPM-NLWGTHIKSA-N 1 3 351.535 2.066 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(C2)CN(CCC(C)C)CCO3)CC[N@H+]1C ZINC000972393665 682413276 /nfs/dbraw/zinc/41/32/76/682413276.db2.gz ZPLQXBGMOXBAPM-NLWGTHIKSA-N 1 3 351.535 2.066 20 0 FEADHO COC[C@H](C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1)OC ZINC000856607272 682794726 /nfs/dbraw/zinc/79/47/26/682794726.db2.gz ZZXNMFYXJYNQDP-OALUTQOASA-N 1 3 351.491 2.036 20 0 FEADHO COC[C@H](C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1)OC ZINC000856607272 682794728 /nfs/dbraw/zinc/79/47/28/682794728.db2.gz ZZXNMFYXJYNQDP-OALUTQOASA-N 1 3 351.491 2.036 20 0 FEADHO CNS(=O)(=O)c1ccc(CC[NH2+]C2CCN(CCC(C)C)CC2)cc1 ZINC000926805472 683172016 /nfs/dbraw/zinc/17/20/16/683172016.db2.gz AHFMVSMRZKOFFF-UHFFFAOYSA-N 1 3 367.559 2.237 20 0 FEADHO CC[C@@H](CNC(=S)NC1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000920308826 683332607 /nfs/dbraw/zinc/33/26/07/683332607.db2.gz GIFODEDXPPIVMZ-IBGZPJMESA-N 1 3 360.571 2.382 20 0 FEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cn(C)nc3C(F)F)C2)[C@@H]1C(C)C ZINC000922392124 683713343 /nfs/dbraw/zinc/71/33/43/683713343.db2.gz BNGMOGAAKGCPJR-AHEZYBDSSA-N 1 3 356.461 2.317 20 0 FEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cn(C)nc3C(F)F)C2)[C@@H]1C(C)C ZINC000922392124 683713348 /nfs/dbraw/zinc/71/33/48/683713348.db2.gz BNGMOGAAKGCPJR-AHEZYBDSSA-N 1 3 356.461 2.317 20 0 FEADHO [NH3+]CC[C@@H]1CCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000923480622 684288052 /nfs/dbraw/zinc/28/80/52/684288052.db2.gz ARVUTHARERKEBZ-CZUORRHYSA-N 1 3 353.413 2.454 20 0 FEADHO C[C@@H]1CN(CC(=O)N(C)Cc2ccccc2Br)CC[C@H]1C[NH3+] ZINC000923502620 684294231 /nfs/dbraw/zinc/29/42/31/684294231.db2.gz CUHXPLSACVCQFM-KGLIPLIRSA-N 1 3 368.319 2.324 20 0 FEADHO CNS(=O)(=O)c1ccc(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000923507550 684294474 /nfs/dbraw/zinc/29/44/74/684294474.db2.gz QRSGZURVXMYZNQ-QGZVFWFLSA-N 1 3 365.543 2.196 20 0 FEADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)c1 ZINC000924931183 684507600 /nfs/dbraw/zinc/50/76/00/684507600.db2.gz FWMOWQKZWMPTBW-YRWFTTLQSA-N 1 3 350.503 2.404 20 0 FEADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000925337454 684550849 /nfs/dbraw/zinc/55/08/49/684550849.db2.gz JAQNNCQYCQWGDA-OWCLPIDISA-N 1 3 365.547 2.007 20 0 FEADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000925337454 684550853 /nfs/dbraw/zinc/55/08/53/684550853.db2.gz JAQNNCQYCQWGDA-OWCLPIDISA-N 1 3 365.547 2.007 20 0 FEADHO C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000925595030 684572062 /nfs/dbraw/zinc/57/20/62/684572062.db2.gz QBZFFONYRMYPAN-CWRNSKLLSA-N 1 3 353.532 2.494 20 0 FEADHO C[N@@H+]1CC[C@H]2CN(C(=O)NCC3(N4CCSCC4)CCCC3)CC[C@H]21 ZINC000875099975 685730877 /nfs/dbraw/zinc/73/08/77/685730877.db2.gz CYUXGHNMSYYADG-DLBZAZTESA-N 1 3 366.575 2.084 20 0 FEADHO C[N@H+]1CC[C@H]2CN(C(=O)NCC3(N4CCSCC4)CCCC3)CC[C@H]21 ZINC000875099975 685730882 /nfs/dbraw/zinc/73/08/82/685730882.db2.gz CYUXGHNMSYYADG-DLBZAZTESA-N 1 3 366.575 2.084 20 0 FEADHO CCN(CC)[C@H](CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000876715080 686251261 /nfs/dbraw/zinc/25/12/61/686251261.db2.gz HFWTYVYSWNUIMA-CGTJXYLNSA-N 1 3 351.466 2.142 20 0 FEADHO Clc1csc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000876991311 686306137 /nfs/dbraw/zinc/30/61/37/686306137.db2.gz KYXCDNBDLXXXIG-UHFFFAOYSA-N 1 3 351.907 2.493 20 0 FEADHO [NH3+][C@H]1C[C@H](CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000877243320 686342780 /nfs/dbraw/zinc/34/27/80/686342780.db2.gz HUCVFLMLGCWOJA-ZOBUZTSGSA-N 1 3 355.404 2.295 20 0 FEADHO CCOC(=O)N1CCC(C)(CN2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000877641985 686428090 /nfs/dbraw/zinc/42/80/90/686428090.db2.gz CWJBSXIQAFUNJY-QGZVFWFLSA-N 1 3 355.523 2.288 20 0 FEADHO C[N@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)C1(CN)CCCCC1 ZINC000883454696 687634001 /nfs/dbraw/zinc/63/40/01/687634001.db2.gz JCAKILNTCLOJOB-UHFFFAOYSA-N 1 3 351.516 2.221 20 0 FEADHO C[N@@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)C1(CN)CCCCC1 ZINC000883454696 687634006 /nfs/dbraw/zinc/63/40/06/687634006.db2.gz JCAKILNTCLOJOB-UHFFFAOYSA-N 1 3 351.516 2.221 20 0 FEADHO C[NH+]1CCC(NC(=O)CN2CCCC[C@H]2CC2(O)CCCCC2)CC1 ZINC000887034002 688360108 /nfs/dbraw/zinc/36/01/08/688360108.db2.gz DEQHWUGAMFHLJS-SFHVURJKSA-N 1 3 351.535 2.137 20 0 FEADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000892609839 689217937 /nfs/dbraw/zinc/21/79/37/689217937.db2.gz BJEJCZZTWVTWRT-ZWKOTPCHSA-N 1 3 352.450 2.350 20 0 FEADHO COC(=O)c1cc(CNCC2(O)CC[NH+](C(C)C)CC2)[nH]c1C(C)C ZINC000894330464 689510664 /nfs/dbraw/zinc/51/06/64/689510664.db2.gz OCUDIKGRRXMLEO-UHFFFAOYSA-N 1 3 351.491 2.250 20 0 FEADHO Cn1ncc(I)c1CNC(C)(C)CCC[NH+](C)C ZINC000894905109 689616664 /nfs/dbraw/zinc/61/66/64/689616664.db2.gz NUQYHBKJINZXNY-UHFFFAOYSA-N 1 3 364.275 2.235 20 0 FEADHO C[C@H](N[C@@H]1Cc2cc(Br)cnc2NC1=O)C1CC[NH+](C)CC1 ZINC000903325235 690882363 /nfs/dbraw/zinc/88/23/63/690882363.db2.gz KPKFUIYZLNMVCI-IINYFYTJSA-N 1 3 367.291 2.027 20 0 FEADHO CCO[C@@H](C)c1nc(CN2CCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2)cs1 ZINC000903446105 690894218 /nfs/dbraw/zinc/89/42/18/690894218.db2.gz SYIMYTQCVCNIKV-XHSDSOJGSA-N 1 3 352.548 2.486 20 0 FEADHO COc1ccc(CN(C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1OC(F)F ZINC000903725054 690967302 /nfs/dbraw/zinc/96/73/02/690967302.db2.gz VQZRXTDTVBSKJY-KDOFPFPSSA-N 1 3 356.413 2.497 20 0 FEADHO FC1(F)CCNC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000903954550 690989247 /nfs/dbraw/zinc/98/92/47/690989247.db2.gz DXKCOQMLPQRBMW-ZDUSSCGKSA-N 1 3 350.369 2.140 20 0 FEADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cc(Cl)cc2c1OCC2 ZINC000904444651 691028938 /nfs/dbraw/zinc/02/89/38/691028938.db2.gz RHEGOJMITNJTKJ-STQMWFEESA-N 1 3 351.878 2.123 20 0 FEADHO [NH3+]Cc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ncn1 ZINC001164904276 721696911 /nfs/dbraw/zinc/69/69/11/721696911.db2.gz FCSLIKYXQQKAJY-SFHVURJKSA-N 1 3 374.439 2.068 20 0 FEADHO Cc1nnc2n1C[C@H]([NH2+][C@@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000359903783 210195754 /nfs/dbraw/zinc/19/57/54/210195754.db2.gz VKQDBEYHEIZUEM-ZGXWSNOMSA-N 1 3 351.498 2.402 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3Cc4ccccc4S3)CC2)CC1 ZINC000050799655 540414744 /nfs/dbraw/zinc/41/47/44/540414744.db2.gz CEAOBZZHNZOPAB-LJQANCHMSA-N 1 3 359.539 2.378 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCOC3CCCC3)CC2)CC1 ZINC000051301365 540430024 /nfs/dbraw/zinc/43/00/24/540430024.db2.gz NULRXANTEXBSNW-UHFFFAOYSA-N 1 3 366.550 2.194 20 0 FEADHO C[C@@H](c1ccccc1Br)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178804 541158441 /nfs/dbraw/zinc/15/84/41/541158441.db2.gz VMWSWSLKZOEUDO-STQMWFEESA-N 1 3 354.292 2.297 20 0 FEADHO C[NH+](C)C1(CNC(=O)NC2CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000073028090 541910720 /nfs/dbraw/zinc/91/07/20/541910720.db2.gz KEAFAEDICOFHEX-UHFFFAOYSA-N 1 3 374.529 2.061 20 0 FEADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000073473458 541956427 /nfs/dbraw/zinc/95/64/27/541956427.db2.gz DGCRHYATGDXAIP-IBGZPJMESA-N 1 3 363.546 2.498 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000073700643 541987757 /nfs/dbraw/zinc/98/77/57/541987757.db2.gz FKQHMYMTDYGGGE-WOJBJXKFSA-N 1 3 356.514 2.185 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC000073700643 541987761 /nfs/dbraw/zinc/98/77/61/541987761.db2.gz FKQHMYMTDYGGGE-WOJBJXKFSA-N 1 3 356.514 2.185 20 0 FEADHO CN1[C@@H]2CC[C@H]1CCN(C(=O)NC[C@@H]1CC[N@H+](CCc3ccccc3)C1)C2 ZINC000074084654 542034499 /nfs/dbraw/zinc/03/44/99/542034499.db2.gz PISNBEXXHYLEER-PCCBWWKXSA-N 1 3 370.541 2.429 20 0 FEADHO CN1[C@@H]2CC[C@H]1CCN(C(=O)NC[C@@H]1CC[N@@H+](CCc3ccccc3)C1)C2 ZINC000074084654 542034502 /nfs/dbraw/zinc/03/45/02/542034502.db2.gz PISNBEXXHYLEER-PCCBWWKXSA-N 1 3 370.541 2.429 20 0 FEADHO CCc1nc(CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cs1 ZINC000074137147 542042362 /nfs/dbraw/zinc/04/23/62/542042362.db2.gz CDAHQFRARQMARO-INIZCTEOSA-N 1 3 367.563 2.263 20 0 FEADHO CCc1nc(CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cs1 ZINC000074137147 542042366 /nfs/dbraw/zinc/04/23/66/542042366.db2.gz CDAHQFRARQMARO-INIZCTEOSA-N 1 3 367.563 2.263 20 0 FEADHO COc1ccccc1COC[C@@H](O)C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000075860575 542210281 /nfs/dbraw/zinc/21/02/81/542210281.db2.gz LYZBLOKAMQPWQV-OALUTQOASA-N 1 3 350.503 2.379 20 0 FEADHO COc1ccccc1COC[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000075860575 542210285 /nfs/dbraw/zinc/21/02/85/542210285.db2.gz LYZBLOKAMQPWQV-OALUTQOASA-N 1 3 350.503 2.379 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cc(F)ccc1F ZINC000079886145 542547325 /nfs/dbraw/zinc/54/73/25/542547325.db2.gz DHBMTXHERFJSCL-QGZVFWFLSA-N 1 3 353.457 2.382 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cc(F)ccc1F ZINC000079886145 542547329 /nfs/dbraw/zinc/54/73/29/542547329.db2.gz DHBMTXHERFJSCL-QGZVFWFLSA-N 1 3 353.457 2.382 20 0 FEADHO C[C@H]1C[C@H](NC[C@H]2CCCN2S(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000090799410 542788564 /nfs/dbraw/zinc/78/85/64/542788564.db2.gz ONOJRBWLDPTSOV-QXAKKESOSA-N 1 3 365.543 2.053 20 0 FEADHO C[C@H]1C[C@H](NC[C@H]2CCCN2S(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000090799410 542788565 /nfs/dbraw/zinc/78/85/65/542788565.db2.gz ONOJRBWLDPTSOV-QXAKKESOSA-N 1 3 365.543 2.053 20 0 FEADHO C[C@@H]1CN(C(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)O1 ZINC000092821087 542888160 /nfs/dbraw/zinc/88/81/60/542888160.db2.gz ADTOGGZYPKPEQZ-QZTJIDSGSA-N 1 3 374.529 2.256 20 0 FEADHO CCN1CCN([C@@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3C)C2)CC1 ZINC000093132734 542911253 /nfs/dbraw/zinc/91/12/53/542911253.db2.gz JMKJTGHTTLVMTO-OAQYLSRUSA-N 1 3 353.514 2.393 20 0 FEADHO CCN1CCN([C@@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nc3C)C2)CC1 ZINC000093132734 542911257 /nfs/dbraw/zinc/91/12/57/542911257.db2.gz JMKJTGHTTLVMTO-OAQYLSRUSA-N 1 3 353.514 2.393 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000103303415 543102090 /nfs/dbraw/zinc/10/20/90/543102090.db2.gz PKZHYMXMYXWPBX-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO CCN1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000104923945 543150706 /nfs/dbraw/zinc/15/07/06/543150706.db2.gz ODSKOADESNRCRW-FQEVSTJZSA-N 1 3 359.514 2.134 20 0 FEADHO CCCC[N@H+](C)CC1CCN(CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000104946929 543152342 /nfs/dbraw/zinc/15/23/42/543152342.db2.gz XPGGNXRDFGZEBG-UHFFFAOYSA-N 1 3 352.523 2.151 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000104946929 543152345 /nfs/dbraw/zinc/15/23/45/543152345.db2.gz XPGGNXRDFGZEBG-UHFFFAOYSA-N 1 3 352.523 2.151 20 0 FEADHO C[NH+](C)C1(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CCOCC1 ZINC000114020114 543501170 /nfs/dbraw/zinc/50/11/70/543501170.db2.gz WCQKRDIPEIEDEZ-LJQANCHMSA-N 1 3 374.529 2.234 20 0 FEADHO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000552100267 674187592 /nfs/dbraw/zinc/18/75/92/674187592.db2.gz DKQOWSUXXOWIBM-OFQRWUPVSA-N 1 3 373.950 2.245 20 0 FEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000125860851 543905547 /nfs/dbraw/zinc/90/55/47/543905547.db2.gz YHEUSWSOTIIVDD-QGZVFWFLSA-N 1 3 350.507 2.473 20 0 FEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000125860851 543905550 /nfs/dbraw/zinc/90/55/50/543905550.db2.gz YHEUSWSOTIIVDD-QGZVFWFLSA-N 1 3 350.507 2.473 20 0 FEADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000130113471 544138984 /nfs/dbraw/zinc/13/89/84/544138984.db2.gz KSQKXRLBNHAZDD-IUODEOHRSA-N 1 3 354.292 2.251 20 0 FEADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000130113471 544138987 /nfs/dbraw/zinc/13/89/87/544138987.db2.gz KSQKXRLBNHAZDD-IUODEOHRSA-N 1 3 354.292 2.251 20 0 FEADHO C[C@H](Cn1cc(Br)cn1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132964848 544250394 /nfs/dbraw/zinc/25/03/94/544250394.db2.gz FXDUVVJIFSQYNO-ZIAGYGMSSA-N 1 3 371.323 2.125 20 0 FEADHO CC(C)COC[C@@H](O)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133301934 544264297 /nfs/dbraw/zinc/26/42/97/544264297.db2.gz CPVXSCAIWVBUKY-FQEVSTJZSA-N 1 3 363.546 2.340 20 0 FEADHO CC[C@]1(C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)CCC[NH2+]1 ZINC000134616822 544315635 /nfs/dbraw/zinc/31/56/35/544315635.db2.gz WLVHBVACLKUFNU-FUHIMQAGSA-N 1 3 351.535 2.257 20 0 FEADHO CC(C)[NH+]1CCC(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)CC1 ZINC000135557649 544353128 /nfs/dbraw/zinc/35/31/28/544353128.db2.gz SPZMHMPXIFNCAR-OAQYLSRUSA-N 1 3 373.541 2.380 20 0 FEADHO CN(C)CCOc1cc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccn1 ZINC000137310095 544388948 /nfs/dbraw/zinc/38/89/48/544388948.db2.gz XHXNDDZQNKIDEC-GOSISDBHSA-N 1 3 360.502 2.016 20 0 FEADHO CN(C)CCOc1cc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)ccn1 ZINC000137310095 544388951 /nfs/dbraw/zinc/38/89/51/544388951.db2.gz XHXNDDZQNKIDEC-GOSISDBHSA-N 1 3 360.502 2.016 20 0 FEADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC2CCN(CCOC)CC2)c1 ZINC000141312173 544412488 /nfs/dbraw/zinc/41/24/88/544412488.db2.gz NRCFOKWNQOODED-UHFFFAOYSA-N 1 3 362.518 2.048 20 0 FEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CCN(CCOC)CC2)c1 ZINC000141312173 544412490 /nfs/dbraw/zinc/41/24/90/544412490.db2.gz NRCFOKWNQOODED-UHFFFAOYSA-N 1 3 362.518 2.048 20 0 FEADHO C[C@@H]1CCC[C@@](CNC(=O)c2ccnc(OCCN(C)C)c2)([NH+](C)C)C1 ZINC000136579685 544374804 /nfs/dbraw/zinc/37/48/04/544374804.db2.gz OATWAXHLGSLOIL-OXQOHEQNSA-N 1 3 362.518 2.262 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000136751014 544378648 /nfs/dbraw/zinc/37/86/48/544378648.db2.gz UURXVXFOYKGVHG-ICSRJNTNSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000136751014 544378649 /nfs/dbraw/zinc/37/86/49/544378649.db2.gz UURXVXFOYKGVHG-ICSRJNTNSA-N 1 3 374.529 2.253 20 0 FEADHO CC(C)[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)N(C)C ZINC000150757840 544467420 /nfs/dbraw/zinc/46/74/20/544467420.db2.gz WPKWJVOCTNYZHW-MOPGFXCFSA-N 1 3 374.529 2.378 20 0 FEADHO CC(C)[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1)N(C)C ZINC000150757840 544467425 /nfs/dbraw/zinc/46/74/25/544467425.db2.gz WPKWJVOCTNYZHW-MOPGFXCFSA-N 1 3 374.529 2.378 20 0 FEADHO CC(C)[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)N(C)C ZINC000150757855 544467455 /nfs/dbraw/zinc/46/74/55/544467455.db2.gz WPKWJVOCTNYZHW-OALUTQOASA-N 1 3 374.529 2.378 20 0 FEADHO CC(C)[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1)N(C)C ZINC000150757855 544467459 /nfs/dbraw/zinc/46/74/59/544467459.db2.gz WPKWJVOCTNYZHW-OALUTQOASA-N 1 3 374.529 2.378 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCc3nc(C)nn3C2)CC1 ZINC000151884155 544592319 /nfs/dbraw/zinc/59/23/19/544592319.db2.gz AMWIDJJWABSNSB-IBGZPJMESA-N 1 3 368.529 2.223 20 0 FEADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000152413186 544650590 /nfs/dbraw/zinc/65/05/90/544650590.db2.gz JECXTEPTRURXJX-CVEARBPZSA-N 1 3 363.527 2.361 20 0 FEADHO CN(C)C[C@@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000154798401 544951113 /nfs/dbraw/zinc/95/11/13/544951113.db2.gz DSHUJMZOOIRCNK-GOSISDBHSA-N 1 3 356.470 2.055 20 0 FEADHO CC[N@@H+]1CC[C@@H](NCc2cccc(OCCN3CCOCC3)c2)[C@H](C)C1 ZINC000155160247 544996769 /nfs/dbraw/zinc/99/67/69/544996769.db2.gz PWGJNFNIZIAURV-WIYYLYMNSA-N 1 3 361.530 2.218 20 0 FEADHO CC[N@H+]1CC[C@@H](NCc2cccc(OCCN3CCOCC3)c2)[C@H](C)C1 ZINC000155160247 544996772 /nfs/dbraw/zinc/99/67/72/544996772.db2.gz PWGJNFNIZIAURV-WIYYLYMNSA-N 1 3 361.530 2.218 20 0 FEADHO CCN1CC[C@@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)[C@H](C)C1 ZINC000155160247 544996774 /nfs/dbraw/zinc/99/67/74/544996774.db2.gz PWGJNFNIZIAURV-WIYYLYMNSA-N 1 3 361.530 2.218 20 0 FEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000154875469 544960259 /nfs/dbraw/zinc/96/02/59/544960259.db2.gz KCESRAXWIBZDJH-WMZOPIPTSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC000154875469 544960262 /nfs/dbraw/zinc/96/02/62/544960262.db2.gz KCESRAXWIBZDJH-WMZOPIPTSA-N 1 3 351.535 2.257 20 0 FEADHO [NH3+]Cc1ccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000178875683 327613245 /nfs/dbraw/zinc/61/32/45/327613245.db2.gz KXLDCYPCTNKCQW-UHFFFAOYSA-N 1 3 366.509 2.478 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000187455469 328026768 /nfs/dbraw/zinc/02/67/68/328026768.db2.gz WTIKMYHLHJWZLU-NRFANRHFSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000187455469 328026769 /nfs/dbraw/zinc/02/67/69/328026769.db2.gz WTIKMYHLHJWZLU-NRFANRHFSA-N 1 3 372.557 2.041 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000187819390 328048140 /nfs/dbraw/zinc/04/81/40/328048140.db2.gz LGPPVKHIOPRKCD-UYAOXDASSA-N 1 3 358.530 2.490 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000189433627 328148112 /nfs/dbraw/zinc/14/81/12/328148112.db2.gz KAOUGYDNGBKHDJ-LJQANCHMSA-N 1 3 372.513 2.164 20 0 FEADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000189448531 328148737 /nfs/dbraw/zinc/14/87/37/328148737.db2.gz YLXZIEWFOSFKNK-GOSISDBHSA-N 1 3 360.502 2.067 20 0 FEADHO CC(C)N1CCN(CCC[NH+]2CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC000191440154 328265950 /nfs/dbraw/zinc/26/59/50/328265950.db2.gz ZYNLXTOWYCDHFQ-UHFFFAOYSA-N 1 3 364.578 2.127 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000193634144 328386767 /nfs/dbraw/zinc/38/67/67/328386767.db2.gz PKIJOVTYDVNCNR-UHFFFAOYSA-N 1 3 372.513 2.021 20 0 FEADHO C[C@@H]1CCCN(CCNC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000079180957 325079885 /nfs/dbraw/zinc/07/98/85/325079885.db2.gz UNNRQKIZRBNONK-QGZVFWFLSA-N 1 3 362.518 2.158 20 0 FEADHO C[C@@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000237694542 328525225 /nfs/dbraw/zinc/52/52/25/328525225.db2.gz BGQICDODRKCXER-XLIONFOSSA-N 1 3 359.514 2.426 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000237719613 328526154 /nfs/dbraw/zinc/52/61/54/328526154.db2.gz ATGYZWTUEWKILE-AZUAARDMSA-N 1 3 358.530 2.141 20 0 FEADHO C[C@H](NC(=O)CCN1CCN(c2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000085290322 325249969 /nfs/dbraw/zinc/24/99/69/325249969.db2.gz IGACHWLLEBOIHT-SFHVURJKSA-N 1 3 360.546 2.291 20 0 FEADHO CCN1CCN(c2ccccc2C[NH+]2CCC(n3cncn3)CC2)CC1 ZINC000092648067 325422191 /nfs/dbraw/zinc/42/21/91/325422191.db2.gz XSLCXESACWIMRS-UHFFFAOYSA-N 1 3 354.502 2.257 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC[C@H](C)C[NH+]3CCCC3)cc2)CC1 ZINC000118776246 326101950 /nfs/dbraw/zinc/10/19/50/326101950.db2.gz UBMNBUIXHZMMLB-SFHVURJKSA-N 1 3 358.530 2.290 20 0 FEADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)c(OC)c1 ZINC000119422011 326160593 /nfs/dbraw/zinc/16/05/93/326160593.db2.gz FOWRAHJNKIYQJG-LSDHHAIUSA-N 1 3 361.486 2.495 20 0 FEADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)c(OC)c1 ZINC000119422011 326160596 /nfs/dbraw/zinc/16/05/96/326160596.db2.gz FOWRAHJNKIYQJG-LSDHHAIUSA-N 1 3 361.486 2.495 20 0 FEADHO CC(C)[C@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000119876166 326207555 /nfs/dbraw/zinc/20/75/55/326207555.db2.gz FFDVRMSVKGVZIE-NHCUHLMSSA-N 1 3 373.541 2.032 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(-n3cnnn3)cc2)[C@H](C)C1 ZINC000122331114 326392759 /nfs/dbraw/zinc/39/27/59/326392759.db2.gz CZVIJRIZHJHUNL-UWVAXJGDSA-N 1 3 372.517 2.450 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(-n3cnnn3)cc2)[C@H](C)C1 ZINC000122331114 326392760 /nfs/dbraw/zinc/39/27/60/326392760.db2.gz CZVIJRIZHJHUNL-UWVAXJGDSA-N 1 3 372.517 2.450 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)c1cccc(OC)c1 ZINC000133400181 326608138 /nfs/dbraw/zinc/60/81/38/326608138.db2.gz URGPUYQARJDGBA-AEFFLSMTSA-N 1 3 365.543 2.289 20 0 FEADHO O=C(C[C@H]1CSCC[NH2+]1)NCC1CCN(Cc2ccccc2F)CC1 ZINC000133740849 326614112 /nfs/dbraw/zinc/61/41/12/326614112.db2.gz XJYQSAWBNXPJAM-KRWDZBQOSA-N 1 3 365.518 2.249 20 0 FEADHO CCCC[N@H+](C)CCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000164035722 327063654 /nfs/dbraw/zinc/06/36/54/327063654.db2.gz VHCDMIUKZACGLC-UHFFFAOYSA-N 1 3 361.530 2.353 20 0 FEADHO CCCC[N@@H+](C)CCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000164035722 327063655 /nfs/dbraw/zinc/06/36/55/327063655.db2.gz VHCDMIUKZACGLC-UHFFFAOYSA-N 1 3 361.530 2.353 20 0 FEADHO CCc1nc2c(s1)[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)CCC2 ZINC000168926056 327087697 /nfs/dbraw/zinc/08/76/97/327087697.db2.gz LVFWQOQDOJSGFA-INIZCTEOSA-N 1 3 366.575 2.063 20 0 FEADHO Cc1cc([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cc(C)c1F ZINC000168960487 327087759 /nfs/dbraw/zinc/08/77/59/327087759.db2.gz SLTBZXVRAMGFIH-GOSISDBHSA-N 1 3 351.510 2.483 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000173298380 327248173 /nfs/dbraw/zinc/24/81/73/327248173.db2.gz MBUIOHZUJGROCF-XLIONFOSSA-N 1 3 361.530 2.416 20 0 FEADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H](N2CC=CC2)C1 ZINC000173781383 327283746 /nfs/dbraw/zinc/28/37/46/327283746.db2.gz DAJBCMRQOBZOPI-HXUWFJFHSA-N 1 3 354.498 2.438 20 0 FEADHO CSc1ccc(NC(=O)[C@@H](C)N(C)CCC[NH+]2CCN(C)CC2)cc1 ZINC000174729404 327346454 /nfs/dbraw/zinc/34/64/54/327346454.db2.gz RJPGVWDJDDGQRC-MRXNPFEDSA-N 1 3 364.559 2.305 20 0 FEADHO C[C@H](NC(=O)[C@H](C)N1CCCC[C@H](N2CCN(C)CC2)C1)c1ccccc1 ZINC000174883950 327357809 /nfs/dbraw/zinc/35/78/09/327357809.db2.gz KTLNJVFVJDTISC-ZJOUEHCJSA-N 1 3 372.557 2.354 20 0 FEADHO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(CN(C)C)ccc2C)CC1 ZINC000176087927 327433457 /nfs/dbraw/zinc/43/34/57/327433457.db2.gz COXGBXURKHUELM-UHFFFAOYSA-N 1 3 374.529 2.233 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000262051606 328838362 /nfs/dbraw/zinc/83/83/62/328838362.db2.gz MRJDVYQYLBVRPK-UHFFFAOYSA-N 1 3 353.532 2.339 20 0 FEADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000262251879 328854155 /nfs/dbraw/zinc/85/41/55/328854155.db2.gz DPGMNKRRRQTGMH-CABCVRRESA-N 1 3 373.501 2.358 20 0 FEADHO Cc1cc(NC(=O)C2(C[NH3+])CCOCC2)ccc1OCCN1CCCC1 ZINC000262278869 328856146 /nfs/dbraw/zinc/85/61/46/328856146.db2.gz NRJZXYXUJSKZSB-UHFFFAOYSA-N 1 3 361.486 2.164 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000262623463 328877173 /nfs/dbraw/zinc/87/71/73/328877173.db2.gz AFPQNNPBLKHPKD-RTBURBONSA-N 1 3 358.530 2.141 20 0 FEADHO O=C(NC1CCN(Cc2ccccc2)CC1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262735933 328885307 /nfs/dbraw/zinc/88/53/07/328885307.db2.gz ISAFEBCHBMYNCN-LJQANCHMSA-N 1 3 367.497 2.202 20 0 FEADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262811028 328891612 /nfs/dbraw/zinc/89/16/12/328891612.db2.gz QFSXIHUCIGERPW-AZUAARDMSA-N 1 3 367.497 2.375 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCN(C)C1CC1 ZINC000264787644 329061049 /nfs/dbraw/zinc/06/10/49/329061049.db2.gz CKJKFHVXLFHKBT-LJQANCHMSA-N 1 3 359.518 2.172 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCN(C)C1CC1 ZINC000264787644 329061051 /nfs/dbraw/zinc/06/10/51/329061051.db2.gz CKJKFHVXLFHKBT-LJQANCHMSA-N 1 3 359.518 2.172 20 0 FEADHO CCN(CC)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000265409239 329123951 /nfs/dbraw/zinc/12/39/51/329123951.db2.gz RWIRNVXTPYYSRU-UHFFFAOYSA-N 1 3 374.529 2.112 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000265507790 329134402 /nfs/dbraw/zinc/13/44/02/329134402.db2.gz FKBWPTDJAQRUMT-LJQANCHMSA-N 1 3 362.518 2.047 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000265507790 329134403 /nfs/dbraw/zinc/13/44/03/329134403.db2.gz FKBWPTDJAQRUMT-LJQANCHMSA-N 1 3 362.518 2.047 20 0 FEADHO C[NH+]1CCC(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)CC1 ZINC000267894790 329366443 /nfs/dbraw/zinc/36/64/43/329366443.db2.gz VRXAJRDRXATDPR-UHFFFAOYSA-N 1 3 363.477 2.127 20 0 FEADHO CN(C)[C@@]1(CNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)CCSC1 ZINC000269244151 329500091 /nfs/dbraw/zinc/50/00/91/329500091.db2.gz SIVXPOOCQHBRCK-LJQANCHMSA-N 1 3 360.527 2.157 20 0 FEADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000270637973 329617663 /nfs/dbraw/zinc/61/76/63/329617663.db2.gz FZBVNBWJLNZSBA-HXUWFJFHSA-N 1 3 370.541 2.095 20 0 FEADHO CCN(CCC[NH+](C)C)C(=O)NCc1ccccc1OCCN(C)C ZINC000276057699 330115249 /nfs/dbraw/zinc/11/52/49/330115249.db2.gz KEXVFUDSRDRBJP-UHFFFAOYSA-N 1 3 350.507 2.110 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(CCc3ccncc3)CC2)CC[N@@H+]1C ZINC000361441761 330203784 /nfs/dbraw/zinc/20/37/84/330203784.db2.gz VJWQHLARDGMCLW-XLIONFOSSA-N 1 3 373.545 2.213 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(CCc3ccncc3)CC2)CC[N@H+]1C ZINC000361441761 330203785 /nfs/dbraw/zinc/20/37/85/330203785.db2.gz VJWQHLARDGMCLW-XLIONFOSSA-N 1 3 373.545 2.213 20 0 FEADHO COCCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000367158536 330223969 /nfs/dbraw/zinc/22/39/69/330223969.db2.gz SQUYVPVCPGHUSG-IBGZPJMESA-N 1 3 366.550 2.194 20 0 FEADHO COCCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000367158536 330223971 /nfs/dbraw/zinc/22/39/71/330223971.db2.gz SQUYVPVCPGHUSG-IBGZPJMESA-N 1 3 366.550 2.194 20 0 FEADHO Cc1ccc([C@H](CNC(=O)CCCN2CCC([NH3+])CC2)N2CCCC2)cc1 ZINC000433148947 330273210 /nfs/dbraw/zinc/27/32/10/330273210.db2.gz SGEZZASGDHDJPL-NRFANRHFSA-N 1 3 372.557 2.451 20 0 FEADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000156451725 545628489 /nfs/dbraw/zinc/62/84/89/545628489.db2.gz KQXFMMPSHXBSQQ-LJQANCHMSA-N 1 3 373.545 2.055 20 0 FEADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000156451725 545628493 /nfs/dbraw/zinc/62/84/93/545628493.db2.gz KQXFMMPSHXBSQQ-LJQANCHMSA-N 1 3 373.545 2.055 20 0 FEADHO CN(C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCN(C2CC2)C1 ZINC000477407810 561144286 /nfs/dbraw/zinc/14/42/86/561144286.db2.gz PSHXXMDQIFRFEC-IBGZPJMESA-N 1 3 374.529 2.048 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000158627223 545879369 /nfs/dbraw/zinc/87/93/69/545879369.db2.gz COYRIZFYXGVMOP-LEWJYISDSA-N 1 3 372.557 2.356 20 0 FEADHO CC[NH+](CC)CCCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171326693 546204097 /nfs/dbraw/zinc/20/40/97/546204097.db2.gz QGLAMPCGTYFWGT-ROUUACIJSA-N 1 3 368.566 2.249 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000479792272 561197211 /nfs/dbraw/zinc/19/72/11/561197211.db2.gz YUPVSLOINKZUJC-LPHOPBHVSA-N 1 3 362.518 2.472 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000174243433 546294105 /nfs/dbraw/zinc/29/41/05/546294105.db2.gz KIQNDRDETSVKOD-RBUKOAKNSA-N 1 3 358.530 2.384 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000174243433 546294109 /nfs/dbraw/zinc/29/41/09/546294109.db2.gz KIQNDRDETSVKOD-RBUKOAKNSA-N 1 3 358.530 2.384 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cnn(CC2CC2)c1 ZINC000174483866 546297549 /nfs/dbraw/zinc/29/75/49/546297549.db2.gz GCWONKONSXHNMA-GOSISDBHSA-N 1 3 362.522 2.173 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cnn(CC2CC2)c1 ZINC000174483866 546297552 /nfs/dbraw/zinc/29/75/52/546297552.db2.gz GCWONKONSXHNMA-GOSISDBHSA-N 1 3 362.522 2.173 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000176058328 546399515 /nfs/dbraw/zinc/39/95/15/546399515.db2.gz RTGLYGUWPLBULN-UHFFFAOYSA-N 1 3 372.513 2.082 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000176420472 546443609 /nfs/dbraw/zinc/44/36/09/546443609.db2.gz FWMMCLFSWKMKAA-YQQQUEKLSA-N 1 3 366.550 2.190 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000176420472 546443611 /nfs/dbraw/zinc/44/36/11/546443611.db2.gz FWMMCLFSWKMKAA-YQQQUEKLSA-N 1 3 366.550 2.190 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000176611168 546467581 /nfs/dbraw/zinc/46/75/81/546467581.db2.gz VPGOZHLPRZJHKZ-GOSISDBHSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H](CN1CCCC1=O)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000177563554 546645375 /nfs/dbraw/zinc/64/53/75/546645375.db2.gz WEYNYCAWSKFRPA-KRWDZBQOSA-N 1 3 358.530 2.318 20 0 FEADHO CN(C)[C@]1(CNC(=O)NCCC[N@H+](C)C2CCCCC2)CCSC1 ZINC000481024625 561223200 /nfs/dbraw/zinc/22/32/00/561223200.db2.gz LMNNSRMTANEKRV-SFHVURJKSA-N 1 3 356.580 2.378 20 0 FEADHO CN(C)[C@]1(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)CCSC1 ZINC000481024625 561223201 /nfs/dbraw/zinc/22/32/01/561223201.db2.gz LMNNSRMTANEKRV-SFHVURJKSA-N 1 3 356.580 2.378 20 0 FEADHO C[C@H]1CN(CC2CCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)C[C@H](C)O1 ZINC000178740234 546841592 /nfs/dbraw/zinc/84/15/92/546841592.db2.gz VAEBPQPAYBACIV-ZWOKBUDYSA-N 1 3 359.514 2.077 20 0 FEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481694944 561238819 /nfs/dbraw/zinc/23/88/19/561238819.db2.gz TUUNXCLXMBVPGT-AEFFLSMTSA-N 1 3 356.580 2.378 20 0 FEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481694944 561238820 /nfs/dbraw/zinc/23/88/20/561238820.db2.gz TUUNXCLXMBVPGT-AEFFLSMTSA-N 1 3 356.580 2.378 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000179170460 546910363 /nfs/dbraw/zinc/91/03/63/546910363.db2.gz MYWNZHQEFDXVAS-UXHICEINSA-N 1 3 374.529 2.232 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC000179428996 546952243 /nfs/dbraw/zinc/95/22/43/546952243.db2.gz ZPPZDTCEWXLDJB-HXUWFJFHSA-N 1 3 373.541 2.265 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC000179428996 546952246 /nfs/dbraw/zinc/95/22/46/546952246.db2.gz ZPPZDTCEWXLDJB-HXUWFJFHSA-N 1 3 373.541 2.265 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cnn3ccccc23)CC1 ZINC000179584496 546981213 /nfs/dbraw/zinc/98/12/13/546981213.db2.gz WVPKKRGEZBBQCK-UHFFFAOYSA-N 1 3 371.529 2.250 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000484313078 561295998 /nfs/dbraw/zinc/29/59/98/561295998.db2.gz TVZDDZHPVDCXDZ-PBHICJAKSA-N 1 3 357.520 2.066 20 0 FEADHO CC[C@H](C)N[C@H](CNC(=O)NC1CC[NH+](CCOC)CC1)c1ccco1 ZINC000485410817 561318686 /nfs/dbraw/zinc/31/86/86/561318686.db2.gz XFGXTRKKIHJBTN-DOTOQJQBSA-N 1 3 366.506 2.119 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)Cc1ccccc1 ZINC000485465646 561319648 /nfs/dbraw/zinc/31/96/48/561319648.db2.gz OFNLAFNMNUSKSK-HSALFYBXSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)Cc1ccccc1 ZINC000485465646 561319649 /nfs/dbraw/zinc/31/96/49/561319649.db2.gz OFNLAFNMNUSKSK-HSALFYBXSA-N 1 3 358.530 2.285 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000485606432 561323858 /nfs/dbraw/zinc/32/38/58/561323858.db2.gz BWBQWPDLGIBJHW-SJLPKXTDSA-N 1 3 366.550 2.002 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000485606432 561323859 /nfs/dbraw/zinc/32/38/59/561323859.db2.gz BWBQWPDLGIBJHW-SJLPKXTDSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@]1(C(N)=O)CCCCN1CCCCCC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185890192 548052772 /nfs/dbraw/zinc/05/27/72/548052772.db2.gz GLLYBAFUBOZPLA-PMACEKPBSA-N 1 3 366.550 2.007 20 0 FEADHO C[C@@]1(C(N)=O)CCCCN1CCCCCC[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185890192 548052777 /nfs/dbraw/zinc/05/27/77/548052777.db2.gz GLLYBAFUBOZPLA-PMACEKPBSA-N 1 3 366.550 2.007 20 0 FEADHO CN1CCC[C@H](CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)[C@@H]1c1cccs1 ZINC000485795707 561328144 /nfs/dbraw/zinc/32/81/44/561328144.db2.gz XXIDGSDFHFWQLP-PMUMKWKESA-N 1 3 373.526 2.361 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000194019494 548423132 /nfs/dbraw/zinc/42/31/32/548423132.db2.gz XFRVWABISDYXNW-HSALFYBXSA-N 1 3 371.525 2.415 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000486812579 561357287 /nfs/dbraw/zinc/35/72/87/561357287.db2.gz WTFOBKFRHXKQLX-ILZDJORESA-N 1 3 359.514 2.403 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000486812579 561357288 /nfs/dbraw/zinc/35/72/88/561357288.db2.gz WTFOBKFRHXKQLX-ILZDJORESA-N 1 3 359.514 2.403 20 0 FEADHO COCCN1CCC(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000195142457 548583856 /nfs/dbraw/zinc/58/38/56/548583856.db2.gz SBGNUSGPWRUVQC-KRWDZBQOSA-N 1 3 354.539 2.051 20 0 FEADHO COCCN1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000195142457 548583858 /nfs/dbraw/zinc/58/38/58/548583858.db2.gz SBGNUSGPWRUVQC-KRWDZBQOSA-N 1 3 354.539 2.051 20 0 FEADHO CC1CC[NH+](Cc2ccc(CNC(=O)CNC[C@@H]3CCCO3)cc2)CC1 ZINC000236633848 548770294 /nfs/dbraw/zinc/77/02/94/548770294.db2.gz KTAAEKJEWINFFS-FQEVSTJZSA-N 1 3 359.514 2.303 20 0 FEADHO C[C@H]1CN(CCC2CCN(C(=O)CC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000237605301 548838732 /nfs/dbraw/zinc/83/87/32/548838732.db2.gz WQZHYAYLAWEFTD-IRXDYDNUSA-N 1 3 351.535 2.114 20 0 FEADHO O=C(CCC1CC[NH2+]CC1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000237954202 548867065 /nfs/dbraw/zinc/86/70/65/548867065.db2.gz DCXPMTKFGHSYRC-UHFFFAOYSA-N 1 3 372.557 2.090 20 0 FEADHO O=C(C[C@H]1CSCC[NH2+]1)NCC1CCN(Cc2cccs2)CC1 ZINC000238085639 548877147 /nfs/dbraw/zinc/87/71/47/548877147.db2.gz QHMWYVWWPBYZFJ-HNNXBMFYSA-N 1 3 353.557 2.171 20 0 FEADHO C[C@@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000245658893 548969794 /nfs/dbraw/zinc/96/97/94/548969794.db2.gz MHIMDPXVLZCWLE-LZWBSVMESA-N 1 3 362.562 2.017 20 0 FEADHO C[C@@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000245658893 548969796 /nfs/dbraw/zinc/96/97/96/548969796.db2.gz MHIMDPXVLZCWLE-LZWBSVMESA-N 1 3 362.562 2.017 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C[C@H](C)O)CC1 ZINC000246596050 549170913 /nfs/dbraw/zinc/17/09/13/549170913.db2.gz GWLQFSDDJPMNLW-PZJWPPBQSA-N 1 3 373.541 2.265 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C[C@H](C)O)CC1 ZINC000246596050 549170915 /nfs/dbraw/zinc/17/09/15/549170915.db2.gz GWLQFSDDJPMNLW-PZJWPPBQSA-N 1 3 373.541 2.265 20 0 FEADHO CC[N@@H+]1CC[C@@H](NCCC(=O)N2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247088129 549281322 /nfs/dbraw/zinc/28/13/22/549281322.db2.gz RJTPFGNXPCTSHH-AZUAARDMSA-N 1 3 358.530 2.045 20 0 FEADHO CC[N@H+]1CC[C@@H](NCCC(=O)N2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247088129 549281326 /nfs/dbraw/zinc/28/13/26/549281326.db2.gz RJTPFGNXPCTSHH-AZUAARDMSA-N 1 3 358.530 2.045 20 0 FEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)CC[C@H]21 ZINC000248165434 549412875 /nfs/dbraw/zinc/41/28/75/549412875.db2.gz SWJKIJUKDFEURR-TZIWHRDSSA-N 1 3 370.541 2.141 20 0 FEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)CC[C@H]21 ZINC000248165434 549412878 /nfs/dbraw/zinc/41/28/78/549412878.db2.gz SWJKIJUKDFEURR-TZIWHRDSSA-N 1 3 370.541 2.141 20 0 FEADHO C[C@@H]1CN(C(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)C[C@@H](C)O1 ZINC000248400832 549429343 /nfs/dbraw/zinc/42/93/43/549429343.db2.gz QUQOEQBTTNVRMX-NCXUSEDFSA-N 1 3 373.541 2.368 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248766185 549499512 /nfs/dbraw/zinc/49/95/12/549499512.db2.gz GXPPIEXALBNBQQ-GUDVDZBRSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248766185 549499514 /nfs/dbraw/zinc/49/95/14/549499514.db2.gz GXPPIEXALBNBQQ-GUDVDZBRSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261675776 549741750 /nfs/dbraw/zinc/74/17/50/549741750.db2.gz GOCHMJKRBNOAAE-UZLBHIALSA-N 1 3 359.514 2.289 20 0 FEADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261675776 549741753 /nfs/dbraw/zinc/74/17/53/549741753.db2.gz GOCHMJKRBNOAAE-UZLBHIALSA-N 1 3 359.514 2.289 20 0 FEADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CC[C@@](C)(C[NH3+])C1 ZINC000261724810 549747798 /nfs/dbraw/zinc/74/77/98/549747798.db2.gz JNVOXRDFMRPZDM-FQEVSTJZSA-N 1 3 355.486 2.488 20 0 FEADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000261724810 549747802 /nfs/dbraw/zinc/74/78/02/549747802.db2.gz JNVOXRDFMRPZDM-FQEVSTJZSA-N 1 3 355.486 2.488 20 0 FEADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC[C@@](C)(CN)C1 ZINC000261724810 549747804 /nfs/dbraw/zinc/74/78/04/549747804.db2.gz JNVOXRDFMRPZDM-FQEVSTJZSA-N 1 3 355.486 2.488 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000261867415 549764351 /nfs/dbraw/zinc/76/43/51/549764351.db2.gz XNEXPLFTMHVZHQ-ZCNNSNEGSA-N 1 3 359.514 2.066 20 0 FEADHO CCc1cccc(OCCN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261868149 549764438 /nfs/dbraw/zinc/76/44/38/549764438.db2.gz NVMLVZMWOYNPOS-AZUAARDMSA-N 1 3 359.514 2.208 20 0 FEADHO CC1(C)CN(C2(CNC(=O)CC[C@@H]3CC[NH2+]C3)CCCCC2)CCO1 ZINC000261916065 549769465 /nfs/dbraw/zinc/76/94/65/549769465.db2.gz XBBLTHNSRDISSV-QGZVFWFLSA-N 1 3 351.535 2.306 20 0 FEADHO C[C@@H]1CCCC[C@@H]1OCCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261939398 549771708 /nfs/dbraw/zinc/77/17/08/549771708.db2.gz XECKILSANDXTSI-XWSJACJDSA-N 1 3 351.535 2.162 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)C2(C[NH3+])CCOCC2)CCN1Cc1ccccc1 ZINC000262068338 549785396 /nfs/dbraw/zinc/78/53/96/549785396.db2.gz BJWZCESEPPBECI-IEBWSBKVSA-N 1 3 359.514 2.253 20 0 FEADHO COc1ccc(-c2ccncc2)cc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262128162 549791212 /nfs/dbraw/zinc/79/12/12/549791212.db2.gz NMWFNWVDHXBJMH-FQEVSTJZSA-N 1 3 352.482 2.237 20 0 FEADHO CC1(C)CN(C2(CNC(=O)C[C@@H]3CSCC[NH2+]3)CCCCC2)CCO1 ZINC000262801361 549851763 /nfs/dbraw/zinc/85/17/63/549851763.db2.gz PCWZKNIZSSRVRK-MRXNPFEDSA-N 1 3 369.575 2.011 20 0 FEADHO C[C@H](CC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)C1CC[NH2+]CC1 ZINC000263245937 549888914 /nfs/dbraw/zinc/88/89/14/549888914.db2.gz HQGKSAHVHPQLJS-KZNAEPCWSA-N 1 3 365.562 2.360 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC000263666418 549915955 /nfs/dbraw/zinc/91/59/55/549915955.db2.gz HVKBZDIRUFFADT-INIZCTEOSA-N 1 3 372.517 2.063 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC000263666418 549915957 /nfs/dbraw/zinc/91/59/57/549915957.db2.gz HVKBZDIRUFFADT-INIZCTEOSA-N 1 3 372.517 2.063 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)COc2ccccc2)[C@H](C)C1 ZINC000268743252 550111439 /nfs/dbraw/zinc/11/14/39/550111439.db2.gz DPEWGEBVSKFTKA-HBFSDRIKSA-N 1 3 350.503 2.153 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)COc2ccccc2)[C@H](C)C1 ZINC000268743252 550111442 /nfs/dbraw/zinc/11/14/42/550111442.db2.gz DPEWGEBVSKFTKA-HBFSDRIKSA-N 1 3 350.503 2.153 20 0 FEADHO CSC[C@H](C)N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000268984135 550140790 /nfs/dbraw/zinc/14/07/90/550140790.db2.gz DYBRAGNMGQDSAC-LSDHHAIUSA-N 1 3 373.588 2.319 20 0 FEADHO C[C@]1(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC000269404323 550191281 /nfs/dbraw/zinc/19/12/81/550191281.db2.gz FZCQNIZMSSGACE-FQEVSTJZSA-N 1 3 363.477 2.175 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@@H]2CCC[C@@]2(C)CO)CC1 ZINC000493412109 561455981 /nfs/dbraw/zinc/45/59/81/561455981.db2.gz MYACGHFHDNBJQJ-IRLDBZIGSA-N 1 3 373.541 2.216 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@@]2(C)CO)CC1 ZINC000493412109 561455982 /nfs/dbraw/zinc/45/59/82/561455982.db2.gz MYACGHFHDNBJQJ-IRLDBZIGSA-N 1 3 373.541 2.216 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)CC2)c1 ZINC000493537031 561456591 /nfs/dbraw/zinc/45/65/91/561456591.db2.gz PBXLZOZACHKZEV-PZJWPPBQSA-N 1 3 370.541 2.060 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)CC2)c1 ZINC000493537031 561456592 /nfs/dbraw/zinc/45/65/92/561456592.db2.gz PBXLZOZACHKZEV-PZJWPPBQSA-N 1 3 370.541 2.060 20 0 FEADHO Cc1cc2ncc([C@H](C)[NH2+]C3CCN([C@H]4CCC[C@@H]4O)CC3)c(C)n2n1 ZINC000271537280 550383666 /nfs/dbraw/zinc/38/36/66/550383666.db2.gz SCAINDZSDGUFOY-JVPBZIDWSA-N 1 3 357.502 2.375 20 0 FEADHO Cn1cc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000272720378 550466769 /nfs/dbraw/zinc/46/67/69/550466769.db2.gz XIAQCCGIZSNZAY-GFOJFJKKSA-N 1 3 354.498 2.344 20 0 FEADHO Cn1cc([C@H](O)CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000272720378 550466771 /nfs/dbraw/zinc/46/67/71/550466771.db2.gz XIAQCCGIZSNZAY-GFOJFJKKSA-N 1 3 354.498 2.344 20 0 FEADHO Cn1cc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000272720378 550466773 /nfs/dbraw/zinc/46/67/73/550466773.db2.gz XIAQCCGIZSNZAY-GFOJFJKKSA-N 1 3 354.498 2.344 20 0 FEADHO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272875940 550474768 /nfs/dbraw/zinc/47/47/68/550474768.db2.gz XAIBMKDJGIFLAN-IHPCNDPISA-N 1 3 360.498 2.409 20 0 FEADHO C[C@H](NC[C@H]1COC2(CCOCC2)O1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272875940 550474769 /nfs/dbraw/zinc/47/47/69/550474769.db2.gz XAIBMKDJGIFLAN-IHPCNDPISA-N 1 3 360.498 2.409 20 0 FEADHO C[C@H](NC[C@H]1COC2(CCOCC2)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272875940 550474770 /nfs/dbraw/zinc/47/47/70/550474770.db2.gz XAIBMKDJGIFLAN-IHPCNDPISA-N 1 3 360.498 2.409 20 0 FEADHO O=C(NC[C@@H]1CC[NH2+]C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000273065311 550483425 /nfs/dbraw/zinc/48/34/25/550483425.db2.gz UFRYIUBOIIWFGB-NVXWUHKLSA-N 1 3 355.404 2.167 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000273167785 550488109 /nfs/dbraw/zinc/48/81/09/550488109.db2.gz DDCOYWAXXISAPL-QGZVFWFLSA-N 1 3 360.546 2.217 20 0 FEADHO CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277546008 550682829 /nfs/dbraw/zinc/68/28/29/550682829.db2.gz UQZUMVFWYCWXQG-FQEVSTJZSA-N 1 3 374.529 2.013 20 0 FEADHO CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277546008 550682831 /nfs/dbraw/zinc/68/28/31/550682831.db2.gz UQZUMVFWYCWXQG-FQEVSTJZSA-N 1 3 374.529 2.013 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000495131772 561482799 /nfs/dbraw/zinc/48/27/99/561482799.db2.gz ZGOHZNNHZUWQRW-AEFFLSMTSA-N 1 3 366.550 2.144 20 0 FEADHO C[C@H]1CC[C@@](CO)(N(C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000495238503 561485235 /nfs/dbraw/zinc/48/52/35/561485235.db2.gz HNUYURCXSYIHKF-PGRDOPGGSA-N 1 3 373.541 2.382 20 0 FEADHO O=C(NCc1ccccc1CN1CCC(O)CC1)C1CC[NH+](C2CC2)CC1 ZINC000279286343 550873909 /nfs/dbraw/zinc/87/39/09/550873909.db2.gz YHOZYZWEOXZZOI-UHFFFAOYSA-N 1 3 371.525 2.134 20 0 FEADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)[C@@H]1C ZINC000280899322 551043813 /nfs/dbraw/zinc/04/38/13/551043813.db2.gz OHUJCTZGLBCHCK-HBFSDRIKSA-N 1 3 374.529 2.161 20 0 FEADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C(C)(C)n1cncn1 ZINC000280949854 551048696 /nfs/dbraw/zinc/04/86/96/551048696.db2.gz IONOPFTWNHOJQH-INIZCTEOSA-N 1 3 357.502 2.148 20 0 FEADHO COc1ccccc1-n1nccc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000281595778 551118056 /nfs/dbraw/zinc/11/80/56/551118056.db2.gz JPXYPFLXYCYJHJ-UHFFFAOYSA-N 1 3 358.486 2.206 20 0 FEADHO C[NH+](C)CC1(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CCC1 ZINC000281634658 551123436 /nfs/dbraw/zinc/12/34/36/551123436.db2.gz GVHVXXRYYKCAGW-UHFFFAOYSA-N 1 3 359.514 2.105 20 0 FEADHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000497835955 561509620 /nfs/dbraw/zinc/50/96/20/561509620.db2.gz LIURIRLUFBXDNS-KRWDZBQOSA-N 1 3 362.518 2.304 20 0 FEADHO CCCC[C@@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000498077721 561515758 /nfs/dbraw/zinc/51/57/58/561515758.db2.gz QQDODCWMIXOACA-GOSISDBHSA-N 1 3 351.466 2.303 20 0 FEADHO CN(C)CCOC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498338141 561522637 /nfs/dbraw/zinc/52/26/37/561522637.db2.gz YWMVCOMRIGIBHI-FQEVSTJZSA-N 1 3 373.541 2.468 20 0 FEADHO CN(C)CCOC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498338141 561522638 /nfs/dbraw/zinc/52/26/38/561522638.db2.gz YWMVCOMRIGIBHI-FQEVSTJZSA-N 1 3 373.541 2.468 20 0 FEADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000498592310 561529846 /nfs/dbraw/zinc/52/98/46/561529846.db2.gz KWKNPJVGUNINRN-GOSISDBHSA-N 1 3 356.580 2.331 20 0 FEADHO CC[NH+]1CCC(NC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC1 ZINC000285354496 551742960 /nfs/dbraw/zinc/74/29/60/551742960.db2.gz JYCWMIMGNJMCOG-UHFFFAOYSA-N 1 3 374.529 2.443 20 0 FEADHO C[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000287087348 551962062 /nfs/dbraw/zinc/96/20/62/551962062.db2.gz PEIGGUNQPKGJRV-JKSUJKDBSA-N 1 3 354.516 2.102 20 0 FEADHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc(-n2ccnn2)c1 ZINC000287685992 552034427 /nfs/dbraw/zinc/03/44/27/552034427.db2.gz MXYVWLPBWMUDOM-BEVDRBHNSA-N 1 3 355.486 2.296 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3COc4ccccc43)CC2)CC1 ZINC000288745844 552204851 /nfs/dbraw/zinc/20/48/51/552204851.db2.gz XSKXWQTTWMJELR-INIZCTEOSA-N 1 3 372.513 2.020 20 0 FEADHO CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000289160404 552275323 /nfs/dbraw/zinc/27/53/23/552275323.db2.gz SCUKMKZHJKBQPH-UHFFFAOYSA-N 1 3 360.502 2.021 20 0 FEADHO COC(=O)CC[C@@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000290099924 552427232 /nfs/dbraw/zinc/42/72/32/552427232.db2.gz XNSPTINJLRWIQC-NVXWUHKLSA-N 1 3 361.486 2.047 20 0 FEADHO C[N@H+](C[C@@H](O)COCc1ccco1)CC1CCN(c2ccncc2)CC1 ZINC000501050112 561588623 /nfs/dbraw/zinc/58/86/23/561588623.db2.gz KVIRAUHVIKNDBI-LJQANCHMSA-N 1 3 359.470 2.401 20 0 FEADHO C[N@@H+](C[C@@H](O)COCc1ccco1)CC1CCN(c2ccncc2)CC1 ZINC000501050112 561588624 /nfs/dbraw/zinc/58/86/24/561588624.db2.gz KVIRAUHVIKNDBI-LJQANCHMSA-N 1 3 359.470 2.401 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CCN1Cc1ccccc1 ZINC000291823464 552665251 /nfs/dbraw/zinc/66/52/51/552665251.db2.gz FIAWYNHIHDNEJI-LMNJBCLMSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CCN1Cc1ccccc1 ZINC000291823464 552665253 /nfs/dbraw/zinc/66/52/53/552665253.db2.gz FIAWYNHIHDNEJI-LMNJBCLMSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000292117083 552695515 /nfs/dbraw/zinc/69/55/15/552695515.db2.gz HLXBODITWMSXRW-RXVVDRJESA-N 1 3 372.557 2.212 20 0 FEADHO C[C@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@H+](C2CCC2)C1 ZINC000292117083 552695517 /nfs/dbraw/zinc/69/55/17/552695517.db2.gz HLXBODITWMSXRW-RXVVDRJESA-N 1 3 372.557 2.212 20 0 FEADHO CC(C)[N@@H+]1CCCN([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000292584044 552740471 /nfs/dbraw/zinc/74/04/71/552740471.db2.gz UPNVSOGFFSTMTH-PZJWPPBQSA-N 1 3 372.557 2.182 20 0 FEADHO CC(C)[N@H+]1CCCN([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000292584044 552740474 /nfs/dbraw/zinc/74/04/74/552740474.db2.gz UPNVSOGFFSTMTH-PZJWPPBQSA-N 1 3 372.557 2.182 20 0 FEADHO COc1cc(CN2CCC[C@H](CO)C2)cc(C[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000292604335 552742356 /nfs/dbraw/zinc/74/23/56/552742356.db2.gz LMKATQZIJOFLAX-ROUUACIJSA-N 1 3 362.514 2.104 20 0 FEADHO COc1cc(CN2CCC[C@H](CO)C2)cc(C[N@H+]2CCC[C@H](CO)C2)c1 ZINC000292604335 552742357 /nfs/dbraw/zinc/74/23/57/552742357.db2.gz LMKATQZIJOFLAX-ROUUACIJSA-N 1 3 362.514 2.104 20 0 FEADHO C[NH+]1CCC(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000292743150 552754315 /nfs/dbraw/zinc/75/43/15/552754315.db2.gz FCJWRRZQKZRAAX-FQEVSTJZSA-N 1 3 359.514 2.126 20 0 FEADHO COCCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000292865315 552766311 /nfs/dbraw/zinc/76/63/11/552766311.db2.gz RYCVVXJBMIQDIE-QKNQBKEWSA-N 1 3 362.514 2.031 20 0 FEADHO COCCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000292865315 552766313 /nfs/dbraw/zinc/76/63/13/552766313.db2.gz RYCVVXJBMIQDIE-QKNQBKEWSA-N 1 3 362.514 2.031 20 0 FEADHO CCC[NH2+][C@H](C)C(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000294696003 552927751 /nfs/dbraw/zinc/92/77/51/552927751.db2.gz AAEIULAWEYDQFC-XLIONFOSSA-N 1 3 361.530 2.279 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H](C)NC2CC2)cc1OC ZINC000296520599 553173171 /nfs/dbraw/zinc/17/31/71/553173171.db2.gz RYVCAKQSKTYLDG-HNNXBMFYSA-N 1 3 363.502 2.173 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)c2)CC1 ZINC000296906059 553227837 /nfs/dbraw/zinc/22/78/37/553227837.db2.gz ORYNCJCFKJICKX-NRFANRHFSA-N 1 3 371.529 2.388 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)c2)CC1 ZINC000296906059 553227839 /nfs/dbraw/zinc/22/78/39/553227839.db2.gz ORYNCJCFKJICKX-NRFANRHFSA-N 1 3 371.529 2.388 20 0 FEADHO Cc1cc(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cn2ccnc12 ZINC000297064616 553248879 /nfs/dbraw/zinc/24/88/79/553248879.db2.gz UACXHIAIVKJQQT-UHFFFAOYSA-N 1 3 358.490 2.132 20 0 FEADHO O[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)CN1CCc2ccccc2C1 ZINC000297400956 553287604 /nfs/dbraw/zinc/28/76/04/553287604.db2.gz KLWDHUFLWYDASM-JOCHJYFZSA-N 1 3 366.509 2.059 20 0 FEADHO CCN1CCN(CCC[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000297585791 553312048 /nfs/dbraw/zinc/31/20/48/553312048.db2.gz IUQKILFQZACUBY-LJQANCHMSA-N 1 3 360.546 2.029 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C)Cc2cccs2)[C@H](C)C1 ZINC000299331519 553549161 /nfs/dbraw/zinc/54/91/61/553549161.db2.gz OHJZNSSLAMLMBP-AEFFLSMTSA-N 1 3 367.559 2.433 20 0 FEADHO C[C@@H]1CCN(C)CCN1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000505365232 561669930 /nfs/dbraw/zinc/66/99/30/561669930.db2.gz AWCHOLNWJMDNIX-QGZVFWFLSA-N 1 3 374.529 2.395 20 0 FEADHO C[NH+](C)CCN(C(=O)CCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000505664002 561676711 /nfs/dbraw/zinc/67/67/11/561676711.db2.gz SIKWMXZPFQRHGU-UHFFFAOYSA-N 1 3 358.530 2.141 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCOc1ccccc1F ZINC000505836403 561682452 /nfs/dbraw/zinc/68/24/52/561682452.db2.gz DGAMNVCTGWTSSV-QGZVFWFLSA-N 1 3 365.493 2.469 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCOc1ccccc1F ZINC000505836403 561682453 /nfs/dbraw/zinc/68/24/53/561682453.db2.gz DGAMNVCTGWTSSV-QGZVFWFLSA-N 1 3 365.493 2.469 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)Cc1ccccc1 ZINC000510350937 561832327 /nfs/dbraw/zinc/83/23/27/561832327.db2.gz LPYITJWWTLWQAH-LJQANCHMSA-N 1 3 358.530 2.429 20 0 FEADHO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000333280277 554598077 /nfs/dbraw/zinc/59/80/77/554598077.db2.gz MHWYEQHYSZJNKB-OKZBNKHCSA-N 1 3 357.564 2.089 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333507670 554619451 /nfs/dbraw/zinc/61/94/51/554619451.db2.gz FANLEHSDFZHNDL-LJQANCHMSA-N 1 3 371.529 2.329 20 0 FEADHO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000333778224 554642190 /nfs/dbraw/zinc/64/21/90/554642190.db2.gz DHDUJZFNFMZTFN-GUDVDZBRSA-N 1 3 371.591 2.337 20 0 FEADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC3CCN(Cc4cccs4)CC3)C[C@H]12 ZINC000333858585 554650202 /nfs/dbraw/zinc/65/02/02/554650202.db2.gz YUQLOTASFHODDV-BPQIPLTHSA-N 1 3 362.543 2.339 20 0 FEADHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)NCC(=O)c1ccccc1 ZINC000511149222 561859544 /nfs/dbraw/zinc/85/95/44/561859544.db2.gz FFCWNTAHXMIBAZ-UHFFFAOYSA-N 1 3 357.498 2.183 20 0 FEADHO CN1CC[NH+](C[C@@H]2CCCN(CCC(=O)OCc3ccccc3)C2)CC1 ZINC000360443619 554875046 /nfs/dbraw/zinc/87/50/46/554875046.db2.gz CSRKVHFXDXXHGD-HXUWFJFHSA-N 1 3 359.514 2.079 20 0 FEADHO CN1CCC[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)[C@H]1c1cccs1 ZINC000361710705 554931064 /nfs/dbraw/zinc/93/10/64/554931064.db2.gz LVBWYIXKTKATPK-CPUCHLNUSA-N 1 3 353.557 2.342 20 0 FEADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000362175297 554954303 /nfs/dbraw/zinc/95/43/03/554954303.db2.gz BRXKEHISWBXWBE-AOIWGVFYSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[C@@H]1N1C[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)CC1=O ZINC000363914300 555212640 /nfs/dbraw/zinc/21/26/40/555212640.db2.gz QWTGRNUHHHJILA-BLIXFSHQSA-N 1 3 370.541 2.316 20 0 FEADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000363969040 555224005 /nfs/dbraw/zinc/22/40/05/555224005.db2.gz XMRCBROTTJSVAF-RDTXWAMCSA-N 1 3 362.543 2.494 20 0 FEADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000363969040 555224006 /nfs/dbraw/zinc/22/40/06/555224006.db2.gz XMRCBROTTJSVAF-RDTXWAMCSA-N 1 3 362.543 2.494 20 0 FEADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000364220166 555272826 /nfs/dbraw/zinc/27/28/26/555272826.db2.gz KVYHVJPEZJOGMJ-WAOWUJCRSA-N 1 3 359.514 2.287 20 0 FEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000364220166 555272828 /nfs/dbraw/zinc/27/28/28/555272828.db2.gz KVYHVJPEZJOGMJ-WAOWUJCRSA-N 1 3 359.514 2.287 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)N(C)C)cc1 ZINC000512427745 561904314 /nfs/dbraw/zinc/90/43/14/561904314.db2.gz WVHRHTSBKWAXGP-YJBOKZPZSA-N 1 3 350.507 2.326 20 0 FEADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000364732690 555388118 /nfs/dbraw/zinc/38/81/18/555388118.db2.gz GUXXNIPUDSFFJV-KURKYZTESA-N 1 3 366.550 2.002 20 0 FEADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCCN(Cc4cccnc4)C3)[C@H]2C1 ZINC000365021583 555467091 /nfs/dbraw/zinc/46/70/91/555467091.db2.gz ZFGIXEZTUGHZRM-ZCNNSNEGSA-N 1 3 371.529 2.029 20 0 FEADHO C[N@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCCN(Cc4cccnc4)C3)[C@H]2C1 ZINC000365021583 555467092 /nfs/dbraw/zinc/46/70/92/555467092.db2.gz ZFGIXEZTUGHZRM-ZCNNSNEGSA-N 1 3 371.529 2.029 20 0 FEADHO CCC[NH+]1CCC(N(C)C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000365416542 555569351 /nfs/dbraw/zinc/56/93/51/555569351.db2.gz STDRRZQAZINEKI-UHFFFAOYSA-N 1 3 351.535 2.354 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000365644030 555630351 /nfs/dbraw/zinc/63/03/51/555630351.db2.gz UZGIGZPQPXCFIF-QUCCMNQESA-N 1 3 356.514 2.185 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000365644030 555630352 /nfs/dbraw/zinc/63/03/52/555630352.db2.gz UZGIGZPQPXCFIF-QUCCMNQESA-N 1 3 356.514 2.185 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@](O)(C2CC2)C1 ZINC000365834056 555678480 /nfs/dbraw/zinc/67/84/80/555678480.db2.gz AEYBVZGGUJIYTI-VGSWGCGISA-N 1 3 371.525 2.003 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000513502768 561941055 /nfs/dbraw/zinc/94/10/55/561941055.db2.gz FGZJQDDIWWGZJN-LJQANCHMSA-N 1 3 354.502 2.257 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000513502768 561941056 /nfs/dbraw/zinc/94/10/56/561941056.db2.gz FGZJQDDIWWGZJN-LJQANCHMSA-N 1 3 354.502 2.257 20 0 FEADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000366322582 555811634 /nfs/dbraw/zinc/81/16/34/555811634.db2.gz JSBQTINKJWIWRH-UMQXSMKFSA-N 1 3 356.514 2.331 20 0 FEADHO C[N@H+](Cc1ccccc1)C1CCC(NCc2nnc3n2CCOC3)CC1 ZINC000367375006 556031552 /nfs/dbraw/zinc/03/15/52/556031552.db2.gz OOFALBQREDZMEI-UHFFFAOYSA-N 1 3 355.486 2.341 20 0 FEADHO C[N@@H+](Cc1ccccc1)C1CCC(NCc2nnc3n2CCOC3)CC1 ZINC000367375006 556031554 /nfs/dbraw/zinc/03/15/54/556031554.db2.gz OOFALBQREDZMEI-UHFFFAOYSA-N 1 3 355.486 2.341 20 0 FEADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@H]2CCCc3n[nH]cc32)cc1 ZINC000367625410 556099447 /nfs/dbraw/zinc/09/94/47/556099447.db2.gz XYFNINOKITZYLL-IBGZPJMESA-N 1 3 367.497 2.403 20 0 FEADHO C[C@H]1C[C@@H](C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)CC[N@@H+]1C ZINC000368234774 556254997 /nfs/dbraw/zinc/25/49/97/556254997.db2.gz FBIPRRMVKHJCKC-HOTGVXAUSA-N 1 3 359.514 2.484 20 0 FEADHO C[C@H]1C[C@@H](C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)CC[N@H+]1C ZINC000368234774 556255000 /nfs/dbraw/zinc/25/50/00/556255000.db2.gz FBIPRRMVKHJCKC-HOTGVXAUSA-N 1 3 359.514 2.484 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000515279258 562003177 /nfs/dbraw/zinc/00/31/77/562003177.db2.gz XBSPWLXZYNLUNQ-FXAWDEMLSA-N 1 3 359.514 2.090 20 0 FEADHO N=C(NO)[C@@H]1CCCCN1CCCCCCN1CCCC[C@H]1C(=[NH2+])NO ZINC000368526667 556335634 /nfs/dbraw/zinc/33/56/34/556335634.db2.gz MUQVVSGSMXQCCW-HOTGVXAUSA-N 1 3 368.526 2.168 20 0 FEADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000369025734 556480404 /nfs/dbraw/zinc/48/04/04/556480404.db2.gz FDLGTKNTWKODKR-PMACEKPBSA-N 1 3 374.529 2.191 20 0 FEADHO C[NH+](C)[C@H]1CCCN(C(=O)NC2CCN(Cc3cccs3)CC2)C1 ZINC000369047212 556488046 /nfs/dbraw/zinc/48/80/46/556488046.db2.gz LRMNGJWJBNOMNF-INIZCTEOSA-N 1 3 350.532 2.448 20 0 FEADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369194722 556532025 /nfs/dbraw/zinc/53/20/25/556532025.db2.gz GFJGVBNOQTWOTE-RTBURBONSA-N 1 3 359.518 2.029 20 0 FEADHO C[C@@H](NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)C(C)(C)C[NH+](C)C ZINC000369509686 556615000 /nfs/dbraw/zinc/61/50/00/556615000.db2.gz MFIBPNXTSJJMJK-NJAFHUGGSA-N 1 3 361.534 2.350 20 0 FEADHO CN1CC[C@@H](CNC(=O)NCC[N@H+](C)C2CCCC2)[C@@H]1c1cccnc1 ZINC000369573953 556635442 /nfs/dbraw/zinc/63/54/42/556635442.db2.gz BAQRYOVPCLYZJR-HKUYNNGSSA-N 1 3 359.518 2.248 20 0 FEADHO CN1CC[C@@H](CNC(=O)NCC[N@@H+](C)C2CCCC2)[C@@H]1c1cccnc1 ZINC000369573953 556635447 /nfs/dbraw/zinc/63/54/47/556635447.db2.gz BAQRYOVPCLYZJR-HKUYNNGSSA-N 1 3 359.518 2.248 20 0 FEADHO COCCCN1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000369657460 556661026 /nfs/dbraw/zinc/66/10/26/556661026.db2.gz BOGRICCEGYNSNY-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]C2CCN(C3CCCCC3)CC2)C1=O ZINC000369848631 556711520 /nfs/dbraw/zinc/71/15/20/556711520.db2.gz VZKSNYPIMIAMIO-QRWLVFNGSA-N 1 3 362.518 2.094 20 0 FEADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000516633885 562052020 /nfs/dbraw/zinc/05/20/20/562052020.db2.gz FFLLCWNQEHYDGF-OAGGEKHMSA-N 1 3 350.532 2.387 20 0 FEADHO CCNC(=O)c1ccc(CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000370670092 556935532 /nfs/dbraw/zinc/93/55/32/556935532.db2.gz WGKXJUXDSKGIDX-NSISKUIASA-N 1 3 359.514 2.415 20 0 FEADHO CCNC(=O)c1ccc(CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000370670092 556935535 /nfs/dbraw/zinc/93/55/35/556935535.db2.gz WGKXJUXDSKGIDX-NSISKUIASA-N 1 3 359.514 2.415 20 0 FEADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCCNC(=O)c1ccccc1F ZINC000370677299 556937340 /nfs/dbraw/zinc/93/73/40/556937340.db2.gz UKBIEPFTBLLBLK-GPMSIDNRSA-N 1 3 363.477 2.035 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCCNC(=O)c1ccccc1F ZINC000370677299 556937344 /nfs/dbraw/zinc/93/73/44/556937344.db2.gz UKBIEPFTBLLBLK-GPMSIDNRSA-N 1 3 363.477 2.035 20 0 FEADHO COCCOc1cccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000370705585 556945109 /nfs/dbraw/zinc/94/51/09/556945109.db2.gz HPTMTKPCFMDJOM-GHTZIAJQSA-N 1 3 361.530 2.170 20 0 FEADHO COCCOc1cccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000370705585 556945111 /nfs/dbraw/zinc/94/51/11/556945111.db2.gz HPTMTKPCFMDJOM-GHTZIAJQSA-N 1 3 361.530 2.170 20 0 FEADHO C[C@H](CC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000370774238 556964194 /nfs/dbraw/zinc/96/41/94/556964194.db2.gz RAPJZWAHFMOLDB-KCITZHQASA-N 1 3 351.535 2.018 20 0 FEADHO CSCc1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000517049957 562073568 /nfs/dbraw/zinc/07/35/68/562073568.db2.gz QSQHMLQKAGTFRC-UHFFFAOYSA-N 1 3 352.548 2.184 20 0 FEADHO C[C@H](C(=O)Nc1cccc(F)c1)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258997 557122677 /nfs/dbraw/zinc/12/26/77/557122677.db2.gz FBUHEJCPHCRDPW-DNVCBOLYSA-N 1 3 362.493 2.253 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000517418804 562089870 /nfs/dbraw/zinc/08/98/70/562089870.db2.gz NUJMQIUHPUQVNG-PMACEKPBSA-N 1 3 358.530 2.429 20 0 FEADHO CN(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000371732154 557277545 /nfs/dbraw/zinc/27/75/45/557277545.db2.gz KEUFFUYADWNZPI-YSGRDPCXSA-N 1 3 356.514 2.388 20 0 FEADHO CN(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000371732154 557277550 /nfs/dbraw/zinc/27/75/50/557277550.db2.gz KEUFFUYADWNZPI-YSGRDPCXSA-N 1 3 356.514 2.388 20 0 FEADHO CCN(CC)CCC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000371978693 557345141 /nfs/dbraw/zinc/34/51/41/557345141.db2.gz MTUXMVIMYUOXFA-UHFFFAOYSA-N 1 3 359.561 2.223 20 0 FEADHO CSCC[C@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000372106656 557381357 /nfs/dbraw/zinc/38/13/57/557381357.db2.gz BYXILJPRLJVDOG-KRWDZBQOSA-N 1 3 353.507 2.234 20 0 FEADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000518939655 562121494 /nfs/dbraw/zinc/12/14/94/562121494.db2.gz RHQFHQZFNGKLJY-HZPDHXFCSA-N 1 3 354.564 2.117 20 0 FEADHO C[C@H]1CN(CCC(=O)N2CCc3ccccc32)CC[N@@H+]1C1CCN(C)CC1 ZINC000373174807 557643996 /nfs/dbraw/zinc/64/39/96/557643996.db2.gz CQEFGLJKCZQCJW-SFHVURJKSA-N 1 3 370.541 2.066 20 0 FEADHO C[C@H]1CN(CCC(=O)N2CCc3ccccc32)CC[N@H+]1C1CCN(C)CC1 ZINC000373174807 557643998 /nfs/dbraw/zinc/64/39/98/557643998.db2.gz CQEFGLJKCZQCJW-SFHVURJKSA-N 1 3 370.541 2.066 20 0 FEADHO C[C@H]1CN(CCC(=O)N2CCc3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000373174807 557643999 /nfs/dbraw/zinc/64/39/99/557643999.db2.gz CQEFGLJKCZQCJW-SFHVURJKSA-N 1 3 370.541 2.066 20 0 FEADHO COC[C@H](C)OC[C@H](O)CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000373180764 557645239 /nfs/dbraw/zinc/64/52/39/557645239.db2.gz QAPDVHUGAXJNAT-WSTZPKSXSA-N 1 3 356.551 2.375 20 0 FEADHO COC[C@H](C)OC[C@H](O)CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000373180764 557645242 /nfs/dbraw/zinc/64/52/42/557645242.db2.gz QAPDVHUGAXJNAT-WSTZPKSXSA-N 1 3 356.551 2.375 20 0 FEADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000373187500 557646926 /nfs/dbraw/zinc/64/69/26/557646926.db2.gz VSUJZEHOWQAWLT-MJGOQNOKSA-N 1 3 363.550 2.164 20 0 FEADHO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CC[C@H]1CCCCN1C ZINC000373407119 557688123 /nfs/dbraw/zinc/68/81/23/557688123.db2.gz SXCMATURWGCITF-SCTDSRPQSA-N 1 3 351.514 2.139 20 0 FEADHO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000373407119 557688125 /nfs/dbraw/zinc/68/81/25/557688125.db2.gz SXCMATURWGCITF-SCTDSRPQSA-N 1 3 351.514 2.139 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000373495378 557704655 /nfs/dbraw/zinc/70/46/55/557704655.db2.gz OXNZEHOXGFXGBA-WMLDXEAASA-N 1 3 350.532 2.477 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000373495378 557704658 /nfs/dbraw/zinc/70/46/58/557704658.db2.gz OXNZEHOXGFXGBA-WMLDXEAASA-N 1 3 350.532 2.477 20 0 FEADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000520426824 562156287 /nfs/dbraw/zinc/15/62/87/562156287.db2.gz RVUZTSIBCMFLAQ-QGZVFWFLSA-N 1 3 369.513 2.400 20 0 FEADHO CC(C)c1nn(C)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000373971720 557798784 /nfs/dbraw/zinc/79/87/84/557798784.db2.gz ITAZJXQCKCFLJX-UHFFFAOYSA-N 1 3 362.522 2.224 20 0 FEADHO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1-n1cncn1 ZINC000374254710 557851678 /nfs/dbraw/zinc/85/16/78/557851678.db2.gz NGIRHEOFAPZDDN-QUCCMNQESA-N 1 3 368.529 2.034 20 0 FEADHO C[N@H+](C[C@H]1CC12CCN(CCN1C(=O)NC3(CCCC3)C1=O)CC2)C1CC1 ZINC000374292851 557859694 /nfs/dbraw/zinc/85/96/94/557859694.db2.gz FZZYHJTXDABUPS-MRXNPFEDSA-N 1 3 374.529 2.047 20 0 FEADHO C[N@@H+](C[C@H]1CC12CCN(CCN1C(=O)NC3(CCCC3)C1=O)CC2)C1CC1 ZINC000374292851 557859696 /nfs/dbraw/zinc/85/96/96/557859696.db2.gz FZZYHJTXDABUPS-MRXNPFEDSA-N 1 3 374.529 2.047 20 0 FEADHO CC[NH+](CC)C[C@H](C)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000521181036 562171054 /nfs/dbraw/zinc/17/10/54/562171054.db2.gz UEROHEXQEVNQAX-IBGZPJMESA-N 1 3 360.546 2.435 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000375345192 558012707 /nfs/dbraw/zinc/01/27/07/558012707.db2.gz PDSOHAGGZKGLAI-HLIPFELVSA-N 1 3 351.535 2.291 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc2)CC1 ZINC000376196842 558139679 /nfs/dbraw/zinc/13/96/79/558139679.db2.gz NSCVBRZJXIOIRC-PZJWPPBQSA-N 1 3 370.541 2.433 20 0 FEADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000521665488 562181685 /nfs/dbraw/zinc/18/16/85/562181685.db2.gz DWMDVNSXAGSWER-AQNXPRMDSA-N 1 3 358.530 2.462 20 0 FEADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000376289702 558153118 /nfs/dbraw/zinc/15/31/18/558153118.db2.gz LSDNSWGTFUCOJL-HKUYNNGSSA-N 1 3 374.529 2.395 20 0 FEADHO C[C@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000376810219 558224490 /nfs/dbraw/zinc/22/44/90/558224490.db2.gz GWHZVWRWLWLNJJ-HKUYNNGSSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000376810219 558224491 /nfs/dbraw/zinc/22/44/91/558224491.db2.gz GWHZVWRWLWLNJJ-HKUYNNGSSA-N 1 3 356.514 2.458 20 0 FEADHO CC1(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC[NH+](Cc2ccccc2)CC1 ZINC000376942009 558242521 /nfs/dbraw/zinc/24/25/21/558242521.db2.gz WWRXSSJDLBIIRF-UXHICEINSA-N 1 3 371.525 2.268 20 0 FEADHO COCCOCc1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000377396901 558332896 /nfs/dbraw/zinc/33/28/96/558332896.db2.gz HIDTZSCHZPKLOW-FQEVSTJZSA-N 1 3 362.514 2.440 20 0 FEADHO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000377635074 558382390 /nfs/dbraw/zinc/38/23/90/558382390.db2.gz ZUNHFWCOMWVFCX-LPHOPBHVSA-N 1 3 371.591 2.481 20 0 FEADHO NS(=O)(=O)c1ccc2c(c1)[C@H](NCCCC[NH+]1CCCC1)CCC2 ZINC000377803253 558422972 /nfs/dbraw/zinc/42/29/72/558422972.db2.gz UHBRINKCOYUYBK-GOSISDBHSA-N 1 3 351.516 2.177 20 0 FEADHO CC(C)[NH+](CCCNC(=O)N1CCC[C@@H]1CN1CCC[C@H]1CO)C(C)C ZINC000378044419 558468981 /nfs/dbraw/zinc/46/89/81/558468981.db2.gz GWCBWZJLRYVOQU-MOPGFXCFSA-N 1 3 368.566 2.126 20 0 FEADHO [NH3+]C1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)Cc2ccccc2C1 ZINC000378208072 558502946 /nfs/dbraw/zinc/50/29/46/558502946.db2.gz FRQILBJOZOOQNM-KRWDZBQOSA-N 1 3 355.507 2.498 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(Br)c[nH]1 ZINC000523483842 562214049 /nfs/dbraw/zinc/21/40/49/562214049.db2.gz DLGLKDYGCIOLMA-AWEZNQCLSA-N 1 3 371.323 2.265 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(Br)c[nH]1 ZINC000523483842 562214050 /nfs/dbraw/zinc/21/40/50/562214050.db2.gz DLGLKDYGCIOLMA-AWEZNQCLSA-N 1 3 371.323 2.265 20 0 FEADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000523647073 562216541 /nfs/dbraw/zinc/21/65/41/562216541.db2.gz GCUNAHPIVWXRMO-KRWDZBQOSA-N 1 3 362.518 2.157 20 0 FEADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000523647073 562216542 /nfs/dbraw/zinc/21/65/42/562216542.db2.gz GCUNAHPIVWXRMO-KRWDZBQOSA-N 1 3 362.518 2.157 20 0 FEADHO Cc1cc(NC(=O)NCC[NH+](C)C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000378532684 558576899 /nfs/dbraw/zinc/57/68/99/558576899.db2.gz LYLVSHNVUNHIPX-GOSISDBHSA-N 1 3 370.501 2.322 20 0 FEADHO Cn1ncc2c1CCC[C@H]2[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397487578 558624336 /nfs/dbraw/zinc/62/43/36/558624336.db2.gz DSZNJKLJYLETRA-LJQANCHMSA-N 1 3 354.498 2.414 20 0 FEADHO COCC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000398021511 558625601 /nfs/dbraw/zinc/62/56/01/558625601.db2.gz CCXVMJKKVJRXJG-HKUYNNGSSA-N 1 3 359.514 2.029 20 0 FEADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC(C)C)ccc1C[NH+](C)C ZINC000411393965 558887154 /nfs/dbraw/zinc/88/71/54/558887154.db2.gz SVSQPOLOOUEVFJ-UHFFFAOYSA-N 1 3 362.518 2.041 20 0 FEADHO CCO[C@H]1C[C@H](NCC(=O)NC2CC[NH+](CC)CC2)C12CCCCC2 ZINC000411632852 558932525 /nfs/dbraw/zinc/93/25/25/558932525.db2.gz QWHAMNZFUBJYOG-ROUUACIJSA-N 1 3 351.535 2.304 20 0 FEADHO CCCC(=O)Nc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000525885382 562258488 /nfs/dbraw/zinc/25/84/88/562258488.db2.gz QMWKLQYOXNDMOS-UHFFFAOYSA-N 1 3 363.506 2.382 20 0 FEADHO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000412113123 559015062 /nfs/dbraw/zinc/01/50/62/559015062.db2.gz XERSQIYXKDRNDH-MSOLQXFVSA-N 1 3 351.560 2.291 20 0 FEADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000414179642 559151739 /nfs/dbraw/zinc/15/17/39/559151739.db2.gz LKLFVXAPFZCGMO-HOTGVXAUSA-N 1 3 353.532 2.319 20 0 FEADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000414179642 559151740 /nfs/dbraw/zinc/15/17/40/559151740.db2.gz LKLFVXAPFZCGMO-HOTGVXAUSA-N 1 3 353.532 2.319 20 0 FEADHO C[C@H](N[C@H]1CC1(C)C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000414228667 559153775 /nfs/dbraw/zinc/15/37/75/559153775.db2.gz YZWYTSNMMSJLHT-YOEHRIQHSA-N 1 3 353.532 2.366 20 0 FEADHO COc1cc(C[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)ccc1SC ZINC000414688037 559179700 /nfs/dbraw/zinc/17/97/00/559179700.db2.gz CREZLZLVVNOLKE-OAHLLOKOSA-N 1 3 351.516 2.046 20 0 FEADHO COc1cc(C[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)ccc1SC ZINC000414688037 559179701 /nfs/dbraw/zinc/17/97/01/559179701.db2.gz CREZLZLVVNOLKE-OAHLLOKOSA-N 1 3 351.516 2.046 20 0 FEADHO C[N@@H+](Cc1csc(Br)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414689363 559179706 /nfs/dbraw/zinc/17/97/06/559179706.db2.gz KWONALNFCXVAQN-NSHDSACASA-N 1 3 360.321 2.140 20 0 FEADHO C[N@H+](Cc1csc(Br)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414689363 559179707 /nfs/dbraw/zinc/17/97/07/559179707.db2.gz KWONALNFCXVAQN-NSHDSACASA-N 1 3 360.321 2.140 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2)CC2CCOCC2)C1 ZINC000414686876 559179776 /nfs/dbraw/zinc/17/97/76/559179776.db2.gz BPFSBMLKTREUFR-FQEVSTJZSA-N 1 3 359.514 2.113 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)CC2CCOCC2)C1 ZINC000414686876 559179778 /nfs/dbraw/zinc/17/97/78/559179778.db2.gz BPFSBMLKTREUFR-FQEVSTJZSA-N 1 3 359.514 2.113 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH2+]C2(c3ccc(Br)cc3)CC2)C1 ZINC000414704016 559181136 /nfs/dbraw/zinc/18/11/36/559181136.db2.gz JCWBBAAQNNXPSV-CYBMUJFWSA-N 1 3 366.303 2.225 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)C1 ZINC000414739726 559183643 /nfs/dbraw/zinc/18/36/43/559183643.db2.gz JHAQWRQGCADURD-KRWDZBQOSA-N 1 3 363.477 2.004 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)C1 ZINC000414739726 559183644 /nfs/dbraw/zinc/18/36/44/559183644.db2.gz JHAQWRQGCADURD-KRWDZBQOSA-N 1 3 363.477 2.004 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000414754611 559185174 /nfs/dbraw/zinc/18/51/74/559185174.db2.gz NYASQCALFFQIOP-BBWFWOEESA-N 1 3 374.529 2.217 20 0 FEADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414783333 559187412 /nfs/dbraw/zinc/18/74/12/559187412.db2.gz YVROCALVNWFOLF-QUCCMNQESA-N 1 3 355.486 2.212 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000414848836 559190788 /nfs/dbraw/zinc/19/07/88/559190788.db2.gz GSWZIZNBCOHAKH-GOSISDBHSA-N 1 3 372.513 2.212 20 0 FEADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NC[C@H](C)C[NH3+] ZINC000414874120 559192068 /nfs/dbraw/zinc/19/20/68/559192068.db2.gz ICWJUINCGUDPPI-MNOVXSKESA-N 1 3 355.504 2.443 20 0 FEADHO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)CN ZINC000414874120 559192069 /nfs/dbraw/zinc/19/20/69/559192069.db2.gz ICWJUINCGUDPPI-MNOVXSKESA-N 1 3 355.504 2.443 20 0 FEADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000414877714 559192287 /nfs/dbraw/zinc/19/22/87/559192287.db2.gz MRYNZLIHMRACIH-SFHVURJKSA-N 1 3 360.502 2.115 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000414897662 559193863 /nfs/dbraw/zinc/19/38/63/559193863.db2.gz CBTPDLGJAJPEGU-GOSISDBHSA-N 1 3 372.513 2.115 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@]3(C)CCCNC3)CC2)cc1 ZINC000414898174 559194128 /nfs/dbraw/zinc/19/41/28/559194128.db2.gz AUACNJXBXOOQES-IBGZPJMESA-N 1 3 365.543 2.127 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000414936064 559196037 /nfs/dbraw/zinc/19/60/37/559196037.db2.gz BFENZJUFATUREU-UHFFFAOYSA-N 1 3 372.513 2.103 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000414971940 559198234 /nfs/dbraw/zinc/19/82/34/559198234.db2.gz JASFKMANXTUANE-NJAFHUGGSA-N 1 3 370.463 2.248 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCCN2CC(C)C)c1 ZINC000414986709 559199159 /nfs/dbraw/zinc/19/91/59/559199159.db2.gz JIMQANUJLJBIAR-IBGZPJMESA-N 1 3 374.529 2.361 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCNCC2(F)F)CC1 ZINC000414994348 559199557 /nfs/dbraw/zinc/19/95/57/559199557.db2.gz DDEHAQWTTLSTQW-KRWDZBQOSA-N 1 3 352.473 2.163 20 0 FEADHO CC(C)COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000414997446 559199754 /nfs/dbraw/zinc/19/97/54/559199754.db2.gz ZBCMJSIJHLSWHY-CTNGQTDRSA-N 1 3 359.514 2.458 20 0 FEADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CNCCCO1 ZINC000415028911 559201489 /nfs/dbraw/zinc/20/14/89/559201489.db2.gz AMMIFLBFPIBEED-OCCSQVGLSA-N 1 3 355.866 2.034 20 0 FEADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CNCCCO1 ZINC000415038979 559201839 /nfs/dbraw/zinc/20/18/39/559201839.db2.gz MUIGYHVQZMKSSK-QWHCGFSZSA-N 1 3 359.392 2.391 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415064398 559203290 /nfs/dbraw/zinc/20/32/90/559203290.db2.gz CMMROOJWHPHHBA-HKUYNNGSSA-N 1 3 374.554 2.494 20 0 FEADHO c1cncc(-c2noc([C@@]34CCC[C@@H]3CN(C[C@@H]3CCC[NH2+]C3)C4)n2)c1 ZINC000415098104 559205040 /nfs/dbraw/zinc/20/50/40/559205040.db2.gz DWVJVOCBFWZVRI-WRWLIDTKSA-N 1 3 353.470 2.485 20 0 FEADHO c1cncc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](C[C@@H]3CCCNC3)C4)n2)c1 ZINC000415098104 559205041 /nfs/dbraw/zinc/20/50/41/559205041.db2.gz DWVJVOCBFWZVRI-WRWLIDTKSA-N 1 3 353.470 2.485 20 0 FEADHO c1cncc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](C[C@@H]3CCCNC3)C4)n2)c1 ZINC000415098104 559205042 /nfs/dbraw/zinc/20/50/42/559205042.db2.gz DWVJVOCBFWZVRI-WRWLIDTKSA-N 1 3 353.470 2.485 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)Nc2ccc(CN(C)C)cc2)c1 ZINC000415102826 559205220 /nfs/dbraw/zinc/20/52/20/559205220.db2.gz JYESLMVLPVAZIZ-UHFFFAOYSA-N 1 3 354.454 2.435 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(CC)CCN1CCCCCC1 ZINC000415215085 559215603 /nfs/dbraw/zinc/21/56/03/559215603.db2.gz HIFAMRBKSRFYJO-UHFFFAOYSA-N 1 3 374.529 2.459 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CCCN(C)Cc2ccco2)cc1 ZINC000415220552 559216026 /nfs/dbraw/zinc/21/60/26/559216026.db2.gz XNWLETSZVLTTMX-OAHLLOKOSA-N 1 3 372.469 2.218 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000415548724 559248521 /nfs/dbraw/zinc/24/85/21/559248521.db2.gz FRMAZZPHDLXBIE-UHFFFAOYSA-N 1 3 372.513 2.069 20 0 FEADHO O=C(Nc1ccc2c(c1)CNCC2)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000415904339 559281820 /nfs/dbraw/zinc/28/18/20/559281820.db2.gz YJJZSJJAHVZORQ-UXHICEINSA-N 1 3 372.513 2.222 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)NCCCCN2CCN(CC)CC2)c1 ZINC000415931306 559283190 /nfs/dbraw/zinc/28/31/90/559283190.db2.gz KKWZDBRSFKLBSO-UHFFFAOYSA-N 1 3 361.534 2.335 20 0 FEADHO NCc1cc(NC(=O)NCCNc2cc[nH+]cc2)cc(C(F)(F)F)c1 ZINC000415977602 559286620 /nfs/dbraw/zinc/28/66/20/559286620.db2.gz WWZRCSSXYSNLRY-UHFFFAOYSA-N 1 3 353.348 2.215 20 0 FEADHO [NH3+]CC[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(F)(F)F ZINC000415994272 559287676 /nfs/dbraw/zinc/28/76/76/559287676.db2.gz LBEPPCLLPJRMMB-GJZGRUSLSA-N 1 3 358.408 2.230 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)CCN1Cc1ccccc1 ZINC000416037521 559290411 /nfs/dbraw/zinc/29/04/11/559290411.db2.gz BTQHXGHJHBSVPN-VHDGCEQUSA-N 1 3 358.408 2.228 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)N2CCCC2)cc1 ZINC000416832191 559334345 /nfs/dbraw/zinc/33/43/45/559334345.db2.gz VUHRFPRTGAAGOS-HOTGVXAUSA-N 1 3 370.444 2.114 20 0 FEADHO [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416830704 559334364 /nfs/dbraw/zinc/33/43/64/559334364.db2.gz AJWZNISULZVQOH-OAQYLSRUSA-N 1 3 366.509 2.474 20 0 FEADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000416838079 559334506 /nfs/dbraw/zinc/33/45/06/559334506.db2.gz IRXDPHAQBACACO-WOJBJXKFSA-N 1 3 356.514 2.435 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NC2CCC([NH3+])CC2)N2CCCC2)c1 ZINC000416861935 559335703 /nfs/dbraw/zinc/33/57/03/559335703.db2.gz XNRGGSKUVNCJEM-FAFZWHIHSA-N 1 3 360.502 2.401 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H](C)NC[C@@H]1C)c1cccc(OC)c1 ZINC000416922491 559338572 /nfs/dbraw/zinc/33/85/72/559338572.db2.gz MRLJSNXBFMPALK-JTDSTZFVSA-N 1 3 362.518 2.470 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000416969848 559340824 /nfs/dbraw/zinc/34/08/24/559340824.db2.gz CWSXKLQHJZRHKU-MRXNPFEDSA-N 1 3 354.445 2.241 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000416969846 559340843 /nfs/dbraw/zinc/34/08/43/559340843.db2.gz CWSXKLQHJZRHKU-INIZCTEOSA-N 1 3 354.445 2.241 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000416976231 559341466 /nfs/dbraw/zinc/34/14/66/559341466.db2.gz QDUAVWDDHTYYFK-SFHVURJKSA-N 1 3 362.518 2.204 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000416979715 559341794 /nfs/dbraw/zinc/34/17/94/559341794.db2.gz XHEOHRGPHLRYTC-IBGZPJMESA-N 1 3 374.529 2.158 20 0 FEADHO CCN(CC)[C@H](CNC(=O)NC[C@]1(COC)CCC[NH2+]1)c1ccsc1 ZINC000416998640 559343045 /nfs/dbraw/zinc/34/30/45/559343045.db2.gz BFVYYHBTRFQOPW-AEFFLSMTSA-N 1 3 368.547 2.199 20 0 FEADHO C[NH2+]CCC1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000417012422 559343705 /nfs/dbraw/zinc/34/37/05/559343705.db2.gz AKLUOJWWJGDERK-UHFFFAOYSA-N 1 3 358.530 2.466 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)N3CC[C@H]([NH3+])[C@@H]3C)CC2)c1 ZINC000417049864 559345778 /nfs/dbraw/zinc/34/57/78/559345778.db2.gz HOWPIHHASGWZGU-ICSRJNTNSA-N 1 3 373.545 2.028 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417203167 559352774 /nfs/dbraw/zinc/35/27/74/559352774.db2.gz YJAATGDFLKFGHC-OAQYLSRUSA-N 1 3 368.525 2.372 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)N2CCC(OCCC[NH3+])CC2)N(C)C)cc1 ZINC000417311962 559357073 /nfs/dbraw/zinc/35/70/73/559357073.db2.gz MTGAAUIPVBYUMJ-LJQANCHMSA-N 1 3 362.518 2.137 20 0 FEADHO C[NH2+]C[C@H](C)CNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000417328497 559357782 /nfs/dbraw/zinc/35/77/82/559357782.db2.gz IKWONNBIAUPCII-INIZCTEOSA-N 1 3 362.518 2.062 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000417328668 559357838 /nfs/dbraw/zinc/35/78/38/559357838.db2.gz IRGSZSATFRLXBF-MOPGFXCFSA-N 1 3 374.529 2.334 20 0 FEADHO COc1ccc(C[NH+]2CCC(CNC(=O)N3C[C@@H](C)NC[C@@H]3C)CC2)cc1 ZINC000417335894 559358315 /nfs/dbraw/zinc/35/83/15/559358315.db2.gz UJPLWNAULLHEJR-SJORKVTESA-N 1 3 374.529 2.299 20 0 FEADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417356997 559359016 /nfs/dbraw/zinc/35/90/16/559359016.db2.gz CTPWGTTVCMDHQK-HOTGVXAUSA-N 1 3 350.532 2.354 20 0 FEADHO CCc1ccccc1[C@@H](N)CNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000417438070 559362239 /nfs/dbraw/zinc/36/22/39/559362239.db2.gz IOUTVFZTBLQBQJ-IBGZPJMESA-N 1 3 362.518 2.049 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)N1C[C@H](C)NC[C@H]1C)c1ccccc1 ZINC000417515540 559365643 /nfs/dbraw/zinc/36/56/43/559365643.db2.gz LIUPKAGRFZHMSB-SCTDSRPQSA-N 1 3 362.518 2.088 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)N1C[C@H](C)NC[C@H]1C)c1ccccc1 ZINC000417515540 559365644 /nfs/dbraw/zinc/36/56/44/559365644.db2.gz LIUPKAGRFZHMSB-SCTDSRPQSA-N 1 3 362.518 2.088 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000417516814 559365651 /nfs/dbraw/zinc/36/56/51/559365651.db2.gz ORNIYILHPABVRK-LNLFQRSKSA-N 1 3 362.518 2.075 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(OCCN3CCCC3)cc2)CC[NH2+]1 ZINC000417597987 559368719 /nfs/dbraw/zinc/36/87/19/559368719.db2.gz WMXKCPYJSWLUCF-AEFFLSMTSA-N 1 3 360.502 2.101 20 0 FEADHO CN1CCC[C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]1c1cccs1 ZINC000417733876 559374565 /nfs/dbraw/zinc/37/45/65/559374565.db2.gz JDOVXYCRXOLGAZ-YFHUEUNASA-N 1 3 362.543 2.382 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000417827657 559378070 /nfs/dbraw/zinc/37/80/70/559378070.db2.gz DOOYQXWJDSOBSN-GSEOLPGOSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000418020125 559386998 /nfs/dbraw/zinc/38/69/98/559386998.db2.gz ZDZABXBHMXBJES-PXNSSMCTSA-N 1 3 374.529 2.046 20 0 FEADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000418162469 559392432 /nfs/dbraw/zinc/39/24/32/559392432.db2.gz UYDOYOHZWYHPSE-MOPGFXCFSA-N 1 3 374.529 2.046 20 0 FEADHO CO[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)[C@@H](C[NH3+])C1 ZINC000418190925 559393485 /nfs/dbraw/zinc/39/34/85/559393485.db2.gz WSXQJMWCINMMBD-MTNOOBJLSA-N 1 3 362.518 2.134 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)NC[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418193537 559393591 /nfs/dbraw/zinc/39/35/91/559393591.db2.gz CYGNHXPNLAABGH-LPHOPBHVSA-N 1 3 362.518 2.375 20 0 FEADHO CSC1(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CCN(C)CC1 ZINC000418192604 559393630 /nfs/dbraw/zinc/39/36/30/559393630.db2.gz AMIMBHHKUYSMTC-IAGOWNOFSA-N 1 3 368.591 2.378 20 0 FEADHO O=C(NCCC[NH2+]C1CC1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418287536 559396327 /nfs/dbraw/zinc/39/63/27/559396327.db2.gz KNRFFGXXJOAGGC-OALUTQOASA-N 1 3 356.514 2.292 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418332885 559397800 /nfs/dbraw/zinc/39/78/00/559397800.db2.gz GCYZUXITKYWZOH-AWEZNQCLSA-N 1 3 354.445 2.038 20 0 FEADHO O=C(N[C@@H]1CCC[NH2+]C1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418372963 559399398 /nfs/dbraw/zinc/39/93/98/559399398.db2.gz BDEBHDBHGHQPHF-CTNGQTDRSA-N 1 3 356.514 2.436 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418415226 559400785 /nfs/dbraw/zinc/40/07/85/559400785.db2.gz SKWSHODYWPUNOS-MAUKXSAKSA-N 1 3 350.482 2.416 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418534380 559405008 /nfs/dbraw/zinc/40/50/08/559405008.db2.gz FYIDKNVKPHBLFE-LJQANCHMSA-N 1 3 368.472 2.428 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418607065 559407628 /nfs/dbraw/zinc/40/76/28/559407628.db2.gz ZZUBWTWFSFYAKO-QUCCMNQESA-N 1 3 358.530 2.335 20 0 FEADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418607064 559407645 /nfs/dbraw/zinc/40/76/45/559407645.db2.gz ZZUBWTWFSFYAKO-ICSRJNTNSA-N 1 3 358.530 2.335 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC[NH2+]1 ZINC000418612762 559407839 /nfs/dbraw/zinc/40/78/39/559407839.db2.gz VYGUJUSWSQTCOO-XJKSGUPXSA-N 1 3 354.445 2.179 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000418631381 559408699 /nfs/dbraw/zinc/40/86/99/559408699.db2.gz AXLDWQGDHIWLPE-ROUUACIJSA-N 1 3 362.518 2.375 20 0 FEADHO C[C@H](CCCC[NH3+])NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418670422 559410555 /nfs/dbraw/zinc/41/05/55/559410555.db2.gz JJXKZZMYWROKIJ-KZNAEPCWSA-N 1 3 368.566 2.425 20 0 FEADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418689109 559411347 /nfs/dbraw/zinc/41/13/47/559411347.db2.gz UZEIDLJMUQEAOX-XUVXKRRUSA-N 1 3 352.482 2.304 20 0 FEADHO CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418765510 559414796 /nfs/dbraw/zinc/41/47/96/559414796.db2.gz ORUVMFFXEHSCRD-DLBZAZTESA-N 1 3 366.456 2.290 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418797341 559416488 /nfs/dbraw/zinc/41/64/88/559416488.db2.gz UVMNESDGRZRLFY-DZGCQCFKSA-N 1 3 354.445 2.165 20 0 FEADHO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420321335 559480392 /nfs/dbraw/zinc/48/03/92/559480392.db2.gz RAFSXHLIBSAGNA-DLBZAZTESA-N 1 3 362.493 2.160 20 0 FEADHO C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420327816 559480695 /nfs/dbraw/zinc/48/06/95/559480695.db2.gz ZFVTUMRIVIFYHZ-IRXDYDNUSA-N 1 3 355.486 2.415 20 0 FEADHO [NH3+]C[C@H]1CN(CCCc2nc(-c3ccccc3)no2)CC12CCOCC2 ZINC000420335423 559481369 /nfs/dbraw/zinc/48/13/69/559481369.db2.gz UWZJGXZOAOVUNA-KRWDZBQOSA-N 1 3 356.470 2.357 20 0 FEADHO Cc1cccc(OCCNC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420341925 559481881 /nfs/dbraw/zinc/48/18/81/559481881.db2.gz OWRYUCQTPKJZBX-OTWHNJEPSA-N 1 3 359.514 2.200 20 0 FEADHO COc1ccc(CN(C(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)C2CC2)cc1 ZINC000420339750 559482002 /nfs/dbraw/zinc/48/20/02/559482002.db2.gz OYFIRGNEUMAOBD-HDICACEKSA-N 1 3 357.498 2.118 20 0 FEADHO COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420359469 559482972 /nfs/dbraw/zinc/48/29/72/559482972.db2.gz KRSZZSUHFTZAMY-QAPCUYQASA-N 1 3 365.905 2.171 20 0 FEADHO COC(=O)c1cccc(OCCN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420388065 559484794 /nfs/dbraw/zinc/48/47/94/559484794.db2.gz KUCAAYQPRSNRSR-PKOBYXMFSA-N 1 3 362.470 2.070 20 0 FEADHO C[C@H]1CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@@H]1C[NH3+] ZINC000420413235 559486468 /nfs/dbraw/zinc/48/64/68/559486468.db2.gz SVKBMXXEIVHSRC-HOTGVXAUSA-N 1 3 358.486 2.059 20 0 FEADHO CC[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](CC)O1 ZINC000420793034 559504840 /nfs/dbraw/zinc/50/48/40/559504840.db2.gz KLYBHMABJJHSPO-KDURUIRLSA-N 1 3 366.550 2.144 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000422713834 559603991 /nfs/dbraw/zinc/60/39/91/559603991.db2.gz KHKMYCMHPROFBR-ZBFHGGJFSA-N 1 3 373.588 2.428 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CCCC[C@@H]2CN)s1 ZINC000422713834 559603992 /nfs/dbraw/zinc/60/39/92/559603992.db2.gz KHKMYCMHPROFBR-ZBFHGGJFSA-N 1 3 373.588 2.428 20 0 FEADHO COc1cc(C[C@H](CO)C[NH2+][C@@H](C)c2ccc(CN)nc2C)cc(OC)c1 ZINC000422818097 559607430 /nfs/dbraw/zinc/60/74/30/559607430.db2.gz FPMVOCLSYJUFOD-YOEHRIQHSA-N 1 3 373.497 2.368 20 0 FEADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000422831669 559607850 /nfs/dbraw/zinc/60/78/50/559607850.db2.gz XBUHXOASQBVTRL-GZBFAFLISA-N 1 3 369.893 2.328 20 0 FEADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422831669 559607849 /nfs/dbraw/zinc/60/78/49/559607849.db2.gz XBUHXOASQBVTRL-GZBFAFLISA-N 1 3 369.893 2.328 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2cccc(N3CCCC3=O)c2)CC[NH2+]CC1 ZINC000422862347 559608921 /nfs/dbraw/zinc/60/89/21/559608921.db2.gz NPJAXTPJVSOFMJ-MRXNPFEDSA-N 1 3 373.497 2.224 20 0 FEADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)COc1ccc2c(c1)OCO2 ZINC000422903268 559610504 /nfs/dbraw/zinc/61/05/04/559610504.db2.gz VWUNNMJAMVFVJI-LAVFITLUSA-N 1 3 362.470 2.055 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422902281 559610526 /nfs/dbraw/zinc/61/05/26/559610526.db2.gz MQEUWODXAAEBBI-MSOLQXFVSA-N 1 3 353.532 2.122 20 0 FEADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422915578 559611178 /nfs/dbraw/zinc/61/11/78/559611178.db2.gz YNDJZZAEIPXIGX-AZUAARDMSA-N 1 3 358.530 2.223 20 0 FEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN1c2ccccc2OCC1=O ZINC000422921814 559611379 /nfs/dbraw/zinc/61/13/79/559611379.db2.gz OXMKJWWVTOEREU-FUHWJXTLSA-N 1 3 353.466 2.350 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000423054012 559616741 /nfs/dbraw/zinc/61/67/41/559616741.db2.gz TZTRHIRWXNULPX-GJZGRUSLSA-N 1 3 373.419 2.150 20 0 FEADHO CN1CCC(Oc2ccc(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000423098160 559618880 /nfs/dbraw/zinc/61/88/80/559618880.db2.gz CHDDHRPBKSFREY-YPAWHYETSA-N 1 3 373.541 2.406 20 0 FEADHO C[C@@H](NCC[C@H]1CC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423245440 559623668 /nfs/dbraw/zinc/62/36/68/559623668.db2.gz IWUHRKSIOCIHQK-NXEZZACHSA-N 1 3 366.314 2.291 20 0 FEADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cccc(N2CCCS2(=O)=O)c1 ZINC000423276193 559624372 /nfs/dbraw/zinc/62/43/72/559624372.db2.gz MPQKADKXRCBJGY-LESCRADOSA-N 1 3 351.516 2.395 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3C[C@H](C)CC[NH2+]3)CC2)cc1 ZINC000423366170 559626895 /nfs/dbraw/zinc/62/68/95/559626895.db2.gz XKEXWQXBJKGUBN-OXQOHEQNSA-N 1 3 359.514 2.412 20 0 FEADHO COc1ccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1OC ZINC000423390474 559627604 /nfs/dbraw/zinc/62/76/04/559627604.db2.gz OKRNCCRCPNMFCM-BLLLJJGKSA-N 1 3 361.408 2.191 20 0 FEADHO Cc1cc(NC(=O)COC2CC[NH2+]CC2)ccc1OCCN1CCCC1 ZINC000423410519 559628085 /nfs/dbraw/zinc/62/80/85/559628085.db2.gz DBJNEEMKRNWAQW-UHFFFAOYSA-N 1 3 361.486 2.177 20 0 FEADHO COc1ccc(OC)c([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000423457107 559629620 /nfs/dbraw/zinc/62/96/20/559629620.db2.gz OPJLLKYGFJADMI-DUXSXAKTSA-N 1 3 361.486 2.001 20 0 FEADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000423840449 559642150 /nfs/dbraw/zinc/64/21/50/559642150.db2.gz DZBJWAVZBSZZPO-DYXWJJEUSA-N 1 3 359.514 2.301 20 0 FEADHO CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)ccc1O[C@@H](C)C(=O)N(C)C ZINC000424367662 559662079 /nfs/dbraw/zinc/66/20/79/559662079.db2.gz NEGHFVBHNSLSRS-USXIJHARSA-N 1 3 363.502 2.300 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000424441262 559664941 /nfs/dbraw/zinc/66/49/41/559664941.db2.gz WNYYPGFBKKWXFH-NRFANRHFSA-N 1 3 368.481 2.212 20 0 FEADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000424453773 559665680 /nfs/dbraw/zinc/66/56/80/559665680.db2.gz LYJXKMAQPPSRKF-WOJBJXKFSA-N 1 3 373.545 2.158 20 0 FEADHO O=C(NCCC1=CC[NH2+]CC1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424481866 559666951 /nfs/dbraw/zinc/66/69/51/559666951.db2.gz SIPMMKSDOZXKHQ-VQTJNVASSA-N 1 3 354.498 2.212 20 0 FEADHO C[NH2+]C[C@H]1CCCN([C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000430603432 559824507 /nfs/dbraw/zinc/82/45/07/559824507.db2.gz KCVUHPXMHUZTFQ-UYAOXDASSA-N 1 3 372.557 2.087 20 0 FEADHO CCCN(CC(=O)N1CCCN(Cc2ccccc2C)CC1)[C@@H]1CC[NH2+]C1 ZINC000430944015 559831109 /nfs/dbraw/zinc/83/11/09/559831109.db2.gz KIIZMZWEAMYJCR-OAQYLSRUSA-N 1 3 372.557 2.103 20 0 FEADHO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000431139290 559834828 /nfs/dbraw/zinc/83/48/28/559834828.db2.gz OCAXRLVEHDVAMV-OAHLLOKOSA-N 1 3 350.511 2.310 20 0 FEADHO CCN1CCN(CCC(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000431553746 559841309 /nfs/dbraw/zinc/84/13/09/559841309.db2.gz VAHNRRSHMAISBQ-RTBURBONSA-N 1 3 352.567 2.031 20 0 FEADHO CC[C@]1(O)CCN(Cc2cc(C[N@@H+]3CC[C@@](O)(CC)C3)cc(OC)c2)C1 ZINC000432792416 559864857 /nfs/dbraw/zinc/86/48/57/559864857.db2.gz KPDMLORALBRIOD-SFTDATJTSA-N 1 3 362.514 2.389 20 0 FEADHO CC[C@]1(O)CCN(Cc2cc(C[N@H+]3CC[C@@](O)(CC)C3)cc(OC)c2)C1 ZINC000432792416 559864858 /nfs/dbraw/zinc/86/48/58/559864858.db2.gz KPDMLORALBRIOD-SFTDATJTSA-N 1 3 362.514 2.389 20 0 FEADHO COc1cc(CN2CC[C@H](O)[C@H](C)C2)cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1 ZINC000432785539 559864920 /nfs/dbraw/zinc/86/49/20/559864920.db2.gz LUSDVGVDVVMMRZ-RFZJPIJTSA-N 1 3 362.514 2.101 20 0 FEADHO COc1cc(CN2CC[C@H](O)[C@H](C)C2)cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c1 ZINC000432785539 559864921 /nfs/dbraw/zinc/86/49/21/559864921.db2.gz LUSDVGVDVVMMRZ-RFZJPIJTSA-N 1 3 362.514 2.101 20 0 FEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433125038 559872510 /nfs/dbraw/zinc/87/25/10/559872510.db2.gz HVYZJVCORSDSHL-FXAWDEMLSA-N 1 3 358.530 2.141 20 0 FEADHO C[C@@H](CCNC(=O)NCCCN1CCCO[C@@H](C)C1)[NH+]1CCCCC1 ZINC000433409421 559880512 /nfs/dbraw/zinc/88/05/12/559880512.db2.gz HHLZFBWVTALVMU-ROUUACIJSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000434376593 559899182 /nfs/dbraw/zinc/89/91/82/559899182.db2.gz FTCDBKNDWFDFJU-ZSYWTGECSA-N 1 3 351.535 2.351 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000435026426 559914513 /nfs/dbraw/zinc/91/45/13/559914513.db2.gz ZWUFAKDSUOYART-INIZCTEOSA-N 1 3 366.481 2.169 20 0 FEADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCOc1ccc(C(F)(F)F)cc1 ZINC000436046792 559934332 /nfs/dbraw/zinc/93/43/32/559934332.db2.gz BTXXLRKNPWGFIN-HNNXBMFYSA-N 1 3 373.419 2.404 20 0 FEADHO Cc1ccc2cc(C[NH2+]CCCCN3CCN(CCO)CC3)ccc2n1 ZINC000438202738 559975660 /nfs/dbraw/zinc/97/56/60/559975660.db2.gz TTXAZBVMCDOVJV-UHFFFAOYSA-N 1 3 356.514 2.023 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438552133 559980567 /nfs/dbraw/zinc/98/05/67/559980567.db2.gz HLIXPHVFJVNMDH-LJQANCHMSA-N 1 3 351.535 2.399 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438552133 559980568 /nfs/dbraw/zinc/98/05/68/559980568.db2.gz HLIXPHVFJVNMDH-LJQANCHMSA-N 1 3 351.535 2.399 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cnn(CC(C)C)c1 ZINC000438566178 559980775 /nfs/dbraw/zinc/98/07/75/559980775.db2.gz GIROMOVNZWETBS-GOSISDBHSA-N 1 3 364.538 2.419 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cnn(CC(C)C)c1 ZINC000438566178 559980776 /nfs/dbraw/zinc/98/07/76/559980776.db2.gz GIROMOVNZWETBS-GOSISDBHSA-N 1 3 364.538 2.419 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)NCCN1CCN(C)C(C)(C)C1)CC(C)C ZINC000440985596 560021065 /nfs/dbraw/zinc/02/10/65/560021065.db2.gz POEWTTVSBGOCIP-SFHVURJKSA-N 1 3 369.598 2.068 20 0 FEADHO CN1CCN(CC[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1(C)C ZINC000442868867 560060264 /nfs/dbraw/zinc/06/02/64/560060264.db2.gz DCMAGICFLUJUQK-HXUWFJFHSA-N 1 3 353.514 2.376 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C[C@H]1C ZINC000443367431 560082088 /nfs/dbraw/zinc/08/20/88/560082088.db2.gz WAONJCRUHIIMGY-AEFFLSMTSA-N 1 3 374.529 2.326 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C[C@H]1C ZINC000443367431 560082090 /nfs/dbraw/zinc/08/20/90/560082090.db2.gz WAONJCRUHIIMGY-AEFFLSMTSA-N 1 3 374.529 2.326 20 0 FEADHO CC1(C)CCC[N@H+](CCNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000444615018 560116773 /nfs/dbraw/zinc/11/67/73/560116773.db2.gz ZAUWQOUETMIWGV-UHFFFAOYSA-N 1 3 351.535 2.260 20 0 FEADHO CC1(C)CCC[N@@H+](CCNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000444615018 560116774 /nfs/dbraw/zinc/11/67/74/560116774.db2.gz ZAUWQOUETMIWGV-UHFFFAOYSA-N 1 3 351.535 2.260 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000446263740 560142968 /nfs/dbraw/zinc/14/29/68/560142968.db2.gz YRPVZEUWLZFZME-NNMXDRDESA-N 1 3 371.525 2.084 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000446263740 560142969 /nfs/dbraw/zinc/14/29/69/560142969.db2.gz YRPVZEUWLZFZME-NNMXDRDESA-N 1 3 371.525 2.084 20 0 FEADHO COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000447949460 560174521 /nfs/dbraw/zinc/17/45/21/560174521.db2.gz YFNCAEHALJOJNV-KRWDZBQOSA-N 1 3 368.566 2.295 20 0 FEADHO C[C@H](C[NH2+]CCCCN1CCN(CCO)CC1)c1cc(F)cc(F)c1 ZINC000449147389 560218173 /nfs/dbraw/zinc/21/81/73/560218173.db2.gz GNEYXSHCIKPDGE-MRXNPFEDSA-N 1 3 355.473 2.048 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)COC1CCC([NH3+])CC1 ZINC000449164002 560218727 /nfs/dbraw/zinc/21/87/27/560218727.db2.gz XSVAQXHICRAJQB-UHFFFAOYSA-N 1 3 351.466 2.002 20 0 FEADHO OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000449388511 560228282 /nfs/dbraw/zinc/22/82/82/560228282.db2.gz AEUXREKUZUGOMA-GXRSIYKFSA-N 1 3 357.542 2.333 20 0 FEADHO OCCN1CCCC[C@@H]1CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000449388511 560228283 /nfs/dbraw/zinc/22/82/83/560228283.db2.gz AEUXREKUZUGOMA-GXRSIYKFSA-N 1 3 357.542 2.333 20 0 FEADHO OCCN1CCCC[C@@H]1CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000449388511 560228284 /nfs/dbraw/zinc/22/82/84/560228284.db2.gz AEUXREKUZUGOMA-GXRSIYKFSA-N 1 3 357.542 2.333 20 0 FEADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000450029958 560248461 /nfs/dbraw/zinc/24/84/61/560248461.db2.gz VDJBNNBZJQCAFG-PXNSSMCTSA-N 1 3 365.562 2.335 20 0 FEADHO CCO[C@@H]1CCN(CCOCC[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451552192 560314380 /nfs/dbraw/zinc/31/43/80/560314380.db2.gz YJWVKWCNJNEHNP-FGYAAKKASA-N 1 3 356.551 2.497 20 0 FEADHO CCO[C@@H]1CCN(CCOCC[N@H+]2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451552192 560314381 /nfs/dbraw/zinc/31/43/81/560314381.db2.gz YJWVKWCNJNEHNP-FGYAAKKASA-N 1 3 356.551 2.497 20 0 FEADHO CCO[C@@H]1CC[N@@H+](CCOCCN2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451552192 560314382 /nfs/dbraw/zinc/31/43/82/560314382.db2.gz YJWVKWCNJNEHNP-FGYAAKKASA-N 1 3 356.551 2.497 20 0 FEADHO CCO[C@@H]1CC[N@H+](CCOCCN2CC[C@H](OCC)[C@@H](C)C2)C[C@H]1C ZINC000451552192 560314383 /nfs/dbraw/zinc/31/43/83/560314383.db2.gz YJWVKWCNJNEHNP-FGYAAKKASA-N 1 3 356.551 2.497 20 0 FEADHO CCO[C@@H]1CCN(CCOCC[N@@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451552208 560314482 /nfs/dbraw/zinc/31/44/82/560314482.db2.gz YJWVKWCNJNEHNP-WTGUMLROSA-N 1 3 356.551 2.497 20 0 FEADHO CCO[C@@H]1CCN(CCOCC[N@H+]2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451552208 560314483 /nfs/dbraw/zinc/31/44/83/560314483.db2.gz YJWVKWCNJNEHNP-WTGUMLROSA-N 1 3 356.551 2.497 20 0 FEADHO CCO[C@@H]1CC[N@@H+](CCOCCN2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451552208 560314484 /nfs/dbraw/zinc/31/44/84/560314484.db2.gz YJWVKWCNJNEHNP-WTGUMLROSA-N 1 3 356.551 2.497 20 0 FEADHO CCO[C@@H]1CC[N@H+](CCOCCN2CC[C@H](OCC)[C@H](C)C2)C[C@H]1C ZINC000451552208 560314485 /nfs/dbraw/zinc/31/44/85/560314485.db2.gz YJWVKWCNJNEHNP-WTGUMLROSA-N 1 3 356.551 2.497 20 0 FEADHO c1ccc(C[N@H+]2CC[C@H](NCCNc3cnccn3)[C@H]3CCC[C@@H]32)cc1 ZINC000453127948 560383587 /nfs/dbraw/zinc/38/35/87/560383587.db2.gz CSWNNKBHBQFYGC-AABGKKOBSA-N 1 3 351.498 2.921 20 0 FEADHO c1ccc(C[N@@H+]2CC[C@H](NCCNc3cnccn3)[C@H]3CCC[C@@H]32)cc1 ZINC000453127948 560383588 /nfs/dbraw/zinc/38/35/88/560383588.db2.gz CSWNNKBHBQFYGC-AABGKKOBSA-N 1 3 351.498 2.921 20 0 FEADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1ccnn1CCN(C)C ZINC000455656198 560490720 /nfs/dbraw/zinc/49/07/20/560490720.db2.gz KDCNAHCIISATLA-IAGOWNOFSA-N 1 3 364.538 2.467 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000455660549 560490894 /nfs/dbraw/zinc/49/08/94/560490894.db2.gz RUVFJMMOSZSADX-GOSISDBHSA-N 1 3 370.501 2.088 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455660549 560490895 /nfs/dbraw/zinc/49/08/95/560490895.db2.gz RUVFJMMOSZSADX-GOSISDBHSA-N 1 3 370.501 2.088 20 0 FEADHO CC[NH+](CC)CC1CCN(C(=O)Nc2ccnn2CCN(C)C)CC1 ZINC000455661682 560490988 /nfs/dbraw/zinc/49/09/88/560490988.db2.gz FQOMDPBSGOGFAD-UHFFFAOYSA-N 1 3 350.511 2.030 20 0 FEADHO CC(C)[C@H](CNC(=O)Nc1ccnn1CCN(C)C)[NH+]1CCC(C)CC1 ZINC000455667832 560491223 /nfs/dbraw/zinc/49/12/23/560491223.db2.gz KMOXDEYKJYIIQQ-KRWDZBQOSA-N 1 3 364.538 2.323 20 0 FEADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H](O)CN3CCCCC3)ccc21 ZINC000455896881 560499571 /nfs/dbraw/zinc/49/95/71/560499571.db2.gz DILJJIMDGTUZTN-IEBWSBKVSA-N 1 3 360.502 2.204 20 0 FEADHO CC1CCN(C[C@H](O)CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455912407 560499995 /nfs/dbraw/zinc/49/99/95/560499995.db2.gz JLFWLTUQCWVRNV-UYAOXDASSA-N 1 3 374.529 2.450 20 0 FEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000457954976 560596321 /nfs/dbraw/zinc/59/63/21/560596321.db2.gz MOHJKQZVHBRWAH-XDNAFOTISA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000457954976 560596322 /nfs/dbraw/zinc/59/63/22/560596322.db2.gz MOHJKQZVHBRWAH-XDNAFOTISA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000457956136 560596368 /nfs/dbraw/zinc/59/63/68/560596368.db2.gz OWRJBXUWAPLRDF-DMUMMCEESA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000457956136 560596370 /nfs/dbraw/zinc/59/63/70/560596370.db2.gz OWRJBXUWAPLRDF-DMUMMCEESA-N 1 3 350.551 2.480 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)c1ccccc1 ZINC000458290501 560613284 /nfs/dbraw/zinc/61/32/84/560613284.db2.gz NBBSXPWHTMPGIZ-SLFFLAALSA-N 1 3 374.529 2.042 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)c1ccccc1 ZINC000458290501 560613286 /nfs/dbraw/zinc/61/32/86/560613286.db2.gz NBBSXPWHTMPGIZ-SLFFLAALSA-N 1 3 374.529 2.042 20 0 FEADHO CCN1CCCC[C@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000458386108 560619329 /nfs/dbraw/zinc/61/93/29/560619329.db2.gz VVWIXCQREROZTA-TUVJXNFZSA-N 1 3 366.550 2.144 20 0 FEADHO CCN1CCCC[C@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000458386108 560619330 /nfs/dbraw/zinc/61/93/30/560619330.db2.gz VVWIXCQREROZTA-TUVJXNFZSA-N 1 3 366.550 2.144 20 0 FEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000458385402 560619481 /nfs/dbraw/zinc/61/94/81/560619481.db2.gz VHVHAIWDENBEOM-MSOLQXFVSA-N 1 3 368.566 2.033 20 0 FEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000458385402 560619483 /nfs/dbraw/zinc/61/94/83/560619483.db2.gz VHVHAIWDENBEOM-MSOLQXFVSA-N 1 3 368.566 2.033 20 0 FEADHO NC(=O)[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccc(F)cc1 ZINC000459459485 560687762 /nfs/dbraw/zinc/68/77/62/560687762.db2.gz HTFXFGCPMHXVII-INIZCTEOSA-N 1 3 356.445 2.123 20 0 FEADHO NC(=O)NC(=O)C[N@@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459529375 560692326 /nfs/dbraw/zinc/69/23/26/560692326.db2.gz DMQGXRTVMHKKMA-LJQANCHMSA-N 1 3 372.513 2.338 20 0 FEADHO NC(=O)NC(=O)C[N@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459529375 560692327 /nfs/dbraw/zinc/69/23/27/560692327.db2.gz DMQGXRTVMHKKMA-LJQANCHMSA-N 1 3 372.513 2.338 20 0 FEADHO CCC[NH+]1CCC(CNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000461983899 560790885 /nfs/dbraw/zinc/79/08/85/560790885.db2.gz CEQOAGGMTLUUBN-UHFFFAOYSA-N 1 3 372.557 2.437 20 0 FEADHO O=C(CN1CCC[C@@H]2COCC[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000464860660 560854071 /nfs/dbraw/zinc/85/40/71/560854071.db2.gz ZSYKDYRCLNUMJD-RTWAWAEBSA-N 1 3 371.525 2.400 20 0 FEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000465909916 560875824 /nfs/dbraw/zinc/87/58/24/560875824.db2.gz MHXXVHXLOAGJFU-KRWDZBQOSA-N 1 3 368.566 2.249 20 0 FEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000465909916 560875825 /nfs/dbraw/zinc/87/58/25/560875825.db2.gz MHXXVHXLOAGJFU-KRWDZBQOSA-N 1 3 368.566 2.249 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC(CC[NH+](C)C)CC2)Cc2ccccc2C1 ZINC000466019030 560878018 /nfs/dbraw/zinc/87/80/18/560878018.db2.gz TXEWHKALSUKBJF-UHFFFAOYSA-N 1 3 372.557 2.459 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccccc2F)CC[N@@H+]1C ZINC000466034034 560878507 /nfs/dbraw/zinc/87/85/07/560878507.db2.gz DSYJFYORYJYVFF-DOTOQJQBSA-N 1 3 350.482 2.382 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccccc2F)CC[N@H+]1C ZINC000466034034 560878508 /nfs/dbraw/zinc/87/85/08/560878508.db2.gz DSYJFYORYJYVFF-DOTOQJQBSA-N 1 3 350.482 2.382 20 0 FEADHO CN1CCCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000466076395 560879646 /nfs/dbraw/zinc/87/96/46/560879646.db2.gz IQPDZPVQWDUCOW-RDJZCZTQSA-N 1 3 350.532 2.478 20 0 FEADHO CN1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000466076395 560879647 /nfs/dbraw/zinc/87/96/47/560879647.db2.gz IQPDZPVQWDUCOW-RDJZCZTQSA-N 1 3 350.532 2.478 20 0 FEADHO CN1CCCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000466076394 560879733 /nfs/dbraw/zinc/87/97/33/560879733.db2.gz IQPDZPVQWDUCOW-NVXWUHKLSA-N 1 3 350.532 2.478 20 0 FEADHO CN1CCCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000466076394 560879734 /nfs/dbraw/zinc/87/97/34/560879734.db2.gz IQPDZPVQWDUCOW-NVXWUHKLSA-N 1 3 350.532 2.478 20 0 FEADHO C[NH+](C)CC1(NC(=O)CCCN2CCN(c3ccccc3)CC2)CCC1 ZINC000466570497 560890069 /nfs/dbraw/zinc/89/00/69/560890069.db2.gz SJPVNOZENKVGFJ-UHFFFAOYSA-N 1 3 358.530 2.189 20 0 FEADHO CN(CCC[NH+]1CCCC1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000467665671 560914560 /nfs/dbraw/zinc/91/45/60/560914560.db2.gz CCNDBUPNQRZZSS-UHFFFAOYSA-N 1 3 358.530 2.143 20 0 FEADHO CSc1ccc([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cc1 ZINC000467866849 560919066 /nfs/dbraw/zinc/91/90/66/560919066.db2.gz VKXBZOBJAMLOQS-QGZVFWFLSA-N 1 3 351.560 2.449 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCn1ccnc1C(C)C ZINC000469038192 560945444 /nfs/dbraw/zinc/94/54/44/560945444.db2.gz MVVMJLIPVVTNLF-GOSISDBHSA-N 1 3 363.550 2.271 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCn1ccnc1C(C)C ZINC000469038192 560945445 /nfs/dbraw/zinc/94/54/45/560945445.db2.gz MVVMJLIPVVTNLF-GOSISDBHSA-N 1 3 363.550 2.271 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)C[C@@H]1C ZINC000469678405 560961498 /nfs/dbraw/zinc/96/14/98/560961498.db2.gz WDRUBSUOXTZUIH-ZWKOTPCHSA-N 1 3 351.535 2.353 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)C[C@@H]1C ZINC000469678405 560961499 /nfs/dbraw/zinc/96/14/99/560961499.db2.gz WDRUBSUOXTZUIH-ZWKOTPCHSA-N 1 3 351.535 2.353 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cc(-n3ccnc3)cs2)C1)[C@@H]1CCC[NH2+]1 ZINC000469865338 560967284 /nfs/dbraw/zinc/96/72/84/560967284.db2.gz XRKJWIMQYQWPNK-QAPCUYQASA-N 1 3 373.526 2.014 20 0 FEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)C(F)(F)F ZINC000470445268 560982068 /nfs/dbraw/zinc/98/20/68/560982068.db2.gz UJDJEJPVORNXEV-KGLIPLIRSA-N 1 3 352.445 2.385 20 0 FEADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)C(F)(F)F ZINC000470445268 560982069 /nfs/dbraw/zinc/98/20/69/560982069.db2.gz UJDJEJPVORNXEV-KGLIPLIRSA-N 1 3 352.445 2.385 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CCC[N@H+](C)[C@@H]3C)c2)CC1 ZINC000473838341 561058616 /nfs/dbraw/zinc/05/86/16/561058616.db2.gz WUXXABUPLVHIQS-VQIMIIECSA-N 1 3 359.518 2.433 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CCC[N@@H+](C)[C@@H]3C)c2)CC1 ZINC000473838341 561058617 /nfs/dbraw/zinc/05/86/17/561058617.db2.gz WUXXABUPLVHIQS-VQIMIIECSA-N 1 3 359.518 2.433 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000475039381 561088435 /nfs/dbraw/zinc/08/84/35/561088435.db2.gz QHQBOKXPDFLBLA-PZJWPPBQSA-N 1 3 372.557 2.069 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000475039381 561088436 /nfs/dbraw/zinc/08/84/36/561088436.db2.gz QHQBOKXPDFLBLA-PZJWPPBQSA-N 1 3 372.557 2.069 20 0 FEADHO CC(C)(CNC(=O)N[C@H]1CC[NH2+]C12CCC2)N1CCc2ccccc2C1 ZINC000529293769 562367744 /nfs/dbraw/zinc/36/77/44/562367744.db2.gz ZOPYGDLYSJIXHC-SFHVURJKSA-N 1 3 356.514 2.407 20 0 FEADHO COCCc1noc(CC2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)n1 ZINC000530231611 562403109 /nfs/dbraw/zinc/40/31/09/562403109.db2.gz RHNVTKNJHOTZIR-UHFFFAOYSA-N 1 3 370.497 2.359 20 0 FEADHO CN(CCNC(=O)C1CC[NH+](CC2CCOCC2)CC1)Cc1ccccc1 ZINC000530688189 562420603 /nfs/dbraw/zinc/42/06/03/562420603.db2.gz DSPNATGOTFWCLD-UHFFFAOYSA-N 1 3 373.541 2.373 20 0 FEADHO C[NH+](C)Cc1cccc(CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000530805122 562424355 /nfs/dbraw/zinc/42/43/55/562424355.db2.gz TVFVJIKWLDFHPS-JOCHJYFZSA-N 1 3 367.493 2.001 20 0 FEADHO CCC[NH+]1CCC(NC(=O)Nc2cc(C)nn2C2CCN(C)CC2)CC1 ZINC000530950367 562429574 /nfs/dbraw/zinc/42/95/74/562429574.db2.gz YVAPVYDVAVLQAS-UHFFFAOYSA-N 1 3 362.522 2.454 20 0 FEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCN2CCN(CC)CC2)C1 ZINC000531057487 562433353 /nfs/dbraw/zinc/43/33/53/562433353.db2.gz ZWLARDQWVSGVCO-GOSISDBHSA-N 1 3 352.567 2.031 20 0 FEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCN2CCN(CC)CC2)C1 ZINC000531057487 562433354 /nfs/dbraw/zinc/43/33/54/562433354.db2.gz ZWLARDQWVSGVCO-GOSISDBHSA-N 1 3 352.567 2.031 20 0 FEADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC(OCCN(C)C)CC2)CC1 ZINC000531441831 562446227 /nfs/dbraw/zinc/44/62/27/562446227.db2.gz DXXLGPMRUNGFNL-UHFFFAOYSA-N 1 3 374.529 2.176 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1COc2ccc(C)cc21 ZINC000531933952 562461981 /nfs/dbraw/zinc/46/19/81/562461981.db2.gz HTOCEDDSCBVCFX-HKUYNNGSSA-N 1 3 374.529 2.486 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1COc2ccc(C)cc21 ZINC000531933952 562461982 /nfs/dbraw/zinc/46/19/82/562461982.db2.gz HTOCEDDSCBVCFX-HKUYNNGSSA-N 1 3 374.529 2.486 20 0 FEADHO CC[N@@H+]1CC[C@H](NC[C@@H](c2cccs2)N2CCN(C)CC2)[C@H](C)C1 ZINC000531932275 562462028 /nfs/dbraw/zinc/46/20/28/562462028.db2.gz AZQADVCYCHRERA-SQNIBIBYSA-N 1 3 350.576 2.357 20 0 FEADHO CC[N@H+]1CC[C@H](NC[C@@H](c2cccs2)N2CCN(C)CC2)[C@H](C)C1 ZINC000531932275 562462029 /nfs/dbraw/zinc/46/20/29/562462029.db2.gz AZQADVCYCHRERA-SQNIBIBYSA-N 1 3 350.576 2.357 20 0 FEADHO CCN1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)[C@H](C)C1 ZINC000531932275 562462030 /nfs/dbraw/zinc/46/20/30/562462030.db2.gz AZQADVCYCHRERA-SQNIBIBYSA-N 1 3 350.576 2.357 20 0 FEADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532689456 562485722 /nfs/dbraw/zinc/48/57/22/562485722.db2.gz KYRCKTODHLVPEB-VAMGGRTRSA-N 1 3 356.514 2.236 20 0 FEADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532689456 562485723 /nfs/dbraw/zinc/48/57/23/562485723.db2.gz KYRCKTODHLVPEB-VAMGGRTRSA-N 1 3 356.514 2.236 20 0 FEADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532689455 562485728 /nfs/dbraw/zinc/48/57/28/562485728.db2.gz KYRCKTODHLVPEB-SLFFLAALSA-N 1 3 356.514 2.236 20 0 FEADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000532689455 562485729 /nfs/dbraw/zinc/48/57/29/562485729.db2.gz KYRCKTODHLVPEB-SLFFLAALSA-N 1 3 356.514 2.236 20 0 FEADHO O=C(NCCNc1ccncc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000534524443 562535924 /nfs/dbraw/zinc/53/59/24/562535924.db2.gz DKYHYPGOOKGTMU-UHFFFAOYSA-N 1 3 367.497 2.401 20 0 FEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(COC)nc1C ZINC000535408617 562557957 /nfs/dbraw/zinc/55/79/57/562557957.db2.gz GXCYTLYJOXIMDC-OAHLLOKOSA-N 1 3 368.547 2.086 20 0 FEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000536544656 562578459 /nfs/dbraw/zinc/57/84/59/562578459.db2.gz VNDGCIGVUWQAIC-HXUWFJFHSA-N 1 3 373.541 2.351 20 0 FEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000536544656 562578460 /nfs/dbraw/zinc/57/84/60/562578460.db2.gz VNDGCIGVUWQAIC-HXUWFJFHSA-N 1 3 373.541 2.351 20 0 FEADHO C[C@@H]1[C@@H](NC(=S)NCC2CC[NH+](C)CC2)CCN1Cc1ccccc1 ZINC000806608749 674383528 /nfs/dbraw/zinc/38/35/28/674383528.db2.gz JKEOWQZSDUNURV-APWZRJJASA-N 1 3 360.571 2.455 20 0 FEADHO CN(C)C[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)c1ccc(F)cc1 ZINC000806595155 674382513 /nfs/dbraw/zinc/38/25/13/674382513.db2.gz RNCKNMCAIMNGIH-INIZCTEOSA-N 1 3 354.539 2.480 20 0 FEADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000602656128 568006285 /nfs/dbraw/zinc/00/62/85/568006285.db2.gz WHONJCJWTGPVEB-QFBILLFUSA-N 1 3 362.514 2.232 20 0 FEADHO C[C@@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000604867125 568380359 /nfs/dbraw/zinc/38/03/59/568380359.db2.gz CZEWWIGYNMVZTA-LJQANCHMSA-N 1 3 372.557 2.435 20 0 FEADHO OCCN1CCN(CCCC[NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000557548429 674453433 /nfs/dbraw/zinc/45/34/33/674453433.db2.gz FAYYXHYBHQRDBG-UHFFFAOYSA-N 1 3 357.901 2.001 20 0 FEADHO C[NH+](C)CCCC1CC[NH+](CCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825859497 608377912 /nfs/dbraw/zinc/37/79/12/608377912.db2.gz GFKRNIGNSJVJDY-UHFFFAOYSA-N 1 3 358.490 2.299 20 0 FEADHO CC[C@@H]1CO[C@H](C)CN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000563388616 674881519 /nfs/dbraw/zinc/88/15/19/674881519.db2.gz ZDAWVUATIWJDPR-SJLPKXTDSA-N 1 3 351.535 2.209 20 0 FEADHO CN1CCC(NC(=S)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063179653 670405439 /nfs/dbraw/zinc/40/54/39/670405439.db2.gz TXSJBWMWEYEBTF-UHFFFAOYSA-N 1 3 360.571 2.457 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000570191108 670675672 /nfs/dbraw/zinc/67/56/72/670675672.db2.gz UJYVUXIAOVFJJC-CRAIPNDOSA-N 1 3 350.482 2.460 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000570191108 670675676 /nfs/dbraw/zinc/67/56/76/670675676.db2.gz UJYVUXIAOVFJJC-CRAIPNDOSA-N 1 3 350.482 2.460 20 0 FEADHO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(C)CCCN(C)CC[NH+](C)C ZINC000565563787 675132600 /nfs/dbraw/zinc/13/26/00/675132600.db2.gz VTQUEYNHIHVIMK-AWEZNQCLSA-N 1 3 356.461 2.107 20 0 FEADHO CCCCCCN(C)CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111616444 670860141 /nfs/dbraw/zinc/86/01/41/670860141.db2.gz MGFLFSGIOVWIDL-IBGZPJMESA-N 1 3 352.567 2.127 20 0 FEADHO CCCCCCN(C)CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111616444 670860148 /nfs/dbraw/zinc/86/01/48/670860148.db2.gz MGFLFSGIOVWIDL-IBGZPJMESA-N 1 3 352.567 2.127 20 0 FEADHO CS(=O)(=O)c1ccc(OCCCN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000572001507 670949735 /nfs/dbraw/zinc/94/97/35/670949735.db2.gz XILBAFMYSIQIRA-IAGOWNOFSA-N 1 3 366.527 2.181 20 0 FEADHO Cc1cc(C)cc(OC[C@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000574151135 671208377 /nfs/dbraw/zinc/20/83/77/671208377.db2.gz NNINYYRMCQVXAC-RTBURBONSA-N 1 3 350.503 2.134 20 0 FEADHO Cc1cc(C)cc(OC[C@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000574151135 671208378 /nfs/dbraw/zinc/20/83/78/671208378.db2.gz NNINYYRMCQVXAC-RTBURBONSA-N 1 3 350.503 2.134 20 0 FEADHO CC[C@H](C)[C@@H](CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)OC ZINC000574171659 671211485 /nfs/dbraw/zinc/21/14/85/671211485.db2.gz OSJXYNUCLSRAMW-QFBILLFUSA-N 1 3 353.551 2.360 20 0 FEADHO CCC[N@H+](CCN1CCCCCC1)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000574551066 671253465 /nfs/dbraw/zinc/25/34/65/671253465.db2.gz FWQBYHHFXYFOMM-AQNXPRMDSA-N 1 3 355.567 2.045 20 0 FEADHO CCC[N@@H+](CCN1CCCCCC1)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000574551066 671253469 /nfs/dbraw/zinc/25/34/69/671253469.db2.gz FWQBYHHFXYFOMM-AQNXPRMDSA-N 1 3 355.567 2.045 20 0 FEADHO [NH3+][C@@H]1CCC[C@H](NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000575430193 671313310 /nfs/dbraw/zinc/31/33/10/671313310.db2.gz SNBBQELAKVDXOV-MNOVXSKESA-N 1 3 366.314 2.131 20 0 FEADHO CCC[C@@H](CCO)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000579974982 671774462 /nfs/dbraw/zinc/77/44/62/671774462.db2.gz DRJNPSUYVPGTBG-KRWDZBQOSA-N 1 3 353.551 2.098 20 0 FEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000583141773 672067052 /nfs/dbraw/zinc/06/70/52/672067052.db2.gz WVGXJIGFDFFBHM-SOLBZPMBSA-N 1 3 353.551 2.358 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=S)NCC1(N2CCSCC2)CCCC1 ZINC000727074720 673153486 /nfs/dbraw/zinc/15/34/86/673153486.db2.gz PBHRZMBRVWFOSV-UHFFFAOYSA-N 1 3 372.648 2.400 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CN1Cc1ccccc1 ZINC000397980573 673164333 /nfs/dbraw/zinc/16/43/33/673164333.db2.gz MGNYITOEAGTPQN-KMFMINBZSA-N 1 3 355.404 2.308 20 0 FEADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000414924803 673182902 /nfs/dbraw/zinc/18/29/02/673182902.db2.gz KXHCQXBYASVAJK-IRXDYDNUSA-N 1 3 367.921 2.411 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000463116406 673298499 /nfs/dbraw/zinc/29/84/99/673298499.db2.gz OAPROOKVOIGWGR-INIZCTEOSA-N 1 3 364.500 2.266 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000536867598 673381743 /nfs/dbraw/zinc/38/17/43/673381743.db2.gz DFBMDFYDDRTFMU-SWLSCSKDSA-N 1 3 354.292 2.109 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000536867598 673381748 /nfs/dbraw/zinc/38/17/48/673381748.db2.gz DFBMDFYDDRTFMU-SWLSCSKDSA-N 1 3 354.292 2.109 20 0 FEADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000819172925 675265920 /nfs/dbraw/zinc/26/59/20/675265920.db2.gz HODOBNDWWYXARX-GBESFXJTSA-N 1 3 354.441 2.356 20 0 FEADHO C[NH+](C)CCOc1cc(CNC[C@@H](O)c2cc(F)ccc2F)ccn1 ZINC000819197083 675268950 /nfs/dbraw/zinc/26/89/50/675268950.db2.gz XABGSTNCPZFRTO-QGZVFWFLSA-N 1 3 351.397 2.123 20 0 FEADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)Cc1ccc(F)cc1 ZINC000567687376 675312505 /nfs/dbraw/zinc/31/25/05/675312505.db2.gz CVYQVYJIBFQDCL-ZCNNSNEGSA-N 1 3 350.478 2.087 20 0 FEADHO CC[C@@H](C[C@@H](C)CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568195232 675357520 /nfs/dbraw/zinc/35/75/20/675357520.db2.gz ADWJSSXTNGTWJV-AEFFLSMTSA-N 1 3 353.551 2.096 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000824826920 675623621 /nfs/dbraw/zinc/62/36/21/675623621.db2.gz UDTUUMRPEQWLCG-KKUMJFAQSA-N 1 3 367.456 2.265 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000824826920 675623623 /nfs/dbraw/zinc/62/36/23/675623623.db2.gz UDTUUMRPEQWLCG-KKUMJFAQSA-N 1 3 367.456 2.265 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ncsc1C(F)(F)F ZINC000617507285 676289406 /nfs/dbraw/zinc/28/94/06/676289406.db2.gz PXMRMUMSFSBZRD-JTQLQIEISA-N 1 3 352.426 2.164 20 0 FEADHO COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)c1OC ZINC000617508059 676289311 /nfs/dbraw/zinc/28/93/11/676289311.db2.gz SXUNLMOQQHEXAP-AWEZNQCLSA-N 1 3 351.491 2.014 20 0 FEADHO COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)c1OC ZINC000617508059 676289313 /nfs/dbraw/zinc/28/93/13/676289313.db2.gz SXUNLMOQQHEXAP-AWEZNQCLSA-N 1 3 351.491 2.014 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ncsc1C(F)(F)F ZINC000617507285 676289405 /nfs/dbraw/zinc/28/94/05/676289405.db2.gz PXMRMUMSFSBZRD-JTQLQIEISA-N 1 3 352.426 2.164 20 0 FEADHO COc1cccc(Cl)c1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507003 676289728 /nfs/dbraw/zinc/28/97/28/676289728.db2.gz DYFKKDWIFANAHP-AWEZNQCLSA-N 1 3 355.910 2.279 20 0 FEADHO COc1cccc(Cl)c1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507003 676289729 /nfs/dbraw/zinc/28/97/29/676289729.db2.gz DYFKKDWIFANAHP-AWEZNQCLSA-N 1 3 355.910 2.279 20 0 FEADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000624119572 676565560 /nfs/dbraw/zinc/56/55/60/676565560.db2.gz FGGPACBOQGCJBM-JKSUJKDBSA-N 1 3 353.532 2.319 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)cc1 ZINC000631998035 676969806 /nfs/dbraw/zinc/96/98/06/676969806.db2.gz PJDPEGIUGFCWEQ-MRXNPFEDSA-N 1 3 359.495 2.075 20 0 FEADHO C[NH+](C)CCCS(=O)(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000632311467 676987354 /nfs/dbraw/zinc/98/73/54/676987354.db2.gz DDPGSTYNRDACOM-SFHVURJKSA-N 1 3 367.559 2.158 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CCCS(=O)(=O)CC1 ZINC000634952909 677086116 /nfs/dbraw/zinc/08/61/16/677086116.db2.gz LWUBRHFWFYTTRV-GOSISDBHSA-N 1 3 368.543 2.464 20 0 FEADHO COC[C@@]1(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCCCN1 ZINC000638290470 677142820 /nfs/dbraw/zinc/14/28/20/677142820.db2.gz GUPVDEKASRHAFA-HXUWFJFHSA-N 1 3 351.535 2.260 20 0 FEADHO C[NH+]1CCC2(CCN(CCCOc3ccc(S(C)(=O)=O)cc3)C2)CC1 ZINC000639758673 677165304 /nfs/dbraw/zinc/16/53/04/677165304.db2.gz XGXZGHRFJXYQEN-UHFFFAOYSA-N 1 3 366.527 2.277 20 0 FEADHO CN(C)CCN(CCc1ccccc1)C(=S)NCC1CC[NH+](C)CC1 ZINC000760467277 680688703 /nfs/dbraw/zinc/68/87/03/680688703.db2.gz CJISXLRFQMGDJD-UHFFFAOYSA-N 1 3 362.587 2.309 20 0 FEADHO CC(C)(CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)N1CCc2ccccc2C1 ZINC000649292462 677328809 /nfs/dbraw/zinc/32/88/09/677328809.db2.gz IRZILTWDAKPNHK-INIZCTEOSA-N 1 3 351.441 2.184 20 0 FEADHO C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CCN1Cc1ccccc1 ZINC000649344693 677329843 /nfs/dbraw/zinc/32/98/43/677329843.db2.gz MOYYHWGPBOZBOW-NVXWUHKLSA-N 1 3 351.441 2.354 20 0 FEADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)C[C@H]1C ZINC000649547457 677332666 /nfs/dbraw/zinc/33/26/66/677332666.db2.gz TXXCAORQVFJIDC-CRAIPNDOSA-N 1 3 365.543 2.432 20 0 FEADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)C[C@H]1C ZINC000649547457 677332667 /nfs/dbraw/zinc/33/26/67/677332667.db2.gz TXXCAORQVFJIDC-CRAIPNDOSA-N 1 3 365.543 2.432 20 0 FEADHO CC(C)CN(CC(C)C)C(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346079 677480446 /nfs/dbraw/zinc/48/04/46/677480446.db2.gz SWOBZEDQWDXXIU-FHWLQOOXSA-N 1 3 353.551 2.345 20 0 FEADHO CCOC1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1 ZINC000654571755 677589213 /nfs/dbraw/zinc/58/92/13/677589213.db2.gz NYWQYLBALFHTQO-UHFFFAOYSA-N 1 3 351.535 2.210 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654658976 677594728 /nfs/dbraw/zinc/59/47/28/677594728.db2.gz YWXQBUWZBFOUAQ-MAEOIBBWSA-N 1 3 350.482 2.239 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000655730789 677664303 /nfs/dbraw/zinc/66/43/03/677664303.db2.gz TWFKYCCEZZTBCJ-NSHGMRRFSA-N 1 3 353.551 2.109 20 0 FEADHO C[NH+]1CCC2(CC1)CN(C[C@H]1CCCN(C(=O)C(C)(C)C)C1)CCO2 ZINC000660907084 678404544 /nfs/dbraw/zinc/40/45/44/678404544.db2.gz WJUZIWHHUZWBID-QGZVFWFLSA-N 1 3 351.535 2.068 20 0 FEADHO C[C@@H](O)[C@H]1CCCN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000661768958 678531586 /nfs/dbraw/zinc/53/15/86/678531586.db2.gz ZUVNNFGPBHCXDI-CRAIPNDOSA-N 1 3 363.527 2.019 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662493665 678629319 /nfs/dbraw/zinc/62/93/19/678629319.db2.gz OOZRCASXNNMWJE-UHFFFAOYSA-N 1 3 362.499 2.407 20 0 FEADHO CC1CCN([C@H](CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])c2cccs2)CC1 ZINC000662662875 678648431 /nfs/dbraw/zinc/64/84/31/678648431.db2.gz KFQZJCVKMKKXDL-BZUAXINKSA-N 1 3 351.516 2.001 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@]2(CCSC2)C1 ZINC000665763724 678982745 /nfs/dbraw/zinc/98/27/45/678982745.db2.gz KGVLJTFOTMIYPQ-FUHWJXTLSA-N 1 3 356.580 2.187 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@]2(CCSC2)C1 ZINC000665763724 678982748 /nfs/dbraw/zinc/98/27/48/678982748.db2.gz KGVLJTFOTMIYPQ-FUHWJXTLSA-N 1 3 356.580 2.187 20 0 FEADHO CC[NH2+]CCCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000666990281 679057558 /nfs/dbraw/zinc/05/75/58/679057558.db2.gz YNOZKUGTCFGDSW-UHFFFAOYSA-N 1 3 350.532 2.399 20 0 FEADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000671771975 679345546 /nfs/dbraw/zinc/34/55/46/679345546.db2.gz IBTOKBVOXJEEBM-XJFOESAGSA-N 1 3 351.520 2.280 20 0 FEADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000671771975 679345547 /nfs/dbraw/zinc/34/55/47/679345547.db2.gz IBTOKBVOXJEEBM-XJFOESAGSA-N 1 3 351.520 2.280 20 0 FEADHO Cc1nn(Cc2ccccc2)c(Cl)c1CNCCCN1CC[NH2+]CC1 ZINC000841030503 680860523 /nfs/dbraw/zinc/86/05/23/680860523.db2.gz SFWKHCQUFGJLBX-UHFFFAOYSA-N 1 3 361.921 2.278 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc(Cl)n1 ZINC000831382569 679974902 /nfs/dbraw/zinc/97/49/02/679974902.db2.gz OTEULFGLCOUNHK-IMJJTQAJSA-N 1 3 350.894 2.376 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc(Cl)n1 ZINC000831382569 679974908 /nfs/dbraw/zinc/97/49/08/679974908.db2.gz OTEULFGLCOUNHK-IMJJTQAJSA-N 1 3 350.894 2.376 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc(Cl)n1 ZINC000831382567 679975047 /nfs/dbraw/zinc/97/50/47/679975047.db2.gz OTEULFGLCOUNHK-FVQBIDKESA-N 1 3 350.894 2.376 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc(Cl)n1 ZINC000831382567 679975050 /nfs/dbraw/zinc/97/50/50/679975050.db2.gz OTEULFGLCOUNHK-FVQBIDKESA-N 1 3 350.894 2.376 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=S)NC1CCN(C)CC1 ZINC000749828927 680078255 /nfs/dbraw/zinc/07/82/55/680078255.db2.gz KGDZMKFPCICIOB-APWZRJJASA-N 1 3 360.571 2.455 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=S)NC1CCN(C)CC1 ZINC000749828927 680078258 /nfs/dbraw/zinc/07/82/58/680078258.db2.gz KGDZMKFPCICIOB-APWZRJJASA-N 1 3 360.571 2.455 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@]3(C)CCCCO3)CC2)CC1 ZINC000832463695 680137126 /nfs/dbraw/zinc/13/71/26/680137126.db2.gz GGKKFGBUQIMIFK-HXUWFJFHSA-N 1 3 351.535 2.258 20 0 FEADHO Cc1nc(CCN2CCC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001023377404 680257349 /nfs/dbraw/zinc/25/73/49/680257349.db2.gz KVUZSICFDFOVIP-QGPMSJSTSA-N 1 3 364.559 2.162 20 0 FEADHO Cc1nc(CCN2CCC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001023377404 680257351 /nfs/dbraw/zinc/25/73/51/680257351.db2.gz KVUZSICFDFOVIP-QGPMSJSTSA-N 1 3 364.559 2.162 20 0 FEADHO Cc1csc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001023993576 680277495 /nfs/dbraw/zinc/27/74/95/680277495.db2.gz JBVMFSBUTZLBKM-BZUAXINKSA-N 1 3 350.532 2.120 20 0 FEADHO Cc1csc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001023993576 680277496 /nfs/dbraw/zinc/27/74/96/680277496.db2.gz JBVMFSBUTZLBKM-BZUAXINKSA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(CCc3scnc3C)C2)CC[N@@H+]1C ZINC001046329968 680646566 /nfs/dbraw/zinc/64/65/66/680646566.db2.gz DONVFIOWZWMNSM-FRQCXROJSA-N 1 3 364.559 2.305 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(CCc3scnc3C)C2)CC[N@H+]1C ZINC001046329968 680646569 /nfs/dbraw/zinc/64/65/69/680646569.db2.gz DONVFIOWZWMNSM-FRQCXROJSA-N 1 3 364.559 2.305 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc(Cl)n1 ZINC000841851349 680914633 /nfs/dbraw/zinc/91/46/33/680914633.db2.gz OWEWVDXZPKPRSM-DLBZAZTESA-N 1 3 358.873 2.437 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc(Cl)n1 ZINC000841854787 680914842 /nfs/dbraw/zinc/91/48/42/680914842.db2.gz APZBGAYHFSXRPR-IMJJTQAJSA-N 1 3 350.894 2.424 20 0 FEADHO C[C@@](O)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000849001719 681647489 /nfs/dbraw/zinc/64/74/89/681647489.db2.gz URXYNQJPZPJCLY-MRXNPFEDSA-N 1 3 358.408 2.078 20 0 FEADHO CN1CCC(NC(=S)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CC1 ZINC000849292113 681679870 /nfs/dbraw/zinc/67/98/70/681679870.db2.gz MUYUHVHXWGMGHA-LJQANCHMSA-N 1 3 360.571 2.204 20 0 FEADHO CN1CCC(NC(=S)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CC1 ZINC000849292113 681679876 /nfs/dbraw/zinc/67/98/76/681679876.db2.gz MUYUHVHXWGMGHA-LJQANCHMSA-N 1 3 360.571 2.204 20 0 FEADHO C[C@@H]1[C@H](C(=O)N(C)C2CCC(NCc3nccs3)CC2)CC[N@@H+]1C ZINC000963337625 682138333 /nfs/dbraw/zinc/13/83/33/682138333.db2.gz CRDTXBRRXAIUJZ-PRLABOORSA-N 1 3 350.532 2.343 20 0 FEADHO C[C@@H]1[C@H](C(=O)N(C)C2CCC(NCc3nccs3)CC2)CC[N@H+]1C ZINC000963337625 682138336 /nfs/dbraw/zinc/13/83/36/682138336.db2.gz CRDTXBRRXAIUJZ-PRLABOORSA-N 1 3 350.532 2.343 20 0 FEADHO CCC(CC)CN1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000972389907 682412775 /nfs/dbraw/zinc/41/27/75/682412775.db2.gz ZRDPRCGHYMKTSE-YVWKXTFCSA-N 1 3 351.535 2.066 20 0 FEADHO CCC(CC)CN1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000972389907 682412778 /nfs/dbraw/zinc/41/27/78/682412778.db2.gz ZRDPRCGHYMKTSE-YVWKXTFCSA-N 1 3 351.535 2.066 20 0 FEADHO COc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1Cl ZINC000853870090 682481732 /nfs/dbraw/zinc/48/17/32/682481732.db2.gz ICYDXSLMFRPLKL-AWEZNQCLSA-N 1 3 370.925 2.420 20 0 FEADHO COc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1Cl ZINC000853870090 682481735 /nfs/dbraw/zinc/48/17/35/682481735.db2.gz ICYDXSLMFRPLKL-AWEZNQCLSA-N 1 3 370.925 2.420 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2nc3c(s2)CCCC3)CC[NH2+]CC1 ZINC000925829313 683041534 /nfs/dbraw/zinc/04/15/34/683041534.db2.gz AYXFURSJSVREFT-ZDUSSCGKSA-N 1 3 351.516 2.433 20 0 FEADHO C[NH+]1CCC(CN[C@H]2CCc3c2nccc3Cl)(N2CCOCC2)CC1 ZINC000926574882 683148304 /nfs/dbraw/zinc/14/83/04/683148304.db2.gz AEVCJZUNZBQIDT-KRWDZBQOSA-N 1 3 364.921 2.109 20 0 FEADHO C[NH+](C)CCOc1ccc(CCNCc2nc(Br)c[nH]2)cc1 ZINC000921693687 683544916 /nfs/dbraw/zinc/54/49/16/683544916.db2.gz GXRGUGUMIMALCF-UHFFFAOYSA-N 1 3 367.291 2.445 20 0 FEADHO C[C@@H](NCC[N@@H+]1CCCC1(C)C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862391936 683582936 /nfs/dbraw/zinc/58/29/36/683582936.db2.gz XKNFBTKZKWPJGM-CVEARBPZSA-N 1 3 355.523 2.475 20 0 FEADHO C[C@@H](NCC[N@H+]1CCCC1(C)C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862391936 683582937 /nfs/dbraw/zinc/58/29/37/683582937.db2.gz XKNFBTKZKWPJGM-CVEARBPZSA-N 1 3 355.523 2.475 20 0 FEADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cncc(Br)c1)C2 ZINC000922387944 683712738 /nfs/dbraw/zinc/71/27/38/683712738.db2.gz NKURJHHCDCKPBI-QBPKDAKJSA-N 1 3 368.319 2.413 20 0 FEADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cncc(Br)c1)C2 ZINC000922387944 683712743 /nfs/dbraw/zinc/71/27/43/683712743.db2.gz NKURJHHCDCKPBI-QBPKDAKJSA-N 1 3 368.319 2.413 20 0 FEADHO CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000863556070 683742138 /nfs/dbraw/zinc/74/21/38/683742138.db2.gz AAIYUGUZSZUDOU-IRXDYDNUSA-N 1 3 355.523 2.212 20 0 FEADHO CC(C)[C@@H]1C[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000931217102 684242333 /nfs/dbraw/zinc/24/23/33/684242333.db2.gz LYDJSDZAIUDLSH-APWZRJJASA-N 1 3 351.535 2.112 20 0 FEADHO CCOc1cc(CN(C)C[C@@H]2CC3(C[NH2+]C3)CO2)ccc1OC(F)F ZINC000923303363 684259057 /nfs/dbraw/zinc/25/90/57/684259057.db2.gz CTKQLFNFZDYEMV-AWEZNQCLSA-N 1 3 356.413 2.497 20 0 FEADHO Brc1cccc2c1OCC[C@H]2NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923379946 684271858 /nfs/dbraw/zinc/27/18/58/684271858.db2.gz SAXOGBONILGZGL-BXUZGUMPSA-N 1 3 353.260 2.241 20 0 FEADHO C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452846 684283355 /nfs/dbraw/zinc/28/33/55/684283355.db2.gz ILAPRFNNLFJUOC-YOEHRIQHSA-N 1 3 365.905 2.175 20 0 FEADHO [NH3+]CC[C@@H]1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000923479621 684287479 /nfs/dbraw/zinc/28/74/79/684287479.db2.gz AAEZEWRWIGDJOM-DOMZBBRYSA-N 1 3 352.276 2.225 20 0 FEADHO C[NH+](C)CC1(O)CCN(CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000931486122 684290940 /nfs/dbraw/zinc/29/09/40/684290940.db2.gz WKJUKAKNOFZQPF-UHFFFAOYSA-N 1 3 364.877 2.321 20 0 FEADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000925115641 684525068 /nfs/dbraw/zinc/52/50/68/684525068.db2.gz KIPAMFAPARHACC-LPQCKEBISA-N 1 3 352.862 2.074 20 0 FEADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000925115641 684525070 /nfs/dbraw/zinc/52/50/70/684525070.db2.gz KIPAMFAPARHACC-LPQCKEBISA-N 1 3 352.862 2.074 20 0 FEADHO [NH3+]CCC[C@@H](NCCNS(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000925493916 684565947 /nfs/dbraw/zinc/56/59/47/684565947.db2.gz MVCPRQHWUPIATD-LJQANCHMSA-N 1 3 361.511 2.176 20 0 FEADHO CNS(=O)(=O)c1ccc(CCN[C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000873261353 685102334 /nfs/dbraw/zinc/10/23/34/685102334.db2.gz CYQROANJLSHZNP-NVXWUHKLSA-N 1 3 353.532 2.038 20 0 FEADHO CCN(CC)[C@H](CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000876715081 686251242 /nfs/dbraw/zinc/25/12/42/686251242.db2.gz HFWTYVYSWNUIMA-JQHSSLGASA-N 1 3 351.466 2.142 20 0 FEADHO CCOC(=O)N1CCC(C)(C[NH+]2CCC(N(C)CCCO)CC2)CC1 ZINC000876737210 686257868 /nfs/dbraw/zinc/25/78/68/686257868.db2.gz PSSMBWXTQUXQKJ-UHFFFAOYSA-N 1 3 355.523 2.024 20 0 FEADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1csc(CC[NH3+])n1 ZINC000877030240 686314681 /nfs/dbraw/zinc/31/46/81/686314681.db2.gz CRFKZRBGJOOSLW-RHSMWYFYSA-N 1 3 356.495 2.401 20 0 FEADHO C(N1CC[C@@H]2CSC[C@H]2C1)C1(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)COC1 ZINC000879562855 686857778 /nfs/dbraw/zinc/85/77/78/686857778.db2.gz MZKJBTZHNLGANU-TVFCKZIOSA-N 1 3 368.612 2.373 20 0 FEADHO C(N1CC[C@@H]2CSC[C@H]2C1)C1(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)COC1 ZINC000879562855 686857786 /nfs/dbraw/zinc/85/77/86/686857786.db2.gz MZKJBTZHNLGANU-TVFCKZIOSA-N 1 3 368.612 2.373 20 0 FEADHO C(N1CC[C@@H]2CSC[C@@H]2C1)C1(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)COC1 ZINC000879562855 686857792 /nfs/dbraw/zinc/85/77/92/686857792.db2.gz MZKJBTZHNLGANU-TVFCKZIOSA-N 1 3 368.612 2.373 20 0 FEADHO C(N1CC[C@@H]2CSC[C@@H]2C1)C1(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)COC1 ZINC000879562855 686857800 /nfs/dbraw/zinc/85/78/00/686857800.db2.gz MZKJBTZHNLGANU-TVFCKZIOSA-N 1 3 368.612 2.373 20 0 FEADHO Cc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Cl)n1 ZINC000883770177 687721692 /nfs/dbraw/zinc/72/16/92/687721692.db2.gz LYBYJUUNAHRCQW-AWEZNQCLSA-N 1 3 355.914 2.115 20 0 FEADHO Cc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Cl)n1 ZINC000883770177 687721697 /nfs/dbraw/zinc/72/16/97/687721697.db2.gz LYBYJUUNAHRCQW-AWEZNQCLSA-N 1 3 355.914 2.115 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](COC)C(C)C)CC2)CC1 ZINC000885798871 688160934 /nfs/dbraw/zinc/16/09/34/688160934.db2.gz PDULRMDPYVYVOQ-GOSISDBHSA-N 1 3 353.551 2.218 20 0 FEADHO CCN(C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000891922118 689127193 /nfs/dbraw/zinc/12/71/93/689127193.db2.gz FVZLCOCQHVIDMZ-DOTOQJQBSA-N 1 3 350.532 2.405 20 0 FEADHO C[NH+]1CCC(CN2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)CC1 ZINC000892000564 689137802 /nfs/dbraw/zinc/13/78/02/689137802.db2.gz DGWGJEVLZXDUJT-IBGZPJMESA-N 1 3 351.922 2.333 20 0 FEADHO COCCOc1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000895310136 689693285 /nfs/dbraw/zinc/69/32/85/689693285.db2.gz RBTJGMBFVVMFHI-UHFFFAOYSA-N 1 3 352.475 2.285 20 0 FEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(NC2CC2)s1 ZINC000900481542 690521921 /nfs/dbraw/zinc/52/19/21/690521921.db2.gz RWRATTOXQTVINT-OAHLLOKOSA-N 1 3 365.547 2.206 20 0 FEADHO CCO[C@H](C)c1nc(CN2CCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2)cs1 ZINC000903446104 690894284 /nfs/dbraw/zinc/89/42/84/690894284.db2.gz SYIMYTQCVCNIKV-OAGGEKHMSA-N 1 3 352.548 2.486 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)cc1 ZINC000903546792 690920238 /nfs/dbraw/zinc/92/02/38/690920238.db2.gz NRNYXLNAZGMQBF-GOSISDBHSA-N 1 3 365.543 2.420 20 0 FEADHO Cn1cc([C@@H]2CSCCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)cn1 ZINC000903830205 690976029 /nfs/dbraw/zinc/97/60/29/690976029.db2.gz WBBIQJVJZYCNHM-SJORKVTESA-N 1 3 350.532 2.059 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000041787128 540033062 /nfs/dbraw/zinc/03/30/62/540033062.db2.gz MUOARGALVQZIGK-QGZVFWFLSA-N 1 3 374.529 2.458 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000041787128 540033064 /nfs/dbraw/zinc/03/30/64/540033064.db2.gz MUOARGALVQZIGK-QGZVFWFLSA-N 1 3 374.529 2.458 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCc3ccc(F)cc3)CC2)CC1 ZINC000051236028 540427697 /nfs/dbraw/zinc/42/76/97/540427697.db2.gz UUBKYXZMVIIAFT-UHFFFAOYSA-N 1 3 362.493 2.226 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4c(c3)OCO4)CC2)CC1 ZINC000051236052 540427863 /nfs/dbraw/zinc/42/78/63/540427863.db2.gz XPBGUCDVGAWLPI-UHFFFAOYSA-N 1 3 360.458 2.095 20 0 FEADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)n1cnc2ccccc21 ZINC000051463929 540435071 /nfs/dbraw/zinc/43/50/71/540435071.db2.gz IHXUOGFUSVKZLF-INIZCTEOSA-N 1 3 369.513 2.272 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCSC(F)(F)F)CC2)CC1 ZINC000051777873 540444595 /nfs/dbraw/zinc/44/45/95/540444595.db2.gz DZDLOQSKZNPWIO-UHFFFAOYSA-N 1 3 368.469 2.097 20 0 FEADHO CCCC[N@H+](C)CC1CCN(CC(=O)NC2CCN(CC)CC2)CC1 ZINC000052208636 540458013 /nfs/dbraw/zinc/45/80/13/540458013.db2.gz AQESNNJVIZAIRQ-UHFFFAOYSA-N 1 3 352.567 2.031 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(CC(=O)NC2CCN(CC)CC2)CC1 ZINC000052208636 540458016 /nfs/dbraw/zinc/45/80/16/540458016.db2.gz AQESNNJVIZAIRQ-UHFFFAOYSA-N 1 3 352.567 2.031 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000054511225 540593881 /nfs/dbraw/zinc/59/38/81/540593881.db2.gz PNOHNXARTKUQBB-GOSISDBHSA-N 1 3 362.518 2.158 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000054511225 540593883 /nfs/dbraw/zinc/59/38/83/540593883.db2.gz PNOHNXARTKUQBB-GOSISDBHSA-N 1 3 362.518 2.158 20 0 FEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073123945 541921281 /nfs/dbraw/zinc/92/12/81/541921281.db2.gz VEGPCJLQDDHOJD-HXUWFJFHSA-N 1 3 372.557 2.435 20 0 FEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073123945 541921284 /nfs/dbraw/zinc/92/12/84/541921284.db2.gz VEGPCJLQDDHOJD-HXUWFJFHSA-N 1 3 372.557 2.435 20 0 FEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000073555992 541965490 /nfs/dbraw/zinc/96/54/90/541965490.db2.gz UYXPXAYRPCIEMT-HXUWFJFHSA-N 1 3 358.530 2.189 20 0 FEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000073555992 541965497 /nfs/dbraw/zinc/96/54/97/541965497.db2.gz UYXPXAYRPCIEMT-HXUWFJFHSA-N 1 3 358.530 2.189 20 0 FEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000074158849 542044302 /nfs/dbraw/zinc/04/43/02/542044302.db2.gz ATAQKZXGQWDMGS-GOSISDBHSA-N 1 3 351.535 2.212 20 0 FEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000074158849 542044306 /nfs/dbraw/zinc/04/43/06/542044306.db2.gz ATAQKZXGQWDMGS-GOSISDBHSA-N 1 3 351.535 2.212 20 0 FEADHO C[C@H](CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1)N1CCC(C)CC1 ZINC000074257086 542059982 /nfs/dbraw/zinc/05/99/82/542059982.db2.gz KERLOXYZPKMWEL-GOSISDBHSA-N 1 3 361.534 2.219 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCOc2ccccc21 ZINC000076877117 542328054 /nfs/dbraw/zinc/32/80/54/542328054.db2.gz IZAWOOHOWXWCQQ-PKOBYXMFSA-N 1 3 359.514 2.427 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCOc2ccccc21 ZINC000076877117 542328057 /nfs/dbraw/zinc/32/80/57/542328057.db2.gz IZAWOOHOWXWCQQ-PKOBYXMFSA-N 1 3 359.514 2.427 20 0 FEADHO Cc1[nH]c2ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cc2c1C ZINC000077796471 542421116 /nfs/dbraw/zinc/42/11/16/542421116.db2.gz AXYPETRYGYLXPI-UHFFFAOYSA-N 1 3 359.518 2.420 20 0 FEADHO C[C@H]1C[C@@H](NC[C@H]2CCCN2S(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000090799412 542788605 /nfs/dbraw/zinc/78/86/05/542788605.db2.gz ONOJRBWLDPTSOV-YTQUADARSA-N 1 3 365.543 2.053 20 0 FEADHO C[C@H]1C[C@@H](NC[C@H]2CCCN2S(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000090799412 542788606 /nfs/dbraw/zinc/78/86/06/542788606.db2.gz ONOJRBWLDPTSOV-YTQUADARSA-N 1 3 365.543 2.053 20 0 FEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000247449458 549334520 /nfs/dbraw/zinc/33/45/20/549334520.db2.gz YYPBVEVPNPOULX-SFNKJDCFSA-N 1 3 351.535 2.112 20 0 FEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000247449458 549334524 /nfs/dbraw/zinc/33/45/24/549334524.db2.gz YYPBVEVPNPOULX-SFNKJDCFSA-N 1 3 351.535 2.112 20 0 FEADHO C[NH+](C)CCn1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)n1 ZINC000102435869 543069911 /nfs/dbraw/zinc/06/99/11/543069911.db2.gz WYWIZLZXLWLCLG-UHFFFAOYSA-N 1 3 370.501 2.231 20 0 FEADHO CCN(C)[C@@H](C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000103192989 543096759 /nfs/dbraw/zinc/09/67/59/543096759.db2.gz QKSNWXPCNRPZGQ-OAQYLSRUSA-N 1 3 372.557 2.354 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1F ZINC000103211106 543097194 /nfs/dbraw/zinc/09/71/94/543097194.db2.gz ITONMQWWEJLQCZ-UHFFFAOYSA-N 1 3 360.271 2.154 20 0 FEADHO Cc1cc(C)n(Cc2ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc2)n1 ZINC000103212584 543097515 /nfs/dbraw/zinc/09/75/15/543097515.db2.gz LKJRGFMXGYWYHU-UHFFFAOYSA-N 1 3 371.529 2.114 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000103319463 543103605 /nfs/dbraw/zinc/10/36/05/543103605.db2.gz ADCLVBQXUWXCAN-RTWAWAEBSA-N 1 3 370.541 2.431 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000103319463 543103608 /nfs/dbraw/zinc/10/36/08/543103608.db2.gz ADCLVBQXUWXCAN-RTWAWAEBSA-N 1 3 370.541 2.431 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000103511648 543113291 /nfs/dbraw/zinc/11/32/91/543113291.db2.gz VRLHLLVASLWJJK-UHFFFAOYSA-N 1 3 362.518 2.110 20 0 FEADHO CNC(=O)NC(=O)[C@@H](C)N(C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726504 543138979 /nfs/dbraw/zinc/13/89/79/543138979.db2.gz PDRFPYPIJJQCSM-MRXNPFEDSA-N 1 3 360.502 2.065 20 0 FEADHO C[NH+](C)[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000105150079 543162567 /nfs/dbraw/zinc/16/25/67/543162567.db2.gz UHEJZTQFNVWLLT-INIZCTEOSA-N 1 3 354.564 2.084 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108557362 543294157 /nfs/dbraw/zinc/29/41/57/543294157.db2.gz GCKAXWUYSRDJKP-QGZVFWFLSA-N 1 3 366.575 2.132 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108557362 543294160 /nfs/dbraw/zinc/29/41/60/543294160.db2.gz GCKAXWUYSRDJKP-QGZVFWFLSA-N 1 3 366.575 2.132 20 0 FEADHO CC(C)C[C@H]1COCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000113974207 543499923 /nfs/dbraw/zinc/49/99/23/543499923.db2.gz MOKBVZWVLXRBFC-IBGZPJMESA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H]([NH2+]C1(CNC(=O)NC[C@@H]2CCCN2C)CCOCC1)c1ccccc1 ZINC000113604350 543492903 /nfs/dbraw/zinc/49/29/03/543492903.db2.gz QXTBEVBLZBGJND-MJGOQNOKSA-N 1 3 374.529 2.280 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CN1C1CC1 ZINC000123419548 543761187 /nfs/dbraw/zinc/76/11/87/543761187.db2.gz SFGAOVLRSRJJGQ-NVXWUHKLSA-N 1 3 360.502 2.051 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)nc1C ZINC000124254948 543810021 /nfs/dbraw/zinc/81/00/21/543810021.db2.gz IXZSFFYLYWEHFD-INIZCTEOSA-N 1 3 363.506 2.278 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)nc1C ZINC000124254948 543810024 /nfs/dbraw/zinc/81/00/24/543810024.db2.gz IXZSFFYLYWEHFD-INIZCTEOSA-N 1 3 363.506 2.278 20 0 FEADHO CCN(CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)C1CC1 ZINC000124846572 543846930 /nfs/dbraw/zinc/84/69/30/543846930.db2.gz OGHYCOUJKOXPKV-PMACEKPBSA-N 1 3 364.578 2.266 20 0 FEADHO CCN(CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)C1CC1 ZINC000124846572 543846932 /nfs/dbraw/zinc/84/69/32/543846932.db2.gz OGHYCOUJKOXPKV-PMACEKPBSA-N 1 3 364.578 2.266 20 0 FEADHO C[NH+](C)CCOc1ccccc1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000125312329 543874296 /nfs/dbraw/zinc/87/42/96/543874296.db2.gz MKIOMFFPOWBZRW-UHFFFAOYSA-N 1 3 360.502 2.053 20 0 FEADHO Cc1ccc(C)c(OC[C@@H](O)CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000126477376 543938639 /nfs/dbraw/zinc/93/86/39/543938639.db2.gz GEJFAWDFMAIVAK-FQEVSTJZSA-N 1 3 363.546 2.001 20 0 FEADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128646390 544064629 /nfs/dbraw/zinc/06/46/29/544064629.db2.gz SGJONUIDJXTVQR-KRWDZBQOSA-N 1 3 362.518 2.030 20 0 FEADHO COc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c2cccnc12 ZINC000131692492 544202128 /nfs/dbraw/zinc/20/21/28/544202128.db2.gz FYLJZMGFPYZLCM-UHFFFAOYSA-N 1 3 359.474 2.201 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@@H](C)[S@@](C)=O)CC1 ZINC000133360495 544266573 /nfs/dbraw/zinc/26/65/73/544266573.db2.gz RWRUNBYVAPUULM-OSPHWJPCSA-N 1 3 351.560 2.465 20 0 FEADHO O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000133589678 544276045 /nfs/dbraw/zinc/27/60/45/544276045.db2.gz PBPZJHAIVSFJQC-LSDHHAIUSA-N 1 3 353.557 2.171 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000152228346 544627928 /nfs/dbraw/zinc/62/79/28/544627928.db2.gz YOUHIFIJDSEJJB-MJGOQNOKSA-N 1 3 358.530 2.352 20 0 FEADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2ccc(CO)cc2)CC1 ZINC000182921943 327793724 /nfs/dbraw/zinc/79/37/24/327793724.db2.gz MVDRVGMIEZKDDJ-UHFFFAOYSA-N 1 3 373.541 2.383 20 0 FEADHO CC(C)(C)[C@@H](CCO)NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000183685988 327830623 /nfs/dbraw/zinc/83/06/23/327830623.db2.gz FQZAPCWPDQLYQC-LJQANCHMSA-N 1 3 361.530 2.285 20 0 FEADHO CCO[C@H]1C[C@@](N)(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000188246144 328075542 /nfs/dbraw/zinc/07/55/42/328075542.db2.gz QJRBIPGJPOZVPD-FXAWDEMLSA-N 1 3 351.535 2.432 20 0 FEADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3[nH]nc4c3CNCC4)cc2)C1 ZINC000188713421 328106078 /nfs/dbraw/zinc/10/60/78/328106078.db2.gz FDBMBUQPYKZFPT-HNNXBMFYSA-N 1 3 367.497 2.217 20 0 FEADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3[nH]nc4c3CNCC4)cc2)C1 ZINC000188713421 328106079 /nfs/dbraw/zinc/10/60/79/328106079.db2.gz FDBMBUQPYKZFPT-HNNXBMFYSA-N 1 3 367.497 2.217 20 0 FEADHO O=C(NCC1CCN(Cc2ccccc2Cl)CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188761154 328109183 /nfs/dbraw/zinc/10/91/83/328109183.db2.gz WWCLOGSDPFYQOC-DOTOQJQBSA-N 1 3 353.869 2.368 20 0 FEADHO CCCNC(=O)C1([NH2+]CCCN2CCN(C(C)C)CC2)CCCCC1 ZINC000192771975 328338793 /nfs/dbraw/zinc/33/87/93/328338793.db2.gz CAYHJSDOUUVGIJ-UHFFFAOYSA-N 1 3 352.567 2.221 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000077804465 325017310 /nfs/dbraw/zinc/01/73/10/325017310.db2.gz XJWMQLOEDDRYTG-UHFFFAOYSA-N 1 3 364.509 2.382 20 0 FEADHO CC(C)CN1CCN([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000078645296 325055848 /nfs/dbraw/zinc/05/58/48/325055848.db2.gz RKOGPNFHKUQHDB-TZIWHRDSSA-N 1 3 372.557 2.039 20 0 FEADHO CC(C)CN1CCN([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000078645296 325055852 /nfs/dbraw/zinc/05/58/52/325055852.db2.gz RKOGPNFHKUQHDB-TZIWHRDSSA-N 1 3 372.557 2.039 20 0 FEADHO C[C@@]1(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000237571041 328520742 /nfs/dbraw/zinc/52/07/42/328520742.db2.gz PMAJUVGLFJKARV-LJQANCHMSA-N 1 3 365.905 2.299 20 0 FEADHO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCC1CCN(c3ccncc3)CC1)C2 ZINC000091233226 325382242 /nfs/dbraw/zinc/38/22/42/325382242.db2.gz PLPWCJVVKQBKEV-PKOBYXMFSA-N 1 3 357.502 2.176 20 0 FEADHO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCC1CCN(c3ccncc3)CC1)C2 ZINC000091233226 325382243 /nfs/dbraw/zinc/38/22/43/325382243.db2.gz PLPWCJVVKQBKEV-PKOBYXMFSA-N 1 3 357.502 2.176 20 0 FEADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000091233340 325382269 /nfs/dbraw/zinc/38/22/69/325382269.db2.gz FPAUEAOLPIPMRU-IBGZPJMESA-N 1 3 359.518 2.424 20 0 FEADHO CSC[C@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119546051 326173822 /nfs/dbraw/zinc/17/38/22/326173822.db2.gz ASFVBBPDQCZHFV-QGZVFWFLSA-N 1 3 354.564 2.082 20 0 FEADHO CC[C@@]1(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000119754221 326195170 /nfs/dbraw/zinc/19/51/70/326195170.db2.gz XQPMFACTACZEPN-JOCHJYFZSA-N 1 3 372.557 2.090 20 0 FEADHO C[C@H](C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)CN1CCN(C)CC1 ZINC000120798806 326289027 /nfs/dbraw/zinc/28/90/27/326289027.db2.gz GCKZRAJBMOWWTH-RTBURBONSA-N 1 3 362.562 2.161 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CN1C1CC1 ZINC000120870777 326294595 /nfs/dbraw/zinc/29/45/95/326294595.db2.gz MOQSLBBXPVFHKA-NVXWUHKLSA-N 1 3 360.502 2.051 20 0 FEADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)CC1 ZINC000121360581 326332615 /nfs/dbraw/zinc/33/26/15/326332615.db2.gz LMPPHMNRODQFBD-HBMCJLEFSA-N 1 3 355.526 2.481 20 0 FEADHO CN(C)Cc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000122359327 326393853 /nfs/dbraw/zinc/39/38/53/326393853.db2.gz ORPOMMJIOGQPIO-PMACEKPBSA-N 1 3 359.514 2.246 20 0 FEADHO CN(c1ccccc1CN1CCN(CC(C)(C)O)CC1)C1CC[NH+](C)CC1 ZINC000129988591 326549552 /nfs/dbraw/zinc/54/95/52/326549552.db2.gz BUGLWOUHKCWEAF-UHFFFAOYSA-N 1 3 374.573 2.106 20 0 FEADHO CC(C)COC[C@H](O)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133301728 326606241 /nfs/dbraw/zinc/60/62/41/326606241.db2.gz CPVXSCAIWVBUKY-HXUWFJFHSA-N 1 3 363.546 2.340 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C[NH3+])C3CCCCC3)cc2)CC1 ZINC000155682083 326799815 /nfs/dbraw/zinc/79/98/15/326799815.db2.gz GERSUSCSWVBDHS-FQEVSTJZSA-N 1 3 358.530 2.466 20 0 FEADHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)C1CC[NH2+]CC1 ZINC000169223237 327088191 /nfs/dbraw/zinc/08/81/91/327088191.db2.gz RHTDZMOAENPRFD-UHFFFAOYSA-N 1 3 365.905 2.299 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000171036593 327113803 /nfs/dbraw/zinc/11/38/03/327113803.db2.gz YHUCBWLCIVCUIX-GOSISDBHSA-N 1 3 360.502 2.007 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171652613 327152224 /nfs/dbraw/zinc/15/22/24/327152224.db2.gz KSHWGDKLACQIRL-PMACEKPBSA-N 1 3 358.530 2.429 20 0 FEADHO COc1cccc(COC[C@@H](O)C[N@H+](C)CC[C@H]2CCCCN2C)c1 ZINC000173953157 327297360 /nfs/dbraw/zinc/29/73/60/327297360.db2.gz UBPWXJFOJJULPI-MOPGFXCFSA-N 1 3 350.503 2.379 20 0 FEADHO COc1cccc(COC[C@@H](O)C[N@@H+](C)CC[C@H]2CCCCN2C)c1 ZINC000173953157 327297362 /nfs/dbraw/zinc/29/73/62/327297362.db2.gz UBPWXJFOJJULPI-MOPGFXCFSA-N 1 3 350.503 2.379 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173953726 327297653 /nfs/dbraw/zinc/29/76/53/327297653.db2.gz RLLGBLUNXMBLRU-IYBDPMFKSA-N 1 3 364.538 2.323 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173953726 327297654 /nfs/dbraw/zinc/29/76/54/327297654.db2.gz RLLGBLUNXMBLRU-IYBDPMFKSA-N 1 3 364.538 2.323 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H](C)[N@H+](C)C3CC3)CC2)c1 ZINC000174564251 327335263 /nfs/dbraw/zinc/33/52/63/327335263.db2.gz PJKUKQBEAGMCSS-SFHVURJKSA-N 1 3 358.530 2.106 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H](C)[N@@H+](C)C3CC3)CC2)c1 ZINC000174564251 327335264 /nfs/dbraw/zinc/33/52/64/327335264.db2.gz PJKUKQBEAGMCSS-SFHVURJKSA-N 1 3 358.530 2.106 20 0 FEADHO CCN(CC)[C@H](C(=O)NCCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000264236503 329003386 /nfs/dbraw/zinc/00/33/86/329003386.db2.gz NMYTUJWKDSNPAG-FQEVSTJZSA-N 1 3 360.546 2.213 20 0 FEADHO C[C@H](CNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)N(C)C1CC1 ZINC000264283862 329007306 /nfs/dbraw/zinc/00/73/06/329007306.db2.gz KHRYNVGOWXIKRZ-MRXNPFEDSA-N 1 3 362.518 2.299 20 0 FEADHO CC(C)[NH+]1CCC(O)(CNC(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000268443640 329420491 /nfs/dbraw/zinc/42/04/91/329420491.db2.gz GTIABLLKMOELHH-UHFFFAOYSA-N 1 3 373.497 2.460 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000269196225 329495345 /nfs/dbraw/zinc/49/53/45/329495345.db2.gz LNCADSGFNYSSKI-MJGOQNOKSA-N 1 3 358.530 2.335 20 0 FEADHO [NH3+]CCCCCCC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000269261984 329501875 /nfs/dbraw/zinc/50/18/75/329501875.db2.gz NBOMSRMESMTRGG-HXUWFJFHSA-N 1 3 361.530 2.457 20 0 FEADHO CN(C)[C@@]1(CNC(=O)Nc2ccccc2CC[NH+](C)C)CCSC1 ZINC000275661491 330075548 /nfs/dbraw/zinc/07/55/48/330075548.db2.gz NZNPNADRPYVOGT-GOSISDBHSA-N 1 3 350.532 2.350 20 0 FEADHO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)[C@@H](c1ccccc1)N(C)C ZINC000276564430 330165244 /nfs/dbraw/zinc/16/52/44/330165244.db2.gz HRGIZXNSFVFYSK-VDGAXYAQSA-N 1 3 359.514 2.437 20 0 FEADHO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)[C@@H](c1ccccc1)N(C)C ZINC000276564430 330165245 /nfs/dbraw/zinc/16/52/45/330165245.db2.gz HRGIZXNSFVFYSK-VDGAXYAQSA-N 1 3 359.514 2.437 20 0 FEADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H](c2n[nH]cc2CN2CCCC2)C1 ZINC000367269517 330238758 /nfs/dbraw/zinc/23/87/58/330238758.db2.gz IAJMWPGLBLXOFX-PKOBYXMFSA-N 1 3 371.529 2.053 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000156636774 545641575 /nfs/dbraw/zinc/64/15/75/545641575.db2.gz RAMJDTLWUFCCIN-QMMLZNLJSA-N 1 3 371.525 2.267 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000156636774 545641578 /nfs/dbraw/zinc/64/15/78/545641578.db2.gz RAMJDTLWUFCCIN-QMMLZNLJSA-N 1 3 371.525 2.267 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000478934757 561178512 /nfs/dbraw/zinc/17/85/12/561178512.db2.gz ZRJCVTLJDTYBGN-RBUKOAKNSA-N 1 3 374.529 2.395 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000478934757 561178513 /nfs/dbraw/zinc/17/85/13/561178513.db2.gz ZRJCVTLJDTYBGN-RBUKOAKNSA-N 1 3 374.529 2.395 20 0 FEADHO COCCCN(C)CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000175740425 546342125 /nfs/dbraw/zinc/34/21/25/546342125.db2.gz QWPYCEWAFNTYSD-LJQANCHMSA-N 1 3 368.566 2.252 20 0 FEADHO CCC[N@H+](CC)CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000175771098 546347534 /nfs/dbraw/zinc/34/75/34/546347534.db2.gz CWOXYAVCSRIRDI-QZTJIDSGSA-N 1 3 368.566 2.249 20 0 FEADHO CCC[N@@H+](CC)CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000175771098 546347538 /nfs/dbraw/zinc/34/75/38/546347538.db2.gz CWOXYAVCSRIRDI-QZTJIDSGSA-N 1 3 368.566 2.249 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C(C)C)N2CCOCC2)[C@@H](C)C1 ZINC000480266808 561206076 /nfs/dbraw/zinc/20/60/76/561206076.db2.gz PKIGXNZVWPVEJU-UFYCRDLUSA-N 1 3 355.567 2.070 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C(C)C)N2CCOCC2)[C@@H](C)C1 ZINC000480266808 561206077 /nfs/dbraw/zinc/20/60/77/561206077.db2.gz PKIGXNZVWPVEJU-UFYCRDLUSA-N 1 3 355.567 2.070 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000176211302 546419803 /nfs/dbraw/zinc/41/98/03/546419803.db2.gz YWHZTBKJNFWMQN-KRWDZBQOSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CN4CCN3CCC4)cc2)C1 ZINC000480620355 561213154 /nfs/dbraw/zinc/21/31/54/561213154.db2.gz IBXXYIYASFDGJR-YLJYHZDGSA-N 1 3 356.514 2.247 20 0 FEADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CN4CCN3CCC4)cc2)C1 ZINC000480620355 561213155 /nfs/dbraw/zinc/21/31/55/561213155.db2.gz IBXXYIYASFDGJR-YLJYHZDGSA-N 1 3 356.514 2.247 20 0 FEADHO CC(C)N1CC[C@@H](N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1=O ZINC000177507091 546632239 /nfs/dbraw/zinc/63/22/39/546632239.db2.gz APWSZXVUUQYJEZ-ZHALLVOQSA-N 1 3 351.535 2.207 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000178746632 546842486 /nfs/dbraw/zinc/84/24/86/546842486.db2.gz NJLVVUIUBMVALN-GPMSIDNRSA-N 1 3 367.559 2.333 20 0 FEADHO O=C(CC1CC[NH2+]CC1)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000178876712 546865308 /nfs/dbraw/zinc/86/53/08/546865308.db2.gz APNGKVWCSUZLPP-UHFFFAOYSA-N 1 3 372.557 2.090 20 0 FEADHO C[C@H]1C[C@H](NCCNC(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000180834783 547188913 /nfs/dbraw/zinc/18/89/13/547188913.db2.gz MOLGILWCJACPPZ-SWLSCSKDSA-N 1 3 354.292 2.251 20 0 FEADHO C[C@H]1C[C@H](NCCNC(=O)c2cccc(Br)c2)CC[N@H+]1C ZINC000180834783 547188918 /nfs/dbraw/zinc/18/89/18/547188918.db2.gz MOLGILWCJACPPZ-SWLSCSKDSA-N 1 3 354.292 2.251 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000182306413 547470537 /nfs/dbraw/zinc/47/05/37/547470537.db2.gz FHBWJYMOMBNJBU-UYAOXDASSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000182306413 547470541 /nfs/dbraw/zinc/47/05/41/547470541.db2.gz FHBWJYMOMBNJBU-UYAOXDASSA-N 1 3 374.529 2.253 20 0 FEADHO C[C@@H](CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1)[NH+]1CCCCC1 ZINC000182675041 547531444 /nfs/dbraw/zinc/53/14/44/547531444.db2.gz CWCUVRMIGWJIMF-ZWKOTPCHSA-N 1 3 354.539 2.003 20 0 FEADHO CN(CCC[NH+]1CCN(C)CC1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000182961733 547579898 /nfs/dbraw/zinc/57/98/98/547579898.db2.gz UUQUDLRSXJUPCB-GOSISDBHSA-N 1 3 364.921 2.015 20 0 FEADHO C[C@@H](NC(=O)Nc1ccn(CCN(C)C)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183497145 547671436 /nfs/dbraw/zinc/67/14/36/547671436.db2.gz AJDYQHBRRPQGKQ-CVEARBPZSA-N 1 3 362.522 2.219 20 0 FEADHO C[C@@H](NC(=O)Nc1ccn(CCN(C)C)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183497145 547671439 /nfs/dbraw/zinc/67/14/39/547671439.db2.gz AJDYQHBRRPQGKQ-CVEARBPZSA-N 1 3 362.522 2.219 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@](C)(CO)C1CCCCC1)c1ccccc1 ZINC000184585866 547849834 /nfs/dbraw/zinc/84/98/34/547849834.db2.gz ONWDCBZSLMJHNU-TZIWHRDSSA-N 1 3 361.530 2.326 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000184900038 547895619 /nfs/dbraw/zinc/89/56/19/547895619.db2.gz NPWCHNTWQOYMOV-QGZVFWFLSA-N 1 3 359.518 2.292 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000184900038 547895624 /nfs/dbraw/zinc/89/56/24/547895624.db2.gz NPWCHNTWQOYMOV-QGZVFWFLSA-N 1 3 359.518 2.292 20 0 FEADHO CCC[N@H+](C)C[C@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000184977704 547910475 /nfs/dbraw/zinc/91/04/75/547910475.db2.gz ZNYTTXODKFYQDW-QUCCMNQESA-N 1 3 360.546 2.069 20 0 FEADHO CCC[N@@H+](C)C[C@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000184977704 547910477 /nfs/dbraw/zinc/91/04/77/547910477.db2.gz ZNYTTXODKFYQDW-QUCCMNQESA-N 1 3 360.546 2.069 20 0 FEADHO O=C1OCC[C@]12CCC[N@H+]2CCCCCCN1CCC[C@@]12CCOC2=O ZINC000186715102 548179606 /nfs/dbraw/zinc/17/96/06/548179606.db2.gz CCLABCZJRIKJCZ-BGYRXZFFSA-N 1 3 364.486 2.110 20 0 FEADHO O=C1OCC[C@]12CCC[N@@H+]2CCCCCCN1CCC[C@@]12CCOC2=O ZINC000186715102 548179608 /nfs/dbraw/zinc/17/96/08/548179608.db2.gz CCLABCZJRIKJCZ-BGYRXZFFSA-N 1 3 364.486 2.110 20 0 FEADHO O=C1OCC[C@]12CCCN2CCCCCC[N@@H+]1CCC[C@@]12CCOC2=O ZINC000186715102 548179609 /nfs/dbraw/zinc/17/96/09/548179609.db2.gz CCLABCZJRIKJCZ-BGYRXZFFSA-N 1 3 364.486 2.110 20 0 FEADHO O=C1OCC[C@]12CCCN2CCCCCC[N@H+]1CCC[C@@]12CCOC2=O ZINC000186715102 548179610 /nfs/dbraw/zinc/17/96/10/548179610.db2.gz CCLABCZJRIKJCZ-BGYRXZFFSA-N 1 3 364.486 2.110 20 0 FEADHO O=C1OCC[C@@]12CCCN2CCCCCC[N@@H+]1CCC[C@@]12CCOC2=O ZINC000186715085 548179820 /nfs/dbraw/zinc/17/98/20/548179820.db2.gz CCLABCZJRIKJCZ-PMACEKPBSA-N 1 3 364.486 2.110 20 0 FEADHO O=C1OCC[C@@]12CCCN2CCCCCC[N@H+]1CCC[C@@]12CCOC2=O ZINC000186715085 548179823 /nfs/dbraw/zinc/17/98/23/548179823.db2.gz CCLABCZJRIKJCZ-PMACEKPBSA-N 1 3 364.486 2.110 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000187011903 548240894 /nfs/dbraw/zinc/24/08/94/548240894.db2.gz XNASDYDYZBNGFW-HCXYKTFWSA-N 1 3 353.551 2.218 20 0 FEADHO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000486097560 561338034 /nfs/dbraw/zinc/33/80/34/561338034.db2.gz YETMVWKIPJEFAW-BIRZXAFVSA-N 1 3 374.525 2.307 20 0 FEADHO COCCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000486097560 561338035 /nfs/dbraw/zinc/33/80/35/561338035.db2.gz YETMVWKIPJEFAW-BIRZXAFVSA-N 1 3 374.525 2.307 20 0 FEADHO COCCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000486097560 561338036 /nfs/dbraw/zinc/33/80/36/561338036.db2.gz YETMVWKIPJEFAW-BIRZXAFVSA-N 1 3 374.525 2.307 20 0 FEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486660792 561353805 /nfs/dbraw/zinc/35/38/05/561353805.db2.gz WBRLCQNIZZNYLC-BHIYHBOVSA-N 1 3 367.497 2.466 20 0 FEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486660792 561353806 /nfs/dbraw/zinc/35/38/06/561353806.db2.gz WBRLCQNIZZNYLC-BHIYHBOVSA-N 1 3 367.497 2.466 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)c2csc(CC[NH3+])n2)CCN1Cc1ccccc1 ZINC000194834248 548539258 /nfs/dbraw/zinc/53/92/58/548539258.db2.gz HSNVLQGSTGMRIS-GDBMZVCRSA-N 1 3 358.511 2.427 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)C[C@@H]1CSCCN1 ZINC000237513008 548831155 /nfs/dbraw/zinc/83/11/55/548831155.db2.gz UUPRTECYMSFZPK-QRQLOZEOSA-N 1 3 361.555 2.451 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)C[C@@H]1CSCCN1 ZINC000237513008 548831160 /nfs/dbraw/zinc/83/11/60/548831160.db2.gz UUPRTECYMSFZPK-QRQLOZEOSA-N 1 3 361.555 2.451 20 0 FEADHO C[C@]1(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000237550989 548833167 /nfs/dbraw/zinc/83/31/67/548833167.db2.gz RTVRKUIXGJCEMF-QFIPXVFZSA-N 1 3 372.557 2.090 20 0 FEADHO C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)[C@H](N)c1ccccc1 ZINC000237703789 548845613 /nfs/dbraw/zinc/84/56/13/548845613.db2.gz VBOJDPANBXHUKA-MJGOQNOKSA-N 1 3 359.514 2.474 20 0 FEADHO [NH3+][C@@H]1CC[C@@H](C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000237939672 548866026 /nfs/dbraw/zinc/86/60/26/548866026.db2.gz CREHKYSZWJOLDM-RTBURBONSA-N 1 3 359.514 2.301 20 0 FEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000245398474 548907321 /nfs/dbraw/zinc/90/73/21/548907321.db2.gz SSUBTUMWCKBZRC-RCCFBDPRSA-N 1 3 368.566 2.248 20 0 FEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000245398474 548907322 /nfs/dbraw/zinc/90/73/22/548907322.db2.gz SSUBTUMWCKBZRC-RCCFBDPRSA-N 1 3 368.566 2.248 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1[C@H](C)CC[C@@H]1C ZINC000245745148 548987825 /nfs/dbraw/zinc/98/78/25/548987825.db2.gz FTIAUOKRVLGBFU-NZKYLMMGSA-N 1 3 351.535 2.132 20 0 FEADHO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000246037983 549040095 /nfs/dbraw/zinc/04/00/95/549040095.db2.gz AHIZINUAIZPKBU-UXHICEINSA-N 1 3 371.525 2.445 20 0 FEADHO COc1ccccc1CC(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000246037983 549040097 /nfs/dbraw/zinc/04/00/97/549040097.db2.gz AHIZINUAIZPKBU-UXHICEINSA-N 1 3 371.525 2.445 20 0 FEADHO COc1ccccc1CC(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000246037983 549040103 /nfs/dbraw/zinc/04/01/03/549040103.db2.gz AHIZINUAIZPKBU-UXHICEINSA-N 1 3 371.525 2.445 20 0 FEADHO CC(C)C[C@H](CNC(=O)[C@H]1CN2CCN1CCC2)[NH2+][C@H](C)c1ccccc1 ZINC000488279344 561387330 /nfs/dbraw/zinc/38/73/30/561387330.db2.gz JRXILZWMXCTEQB-HMXCVIKNSA-N 1 3 372.557 2.258 20 0 FEADHO CC[N@@H+]1CC[C@@H](NCCNC(=O)c2cccc(Br)c2)[C@@H](C)C1 ZINC000246300123 549100147 /nfs/dbraw/zinc/10/01/47/549100147.db2.gz CYLGOGDZJTVZPK-XJKSGUPXSA-N 1 3 368.319 2.499 20 0 FEADHO CC[N@H+]1CC[C@@H](NCCNC(=O)c2cccc(Br)c2)[C@@H](C)C1 ZINC000246300123 549100150 /nfs/dbraw/zinc/10/01/50/549100150.db2.gz CYLGOGDZJTVZPK-XJKSGUPXSA-N 1 3 368.319 2.499 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000246833460 549225073 /nfs/dbraw/zinc/22/50/73/549225073.db2.gz APJMCWBPFRKLJV-GJZGRUSLSA-N 1 3 373.588 2.393 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000246833460 549225075 /nfs/dbraw/zinc/22/50/75/549225075.db2.gz APJMCWBPFRKLJV-GJZGRUSLSA-N 1 3 373.588 2.393 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NCc2ccccc2)[C@H](C)C1 ZINC000246957554 549250272 /nfs/dbraw/zinc/25/02/72/549250272.db2.gz IQWUKBYQFKJLTL-GGPKGHCWSA-N 1 3 361.530 2.418 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)[C@H](C)C1 ZINC000247077932 549279286 /nfs/dbraw/zinc/27/92/86/549279286.db2.gz XLLJSDLUKLRADL-MTNOOBJLSA-N 1 3 366.550 2.048 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)[C@H](C)C1 ZINC000247077932 549279288 /nfs/dbraw/zinc/27/92/88/549279288.db2.gz XLLJSDLUKLRADL-MTNOOBJLSA-N 1 3 366.550 2.048 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@H]2CCCN(C)C2)[C@H](C)C1 ZINC000247083087 549280526 /nfs/dbraw/zinc/28/05/26/549280526.db2.gz DEHURSFVMPGEFM-QYZOEREBSA-N 1 3 368.566 2.107 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)C[C@H]2CCCN(C)C2)[C@H](C)C1 ZINC000247083087 549280528 /nfs/dbraw/zinc/28/05/28/549280528.db2.gz DEHURSFVMPGEFM-QYZOEREBSA-N 1 3 368.566 2.107 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000489601397 561415182 /nfs/dbraw/zinc/41/51/82/561415182.db2.gz CNHKUBNVZXAWID-ZWKOTPCHSA-N 1 3 350.551 2.480 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000489601397 561415183 /nfs/dbraw/zinc/41/51/83/561415183.db2.gz CNHKUBNVZXAWID-ZWKOTPCHSA-N 1 3 350.551 2.480 20 0 FEADHO CN(C)C1(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)Cc2ccccc2C1 ZINC000489625332 561415807 /nfs/dbraw/zinc/41/58/07/561415807.db2.gz ZDCUNOUIWNPYTC-OALUTQOASA-N 1 3 358.530 2.258 20 0 FEADHO CC[NH+](CC)C[C@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000249298837 549578982 /nfs/dbraw/zinc/57/89/82/549578982.db2.gz NRJBFQXAVSLAQU-UYAOXDASSA-N 1 3 360.546 2.069 20 0 FEADHO C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)N1[C@H](C)CC[C@H]1C ZINC000253545466 549692503 /nfs/dbraw/zinc/69/25/03/549692503.db2.gz WARZQYDFKMYGCX-GUDVDZBRSA-N 1 3 364.578 2.314 20 0 FEADHO C[C@@H](NC1(CNC(=O)CC[C@H]2CC[NH2+]C2)CCOCC1)c1ccccc1 ZINC000261885840 549765636 /nfs/dbraw/zinc/76/56/36/549765636.db2.gz SJHYBRLFPNRQJT-MSOLQXFVSA-N 1 3 359.514 2.392 20 0 FEADHO CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000261961371 549774401 /nfs/dbraw/zinc/77/44/01/549774401.db2.gz OWRGXKZPXGQQJN-AWEZNQCLSA-N 1 3 368.319 2.468 20 0 FEADHO CCOC(=O)Cn1nc(C)c(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1C ZINC000262023359 549781491 /nfs/dbraw/zinc/78/14/91/549781491.db2.gz WIKLOVFBCBDITL-QUCCMNQESA-N 1 3 370.497 2.237 20 0 FEADHO c1ccc(OCc2cccnc2)c(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262178117 549795343 /nfs/dbraw/zinc/79/53/43/549795343.db2.gz WGJLNKLDMCEEEQ-FQEVSTJZSA-N 1 3 352.482 2.140 20 0 FEADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)COc3ccccc3)CC2)C[C@H](C)O1 ZINC000263782937 549936221 /nfs/dbraw/zinc/93/62/21/549936221.db2.gz VYMFAPCXMIUYOM-NSHGMRRFSA-N 1 3 362.514 2.248 20 0 FEADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)COc3ccccc3)CC2)C[C@@H](C)O1 ZINC000263782933 549936254 /nfs/dbraw/zinc/93/62/54/549936254.db2.gz VYMFAPCXMIUYOM-GGPKGHCWSA-N 1 3 362.514 2.248 20 0 FEADHO CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c2C1 ZINC000264003775 549966886 /nfs/dbraw/zinc/96/68/86/549966886.db2.gz ZZAUNLKRAOPYNC-HUUCEWRRSA-N 1 3 360.502 2.052 20 0 FEADHO COc1ccccc1-c1ncc(CNCCN2CCC([NH+](C)C)CC2)cn1 ZINC000491222246 561443942 /nfs/dbraw/zinc/44/39/42/561443942.db2.gz FNIMMWQYRZSDBD-UHFFFAOYSA-N 1 3 369.513 2.268 20 0 FEADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(N2CCOCC2)c1 ZINC000268770355 550114206 /nfs/dbraw/zinc/11/42/06/550114206.db2.gz POLMKGGZWODSHQ-GOSISDBHSA-N 1 3 360.546 2.200 20 0 FEADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000268799355 550117389 /nfs/dbraw/zinc/11/73/89/550117389.db2.gz APGUADVOOONFRO-SJLPKXTDSA-N 1 3 358.486 2.106 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000268830690 550120825 /nfs/dbraw/zinc/12/08/25/550120825.db2.gz DZMHDZNKQQEQMR-ICSRJNTNSA-N 1 3 361.530 2.372 20 0 FEADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000268844202 550122874 /nfs/dbraw/zinc/12/28/74/550122874.db2.gz PGJJCLROVQPODE-FXAWDEMLSA-N 1 3 358.530 2.175 20 0 FEADHO C[N@@H+]1CC[C@H]2CCN(C(=O)CCCN3CCN(c4ccccc4)CC3)[C@H]2C1 ZINC000493469390 561456264 /nfs/dbraw/zinc/45/62/64/561456264.db2.gz ZKFWRHWDEILFJI-FPOVZHCZSA-N 1 3 370.541 2.141 20 0 FEADHO C[N@H+]1CC[C@H]2CCN(C(=O)CCCN3CCN(c4ccccc4)CC3)[C@H]2C1 ZINC000493469390 561456265 /nfs/dbraw/zinc/45/62/65/561456265.db2.gz ZKFWRHWDEILFJI-FPOVZHCZSA-N 1 3 370.541 2.141 20 0 FEADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000271042284 550334516 /nfs/dbraw/zinc/33/45/16/550334516.db2.gz RFRAQUUYOUSYKK-FQEVSTJZSA-N 1 3 373.541 2.305 20 0 FEADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000271042284 550334518 /nfs/dbraw/zinc/33/45/18/550334518.db2.gz RFRAQUUYOUSYKK-FQEVSTJZSA-N 1 3 373.541 2.305 20 0 FEADHO CSCC[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000272489556 550453118 /nfs/dbraw/zinc/45/31/18/550453118.db2.gz SVFLPADVBHKHHI-YOEHRIQHSA-N 1 3 351.516 2.426 20 0 FEADHO CSCC[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000272489556 550453120 /nfs/dbraw/zinc/45/31/20/550453120.db2.gz SVFLPADVBHKHHI-YOEHRIQHSA-N 1 3 351.516 2.426 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000494686005 561474293 /nfs/dbraw/zinc/47/42/93/561474293.db2.gz AEGOXJZRZVTHJA-SQNIBIBYSA-N 1 3 366.550 2.144 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@H+]1CCCC[C@H]1C ZINC000494686005 561474294 /nfs/dbraw/zinc/47/42/94/561474294.db2.gz AEGOXJZRZVTHJA-SQNIBIBYSA-N 1 3 366.550 2.144 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000494686002 561474351 /nfs/dbraw/zinc/47/43/51/561474351.db2.gz AEGOXJZRZVTHJA-KZNAEPCWSA-N 1 3 366.550 2.144 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000494686002 561474352 /nfs/dbraw/zinc/47/43/52/561474352.db2.gz AEGOXJZRZVTHJA-KZNAEPCWSA-N 1 3 366.550 2.144 20 0 FEADHO CCOCC[C@@H](O)C[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000277590867 550688624 /nfs/dbraw/zinc/68/86/24/550688624.db2.gz VRTBGFNAYLCSPQ-NHCUHLMSSA-N 1 3 364.530 2.151 20 0 FEADHO CCOCC[C@@H](O)C[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000277590867 550688626 /nfs/dbraw/zinc/68/86/26/550688626.db2.gz VRTBGFNAYLCSPQ-NHCUHLMSSA-N 1 3 364.530 2.151 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CCCO1 ZINC000277718981 550706333 /nfs/dbraw/zinc/70/63/33/550706333.db2.gz PKENKHSYRUMIGC-YZGWKJHDSA-N 1 3 374.529 2.232 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CCCO1 ZINC000277718981 550706335 /nfs/dbraw/zinc/70/63/35/550706335.db2.gz PKENKHSYRUMIGC-YZGWKJHDSA-N 1 3 374.529 2.232 20 0 FEADHO C[C@H]1CCN(C)CCN1C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000495042780 561481552 /nfs/dbraw/zinc/48/15/52/561481552.db2.gz ZNWBIYSGXIUNAZ-KRWDZBQOSA-N 1 3 359.514 2.057 20 0 FEADHO C[NH+](C)CCOc1ccccc1CNCCN1C(=O)c2ccccc2C1=O ZINC000278912708 550835129 /nfs/dbraw/zinc/83/51/29/550835129.db2.gz SUZKGPPEXMQSCK-UHFFFAOYSA-N 1 3 367.449 2.013 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278998742 550845202 /nfs/dbraw/zinc/84/52/02/550845202.db2.gz LYHBROGFPKGPHP-LSDHHAIUSA-N 1 3 373.526 2.190 20 0 FEADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000279138733 550858102 /nfs/dbraw/zinc/85/81/02/550858102.db2.gz YZTPTANYYHCTEY-UHFFFAOYSA-N 1 3 371.525 2.134 20 0 FEADHO C[C@H]1C[C@@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000279929212 550943965 /nfs/dbraw/zinc/94/39/65/550943965.db2.gz PHTHEYZVCRAELQ-HOTGVXAUSA-N 1 3 363.477 2.173 20 0 FEADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)[C@H]1C ZINC000280250691 550974488 /nfs/dbraw/zinc/97/44/88/550974488.db2.gz KRWFPPDZIVFXTN-FVCZOJIISA-N 1 3 360.498 2.321 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H](CC[NH3+])C3)cc2)CC1 ZINC000282007962 551168539 /nfs/dbraw/zinc/16/85/39/551168539.db2.gz RATVVTAEGVVUQD-GOSISDBHSA-N 1 3 358.530 2.418 20 0 FEADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1 ZINC000282016164 551169702 /nfs/dbraw/zinc/16/97/02/551169702.db2.gz KAOUKQBSGKTAAW-RBUKOAKNSA-N 1 3 359.514 2.344 20 0 FEADHO OCCOC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000282707040 551262026 /nfs/dbraw/zinc/26/20/26/551262026.db2.gz LFYIGKNXMBGAIC-PWRODBHTSA-N 1 3 374.525 2.045 20 0 FEADHO CC(C)[C@@H](CNC(=O)N1CC[C@H]2CCN(C)C[C@H]21)[NH+]1CCC(C)CC1 ZINC000498150663 561517003 /nfs/dbraw/zinc/51/70/03/561517003.db2.gz HWGDVUMSQXGBEM-GUDVDZBRSA-N 1 3 350.551 2.479 20 0 FEADHO CN1CCN(CCCNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000498203539 561518418 /nfs/dbraw/zinc/51/84/18/561518418.db2.gz DOIWTBHUAXTUSG-JAXLGGSGSA-N 1 3 372.557 2.389 20 0 FEADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000498206807 561518566 /nfs/dbraw/zinc/51/85/66/561518566.db2.gz OANALLQCHVOAGU-RBBKRZOGSA-N 1 3 372.557 2.218 20 0 FEADHO CCc1cnccc1CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000498722359 561532629 /nfs/dbraw/zinc/53/26/29/561532629.db2.gz OFRYREKLQFGVBM-IBGZPJMESA-N 1 3 361.534 2.202 20 0 FEADHO CCc1cnccc1CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000498722359 561532630 /nfs/dbraw/zinc/53/26/30/561532630.db2.gz OFRYREKLQFGVBM-IBGZPJMESA-N 1 3 361.534 2.202 20 0 FEADHO CC[N@H+](CCNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1)C1CC1 ZINC000285190085 551718021 /nfs/dbraw/zinc/71/80/21/551718021.db2.gz AWGOUHRMVQBPTM-UHFFFAOYSA-N 1 3 374.529 2.443 20 0 FEADHO CC[N@@H+](CCNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1)C1CC1 ZINC000285190085 551718022 /nfs/dbraw/zinc/71/80/22/551718022.db2.gz AWGOUHRMVQBPTM-UHFFFAOYSA-N 1 3 374.529 2.443 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000285480290 551763054 /nfs/dbraw/zinc/76/30/54/551763054.db2.gz BKJGWZYRKQTSEV-MRXNPFEDSA-N 1 3 360.502 2.086 20 0 FEADHO Cc1nccn1CCCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286168799 551856734 /nfs/dbraw/zinc/85/67/34/551856734.db2.gz WRYBUONIIHLPFF-QFIPXVFZSA-N 1 3 367.541 2.474 20 0 FEADHO Cc1nccn1CCCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286168799 551856736 /nfs/dbraw/zinc/85/67/36/551856736.db2.gz WRYBUONIIHLPFF-QFIPXVFZSA-N 1 3 367.541 2.474 20 0 FEADHO CN1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000286568004 551900934 /nfs/dbraw/zinc/90/09/34/551900934.db2.gz FJFHVRYYVCSMDY-OAQYLSRUSA-N 1 3 356.514 2.388 20 0 FEADHO CN1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000286568004 551900935 /nfs/dbraw/zinc/90/09/35/551900935.db2.gz FJFHVRYYVCSMDY-OAQYLSRUSA-N 1 3 356.514 2.388 20 0 FEADHO CCN1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)CC1 ZINC000286992155 551949187 /nfs/dbraw/zinc/94/91/87/551949187.db2.gz GNNPCPPZTSGNHY-UHFFFAOYSA-N 1 3 369.513 2.326 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000287583762 552021927 /nfs/dbraw/zinc/02/19/27/552021927.db2.gz HODWHHMVWPDDRV-HOTGVXAUSA-N 1 3 373.419 2.178 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000287587901 552022536 /nfs/dbraw/zinc/02/25/36/552022536.db2.gz KYABZLQMKAOIAB-LNLFQRSKSA-N 1 3 362.518 2.470 20 0 FEADHO CCC[NH+]1CCC(NC[C@](C)(O)Cc2ccc(OC)c(OC)c2)CC1 ZINC000290041324 552418470 /nfs/dbraw/zinc/41/84/70/552418470.db2.gz DLPURBJGEIKPLD-HXUWFJFHSA-N 1 3 350.503 2.461 20 0 FEADHO CCOc1cc(C[NH2+]C[C@H](C)CN(C)C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000291764932 552659298 /nfs/dbraw/zinc/65/92/98/552659298.db2.gz RZAOFIFLZAPAFP-HOTGVXAUSA-N 1 3 365.518 2.228 20 0 FEADHO O=C(CC[C@@H]1CCC[NH2+]1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000291996485 552682725 /nfs/dbraw/zinc/68/27/25/552682725.db2.gz BTEJZRXHMWBOEI-IBGZPJMESA-N 1 3 358.530 2.237 20 0 FEADHO CC[N@H+](CC[C@@H]1CCCN1C)C[C@@H](O)COc1ccc(CCOC)cc1 ZINC000292954216 552774476 /nfs/dbraw/zinc/77/44/76/552774476.db2.gz KUSVWIULYCUTMB-VQTJNVASSA-N 1 3 364.530 2.421 20 0 FEADHO CC[N@@H+](CC[C@@H]1CCCN1C)C[C@@H](O)COc1ccc(CCOC)cc1 ZINC000292954216 552774478 /nfs/dbraw/zinc/77/44/78/552774478.db2.gz KUSVWIULYCUTMB-VQTJNVASSA-N 1 3 364.530 2.421 20 0 FEADHO C[NH+](C)CCOc1cccc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000294102933 552882098 /nfs/dbraw/zinc/88/20/98/552882098.db2.gz FJSABVUZECURLA-SJLPKXTDSA-N 1 3 354.516 2.072 20 0 FEADHO C[C@@H]1CN(Cc2cc(Cl)cc(C[N@@H+]3C[C@@H](C)[C@H](CO)C3)c2)C[C@H]1CO ZINC000295971049 553083032 /nfs/dbraw/zinc/08/30/32/553083032.db2.gz KFUQIJHOHFRIHH-LTDCPUDJSA-N 1 3 366.933 2.460 20 0 FEADHO C[C@@H]1CN(Cc2cc(Cl)cc(C[N@H+]3C[C@@H](C)[C@H](CO)C3)c2)C[C@H]1CO ZINC000295971049 553083036 /nfs/dbraw/zinc/08/30/36/553083036.db2.gz KFUQIJHOHFRIHH-LTDCPUDJSA-N 1 3 366.933 2.460 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297530732 553305069 /nfs/dbraw/zinc/30/50/69/553305069.db2.gz OGXCXRQUVIXNDZ-MQVJKMGUSA-N 1 3 350.532 2.447 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297530732 553305070 /nfs/dbraw/zinc/30/50/70/553305070.db2.gz OGXCXRQUVIXNDZ-MQVJKMGUSA-N 1 3 350.532 2.447 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)N2CCCC2)cc1 ZINC000503501347 561642910 /nfs/dbraw/zinc/64/29/10/561642910.db2.gz GMGOAYFFBUMTOW-FXAWDEMLSA-N 1 3 372.513 2.368 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)N2CCCC2)cc1 ZINC000503501347 561642911 /nfs/dbraw/zinc/64/29/11/561642911.db2.gz GMGOAYFFBUMTOW-FXAWDEMLSA-N 1 3 372.513 2.368 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)n1nc(C)cc1C ZINC000505822611 561681854 /nfs/dbraw/zinc/68/18/54/561681854.db2.gz AWQCDDQEIKFYHD-RBUKOAKNSA-N 1 3 363.550 2.326 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)n1nc(C)cc1C ZINC000505822611 561681857 /nfs/dbraw/zinc/68/18/57/561681857.db2.gz AWQCDDQEIKFYHD-RBUKOAKNSA-N 1 3 363.550 2.326 20 0 FEADHO Cc1ccc([C@@H](C)[C@@H](O)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000332770083 554511920 /nfs/dbraw/zinc/51/19/20/554511920.db2.gz PGDUUEGENMYMET-DYESRHJHSA-N 1 3 373.541 2.134 20 0 FEADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CCCN1C1CCCC1 ZINC000332774131 554512505 /nfs/dbraw/zinc/51/25/05/554512505.db2.gz KSHSEKPOUOZRSC-HSALFYBXSA-N 1 3 363.546 2.278 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)c(C)c2)CC1 ZINC000333132008 554577499 /nfs/dbraw/zinc/57/74/99/554577499.db2.gz JRUWBKGFBNHCQZ-PXNSSMCTSA-N 1 3 371.529 2.353 20 0 FEADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000333226444 554591316 /nfs/dbraw/zinc/59/13/16/554591316.db2.gz BBOUCJXFQGIHBD-LPHOPBHVSA-N 1 3 365.543 2.065 20 0 FEADHO CN1CC[C@H]2[C@@H](CCCN2C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000333487553 554617566 /nfs/dbraw/zinc/61/75/66/554617566.db2.gz GJDBFBIWWXWPGH-YBQNFFGRSA-N 1 3 360.546 2.266 20 0 FEADHO [NH3+]C1(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)C2CC3CC(C2)CC1C3 ZINC000333905025 554654433 /nfs/dbraw/zinc/65/44/33/554654433.db2.gz JPNKQFGXEYCMJR-PRYZXDJCSA-N 1 3 360.546 2.410 20 0 FEADHO CN1CCC(N2CCC([NH2+]C3CCN(c4nccs4)CC3)CC2)CC1 ZINC000360715888 554886509 /nfs/dbraw/zinc/88/65/09/554886509.db2.gz HIYLZDOSTVGGEE-UHFFFAOYSA-N 1 3 363.575 2.260 20 0 FEADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2c(C)nn(C)c2N2CCCN(C)CC2)C1(C)C ZINC000361026584 554901172 /nfs/dbraw/zinc/90/11/72/554901172.db2.gz BQZJJBJTBGHCJJ-ZTFGCOKTSA-N 1 3 363.550 2.020 20 0 FEADHO C[C@H]1CN(CCN2CCCc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362079581 554948532 /nfs/dbraw/zinc/94/85/32/554948532.db2.gz PUPBMAHVUWIIFU-PZJWPPBQSA-N 1 3 356.558 2.397 20 0 FEADHO C[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)CN1CCCC1 ZINC000362198521 554955685 /nfs/dbraw/zinc/95/56/85/554955685.db2.gz GQYKGYCHDAPGEY-HNNXBMFYSA-N 1 3 371.572 2.223 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000362370612 554967024 /nfs/dbraw/zinc/96/70/24/554967024.db2.gz YTALPUPVFGTOET-UHFFFAOYSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@H](C(=O)NC1CCN(CCc2ccncc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000363076665 555024891 /nfs/dbraw/zinc/02/48/91/555024891.db2.gz VUNWZOQUVXAHOE-FGTMMUONSA-N 1 3 358.530 2.466 20 0 FEADHO C[C@H](C(=O)NC1CCN(CCc2ccncc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000363076665 555024893 /nfs/dbraw/zinc/02/48/93/555024893.db2.gz VUNWZOQUVXAHOE-FGTMMUONSA-N 1 3 358.530 2.466 20 0 FEADHO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000364133817 555256234 /nfs/dbraw/zinc/25/62/34/555256234.db2.gz XFSIAKFJSOZMQU-CUDHKJQZSA-N 1 3 359.514 2.151 20 0 FEADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000364220165 555272964 /nfs/dbraw/zinc/27/29/64/555272964.db2.gz KVYHVJPEZJOGMJ-LVCYWYKZSA-N 1 3 359.514 2.287 20 0 FEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000364220165 555272965 /nfs/dbraw/zinc/27/29/65/555272965.db2.gz KVYHVJPEZJOGMJ-LVCYWYKZSA-N 1 3 359.514 2.287 20 0 FEADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000365339017 555547942 /nfs/dbraw/zinc/54/79/42/555547942.db2.gz SQMICVFOURJILL-YTQUADARSA-N 1 3 366.550 2.048 20 0 FEADHO C[NH+](C)CC[C@H](NC(=O)N1CCCN(C2CCOCC2)CC1)C(C)(C)C ZINC000365484588 555587944 /nfs/dbraw/zinc/58/79/44/555587944.db2.gz MSQGNJRQKPYULB-SFHVURJKSA-N 1 3 368.566 2.249 20 0 FEADHO COC1(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000366329356 555813626 /nfs/dbraw/zinc/81/36/26/555813626.db2.gz NWVRVFGCHCTEQL-DOTOQJQBSA-N 1 3 365.905 2.218 20 0 FEADHO CCC[C@@H]1CNCCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000514590930 561968517 /nfs/dbraw/zinc/96/85/17/561968517.db2.gz OYJJHDVXOZBYRP-WOJBJXKFSA-N 1 3 374.529 2.061 20 0 FEADHO CCC[C@@H]1CNCCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000514590930 561968518 /nfs/dbraw/zinc/96/85/18/561968518.db2.gz OYJJHDVXOZBYRP-WOJBJXKFSA-N 1 3 374.529 2.061 20 0 FEADHO COC(=O)c1csc([C@H](C)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367614123 556097617 /nfs/dbraw/zinc/09/76/17/556097617.db2.gz HGBBPHYOZBNVSE-DZGCQCFKSA-N 1 3 351.516 2.354 20 0 FEADHO C[C@@H](C(=O)N(C)C1CCCCC1)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367619312 556098376 /nfs/dbraw/zinc/09/83/76/556098376.db2.gz SYHFVMCPHXISDG-PXNSSMCTSA-N 1 3 364.578 2.266 20 0 FEADHO Cc1ccccc1CNC(=O)[C@@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367685154 556114218 /nfs/dbraw/zinc/11/42/18/556114218.db2.gz PMAONBRTTVEYRJ-NQIIRXRSSA-N 1 3 372.557 2.100 20 0 FEADHO C[NH+]1CCC([C@H]2CCN(Cc3cnc(N4CCOCC4)s3)C2)CC1 ZINC000367689031 556115257 /nfs/dbraw/zinc/11/52/57/556115257.db2.gz QPJGPBRBLHHYFG-INIZCTEOSA-N 1 3 350.532 2.143 20 0 FEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000367846787 556153338 /nfs/dbraw/zinc/15/33/38/556153338.db2.gz CPTVHZPIECNHRZ-IRXDYDNUSA-N 1 3 354.539 2.002 20 0 FEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000367846787 556153340 /nfs/dbraw/zinc/15/33/40/556153340.db2.gz CPTVHZPIECNHRZ-IRXDYDNUSA-N 1 3 354.539 2.002 20 0 FEADHO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)c(C)s1 ZINC000514926843 561987090 /nfs/dbraw/zinc/98/70/90/561987090.db2.gz KRIRNGBBAXCELS-XHSDSOJGSA-N 1 3 371.572 2.106 20 0 FEADHO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCN2CCc2ccccc2)C1 ZINC000368410673 556300270 /nfs/dbraw/zinc/30/02/70/556300270.db2.gz CVRQPNAMKJQLNS-UXHICEINSA-N 1 3 358.530 2.287 20 0 FEADHO C[N@H+](C[C@@H](O)COc1ccccc1F)C1CCN(C2CCOCC2)CC1 ZINC000368876751 556436151 /nfs/dbraw/zinc/43/61/51/556436151.db2.gz RRKMIFQQEMNUOE-GOSISDBHSA-N 1 3 366.477 2.141 20 0 FEADHO C[N@@H+](C[C@@H](O)COc1ccccc1F)C1CCN(C2CCOCC2)CC1 ZINC000368876751 556436152 /nfs/dbraw/zinc/43/61/52/556436152.db2.gz RRKMIFQQEMNUOE-GOSISDBHSA-N 1 3 366.477 2.141 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)C[C@@H](C)O1 ZINC000369168087 556523633 /nfs/dbraw/zinc/52/36/33/556523633.db2.gz RGBWCXUAPRPTEY-VGUOSERISA-N 1 3 363.546 2.114 20 0 FEADHO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369199989 556533651 /nfs/dbraw/zinc/53/36/51/556533651.db2.gz CCEPVPBGUUHIML-HKUYNNGSSA-N 1 3 361.534 2.323 20 0 FEADHO CN1CC[C@@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H]1c1cccnc1 ZINC000369637955 556654591 /nfs/dbraw/zinc/65/45/91/556654591.db2.gz JDCAUWZKXNKRLG-ICSRJNTNSA-N 1 3 371.529 2.248 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000370304519 556835083 /nfs/dbraw/zinc/83/50/83/556835083.db2.gz YWOROOJBHRIJCF-FXAWDEMLSA-N 1 3 373.545 2.070 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000370304519 556835086 /nfs/dbraw/zinc/83/50/86/556835086.db2.gz YWOROOJBHRIJCF-FXAWDEMLSA-N 1 3 373.545 2.070 20 0 FEADHO [NH3+]C[C@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC12CCOCC2 ZINC000516768658 562057158 /nfs/dbraw/zinc/05/71/58/562057158.db2.gz PGBRMCFNEQZQDU-IBGZPJMESA-N 1 3 357.498 2.110 20 0 FEADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCCNC(=O)c1ccccc1F ZINC000370677301 556937418 /nfs/dbraw/zinc/93/74/18/556937418.db2.gz UKBIEPFTBLLBLK-MDZRGWNJSA-N 1 3 363.477 2.035 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCCNC(=O)c1ccccc1F ZINC000370677301 556937420 /nfs/dbraw/zinc/93/74/20/556937420.db2.gz UKBIEPFTBLLBLK-MDZRGWNJSA-N 1 3 363.477 2.035 20 0 FEADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000370677646 556937451 /nfs/dbraw/zinc/93/74/51/556937451.db2.gz YQDNQHLNJLJEQH-YSIASYRMSA-N 1 3 359.514 2.204 20 0 FEADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000370677646 556937453 /nfs/dbraw/zinc/93/74/53/556937453.db2.gz YQDNQHLNJLJEQH-YSIASYRMSA-N 1 3 359.514 2.204 20 0 FEADHO COCCOc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000370697728 556943671 /nfs/dbraw/zinc/94/36/71/556943671.db2.gz LZXXWSJJWDJUPB-UYAOXDASSA-N 1 3 361.530 2.170 20 0 FEADHO COCCOc1ccccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000370697728 556943674 /nfs/dbraw/zinc/94/36/74/556943674.db2.gz LZXXWSJJWDJUPB-UYAOXDASSA-N 1 3 361.530 2.170 20 0 FEADHO COCCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370703925 556944838 /nfs/dbraw/zinc/94/48/38/556944838.db2.gz VMBAVHPVEWGRAJ-WIYYLYMNSA-N 1 3 361.530 2.170 20 0 FEADHO COCCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370703925 556944839 /nfs/dbraw/zinc/94/48/39/556944839.db2.gz VMBAVHPVEWGRAJ-WIYYLYMNSA-N 1 3 361.530 2.170 20 0 FEADHO C[C@@H]1CCC[C@H](NC(=O)CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1C ZINC000371259652 557122642 /nfs/dbraw/zinc/12/26/42/557122642.db2.gz JBBSYWNCALOSPR-JYBIWHBTSA-N 1 3 364.578 2.028 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cn(C)nc2-c2cccnc2)C1 ZINC000371311511 557141465 /nfs/dbraw/zinc/14/14/65/557141465.db2.gz XBKKVSLTMHHGLV-LJQANCHMSA-N 1 3 357.502 2.415 20 0 FEADHO CS[C@@H]1CN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)C[C@@H]1N(C)C ZINC000371353906 557157935 /nfs/dbraw/zinc/15/79/35/557157935.db2.gz KEOSISMPBMBNAQ-ZWKOTPCHSA-N 1 3 362.543 2.110 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000517423260 562089888 /nfs/dbraw/zinc/08/98/88/562089888.db2.gz UGRVZKCOGCWBLG-KRWDZBQOSA-N 1 3 368.566 2.440 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000517423260 562089889 /nfs/dbraw/zinc/08/98/89/562089889.db2.gz UGRVZKCOGCWBLG-KRWDZBQOSA-N 1 3 368.566 2.440 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000517418661 562089705 /nfs/dbraw/zinc/08/97/05/562089705.db2.gz HZQHRRVRRHMOBH-IAGOWNOFSA-N 1 3 368.566 2.438 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000517418661 562089706 /nfs/dbraw/zinc/08/97/06/562089706.db2.gz HZQHRRVRRHMOBH-IAGOWNOFSA-N 1 3 368.566 2.438 20 0 FEADHO Cn1c2ccccc2nc1CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000371834501 557306776 /nfs/dbraw/zinc/30/67/76/557306776.db2.gz KLSLMOAXHZAKOJ-UHFFFAOYSA-N 1 3 369.557 2.465 20 0 FEADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000518535786 562113959 /nfs/dbraw/zinc/11/39/59/562113959.db2.gz NJMZFEIFZLOGED-DLBZAZTESA-N 1 3 366.509 2.374 20 0 FEADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000372192073 557404843 /nfs/dbraw/zinc/40/48/43/557404843.db2.gz LHQRWFRPPFPEGA-DBVUQKKJSA-N 1 3 361.530 2.105 20 0 FEADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000372192073 557404845 /nfs/dbraw/zinc/40/48/45/557404845.db2.gz LHQRWFRPPFPEGA-DBVUQKKJSA-N 1 3 361.530 2.105 20 0 FEADHO CN1CC[C@@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1cccnc1 ZINC000372997963 557606598 /nfs/dbraw/zinc/60/65/98/557606598.db2.gz FLVKFJWWVAMZAO-MANSERQUSA-N 1 3 357.502 2.000 20 0 FEADHO CN1CC[C@@H](CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1cccnc1 ZINC000372997963 557606601 /nfs/dbraw/zinc/60/66/01/557606601.db2.gz FLVKFJWWVAMZAO-MANSERQUSA-N 1 3 357.502 2.000 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCCO1 ZINC000373038683 557614556 /nfs/dbraw/zinc/61/45/56/557614556.db2.gz VYQYVICNECMRGY-RTBURBONSA-N 1 3 366.550 2.147 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@@H](C)n4ccnc43)CC2)CC1 ZINC000520608129 562160163 /nfs/dbraw/zinc/16/01/63/562160163.db2.gz RQNFEZRKUFWLMN-QAPCUYQASA-N 1 3 359.518 2.201 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@H](C)n4ccnc43)CC2)CC1 ZINC000520608130 562160260 /nfs/dbraw/zinc/16/02/60/562160260.db2.gz RQNFEZRKUFWLMN-YJBOKZPZSA-N 1 3 359.518 2.201 20 0 FEADHO CN1CCN(CC[NH2+]C2CCN(Cc3cccc(F)c3)CC2)CC1(C)C ZINC000374233346 557847712 /nfs/dbraw/zinc/84/77/12/557847712.db2.gz ZJFNFEKEEJQWQI-UHFFFAOYSA-N 1 3 362.537 2.406 20 0 FEADHO CCOCCCNC(=O)[C@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374843883 557939582 /nfs/dbraw/zinc/93/95/82/557939582.db2.gz JXTACHYRSFENRB-KRWDZBQOSA-N 1 3 362.518 2.161 20 0 FEADHO C[C@@H](NC(=O)N1CCN2CCC1CC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375201789 557991250 /nfs/dbraw/zinc/99/12/50/557991250.db2.gz SFRYPHRYWQYYRT-IEBWSBKVSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H](NC(=O)N1CCN2CCC1CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000375201789 557991251 /nfs/dbraw/zinc/99/12/51/557991251.db2.gz SFRYPHRYWQYYRT-IEBWSBKVSA-N 1 3 356.514 2.387 20 0 FEADHO COc1ccc(OCC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000375239706 557996622 /nfs/dbraw/zinc/99/66/22/557996622.db2.gz VJJLMZMZRQKZTD-UHFFFAOYSA-N 1 3 361.530 2.424 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000375278052 558003375 /nfs/dbraw/zinc/00/33/75/558003375.db2.gz ZQYJMOSKFFRKHB-IHPCNDPISA-N 1 3 373.545 2.448 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000375278052 558003377 /nfs/dbraw/zinc/00/33/77/558003377.db2.gz ZQYJMOSKFFRKHB-IHPCNDPISA-N 1 3 373.545 2.448 20 0 FEADHO CO[C@@H]1CCC[C@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000376020900 558115154 /nfs/dbraw/zinc/11/51/54/558115154.db2.gz IIZFAQSEPBROHZ-QFBILLFUSA-N 1 3 351.535 2.257 20 0 FEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376066397 558122274 /nfs/dbraw/zinc/12/22/74/558122274.db2.gz JNPFFFVIHAGWCD-NEWSRXKRSA-N 1 3 361.534 2.446 20 0 FEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376066397 558122275 /nfs/dbraw/zinc/12/22/75/558122275.db2.gz JNPFFFVIHAGWCD-NEWSRXKRSA-N 1 3 361.534 2.446 20 0 FEADHO C[C@@H](CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)[N@@H+]1CCC[C@H](C)C1 ZINC000376071840 558122796 /nfs/dbraw/zinc/12/27/96/558122796.db2.gz YLGAOJPHTQGNHU-ZULIPRJHSA-N 1 3 373.545 2.494 20 0 FEADHO C[C@@H](CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)[N@H+]1CCC[C@H](C)C1 ZINC000376071840 558122799 /nfs/dbraw/zinc/12/27/99/558122799.db2.gz YLGAOJPHTQGNHU-ZULIPRJHSA-N 1 3 373.545 2.494 20 0 FEADHO C[N@H+](CCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C1CC1 ZINC000376078003 558123561 /nfs/dbraw/zinc/12/35/61/558123561.db2.gz CSMBAIPARYMAEZ-UHFFFAOYSA-N 1 3 362.440 2.185 20 0 FEADHO C[N@@H+](CCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C1CC1 ZINC000376078003 558123563 /nfs/dbraw/zinc/12/35/63/558123563.db2.gz CSMBAIPARYMAEZ-UHFFFAOYSA-N 1 3 362.440 2.185 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC(=O)N3C)CC[C@@H]1N1CCN(C)CC1 ZINC000376322980 558157973 /nfs/dbraw/zinc/15/79/73/558157973.db2.gz FYRHDHARLZDTHR-XLIONFOSSA-N 1 3 370.541 2.053 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC(=O)N3C)CC[C@@H]1N1CCN(C)CC1 ZINC000376322980 558157974 /nfs/dbraw/zinc/15/79/74/558157974.db2.gz FYRHDHARLZDTHR-XLIONFOSSA-N 1 3 370.541 2.053 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)CC1 ZINC000376652611 558203249 /nfs/dbraw/zinc/20/32/49/558203249.db2.gz KCYBHDMSJNBQGJ-HKUYNNGSSA-N 1 3 366.550 2.144 20 0 FEADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N(C)C1CCN(CCc2ccncc2)CC1 ZINC000377018911 558252262 /nfs/dbraw/zinc/25/22/62/558252262.db2.gz IDAOIRVAFIYZMG-KNQAVFIVSA-N 1 3 371.573 2.494 20 0 FEADHO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000377112920 558268951 /nfs/dbraw/zinc/26/89/51/558268951.db2.gz HXBXZBJEBBTNJN-YJBOKZPZSA-N 1 3 367.534 2.211 20 0 FEADHO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC2CC[NH+](C3CCCC3)CC2)C1 ZINC000377112920 558268954 /nfs/dbraw/zinc/26/89/54/558268954.db2.gz HXBXZBJEBBTNJN-YJBOKZPZSA-N 1 3 367.534 2.211 20 0 FEADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ccc(Cn2cncn2)cc1 ZINC000378151181 558491450 /nfs/dbraw/zinc/49/14/50/558491450.db2.gz OKOPGJJSFUVNCQ-DUXKGJEZSA-N 1 3 369.513 2.305 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ccc(Cn2cncn2)cc1 ZINC000378151181 558491451 /nfs/dbraw/zinc/49/14/51/558491451.db2.gz OKOPGJJSFUVNCQ-DUXKGJEZSA-N 1 3 369.513 2.305 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ccc(Cn2cncn2)cc1 ZINC000378151183 558491535 /nfs/dbraw/zinc/49/15/35/558491535.db2.gz OKOPGJJSFUVNCQ-QMMLZNLJSA-N 1 3 369.513 2.305 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ccc(Cn2cncn2)cc1 ZINC000378151183 558491537 /nfs/dbraw/zinc/49/15/37/558491537.db2.gz OKOPGJJSFUVNCQ-QMMLZNLJSA-N 1 3 369.513 2.305 20 0 FEADHO O=C(N1CCC([NH+]2CCCCC2)CC1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000523687735 562217746 /nfs/dbraw/zinc/21/77/46/562217746.db2.gz VVMHWMYJYUNUHH-QFIPXVFZSA-N 1 3 371.525 2.100 20 0 FEADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000391032829 558612994 /nfs/dbraw/zinc/61/29/94/558612994.db2.gz XAFACYCAKOEJAZ-OTYNDTSQSA-N 1 3 371.525 2.314 20 0 FEADHO CN(C)Cc1cccc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c1 ZINC000524977946 562238834 /nfs/dbraw/zinc/23/88/34/562238834.db2.gz XQXZHWZQTKRITG-UHFFFAOYSA-N 1 3 363.502 2.094 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@H]2C)ccc1C[NH+](C)C ZINC000411133047 558842572 /nfs/dbraw/zinc/84/25/72/558842572.db2.gz LNDMREQYYGVLJO-SJORKVTESA-N 1 3 374.529 2.374 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)ccc1C[NH+](C)C ZINC000411139231 558843837 /nfs/dbraw/zinc/84/38/37/558843837.db2.gz VZAJGUIJHXDKCL-NVXWUHKLSA-N 1 3 374.529 2.232 20 0 FEADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)ccc1C[NH+](C)C ZINC000411527035 558911030 /nfs/dbraw/zinc/91/10/30/558911030.db2.gz DGYXMGHIFQNHHT-QFBILLFUSA-N 1 3 372.513 2.080 20 0 FEADHO CCO[C@@H]1C[C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000411717559 558949955 /nfs/dbraw/zinc/94/99/55/558949955.db2.gz HPMGUTCLLXIKOM-ZWKOTPCHSA-N 1 3 351.535 2.303 20 0 FEADHO C[C@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCN(C2CC2)C1 ZINC000412367136 559031142 /nfs/dbraw/zinc/03/11/42/559031142.db2.gz MDIOOZKNXJRFPJ-QAPCUYQASA-N 1 3 351.560 2.147 20 0 FEADHO CCc1nc(C)c([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)s1 ZINC000414186346 559151942 /nfs/dbraw/zinc/15/19/42/559151942.db2.gz HPPBOEKTVOSURO-OAHLLOKOSA-N 1 3 366.575 2.461 20 0 FEADHO CN1CCC(C[NH2+][C@@H]2CCCc3c(O)cccc32)(N2CCOCC2)CC1 ZINC000414197137 559152641 /nfs/dbraw/zinc/15/26/41/559152641.db2.gz PGRVDJPZJRCLEH-LJQANCHMSA-N 1 3 359.514 2.156 20 0 FEADHO C[C@H](NCC1(CS(C)(=O)=O)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414320477 559156106 /nfs/dbraw/zinc/15/61/06/559156106.db2.gz AQPWRMYKWAKLQX-INIZCTEOSA-N 1 3 368.543 2.493 20 0 FEADHO C[NH+]1CCC(CNCc2cccc(Cl)c2F)(N2CCOCC2)CC1 ZINC000414478018 559167434 /nfs/dbraw/zinc/16/74/34/559167434.db2.gz CVAISVLHTXRIJJ-UHFFFAOYSA-N 1 3 355.885 2.365 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCc2cccc(CN(C)C)c2)c1 ZINC000414690438 559180103 /nfs/dbraw/zinc/18/01/03/559180103.db2.gz HZKPIKZJZKXIGX-UHFFFAOYSA-N 1 3 368.481 2.113 20 0 FEADHO C[N@@H+](Cc1cc(Br)cs1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414701014 559180843 /nfs/dbraw/zinc/18/08/43/559180843.db2.gz KAJLIYNPWGQAJL-LLVKDONJSA-N 1 3 360.321 2.140 20 0 FEADHO C[N@H+](Cc1cc(Br)cs1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414701014 559180844 /nfs/dbraw/zinc/18/08/44/559180844.db2.gz KAJLIYNPWGQAJL-LLVKDONJSA-N 1 3 360.321 2.140 20 0 FEADHO Cc1ccc(CC[N@H+](C[C@@H]2CCCO2)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414706765 559181221 /nfs/dbraw/zinc/18/12/21/559181221.db2.gz MUYBQTFOSSYIPU-SFTDATJTSA-N 1 3 373.541 2.216 20 0 FEADHO Cc1ccc(CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414706765 559181222 /nfs/dbraw/zinc/18/12/22/559181222.db2.gz MUYBQTFOSSYIPU-SFTDATJTSA-N 1 3 373.541 2.216 20 0 FEADHO C[C@H]1C[C@H](CN2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)CC[NH2+]1 ZINC000414742646 559184008 /nfs/dbraw/zinc/18/40/08/559184008.db2.gz IISOKGXSSDOMSO-JKSUJKDBSA-N 1 3 361.921 2.493 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC(NCC3([NH3+])CCCCC3)CC2)cc1 ZINC000414840866 559190316 /nfs/dbraw/zinc/19/03/16/559190316.db2.gz KQMXGFDDUMRNIQ-UHFFFAOYSA-N 1 3 365.543 2.399 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C23CCCN2CCC3)c1 ZINC000414907059 559194455 /nfs/dbraw/zinc/19/44/55/559194455.db2.gz BJCKBZIJPANHLM-UHFFFAOYSA-N 1 3 372.513 2.325 20 0 FEADHO CN1CCC(n2ccc(=NC(=O)N[C@@H](CCC[NH3+])c3ccccc3)[nH]2)CC1 ZINC000415624299 559256009 /nfs/dbraw/zinc/25/60/09/559256009.db2.gz KJXRQBPMPHWLJO-SFHVURJKSA-N 1 3 370.501 2.752 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000415670664 559260304 /nfs/dbraw/zinc/26/03/04/559260304.db2.gz BWTGFOMUGQLUDF-INIZCTEOSA-N 1 3 360.502 2.054 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](CN)C2CCCC2)cc1 ZINC000415824730 559275419 /nfs/dbraw/zinc/27/54/19/559275419.db2.gz WTNXCIIDKDOTTI-GOSISDBHSA-N 1 3 360.502 2.101 20 0 FEADHO [NH3+]Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000415970698 559286037 /nfs/dbraw/zinc/28/60/37/559286037.db2.gz FSRQLDPCXMVKRL-ICSRJNTNSA-N 1 3 368.481 2.150 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)C(F)(F)F ZINC000415993578 559287759 /nfs/dbraw/zinc/28/77/59/559287759.db2.gz JLOJDFKEOQCJAU-OAHLLOKOSA-N 1 3 358.408 2.014 20 0 FEADHO [NH3+]CC[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)C(F)(F)F ZINC000415994023 559287782 /nfs/dbraw/zinc/28/77/82/559287782.db2.gz KARPLYNDZBWYNB-CABCVRRESA-N 1 3 358.408 2.402 20 0 FEADHO CSC1(CNC(=O)CCN2CCc3ccccc3C2)CC[NH+](C)CC1 ZINC000416234082 559300007 /nfs/dbraw/zinc/30/00/07/559300007.db2.gz LVMHHMYGQDYRLQ-UHFFFAOYSA-N 1 3 361.555 2.378 20 0 FEADHO C[NH+](C)C1(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 ZINC000416307355 559304730 /nfs/dbraw/zinc/30/47/30/559304730.db2.gz KHXZAPPWIUVRRN-INIZCTEOSA-N 1 3 351.441 2.354 20 0 FEADHO COc1cccc([C@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)N2CCCC2)c1 ZINC000416840959 559334597 /nfs/dbraw/zinc/33/45/97/559334597.db2.gz GMBRCBNCZFCVDJ-IEZWGBDMSA-N 1 3 360.502 2.259 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN[C@H](C)[C@H]1C)c1cccc(OC)c1 ZINC000416918901 559338402 /nfs/dbraw/zinc/33/84/02/559338402.db2.gz JOVHAQQSEPXETC-GPMSIDNRSA-N 1 3 362.518 2.470 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416975820 559341296 /nfs/dbraw/zinc/34/12/96/559341296.db2.gz NEAGCBDBCQGIEE-QUCCMNQESA-N 1 3 356.514 2.229 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000417015781 559343904 /nfs/dbraw/zinc/34/39/04/559343904.db2.gz FYJUVBGGCRRIAS-UHFFFAOYSA-N 1 3 356.514 2.220 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)C[C@H]21 ZINC000417017713 559344096 /nfs/dbraw/zinc/34/40/96/559344096.db2.gz HIOHRBJXFQPQCD-VAMGGRTRSA-N 1 3 356.514 2.204 20 0 FEADHO CC(C)(CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)N1CCc2ccccc2C1 ZINC000417089074 559347249 /nfs/dbraw/zinc/34/72/49/559347249.db2.gz MYRPVQUCFFZWLA-MOPGFXCFSA-N 1 3 356.514 2.074 20 0 FEADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000417219427 559353623 /nfs/dbraw/zinc/35/36/23/559353623.db2.gz JJLGBHMWDWFRNA-FFGOWVMKSA-N 1 3 356.514 2.463 20 0 FEADHO CN(CCNC(=O)NC[C@H]1[NH2+]CCc2ccccc21)Cc1ccccc1 ZINC000417231112 559354046 /nfs/dbraw/zinc/35/40/46/559354046.db2.gz MHOYXXHDJNYKJG-HXUWFJFHSA-N 1 3 352.482 2.305 20 0 FEADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)N2CCCC2)cc1 ZINC000417352842 559358855 /nfs/dbraw/zinc/35/88/55/559358855.db2.gz HHHYWEVDPYLDCP-UFYCRDLUSA-N 1 3 356.514 2.383 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000417519406 559365779 /nfs/dbraw/zinc/36/57/79/559365779.db2.gz VDPMJWIRIWSYEZ-UHOSZYNNSA-N 1 3 362.518 2.136 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000417549469 559366587 /nfs/dbraw/zinc/36/65/87/559366587.db2.gz SVDZQLBXQFYTAJ-QGZVFWFLSA-N 1 3 354.539 2.083 20 0 FEADHO C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N(C)C1CC1 ZINC000417552460 559366726 /nfs/dbraw/zinc/36/67/26/559366726.db2.gz RAWFLWKRIYLYKA-SIXWZSSISA-N 1 3 362.493 2.301 20 0 FEADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417660534 559371121 /nfs/dbraw/zinc/37/11/21/559371121.db2.gz APYGSNKGPKGPEI-HOJAQTOUSA-N 1 3 370.541 2.463 20 0 FEADHO CN1CCC[C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H]1c1cccs1 ZINC000417733874 559374497 /nfs/dbraw/zinc/37/44/97/559374497.db2.gz JDOVXYCRXOLGAZ-KONPQCLYSA-N 1 3 362.543 2.382 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1Cc1ccccc1 ZINC000417873527 559380311 /nfs/dbraw/zinc/38/03/11/559380311.db2.gz LVAOWLZUPQFTOB-IJXRJRJASA-N 1 3 356.514 2.290 20 0 FEADHO C[C@H]1CN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)CN1 ZINC000417975187 559384683 /nfs/dbraw/zinc/38/46/83/559384683.db2.gz DMGMHOMZKFVRDQ-ROUUACIJSA-N 1 3 374.529 2.096 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CCCN1C ZINC000418013823 559386680 /nfs/dbraw/zinc/38/66/80/559386680.db2.gz ZUQSJQVIWRFWBF-AXYPVASZSA-N 1 3 366.456 2.192 20 0 FEADHO C[C@H]1NCCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H]1C ZINC000418104168 559390154 /nfs/dbraw/zinc/39/01/54/559390154.db2.gz JYAGMXMBXNSPTE-RMNLLRHXSA-N 1 3 362.440 2.184 20 0 FEADHO CC[NH2+][C@H](C)CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418110365 559390454 /nfs/dbraw/zinc/39/04/54/559390454.db2.gz WEPAHLTZXAXGBC-LMWSTFAQSA-N 1 3 350.429 2.089 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000418149090 559391971 /nfs/dbraw/zinc/39/19/71/559391971.db2.gz RQICXDWBRBMNDG-HSALFYBXSA-N 1 3 356.514 2.290 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000418152499 559392100 /nfs/dbraw/zinc/39/21/00/559392100.db2.gz TZMLWSYNWNYFDZ-HSALFYBXSA-N 1 3 356.514 2.433 20 0 FEADHO COC[C@@]1(CNC(=O)NCCN2CCC3(CCCCC3)CC2)CCC[NH2+]1 ZINC000418155851 559392227 /nfs/dbraw/zinc/39/22/27/559392227.db2.gz ABUFZDZZWMESRZ-FQEVSTJZSA-N 1 3 366.550 2.101 20 0 FEADHO C[C@@H]1CN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)CC[C@@H]1[NH3+] ZINC000418165275 559392667 /nfs/dbraw/zinc/39/26/67/559392667.db2.gz IHARCCZRLUDOKF-BEFAXECRSA-N 1 3 360.502 2.038 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)NCC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000418180234 559393208 /nfs/dbraw/zinc/39/32/08/559393208.db2.gz JZSSVEUPRXYHMW-KRWDZBQOSA-N 1 3 374.529 2.349 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCC(C[NH3+])CC2)N(C)C)cc1 ZINC000418203173 559393999 /nfs/dbraw/zinc/39/39/99/559393999.db2.gz KAAHTJRTUNMMEH-IBGZPJMESA-N 1 3 362.518 2.457 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)N(C)C)cc1 ZINC000418216767 559394295 /nfs/dbraw/zinc/39/42/95/559394295.db2.gz ZULDYGYMPJZLKK-IEZWGBDMSA-N 1 3 362.518 2.455 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)N(C)C)cc1 ZINC000418231359 559394817 /nfs/dbraw/zinc/39/48/17/559394817.db2.gz LEEZCPXUTWWONS-CPUCHLNUSA-N 1 3 350.532 2.403 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@@H](C)NC[C@H]2C)[NH+](C)C)cc1 ZINC000418231359 559394818 /nfs/dbraw/zinc/39/48/18/559394818.db2.gz LEEZCPXUTWWONS-CPUCHLNUSA-N 1 3 350.532 2.403 20 0 FEADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@H](CC[NH3+])C(F)F)CCC1 ZINC000418236866 559395030 /nfs/dbraw/zinc/39/50/30/559395030.db2.gz CDEFQWLLRNXRGP-OAHLLOKOSA-N 1 3 354.445 2.323 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000418239103 559395174 /nfs/dbraw/zinc/39/51/74/559395174.db2.gz YHFFGISXJJTYQJ-WBVHZDCISA-N 1 3 350.532 2.453 20 0 FEADHO O=C(NCCCNCc1cccnc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000418329456 559397754 /nfs/dbraw/zinc/39/77/54/559397754.db2.gz AZFFHVLOMGBLGS-IBGZPJMESA-N 1 3 359.518 2.221 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000418429558 559401153 /nfs/dbraw/zinc/40/11/53/559401153.db2.gz QLCIFNGVJDCVIW-IEBWSBKVSA-N 1 3 362.518 2.286 20 0 FEADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)Cc2ccccn2)cc1 ZINC000418470104 559402867 /nfs/dbraw/zinc/40/28/67/559402867.db2.gz UUDOLBSQPSQQME-INIZCTEOSA-N 1 3 355.486 2.375 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418538963 559405366 /nfs/dbraw/zinc/40/53/66/559405366.db2.gz LLFFIRIWIQBQOY-IBGZPJMESA-N 1 3 350.482 2.289 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418551579 559405840 /nfs/dbraw/zinc/40/58/40/559405840.db2.gz BEXRDSNCAWGQLH-RHSMWYFYSA-N 1 3 352.910 2.411 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418564961 559406417 /nfs/dbraw/zinc/40/64/17/559406417.db2.gz KKCNVUCRVPSRRY-QAPCUYQASA-N 1 3 366.456 2.146 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CCCN(CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000418616731 559408030 /nfs/dbraw/zinc/40/80/30/559408030.db2.gz YWIKGKMURXBSPD-QUCCMNQESA-N 1 3 358.530 2.477 20 0 FEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418630224 559408650 /nfs/dbraw/zinc/40/86/50/559408650.db2.gz FAOWOIHBLDABRB-HXUWFJFHSA-N 1 3 362.518 2.048 20 0 FEADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418709495 559411921 /nfs/dbraw/zinc/41/19/21/559411921.db2.gz UNVCLSARPXWQIG-YESZJQIVSA-N 1 3 354.539 2.035 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)[C@@H]2C1 ZINC000418729093 559412790 /nfs/dbraw/zinc/41/27/90/559412790.db2.gz NTPFGKDDRJDEOG-PIKOESSRSA-N 1 3 374.504 2.254 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000418745363 559413536 /nfs/dbraw/zinc/41/35/36/559413536.db2.gz GQIFZFMBABYOQJ-OAGGEKHMSA-N 1 3 358.477 2.280 20 0 FEADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000418745363 559413537 /nfs/dbraw/zinc/41/35/37/559413537.db2.gz GQIFZFMBABYOQJ-OAGGEKHMSA-N 1 3 358.477 2.280 20 0 FEADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000418802836 559416652 /nfs/dbraw/zinc/41/66/52/559416652.db2.gz VWZKPNBFGGHNBS-GVDBMIGSSA-N 1 3 360.502 2.274 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CC[NH2+]Cc2ccccc21)c1ccccc1 ZINC000420289883 559478955 /nfs/dbraw/zinc/47/89/55/559478955.db2.gz IKKTVZSPXPZUCI-HXUWFJFHSA-N 1 3 352.482 2.015 20 0 FEADHO COc1ccc(CCC(=O)N2CCCN(CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420312364 559479853 /nfs/dbraw/zinc/47/98/53/559479853.db2.gz WVCDWAOUKLQPIH-IBGZPJMESA-N 1 3 359.514 2.162 20 0 FEADHO Cc1ccc(-c2noc(CCCN3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1F ZINC000420348060 559482389 /nfs/dbraw/zinc/48/23/89/559482389.db2.gz JHUVDLIBNQKLKC-KRWDZBQOSA-N 1 3 373.476 2.096 20 0 FEADHO O=C(CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1)Nc1ccccc1Cl ZINC000420372764 559483626 /nfs/dbraw/zinc/48/36/26/559483626.db2.gz LYXWIKHSYHUBHP-INIZCTEOSA-N 1 3 364.921 2.286 20 0 FEADHO COC(=O)c1cccc(OCCN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420388063 559484718 /nfs/dbraw/zinc/48/47/18/559484718.db2.gz KUCAAYQPRSNRSR-IEBWSBKVSA-N 1 3 362.470 2.070 20 0 FEADHO CCCOc1ccc(OCC[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000420389740 559484743 /nfs/dbraw/zinc/48/47/43/559484743.db2.gz YPLQFUZWGJQUOA-QGZVFWFLSA-N 1 3 359.474 2.242 20 0 FEADHO CCCOc1ccc(OCC[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000420389740 559484744 /nfs/dbraw/zinc/48/47/44/559484744.db2.gz YPLQFUZWGJQUOA-QGZVFWFLSA-N 1 3 359.474 2.242 20 0 FEADHO O=C1N[C@@H]2CN([C@H]3CCCc4ccccc43)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420399584 559485559 /nfs/dbraw/zinc/48/55/59/559485559.db2.gz HXYLTHHFBQJFCU-HSALFYBXSA-N 1 3 354.498 2.284 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)N(C)C[C@H]3CCCN3C)CCCC2)CC1 ZINC000420787643 559504425 /nfs/dbraw/zinc/50/44/25/559504425.db2.gz KDCOVZHYJOUUNY-QGZVFWFLSA-N 1 3 366.550 2.146 20 0 FEADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000420807929 559505617 /nfs/dbraw/zinc/50/56/17/559505617.db2.gz WTXQHVPWQAPRPU-WOJBJXKFSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000420807929 559505618 /nfs/dbraw/zinc/50/56/18/559505618.db2.gz WTXQHVPWQAPRPU-WOJBJXKFSA-N 1 3 358.530 2.287 20 0 FEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@H](C)C[C@H](CO)C1 ZINC000420950860 559513562 /nfs/dbraw/zinc/51/35/62/559513562.db2.gz WTCZJCRGNJCBCF-HBFSDRIKSA-N 1 3 373.541 2.106 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(C[C@@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000420974381 559515675 /nfs/dbraw/zinc/51/56/75/559515675.db2.gz DMAXGRBVRWVHGP-NRFANRHFSA-N 1 3 363.521 2.221 20 0 FEADHO CCN1CCC([N@H+]2CCCN(C[C@@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000420974381 559515676 /nfs/dbraw/zinc/51/56/76/559515676.db2.gz DMAXGRBVRWVHGP-NRFANRHFSA-N 1 3 363.521 2.221 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000421305668 559537806 /nfs/dbraw/zinc/53/78/06/559537806.db2.gz VJAAOOQIIJVGRO-SFHVURJKSA-N 1 3 360.502 2.020 20 0 FEADHO CN(C[C@@H]1CCCN1C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000422606521 559597399 /nfs/dbraw/zinc/59/73/99/559597399.db2.gz JCDAMAYLGKDYRF-RLFYNMQTSA-N 1 3 366.456 2.146 20 0 FEADHO N[C@H]1C[C@H]([NH2+]CCCCN2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000422719434 559604294 /nfs/dbraw/zinc/60/42/94/559604294.db2.gz REGRTHOBQGPTHS-PMACEKPBSA-N 1 3 366.513 2.113 20 0 FEADHO [NH3+][C@H]1C[C@H](NCCCCN2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000422719434 559604295 /nfs/dbraw/zinc/60/42/95/559604295.db2.gz REGRTHOBQGPTHS-PMACEKPBSA-N 1 3 366.513 2.113 20 0 FEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000422758308 559605754 /nfs/dbraw/zinc/60/57/54/559605754.db2.gz JHVKTPSXNQMBPM-SJORKVTESA-N 1 3 368.529 2.105 20 0 FEADHO COc1cc2[nH]c(CCC[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)cc2c(OC)c1 ZINC000422869124 559609255 /nfs/dbraw/zinc/60/92/55/559609255.db2.gz WDZKHHBAFABSBJ-MORSLUCNSA-N 1 3 361.486 2.460 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000422928732 559611591 /nfs/dbraw/zinc/61/15/91/559611591.db2.gz MGZSXMKTDNKVHV-ZWKOTPCHSA-N 1 3 353.532 2.467 20 0 FEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000422941488 559612354 /nfs/dbraw/zinc/61/23/54/559612354.db2.gz OSWDSHBZJJRWQK-AEFFLSMTSA-N 1 3 351.516 2.078 20 0 FEADHO c1ccc(CN2CCCO[C@H](CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423070999 559617447 /nfs/dbraw/zinc/61/74/47/559617447.db2.gz DTXSRVOXQREBGY-YUMYIRISSA-N 1 3 373.541 2.024 20 0 FEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000423082454 559618102 /nfs/dbraw/zinc/61/81/02/559618102.db2.gz WUMNWXXXJNSKET-MAUKXSAKSA-N 1 3 367.559 2.127 20 0 FEADHO COc1cc(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)ccc1OCCN(C)C ZINC000423338719 559625909 /nfs/dbraw/zinc/62/59/09/559625909.db2.gz ILQUJOYKPWXPHL-GOSISDBHSA-N 1 3 363.502 2.030 20 0 FEADHO COc1ccc2c(c1)CCC[C@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423388025 559627478 /nfs/dbraw/zinc/62/74/78/559627478.db2.gz MNTVSVZYHQNEJF-SJORKVTESA-N 1 3 357.420 2.498 20 0 FEADHO COc1cc2c(cc1F)CC[C@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423392318 559627672 /nfs/dbraw/zinc/62/76/72/559627672.db2.gz QCUKHJAZSFGKIY-GDBMZVCRSA-N 1 3 361.383 2.247 20 0 FEADHO [NH3+]CC1(CC(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CC1 ZINC000423434545 559629122 /nfs/dbraw/zinc/62/91/22/559629122.db2.gz OCMWGQZREPKSNW-UHFFFAOYSA-N 1 3 359.514 2.303 20 0 FEADHO N[C@H](C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000423440056 559629241 /nfs/dbraw/zinc/62/92/41/559629241.db2.gz SWIXADLAXGNSOU-FQEVSTJZSA-N 1 3 359.514 2.301 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000423748346 559637987 /nfs/dbraw/zinc/63/79/87/559637987.db2.gz QRTMLZYVBIOLBD-MRXNPFEDSA-N 1 3 351.441 2.245 20 0 FEADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000423804819 559639976 /nfs/dbraw/zinc/63/99/76/559639976.db2.gz YNVDKUNFPROBES-SVFBPWRDSA-N 1 3 356.514 2.142 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000424439204 559664845 /nfs/dbraw/zinc/66/48/45/559664845.db2.gz NEXZTFYAUMPXCV-MRXNPFEDSA-N 1 3 360.502 2.163 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000424439204 559664846 /nfs/dbraw/zinc/66/48/46/559664846.db2.gz NEXZTFYAUMPXCV-MRXNPFEDSA-N 1 3 360.502 2.163 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000424444031 559665251 /nfs/dbraw/zinc/66/52/51/559665251.db2.gz YXXMGPTZAZHUJN-HNNXBMFYSA-N 1 3 360.502 2.021 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000424444031 559665252 /nfs/dbraw/zinc/66/52/52/559665252.db2.gz YXXMGPTZAZHUJN-HNNXBMFYSA-N 1 3 360.502 2.021 20 0 FEADHO C[C@@H](NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000424475407 559666676 /nfs/dbraw/zinc/66/66/76/559666676.db2.gz JIYCQTPNSGHVFJ-RSPOEFSDSA-N 1 3 356.514 2.290 20 0 FEADHO C[N@H+]1C[C@@H]2CCCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)[C@@H]2C1 ZINC000425652877 559713180 /nfs/dbraw/zinc/71/31/80/559713180.db2.gz MUMBNIZAZWPIKY-XUVXKRRUSA-N 1 3 356.514 2.387 20 0 FEADHO CN(CC(=O)NC1CCN(C2CC2)CC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000426721556 559740999 /nfs/dbraw/zinc/74/09/99/559740999.db2.gz CCULAQGENAQDFF-UHFFFAOYSA-N 1 3 364.578 2.316 20 0 FEADHO CC[NH+](CC)CCSCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428554983 559778310 /nfs/dbraw/zinc/77/83/10/559778310.db2.gz VVNCTSRDQZRRIT-SFHVURJKSA-N 1 3 365.543 2.267 20 0 FEADHO CN(C)CCN(C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)C1CCCC1 ZINC000429778236 559805487 /nfs/dbraw/zinc/80/54/87/559805487.db2.gz ASJLMGXBIZDGFP-UHFFFAOYSA-N 1 3 374.529 2.062 20 0 FEADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430569629 559822929 /nfs/dbraw/zinc/82/29/29/559822929.db2.gz AEUMAKWHNNWRBG-HZPDHXFCSA-N 1 3 358.486 2.201 20 0 FEADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430569624 559823072 /nfs/dbraw/zinc/82/30/72/559823072.db2.gz AEUMAKWHNNWRBG-CVEARBPZSA-N 1 3 358.486 2.201 20 0 FEADHO COc1cc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@@H](C)N)cc(OC)c1OC ZINC000430633054 559825283 /nfs/dbraw/zinc/82/52/83/559825283.db2.gz OXWCMINREKHRIQ-HIFRSBDPSA-N 1 3 365.474 2.243 20 0 FEADHO COc1cc(NC(=O)CC[N@H+]2CCCC[C@H]2[C@@H](C)N)cc(OC)c1OC ZINC000430633054 559825284 /nfs/dbraw/zinc/82/52/84/559825284.db2.gz OXWCMINREKHRIQ-HIFRSBDPSA-N 1 3 365.474 2.243 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@@H](CO)C(C)(C)C)CC1 ZINC000432809504 559865290 /nfs/dbraw/zinc/86/52/90/559865290.db2.gz XMAWJELNMXRAFT-IBGZPJMESA-N 1 3 361.530 2.072 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000432871536 559866723 /nfs/dbraw/zinc/86/67/23/559866723.db2.gz ILOKBPOOZOMIPV-UHFFFAOYSA-N 1 3 361.511 2.288 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433278016 559875421 /nfs/dbraw/zinc/87/54/21/559875421.db2.gz DEGXXRMXJPFMNQ-OALUTQOASA-N 1 3 368.566 2.441 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433278016 559875422 /nfs/dbraw/zinc/87/54/22/559875422.db2.gz DEGXXRMXJPFMNQ-OALUTQOASA-N 1 3 368.566 2.441 20 0 FEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433334350 559877290 /nfs/dbraw/zinc/87/72/90/559877290.db2.gz HHVFGGZGIJRGOT-QZTJIDSGSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433334350 559877291 /nfs/dbraw/zinc/87/72/91/559877291.db2.gz HHVFGGZGIJRGOT-QZTJIDSGSA-N 1 3 368.566 2.297 20 0 FEADHO C[NH+](C)CCOc1cccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000433553333 559884066 /nfs/dbraw/zinc/88/40/66/559884066.db2.gz JORIWFIXCUYOJY-LJQANCHMSA-N 1 3 374.529 2.443 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000439086299 559988278 /nfs/dbraw/zinc/98/82/78/559988278.db2.gz BASVBDIATKWUSP-HZPDHXFCSA-N 1 3 362.518 2.330 20 0 FEADHO CCCC[C@@H](N)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000442719529 560055200 /nfs/dbraw/zinc/05/52/00/560055200.db2.gz QETANEZMQYFZEA-LJQANCHMSA-N 1 3 352.567 2.159 20 0 FEADHO COCCCN(C)CCNC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000443301373 560078559 /nfs/dbraw/zinc/07/85/59/560078559.db2.gz MSELLDRHJCCPNM-IFMALSPDSA-N 1 3 373.541 2.373 20 0 FEADHO COCCCN(C)CCNC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000443301373 560078561 /nfs/dbraw/zinc/07/85/61/560078561.db2.gz MSELLDRHJCCPNM-IFMALSPDSA-N 1 3 373.541 2.373 20 0 FEADHO NCc1cc(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)co1 ZINC000444273277 560107719 /nfs/dbraw/zinc/10/77/19/560107719.db2.gz MNFXCSVAEXYISK-UHFFFAOYSA-N 1 3 370.497 2.066 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000446293486 560143887 /nfs/dbraw/zinc/14/38/87/560143887.db2.gz OPRZWYYUFZSHQO-UEXGIBASSA-N 1 3 363.546 2.290 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000446293484 560143937 /nfs/dbraw/zinc/14/39/37/560143937.db2.gz OPRZWYYUFZSHQO-OPYAIIAOSA-N 1 3 363.546 2.290 20 0 FEADHO CN(C)C1(CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)Cc2ccccc2C1 ZINC000449354105 560226217 /nfs/dbraw/zinc/22/62/17/560226217.db2.gz KEBMFNWUHFJHOZ-QHCPKHFHSA-N 1 3 363.505 2.133 20 0 FEADHO OCCCN1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000449385960 560228171 /nfs/dbraw/zinc/22/81/71/560228171.db2.gz GXAVRIHXZXWNEF-LNRXMEIDSA-N 1 3 357.542 2.333 20 0 FEADHO CCC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)N(C)C ZINC000453039551 560382087 /nfs/dbraw/zinc/38/20/87/560382087.db2.gz ZRKPFCSEPUVYGT-FQEVSTJZSA-N 1 3 374.529 2.456 20 0 FEADHO C[C@@H](NC1CC(C)(F)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000453238986 560384551 /nfs/dbraw/zinc/38/45/51/560384551.db2.gz PFEOMSGZEYMXPX-MXWWQKGMSA-N 1 3 371.522 2.458 20 0 FEADHO CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453707443 560398419 /nfs/dbraw/zinc/39/84/19/560398419.db2.gz BUZIQZOCEZEGIP-IBGZPJMESA-N 1 3 374.529 2.220 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000455664321 560491131 /nfs/dbraw/zinc/49/11/31/560491131.db2.gz ZTOPEDPSHVQOCL-UHFFFAOYSA-N 1 3 362.522 2.221 20 0 FEADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455843270 560497144 /nfs/dbraw/zinc/49/71/44/560497144.db2.gz GDXCFHYEDFAASF-NIKGAXFTSA-N 1 3 360.502 2.154 20 0 FEADHO CCN1CCN(CC(C)(C)NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000456901757 560536554 /nfs/dbraw/zinc/53/65/54/560536554.db2.gz PHGYAEDOJWDXAD-UHFFFAOYSA-N 1 3 372.557 2.428 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000457830492 560589585 /nfs/dbraw/zinc/58/95/85/560589585.db2.gz FSWMWWRBLYUJSY-IAGOWNOFSA-N 1 3 350.532 2.448 20 0 FEADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000457830492 560589586 /nfs/dbraw/zinc/58/95/86/560589586.db2.gz FSWMWWRBLYUJSY-IAGOWNOFSA-N 1 3 350.532 2.448 20 0 FEADHO CC(C)[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCO1 ZINC000458133231 560604724 /nfs/dbraw/zinc/60/47/24/560604724.db2.gz RJKNMCPOKYQSKH-LJQANCHMSA-N 1 3 366.550 2.002 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000458363647 560617257 /nfs/dbraw/zinc/61/72/57/560617257.db2.gz SBAVXTWPBCCTOF-FQEVSTJZSA-N 1 3 366.550 2.003 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000458363647 560617258 /nfs/dbraw/zinc/61/72/58/560617258.db2.gz SBAVXTWPBCCTOF-FQEVSTJZSA-N 1 3 366.550 2.003 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)NC[C@H](C)[NH+](C)C)N(C)C)cc1 ZINC000458763621 560646967 /nfs/dbraw/zinc/64/69/67/560646967.db2.gz QUMDCBBEJUCQBW-YJBOKZPZSA-N 1 3 350.507 2.326 20 0 FEADHO CCc1noc(C)c1CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000458820066 560649983 /nfs/dbraw/zinc/64/99/83/560649983.db2.gz RLOKNWJLVMOZFG-MRXNPFEDSA-N 1 3 365.522 2.103 20 0 FEADHO CCc1noc(C)c1CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000458820066 560649984 /nfs/dbraw/zinc/64/99/84/560649984.db2.gz RLOKNWJLVMOZFG-MRXNPFEDSA-N 1 3 365.522 2.103 20 0 FEADHO CN(C)C[C@@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000459283022 560677516 /nfs/dbraw/zinc/67/75/16/560677516.db2.gz DDLJICMUWDSHFA-MAUKXSAKSA-N 1 3 350.482 2.460 20 0 FEADHO CN(C)C[C@@H](NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000459283022 560677517 /nfs/dbraw/zinc/67/75/17/560677517.db2.gz DDLJICMUWDSHFA-MAUKXSAKSA-N 1 3 350.482 2.460 20 0 FEADHO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000459779063 560707732 /nfs/dbraw/zinc/70/77/32/560707732.db2.gz PIFQIRXUUFXKOS-UXHICEINSA-N 1 3 359.514 2.186 20 0 FEADHO CSC1(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)CCN(C)CC1 ZINC000460248943 560739264 /nfs/dbraw/zinc/73/92/64/560739264.db2.gz ZITNRSKUPPXYPW-INIZCTEOSA-N 1 3 356.580 2.233 20 0 FEADHO CSC1(CNC(=O)N[C@@H](C)C[NH+]2CCCCCC2)CCN(C)CC1 ZINC000460858075 560753699 /nfs/dbraw/zinc/75/36/99/560753699.db2.gz RZMSSZWRSRLFQH-INIZCTEOSA-N 1 3 356.580 2.378 20 0 FEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000461790072 560783754 /nfs/dbraw/zinc/78/37/54/560783754.db2.gz GUVHMHXTWZKNHJ-INIZCTEOSA-N 1 3 363.506 2.042 20 0 FEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000461790072 560783755 /nfs/dbraw/zinc/78/37/55/560783755.db2.gz GUVHMHXTWZKNHJ-INIZCTEOSA-N 1 3 363.506 2.042 20 0 FEADHO CCCN(CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000464883095 560854510 /nfs/dbraw/zinc/85/45/10/560854510.db2.gz MXZJMGLFCNCSFO-QRQLOZEOSA-N 1 3 351.535 2.112 20 0 FEADHO CN(C)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000465433885 560865307 /nfs/dbraw/zinc/86/53/07/560865307.db2.gz OIOFPBPNCMSHMT-NXEWRWPSSA-N 1 3 358.530 2.474 20 0 FEADHO CN(C)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000465433885 560865309 /nfs/dbraw/zinc/86/53/09/560865309.db2.gz OIOFPBPNCMSHMT-NXEWRWPSSA-N 1 3 358.530 2.474 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)C[C@H]1CCCO1)[N@@H+]1CCCC[C@H]1C ZINC000465527638 560867304 /nfs/dbraw/zinc/86/73/04/560867304.db2.gz QUXRVVGRQBYFLP-KZNAEPCWSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@H](CNC(=O)N(CCN(C)C)C[C@H]1CCCO1)[N@H+]1CCCC[C@H]1C ZINC000465527638 560867305 /nfs/dbraw/zinc/86/73/05/560867305.db2.gz QUXRVVGRQBYFLP-KZNAEPCWSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H]1CCC[N@H+](CCNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000465547060 560867890 /nfs/dbraw/zinc/86/78/90/560867890.db2.gz SYDVYFGZPHRYPQ-QGZVFWFLSA-N 1 3 358.530 2.117 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000465547060 560867891 /nfs/dbraw/zinc/86/78/91/560867891.db2.gz SYDVYFGZPHRYPQ-QGZVFWFLSA-N 1 3 358.530 2.117 20 0 FEADHO CN(C)C1(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000465620657 560869945 /nfs/dbraw/zinc/86/99/45/560869945.db2.gz CVTPIRQRPXARBQ-OALUTQOASA-N 1 3 356.514 2.012 20 0 FEADHO CN(C)C1(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000465620657 560869946 /nfs/dbraw/zinc/86/99/46/560869946.db2.gz CVTPIRQRPXARBQ-OALUTQOASA-N 1 3 356.514 2.012 20 0 FEADHO COCCC[N@H+](C)CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000465749664 560872152 /nfs/dbraw/zinc/87/21/52/560872152.db2.gz IXAJDDSOGZPFHL-HKUYNNGSSA-N 1 3 362.518 2.089 20 0 FEADHO COCCC[N@@H+](C)CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000465749664 560872153 /nfs/dbraw/zinc/87/21/53/560872153.db2.gz IXAJDDSOGZPFHL-HKUYNNGSSA-N 1 3 362.518 2.089 20 0 FEADHO CC(C)CN(CCN(C)C)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000466005989 560877814 /nfs/dbraw/zinc/87/78/14/560877814.db2.gz NMAPFLVCDGGBNX-UHFFFAOYSA-N 1 3 360.546 2.315 20 0 FEADHO CN1CCC[C@H](CNC(=O)NCCNc2cc[nH+]cc2)[C@@H]1c1cccs1 ZINC000466076565 560879655 /nfs/dbraw/zinc/87/96/55/560879655.db2.gz JUEJYJMWAKXZGI-CRAIPNDOSA-N 1 3 373.526 2.359 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CC(C)(C)OC ZINC000466093381 560880059 /nfs/dbraw/zinc/88/00/59/560880059.db2.gz NEISGHWQEYPHGM-IRXDYDNUSA-N 1 3 356.555 2.248 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CC(C)(C)OC ZINC000466093381 560880060 /nfs/dbraw/zinc/88/00/60/560880060.db2.gz NEISGHWQEYPHGM-IRXDYDNUSA-N 1 3 356.555 2.248 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC[C@H]1OC ZINC000466188093 560881239 /nfs/dbraw/zinc/88/12/39/560881239.db2.gz RVYOAZXAPSFGAS-FGTMMUONSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC[C@H]1OC ZINC000466188093 560881240 /nfs/dbraw/zinc/88/12/40/560881240.db2.gz RVYOAZXAPSFGAS-FGTMMUONSA-N 1 3 354.539 2.002 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCc3ccccc3C2=O)[C@H](C)C1 ZINC000467401001 560909442 /nfs/dbraw/zinc/90/94/42/560909442.db2.gz NFMGAILHRCEDJZ-NQIIRXRSSA-N 1 3 373.541 2.412 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCc3ccccc3C2=O)[C@H](C)C1 ZINC000467401001 560909443 /nfs/dbraw/zinc/90/94/43/560909443.db2.gz NFMGAILHRCEDJZ-NQIIRXRSSA-N 1 3 373.541 2.412 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)C[NH+]3CCCCC3)CC2)c1 ZINC000468443327 560930071 /nfs/dbraw/zinc/93/00/71/560930071.db2.gz FRPCLIXTXPTMSZ-FQEVSTJZSA-N 1 3 372.557 2.498 20 0 FEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000469326264 560952580 /nfs/dbraw/zinc/95/25/80/560952580.db2.gz GSKOBENZKAHOOF-QZTJIDSGSA-N 1 3 351.535 2.401 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000469696971 560961827 /nfs/dbraw/zinc/96/18/27/560961827.db2.gz BQJSLTAUGJXFFU-OALUTQOASA-N 1 3 358.530 2.106 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000469696971 560961828 /nfs/dbraw/zinc/96/18/28/560961828.db2.gz BQJSLTAUGJXFFU-OALUTQOASA-N 1 3 358.530 2.106 20 0 FEADHO C[C@@H](C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)N1CCCCCC1 ZINC000469923899 560969095 /nfs/dbraw/zinc/96/90/95/560969095.db2.gz NZYOSTFZGCFTQQ-OALUTQOASA-N 1 3 351.535 2.354 20 0 FEADHO CCCCOc1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1OC ZINC000470012606 560972188 /nfs/dbraw/zinc/97/21/88/560972188.db2.gz RGMQDRWJZFBWCM-KRWDZBQOSA-N 1 3 363.502 2.161 20 0 FEADHO COc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OCC(C)C ZINC000470024392 560972464 /nfs/dbraw/zinc/97/24/64/560972464.db2.gz LESZWUFIHZBLMD-KRWDZBQOSA-N 1 3 363.502 2.017 20 0 FEADHO COc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OCC(C)C ZINC000470024393 560972557 /nfs/dbraw/zinc/97/25/57/560972557.db2.gz LESZWUFIHZBLMD-QGZVFWFLSA-N 1 3 363.502 2.017 20 0 FEADHO Cc1c([C@@H](C)N[C@@H](C)CC[NH+]2CCN(C)CC2)nnn1-c1ccccc1 ZINC000471585945 561007949 /nfs/dbraw/zinc/00/79/49/561007949.db2.gz BDXLZYYAHLQJSD-DLBZAZTESA-N 1 3 356.518 2.252 20 0 FEADHO CN1CCC[C@H](CNC(=O)NCCOCC[NH+](C)C)[C@H]1c1cccs1 ZINC000471634855 561009224 /nfs/dbraw/zinc/00/92/24/561009224.db2.gz HLKMVKQBUUFDJX-WBVHZDCISA-N 1 3 368.547 2.008 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000473039593 561040922 /nfs/dbraw/zinc/04/09/22/561040922.db2.gz WUNYRTWXTSSWMF-GUDVDZBRSA-N 1 3 368.566 2.249 20 0 FEADHO CN(C)[C@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000473983782 561062757 /nfs/dbraw/zinc/06/27/57/561062757.db2.gz OQDDSEYFEBOOBF-MHJFOBGBSA-N 1 3 358.530 2.475 20 0 FEADHO CCOC(=O)c1coc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000474622143 561078768 /nfs/dbraw/zinc/07/87/68/561078768.db2.gz UFHHDQFIAWXEPK-UHFFFAOYSA-N 1 3 372.469 2.153 20 0 FEADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239689 562403692 /nfs/dbraw/zinc/40/36/92/562403692.db2.gz HCDGIUPTAANWAK-UWJYYQICSA-N 1 3 371.525 2.050 20 0 FEADHO C[C@H](N[C@@H]1CCSC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000530471831 562412552 /nfs/dbraw/zinc/41/25/52/562412552.db2.gz ZTIZXNGFEIWYMN-GOEBONIOSA-N 1 3 371.572 2.073 20 0 FEADHO Cc1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)n(C2CCN(C)CC2)n1 ZINC000530950631 562429515 /nfs/dbraw/zinc/42/95/15/562429515.db2.gz YIBFUTRNHSKXII-DLBZAZTESA-N 1 3 360.506 2.207 20 0 FEADHO Cc1cc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)n(C2CCN(C)CC2)n1 ZINC000530950631 562429516 /nfs/dbraw/zinc/42/95/16/562429516.db2.gz YIBFUTRNHSKXII-DLBZAZTESA-N 1 3 360.506 2.207 20 0 FEADHO Cc1cc(NC(=O)NC2CCN(C3CC3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000531187724 562437500 /nfs/dbraw/zinc/43/75/00/562437500.db2.gz DTDACJLJFWOTBK-UHFFFAOYSA-N 1 3 360.506 2.207 20 0 FEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000531196394 562437768 /nfs/dbraw/zinc/43/77/68/562437768.db2.gz NEBXAYJTNUYYTO-AQNXPRMDSA-N 1 3 356.514 2.379 20 0 FEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000531196394 562437769 /nfs/dbraw/zinc/43/77/69/562437769.db2.gz NEBXAYJTNUYYTO-AQNXPRMDSA-N 1 3 356.514 2.379 20 0 FEADHO CC(C)(C)[N@@H+]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000531290714 562440917 /nfs/dbraw/zinc/44/09/17/562440917.db2.gz UNGMGCOEPYLNCZ-UHFFFAOYSA-N 1 3 351.535 2.354 20 0 FEADHO CC(C)(C)[N@H+]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000531290714 562440918 /nfs/dbraw/zinc/44/09/18/562440918.db2.gz UNGMGCOEPYLNCZ-UHFFFAOYSA-N 1 3 351.535 2.354 20 0 FEADHO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n(C2CCN(C)CC2)n1 ZINC000531426402 562445610 /nfs/dbraw/zinc/44/56/10/562445610.db2.gz XYNKOXHNESJNBQ-DOTOQJQBSA-N 1 3 362.522 2.405 20 0 FEADHO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n(C2CCN(C)CC2)n1 ZINC000531426402 562445611 /nfs/dbraw/zinc/44/56/11/562445611.db2.gz XYNKOXHNESJNBQ-DOTOQJQBSA-N 1 3 362.522 2.405 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000532991303 562494943 /nfs/dbraw/zinc/49/49/43/562494943.db2.gz MGJFPQSFNWKCFP-IFMALSPDSA-N 1 3 373.541 2.108 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000532991303 562494944 /nfs/dbraw/zinc/49/49/44/562494944.db2.gz MGJFPQSFNWKCFP-IFMALSPDSA-N 1 3 373.541 2.108 20 0 FEADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000533052834 562496976 /nfs/dbraw/zinc/49/69/76/562496976.db2.gz SFERRDMNHPENQV-HLIPFELVSA-N 1 3 362.562 2.067 20 0 FEADHO CC(C)C[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)NCC[NH+](C)C ZINC000540744641 562592478 /nfs/dbraw/zinc/59/24/78/562592478.db2.gz PTYFDYAMUFADFP-LCAJTWGOSA-N 1 3 367.559 2.167 20 0 FEADHO COC(=O)COc1ccccc1[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000602019746 567901573 /nfs/dbraw/zinc/90/15/73/567901573.db2.gz HGVYSYWJHOPUFE-OAHLLOKOSA-N 1 3 370.453 2.216 20 0 FEADHO COC(=O)CCNC(=O)CCN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602727093 568024190 /nfs/dbraw/zinc/02/41/90/568024190.db2.gz ZMFDRHFIYPRGTC-HKUYNNGSSA-N 1 3 373.497 2.014 20 0 FEADHO COC(=O)CCNC(=O)CCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602727093 568024192 /nfs/dbraw/zinc/02/41/92/568024192.db2.gz ZMFDRHFIYPRGTC-HKUYNNGSSA-N 1 3 373.497 2.014 20 0 FEADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000604184215 568222358 /nfs/dbraw/zinc/22/23/58/568222358.db2.gz JIEOXSAZJAYYBD-OALUTQOASA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000604184215 568222359 /nfs/dbraw/zinc/22/23/59/568222359.db2.gz JIEOXSAZJAYYBD-OALUTQOASA-N 1 3 356.514 2.435 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000623071856 568241521 /nfs/dbraw/zinc/24/15/21/568241521.db2.gz ORSLLCUSVBEIHX-MJGOQNOKSA-N 1 3 360.502 2.498 20 0 FEADHO COC(=O)C[C@@H]1CCCCN1C/C=C\C[N@@H+]1CCCC[C@H]1CC(=O)OC ZINC000604304929 568247215 /nfs/dbraw/zinc/24/72/15/568247215.db2.gz MOISGSNOHHVNCM-OPDSQHBBSA-N 1 3 366.502 2.378 20 0 FEADHO COC(=O)C[C@@H]1CCCCN1C/C=C\C[N@H+]1CCCC[C@H]1CC(=O)OC ZINC000604304929 568247216 /nfs/dbraw/zinc/24/72/16/568247216.db2.gz MOISGSNOHHVNCM-OPDSQHBBSA-N 1 3 366.502 2.378 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CCCO1 ZINC000637090526 568353622 /nfs/dbraw/zinc/35/36/22/568353622.db2.gz SKXFYMHPRMIXJZ-HKUYNNGSSA-N 1 3 366.550 2.194 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CCCO1 ZINC000637090526 568353623 /nfs/dbraw/zinc/35/36/23/568353623.db2.gz SKXFYMHPRMIXJZ-HKUYNNGSSA-N 1 3 366.550 2.194 20 0 FEADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000556875885 674425582 /nfs/dbraw/zinc/42/55/82/674425582.db2.gz FEVSJYNTCNTYFY-GOSISDBHSA-N 1 3 367.559 2.145 20 0 FEADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000556875885 674425585 /nfs/dbraw/zinc/42/55/85/674425585.db2.gz FEVSJYNTCNTYFY-GOSISDBHSA-N 1 3 367.559 2.145 20 0 FEADHO CC1(C)CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CCN1 ZINC000556876980 674425721 /nfs/dbraw/zinc/42/57/21/674425721.db2.gz KEMNKZGEGHUYJU-MRXNPFEDSA-N 1 3 351.441 2.354 20 0 FEADHO CC1(C)CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CCN1 ZINC000556876980 674425724 /nfs/dbraw/zinc/42/57/24/674425724.db2.gz KEMNKZGEGHUYJU-MRXNPFEDSA-N 1 3 351.441 2.354 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cnc(C)s3)CC2)CC1 ZINC000557562124 674454188 /nfs/dbraw/zinc/45/41/88/674454188.db2.gz FNCWOAHBRSHOQD-UHFFFAOYSA-N 1 3 350.532 2.264 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000557347388 674446208 /nfs/dbraw/zinc/44/62/08/674446208.db2.gz GVZPLIRHKRSBJE-QZTJIDSGSA-N 1 3 351.516 2.043 20 0 FEADHO CCN1CCN(CCC(=O)N(CC[NH+]2CCCCCC2)C(C)C)CC1 ZINC000557999335 674478692 /nfs/dbraw/zinc/47/86/92/674478692.db2.gz ATXLZIDCOKTTMA-UHFFFAOYSA-N 1 3 352.567 2.127 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000561281093 674653454 /nfs/dbraw/zinc/65/34/54/674653454.db2.gz WYBKODYREFGVHO-NQYYFHDYSA-N 1 3 351.535 2.384 20 0 FEADHO Cn1c2ccc(CN3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)cc2sc1=O ZINC000562751425 674801740 /nfs/dbraw/zinc/80/17/40/674801740.db2.gz WSTMPBOKUNIFDA-DOTOQJQBSA-N 1 3 361.511 2.318 20 0 FEADHO CC[C@H](NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)[C@H]1CCCC[NH2+]1 ZINC000562956766 674827308 /nfs/dbraw/zinc/82/73/08/674827308.db2.gz FPIYZOLXQXLHLY-HRCADAONSA-N 1 3 371.572 2.269 20 0 FEADHO CC[N@@H+]1CC[C@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000063149572 670405318 /nfs/dbraw/zinc/40/53/18/670405318.db2.gz FMQQNFWEJXBHOG-GOSISDBHSA-N 1 3 360.571 2.457 20 0 FEADHO CC[N@H+]1CC[C@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000063149572 670405319 /nfs/dbraw/zinc/40/53/19/670405319.db2.gz FMQQNFWEJXBHOG-GOSISDBHSA-N 1 3 360.571 2.457 20 0 FEADHO [NH3+]C[C@@H]1CC[C@H](N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000571157205 670825450 /nfs/dbraw/zinc/82/54/50/670825450.db2.gz QPBVKBRTCJLTTR-SCDSUCTJSA-N 1 3 373.316 2.385 20 0 FEADHO CC(C)[NH2+]CCCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000571303930 670853234 /nfs/dbraw/zinc/85/32/34/670853234.db2.gz KHOIVLFZHHLBFV-UHFFFAOYSA-N 1 3 356.461 2.426 20 0 FEADHO C[C@H](C[C@H](C)[NH3+])NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817916941 675186324 /nfs/dbraw/zinc/18/63/24/675186324.db2.gz MOAGTJJFVDZYGI-WDEREUQCSA-N 1 3 354.394 2.074 20 0 FEADHO C[C@@H]1CC2(CN1CC(=O)NCCO[C@H]1CCCC[C@H]1C)CC[NH2+]CC2 ZINC000580432932 671807030 /nfs/dbraw/zinc/80/70/30/671807030.db2.gz UEJYJOKZJYQFQF-KURKYZTESA-N 1 3 351.535 2.162 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C[C@@H](C)O1 ZINC000589645903 672537351 /nfs/dbraw/zinc/53/73/51/672537351.db2.gz GUUXDRMNPHAAGR-HZPDHXFCSA-N 1 3 369.531 2.037 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418595626 673192254 /nfs/dbraw/zinc/19/22/54/673192254.db2.gz XACJDWKCQCAITM-HOTGVXAUSA-N 1 3 354.445 2.308 20 0 FEADHO CN(C(=S)NC1CCN(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000731944322 673349076 /nfs/dbraw/zinc/34/90/76/673349076.db2.gz GGXUCTOOUGPPAT-UHFFFAOYSA-N 1 3 350.532 2.032 20 0 FEADHO C[NH+](C)C[C@H]1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000733209066 673403333 /nfs/dbraw/zinc/40/33/33/673403333.db2.gz HIQNGUQSFKHJNK-GOSISDBHSA-N 1 3 360.571 2.409 20 0 FEADHO CS[C@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C[C@@H]1N(C)C ZINC000546838240 673822255 /nfs/dbraw/zinc/82/22/55/673822255.db2.gz WVXLGWFVDCZWAA-IRXDYDNUSA-N 1 3 366.531 2.136 20 0 FEADHO C[N@@H+]1CC[C@H](C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000605555046 675818782 /nfs/dbraw/zinc/81/87/82/675818782.db2.gz VXZJMLIJBXKLSW-HNNXBMFYSA-N 1 3 365.905 2.251 20 0 FEADHO C[N@H+]1CC[C@H](C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000605555046 675818784 /nfs/dbraw/zinc/81/87/84/675818784.db2.gz VXZJMLIJBXKLSW-HNNXBMFYSA-N 1 3 365.905 2.251 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1CSc2ccccc2O1 ZINC000617503662 676288552 /nfs/dbraw/zinc/28/85/52/676288552.db2.gz TVQSHEIYSIELSM-HOTGVXAUSA-N 1 3 365.543 2.318 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1CSc2ccccc2O1 ZINC000617503662 676288554 /nfs/dbraw/zinc/28/85/54/676288554.db2.gz TVQSHEIYSIELSM-HOTGVXAUSA-N 1 3 365.543 2.318 20 0 FEADHO CN1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000621010782 676437635 /nfs/dbraw/zinc/43/76/35/676437635.db2.gz DLMGKFYYLOCJLS-INIZCTEOSA-N 1 3 354.445 2.132 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCCc3cccc(C[NH3+])c32)cc1 ZINC000624389808 676576968 /nfs/dbraw/zinc/57/69/68/676576968.db2.gz LJDHHIWDDYHELW-UHFFFAOYSA-N 1 3 359.495 2.348 20 0 FEADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000624613895 676587504 /nfs/dbraw/zinc/58/75/04/676587504.db2.gz FJZKCZJHKXWITD-KRWDZBQOSA-N 1 3 368.591 2.379 20 0 FEADHO C[N@H+]1CCCC[C@@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000624613895 676587505 /nfs/dbraw/zinc/58/75/05/676587505.db2.gz FJZKCZJHKXWITD-KRWDZBQOSA-N 1 3 368.591 2.379 20 0 FEADHO C[C@H]1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C[NH2+]1 ZINC000627196897 676743434 /nfs/dbraw/zinc/74/34/34/676743434.db2.gz WJJDVSVRBKDDOR-ZFWWWQNUSA-N 1 3 354.445 2.179 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2csnn2)cc1 ZINC000628051976 676787167 /nfs/dbraw/zinc/78/71/67/676787167.db2.gz UUZPZDYEXATQFR-AWEZNQCLSA-N 1 3 361.515 2.207 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2csnn2)cc1 ZINC000628051976 676787169 /nfs/dbraw/zinc/78/71/69/676787169.db2.gz UUZPZDYEXATQFR-AWEZNQCLSA-N 1 3 361.515 2.207 20 0 FEADHO CN(C)C[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000638662970 677148634 /nfs/dbraw/zinc/14/86/34/677148634.db2.gz CNGXNPWFLJAVHV-CJNGLKHVSA-N 1 3 374.312 2.481 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000638728237 677149382 /nfs/dbraw/zinc/14/93/82/677149382.db2.gz LIEYVHFARUPYPP-ZWKOTPCHSA-N 1 3 351.535 2.116 20 0 FEADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000638770273 677149895 /nfs/dbraw/zinc/14/98/95/677149895.db2.gz LSMWJESMXIVYOZ-YSVLISHTSA-N 1 3 355.404 2.308 20 0 FEADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2[nH]c(=O)oc2c1 ZINC000643530610 677227441 /nfs/dbraw/zinc/22/74/41/677227441.db2.gz YVQZCYUUXMPAAP-IINYFYTJSA-N 1 3 358.364 2.020 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccc(S(N)(=O)=O)cc1F ZINC000647171158 677296800 /nfs/dbraw/zinc/29/68/00/677296800.db2.gz BHXPMYDHBOYCME-AWEZNQCLSA-N 1 3 357.495 2.217 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccc(S(N)(=O)=O)cc1F ZINC000647171158 677296801 /nfs/dbraw/zinc/29/68/01/677296801.db2.gz BHXPMYDHBOYCME-AWEZNQCLSA-N 1 3 357.495 2.217 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647171750 677296812 /nfs/dbraw/zinc/29/68/12/677296812.db2.gz VAVZIQTXJHIOKV-HUUCEWRRSA-N 1 3 371.522 2.321 20 0 FEADHO CN(C(=O)[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000649300673 677329055 /nfs/dbraw/zinc/32/90/55/677329055.db2.gz IAZJOEUBHJPAJI-IAGOWNOFSA-N 1 3 351.441 2.354 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(C3)CC(F)(F)C4)CC2)CC1 ZINC000654932376 677612866 /nfs/dbraw/zinc/61/28/66/677612866.db2.gz QJODYVFZZSPBNH-UHFFFAOYSA-N 1 3 355.473 2.440 20 0 FEADHO FC(F)(F)Cn1ccnc1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657534763 678007928 /nfs/dbraw/zinc/00/79/28/678007928.db2.gz CXYQJTDLTQDXCL-UHFFFAOYSA-N 1 3 360.424 2.426 20 0 FEADHO C[NH2+]C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000659647883 678195175 /nfs/dbraw/zinc/19/51/75/678195175.db2.gz YMBKCNKFCOFNCG-CYBMUJFWSA-N 1 3 360.424 2.387 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000660180786 678304963 /nfs/dbraw/zinc/30/49/63/678304963.db2.gz WAWANQFDWNPIDP-SFHVURJKSA-N 1 3 365.543 2.149 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000660180786 678304966 /nfs/dbraw/zinc/30/49/66/678304966.db2.gz WAWANQFDWNPIDP-SFHVURJKSA-N 1 3 365.543 2.149 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cccc(N)c3Cl)CC2)CC1 ZINC000662428007 678618996 /nfs/dbraw/zinc/61/89/96/678618996.db2.gz VRQVVTFTQICKDJ-UHFFFAOYSA-N 1 3 364.921 2.140 20 0 FEADHO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cc2c(s1)CCNC2 ZINC000662613029 678643437 /nfs/dbraw/zinc/64/34/37/678643437.db2.gz AFLJNZGPGTYZBV-UHFFFAOYSA-N 1 3 363.527 2.015 20 0 FEADHO COc1cccc([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000663757762 678784796 /nfs/dbraw/zinc/78/47/96/678784796.db2.gz VOVVZXOSLRCLTR-HOTGVXAUSA-N 1 3 350.507 2.327 20 0 FEADHO COc1cccc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000663757762 678784803 /nfs/dbraw/zinc/78/48/03/678784803.db2.gz VOVVZXOSLRCLTR-HOTGVXAUSA-N 1 3 350.507 2.327 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CSc2ccccc21 ZINC000664166925 678838265 /nfs/dbraw/zinc/83/82/65/678838265.db2.gz WETVGBCSNQMTCI-GOEBONIOSA-N 1 3 350.532 2.405 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CSc2ccccc21 ZINC000664166925 678838270 /nfs/dbraw/zinc/83/82/70/678838270.db2.gz WETVGBCSNQMTCI-GOEBONIOSA-N 1 3 350.532 2.405 20 0 FEADHO CC(C)[C@H]1C[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000665026555 678938267 /nfs/dbraw/zinc/93/82/67/678938267.db2.gz HWWDPWRAQNNOIQ-OKZBNKHCSA-N 1 3 356.555 2.009 20 0 FEADHO CC(C)[C@H]1C[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000665026555 678938269 /nfs/dbraw/zinc/93/82/69/678938269.db2.gz HWWDPWRAQNNOIQ-OKZBNKHCSA-N 1 3 356.555 2.009 20 0 FEADHO CC(C)Oc1ncccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665618838 678973421 /nfs/dbraw/zinc/97/34/21/678973421.db2.gz DESZHHPKRVTTHM-HNNXBMFYSA-N 1 3 351.495 2.262 20 0 FEADHO CC(C)Oc1ncccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665618838 678973423 /nfs/dbraw/zinc/97/34/23/678973423.db2.gz DESZHHPKRVTTHM-HNNXBMFYSA-N 1 3 351.495 2.262 20 0 FEADHO Cc1nc(C2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)sc1C ZINC000667046496 679062079 /nfs/dbraw/zinc/06/20/79/679062079.db2.gz PCDLNPSXUSIBTG-HNNXBMFYSA-N 1 3 350.532 2.137 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)N(C)C)cc1 ZINC000669592663 679244357 /nfs/dbraw/zinc/24/43/57/679244357.db2.gz CSHORJMIIJSHST-JLSDUUJJSA-N 1 3 362.543 2.405 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)NCC2CC[NH+](C3CC3)CC2)cc(Cl)n1 ZINC000832173619 680105703 /nfs/dbraw/zinc/10/57/03/680105703.db2.gz SJUVUFTYHDIBEX-INIZCTEOSA-N 1 3 350.894 2.424 20 0 FEADHO Cc1nsc(C)c1CN1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028551078 680376037 /nfs/dbraw/zinc/37/60/37/680376037.db2.gz ZGDIUCZRBPQWGL-VNQPRFMTSA-N 1 3 350.532 2.038 20 0 FEADHO Cc1nsc(C)c1CN1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028551078 680376043 /nfs/dbraw/zinc/37/60/43/680376043.db2.gz ZGDIUCZRBPQWGL-VNQPRFMTSA-N 1 3 350.532 2.038 20 0 FEADHO Cc1ncsc1CCN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214990 680430929 /nfs/dbraw/zinc/43/09/29/680430929.db2.gz TXOTVJLSMGRXEZ-BRWVUGGUSA-N 1 3 364.559 2.305 20 0 FEADHO Cc1ncsc1CCN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034214990 680430933 /nfs/dbraw/zinc/43/09/33/680430933.db2.gz TXOTVJLSMGRXEZ-BRWVUGGUSA-N 1 3 364.559 2.305 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC001045043197 680619952 /nfs/dbraw/zinc/61/99/52/680619952.db2.gz CPHOPAKKXRHULR-VNQPRFMTSA-N 1 3 351.441 2.386 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2ccc(F)c(F)c2)CC[N@H+]1C ZINC001045043197 680619955 /nfs/dbraw/zinc/61/99/55/680619955.db2.gz CPHOPAKKXRHULR-VNQPRFMTSA-N 1 3 351.441 2.386 20 0 FEADHO COc1ccccc1[C@H](N)CNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841846702 680914671 /nfs/dbraw/zinc/91/46/71/680914671.db2.gz SPONOHQKFBLPHG-HUUCEWRRSA-N 1 3 362.861 2.258 20 0 FEADHO CC(C)CC[NH+]1CCC(CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC000914231183 685499997 /nfs/dbraw/zinc/49/99/97/685499997.db2.gz BCGYAYLZGXTXHR-IBGZPJMESA-N 1 3 371.591 2.150 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3cc(F)ccc3F)C2)CC[N@@H+]1C ZINC000961849432 682102310 /nfs/dbraw/zinc/10/23/10/682102310.db2.gz LIMPZACRBOCPLA-PSPNYPNSSA-N 1 3 351.441 2.289 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC2CC(CNCc3cc(F)ccc3F)C2)CC[N@H+]1C ZINC000961849432 682102312 /nfs/dbraw/zinc/10/23/12/682102312.db2.gz LIMPZACRBOCPLA-PSPNYPNSSA-N 1 3 351.441 2.289 20 0 FEADHO CCCN1CCC([N@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000851797600 682139043 /nfs/dbraw/zinc/13/90/43/682139043.db2.gz SDGQAJFNYSTHPG-QGZVFWFLSA-N 1 3 355.523 2.429 20 0 FEADHO CCCN1CCC([N@@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000851797600 682139045 /nfs/dbraw/zinc/13/90/45/682139045.db2.gz SDGQAJFNYSTHPG-QGZVFWFLSA-N 1 3 355.523 2.429 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3SCCS3)CC2)CC1 ZINC000856160899 682748812 /nfs/dbraw/zinc/74/88/12/682748812.db2.gz OXAPVLWQVLOUPY-UHFFFAOYSA-N 1 3 357.589 2.105 20 0 FEADHO C[C@H](CS(=O)(=O)c1ccccc1)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925886946 683047923 /nfs/dbraw/zinc/04/79/23/683047923.db2.gz OANIISALSGECDL-POAQFYNOSA-N 1 3 358.507 2.498 20 0 FEADHO [NH3+]CC[C@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000925999160 683062151 /nfs/dbraw/zinc/06/21/51/683062151.db2.gz YWDKVLFAKNDVHN-KRWDZBQOSA-N 1 3 362.543 2.481 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H]3CSC[C@H]3C)cc2)CC1 ZINC000796396461 683159437 /nfs/dbraw/zinc/15/94/37/683159437.db2.gz RJMRDEQHENRICA-QAPCUYQASA-N 1 3 362.543 2.108 20 0 FEADHO C[NH+]1CCC(NC(=S)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000920307260 683332297 /nfs/dbraw/zinc/33/22/97/683332297.db2.gz DHPCXPSEOLQVLN-HNNXBMFYSA-N 1 3 352.573 2.443 20 0 FEADHO CCN(CC)[C@H](CNC(=O)COC1CC[NH+](C)CC1)c1ccsc1 ZINC000930219282 683695146 /nfs/dbraw/zinc/69/51/46/683695146.db2.gz WTPKAVNOAPCNJW-QGZVFWFLSA-N 1 3 353.532 2.358 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866813927 684158739 /nfs/dbraw/zinc/15/87/39/684158739.db2.gz GPSXICKZCOSZGQ-SFHVURJKSA-N 1 3 353.532 2.134 20 0 FEADHO CN(C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000923305896 684259549 /nfs/dbraw/zinc/25/95/49/684259549.db2.gz LEGGGDXFHLBMFM-IUIKQTSFSA-N 1 3 357.281 2.262 20 0 FEADHO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)COc3ccc(Br)cc3)C[C@@H]2C1 ZINC000931426337 684281664 /nfs/dbraw/zinc/28/16/64/684281664.db2.gz MPVLDNSJNIBLPI-YCPHGPKFSA-N 1 3 369.303 2.072 20 0 FEADHO C[N@H+]1CC[C@@H]2CN(C[C@H](O)COc3ccc(Br)cc3)C[C@@H]2C1 ZINC000931426337 684281667 /nfs/dbraw/zinc/28/16/67/684281667.db2.gz MPVLDNSJNIBLPI-YCPHGPKFSA-N 1 3 369.303 2.072 20 0 FEADHO C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452898 684283447 /nfs/dbraw/zinc/28/34/47/684283447.db2.gz JKWWRRFLGZZTIB-GOEBONIOSA-N 1 3 365.905 2.175 20 0 FEADHO O=C(NCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1c(F)cccc1F ZINC000925598152 684572448 /nfs/dbraw/zinc/57/24/48/684572448.db2.gz UMCYCOAJPTVUQX-PBHICJAKSA-N 1 3 351.441 2.453 20 0 FEADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)c2)nn1 ZINC000873218676 685098447 /nfs/dbraw/zinc/09/84/47/685098447.db2.gz NXFSIGKKUDCJJI-IKGGRYGDSA-N 1 3 361.540 2.195 20 0 FEADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)c2)nn1 ZINC000873218675 685098569 /nfs/dbraw/zinc/09/85/69/685098569.db2.gz NXFSIGKKUDCJJI-BRWVUGGUSA-N 1 3 361.540 2.195 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)CC2(O)CCCCC2)[C@H](C)C1 ZINC000878446725 686586783 /nfs/dbraw/zinc/58/67/83/686586783.db2.gz IBFWJMJKOUPPLT-QYZOEREBSA-N 1 3 356.551 2.159 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)CC2(O)CCCCC2)[C@H](C)C1 ZINC000878446725 686586787 /nfs/dbraw/zinc/58/67/87/686586787.db2.gz IBFWJMJKOUPPLT-QYZOEREBSA-N 1 3 356.551 2.159 20 0 FEADHO CN(C)CCn1nccc1NC(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC000886957428 688346994 /nfs/dbraw/zinc/34/69/94/688346994.db2.gz UDHWFNIJCITXIF-UHFFFAOYSA-N 1 3 364.881 2.091 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)N(C)C)cc1 ZINC000895057278 689650125 /nfs/dbraw/zinc/65/01/25/689650125.db2.gz GASHIURTAMKSHS-BPQIPLTHSA-N 1 3 362.543 2.357 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)N(C)C)cc1 ZINC000895057278 689650129 /nfs/dbraw/zinc/65/01/29/689650129.db2.gz GASHIURTAMKSHS-BPQIPLTHSA-N 1 3 362.543 2.357 20 0 FEADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000903842722 690978109 /nfs/dbraw/zinc/97/81/09/690978109.db2.gz SPYDEOYEXCZCBP-MZGVZZPPSA-N 1 3 364.287 2.366 20 0 FEADHO CC(C)(C)CC(=O)N1CCC(N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903973574 690990885 /nfs/dbraw/zinc/99/08/85/690990885.db2.gz PIBYZCLOVHFVMU-KRWDZBQOSA-N 1 3 351.535 2.162 20 0 FEADHO CCc1nn(C)c(Cl)c1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980289 690991663 /nfs/dbraw/zinc/99/16/63/690991663.db2.gz NMEMVPNCEKPCOY-GASCZTMLSA-N 1 3 351.926 2.037 20 0 FEADHO CN(C)[S@](C)(=O)=NCC1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000904475797 691030360 /nfs/dbraw/zinc/03/03/60/691030360.db2.gz MFYBCWNJETXMFN-XMMPIXPASA-N 1 3 370.588 2.180 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(Br)CC3)CC2)CC1 ZINC000910218163 691902058 /nfs/dbraw/zinc/90/20/58/691902058.db2.gz QYNZCXXZLUCZDW-UHFFFAOYSA-N 1 3 372.351 2.226 20 0 FEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000073867168 542009052 /nfs/dbraw/zinc/00/90/52/542009052.db2.gz BWHHDBWGSPKOQD-HCXYKTFWSA-N 1 3 368.566 2.105 20 0 FEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000073867168 542009054 /nfs/dbraw/zinc/00/90/54/542009054.db2.gz BWHHDBWGSPKOQD-HCXYKTFWSA-N 1 3 368.566 2.105 20 0 FEADHO CCN(CC)[C@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC000074138132 542042313 /nfs/dbraw/zinc/04/23/13/542042313.db2.gz WDBUBTLCARBDNQ-NRFANRHFSA-N 1 3 374.573 2.459 20 0 FEADHO CCN(CC)[C@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000074138132 542042317 /nfs/dbraw/zinc/04/23/17/542042317.db2.gz WDBUBTLCARBDNQ-NRFANRHFSA-N 1 3 374.573 2.459 20 0 FEADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000081726857 542673647 /nfs/dbraw/zinc/67/36/47/542673647.db2.gz SCDDEUZHGDJHGC-VQTJNVASSA-N 1 3 371.525 2.134 20 0 FEADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081726857 542673651 /nfs/dbraw/zinc/67/36/51/542673651.db2.gz SCDDEUZHGDJHGC-VQTJNVASSA-N 1 3 371.525 2.134 20 0 FEADHO CC[NH+]1CCC(CCNC(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000088595045 542753640 /nfs/dbraw/zinc/75/36/40/542753640.db2.gz IAKKZIRRNRSGNN-UHFFFAOYSA-N 1 3 350.507 2.475 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCOC([O-])=NC(N)=O)CC1 ZINC000093190371 542915825 /nfs/dbraw/zinc/91/58/25/542915825.db2.gz DBYJMFGSLJCTND-HNNXBMFYSA-N 1 3 354.495 2.158 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCOC([O-])=NC(N)=O)CC1 ZINC000093190371 542915829 /nfs/dbraw/zinc/91/58/29/542915829.db2.gz DBYJMFGSLJCTND-HNNXBMFYSA-N 1 3 354.495 2.158 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCOC(=O)N=C(N)[O-])CC1 ZINC000093190371 542915833 /nfs/dbraw/zinc/91/58/33/542915833.db2.gz DBYJMFGSLJCTND-HNNXBMFYSA-N 1 3 354.495 2.158 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCOC(=O)N=C(N)[O-])CC1 ZINC000093190371 542915837 /nfs/dbraw/zinc/91/58/37/542915837.db2.gz DBYJMFGSLJCTND-HNNXBMFYSA-N 1 3 354.495 2.158 20 0 FEADHO C[NH+](C)CCCOc1ccc(CNC(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000108573904 543295248 /nfs/dbraw/zinc/29/52/48/543295248.db2.gz YLFCMOHSOKTSIK-LJQANCHMSA-N 1 3 374.529 2.301 20 0 FEADHO C[C@@H]1CCC[N@H+](CCNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000109949615 543344178 /nfs/dbraw/zinc/34/41/78/543344178.db2.gz WZYYJDAFEMXVHQ-HXUWFJFHSA-N 1 3 372.557 2.437 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000109949615 543344182 /nfs/dbraw/zinc/34/41/82/543344182.db2.gz WZYYJDAFEMXVHQ-HXUWFJFHSA-N 1 3 372.557 2.437 20 0 FEADHO O=C(CCCN1CCN(c2ccccc2)CC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000111617880 543409148 /nfs/dbraw/zinc/40/91/48/543409148.db2.gz UUHVWMKEYPGXHS-FQEVSTJZSA-N 1 3 370.541 2.189 20 0 FEADHO O=C(CCCN1CCN(c2ccccc2)CC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000111617880 543409151 /nfs/dbraw/zinc/40/91/51/543409151.db2.gz UUHVWMKEYPGXHS-FQEVSTJZSA-N 1 3 370.541 2.189 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000111821194 543417830 /nfs/dbraw/zinc/41/78/30/543417830.db2.gz LRNMYPYVUJGIBZ-ROUUACIJSA-N 1 3 354.539 2.051 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000111821194 543417833 /nfs/dbraw/zinc/41/78/33/543417833.db2.gz LRNMYPYVUJGIBZ-ROUUACIJSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@@H]1CCC[C@H](OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000112632636 543454779 /nfs/dbraw/zinc/45/47/79/543454779.db2.gz WEKWTFXDIHTVKP-APWZRJJASA-N 1 3 351.535 2.257 20 0 FEADHO CC(C)c1cc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)on1 ZINC000114526474 543522417 /nfs/dbraw/zinc/52/24/17/543522417.db2.gz SVQWTTWOMOZLEH-UHFFFAOYSA-N 1 3 363.506 2.156 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114823486 543538297 /nfs/dbraw/zinc/53/82/97/543538297.db2.gz YSBIRBQNWLHRTO-ICSRJNTNSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114823486 543538300 /nfs/dbraw/zinc/53/83/00/543538300.db2.gz YSBIRBQNWLHRTO-ICSRJNTNSA-N 1 3 356.514 2.435 20 0 FEADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000124170519 543804310 /nfs/dbraw/zinc/80/43/10/543804310.db2.gz GAOOINMQWGDQIL-LEWJYISDSA-N 1 3 372.557 2.356 20 0 FEADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000124170519 543804314 /nfs/dbraw/zinc/80/43/14/543804314.db2.gz GAOOINMQWGDQIL-LEWJYISDSA-N 1 3 372.557 2.356 20 0 FEADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000128272811 544042489 /nfs/dbraw/zinc/04/24/89/544042489.db2.gz YHVQPYZENUFQAU-KRWDZBQOSA-N 1 3 360.502 2.321 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000128476495 544054830 /nfs/dbraw/zinc/05/48/30/544054830.db2.gz HLVKFCVNODDHKK-XLIONFOSSA-N 1 3 358.530 2.490 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)CSCc3cscn3)CC2)CC1 ZINC000128502117 544056313 /nfs/dbraw/zinc/05/63/13/544056313.db2.gz ROMABCHZMYKJKZ-UHFFFAOYSA-N 1 3 368.572 2.051 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000128554467 544059075 /nfs/dbraw/zinc/05/90/75/544059075.db2.gz OHGIMIGQPVIKCE-GGPKGHCWSA-N 1 3 358.530 2.044 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000128554467 544059077 /nfs/dbraw/zinc/05/90/77/544059077.db2.gz OHGIMIGQPVIKCE-GGPKGHCWSA-N 1 3 358.530 2.044 20 0 FEADHO CN(C)C[C@@](C)(O)C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000131443740 544190813 /nfs/dbraw/zinc/19/08/13/544190813.db2.gz YLCXGTFASLYUKZ-INIZCTEOSA-N 1 3 355.276 2.127 20 0 FEADHO COCCOc1cc2c(cc1CN(C)CC1CC[NH+](C)CC1)OCO2 ZINC000132218550 544223560 /nfs/dbraw/zinc/22/35/60/544223560.db2.gz BDIJAYOITYENLT-UHFFFAOYSA-N 1 3 350.459 2.214 20 0 FEADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)nn1-c1ccc(C)cc1 ZINC000133410398 544268786 /nfs/dbraw/zinc/26/87/86/544268786.db2.gz VPUBMOADJGNLIQ-UHFFFAOYSA-N 1 3 372.517 2.446 20 0 FEADHO CC[C@@]1(C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)CCC[NH2+]1 ZINC000134616845 544315513 /nfs/dbraw/zinc/31/55/13/544315513.db2.gz WLVHBVACLKUFNU-QKLQHJQFSA-N 1 3 351.535 2.257 20 0 FEADHO [NH3+][C@@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1CC1 ZINC000137596368 544391524 /nfs/dbraw/zinc/39/15/24/544391524.db2.gz MJBSXLDVXOALGY-DOTOQJQBSA-N 1 3 355.404 2.295 20 0 FEADHO C[C@H](Cn1cccn1)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000138121743 544394072 /nfs/dbraw/zinc/39/40/72/544394072.db2.gz CXYMJDQJEMOHIO-HXUWFJFHSA-N 1 3 355.530 2.459 20 0 FEADHO Cc1c([C@H](C)NC2CCN(CC[NH+](C)C)CC2)nnn1-c1ccc(F)cc1 ZINC000150979597 544492905 /nfs/dbraw/zinc/49/29/05/544492905.db2.gz MFERQASCHKVQNC-HNNXBMFYSA-N 1 3 374.508 2.391 20 0 FEADHO CN(c1ccccc1CNCCn1cnnc1C1CC1)C1CC[NH+](C)CC1 ZINC000150944585 544489495 /nfs/dbraw/zinc/48/94/95/544489495.db2.gz IKVJQNFTNAXUIN-UHFFFAOYSA-N 1 3 368.529 2.476 20 0 FEADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000151362782 544533231 /nfs/dbraw/zinc/53/32/31/544533231.db2.gz VIYAOJVNSBRLAY-KRWDZBQOSA-N 1 3 372.513 2.497 20 0 FEADHO C[N@H+](CCCNC(=O)[C@H]1CCCN1C1CCOCC1)Cc1ccccc1 ZINC000153675090 544806397 /nfs/dbraw/zinc/80/63/97/544806397.db2.gz WMMFQFOOXMFKIM-HXUWFJFHSA-N 1 3 359.514 2.268 20 0 FEADHO C[N@@H+](CCCNC(=O)[C@H]1CCCN1C1CCOCC1)Cc1ccccc1 ZINC000153675090 544806400 /nfs/dbraw/zinc/80/64/00/544806400.db2.gz WMMFQFOOXMFKIM-HXUWFJFHSA-N 1 3 359.514 2.268 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccco1)[N@@H+]1CCC[C@@H](C)C1 ZINC000154041036 544856867 /nfs/dbraw/zinc/85/68/67/544856867.db2.gz SIXFVSMEWSDKCZ-SJORKVTESA-N 1 3 350.507 2.473 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccco1)[N@H+]1CCC[C@@H](C)C1 ZINC000154041036 544856869 /nfs/dbraw/zinc/85/68/69/544856869.db2.gz SIXFVSMEWSDKCZ-SJORKVTESA-N 1 3 350.507 2.473 20 0 FEADHO Cc1c([C@@H](C)NCCCC[NH+]2CCN(C)CC2)nnn1-c1ccc(F)cc1 ZINC000154396255 544901308 /nfs/dbraw/zinc/90/13/08/544901308.db2.gz AOPCPLJQWSNSLF-MRXNPFEDSA-N 1 3 374.508 2.393 20 0 FEADHO CCN1CCC(NC(=O)CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000154751884 544944740 /nfs/dbraw/zinc/94/47/40/544944740.db2.gz QMDQFTQPULZKNM-IBGZPJMESA-N 1 3 364.578 2.031 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C[C@@H]3CCC[NH2+]3)C3CC3)cc2)CC1 ZINC000186527245 327966245 /nfs/dbraw/zinc/96/62/45/327966245.db2.gz MHAMQJFMMRLKTO-SFHVURJKSA-N 1 3 356.514 2.185 20 0 FEADHO CC[NH+](CC)CCOc1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1 ZINC000188707497 328105561 /nfs/dbraw/zinc/10/55/61/328105561.db2.gz DMLIWJDDWORHEZ-UHFFFAOYSA-N 1 3 357.458 2.028 20 0 FEADHO CC1CC[NH+](Cc2cccc(CNC(=O)c3[nH]nc4c3CNCC4)c2)CC1 ZINC000188746816 328108411 /nfs/dbraw/zinc/10/84/11/328108411.db2.gz UKSNBFDWZCJKPW-UHFFFAOYSA-N 1 3 367.497 2.217 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000189498680 328151709 /nfs/dbraw/zinc/15/17/09/328151709.db2.gz UHYJVVSSTRWMGW-VQIMIIECSA-N 1 3 374.529 2.408 20 0 FEADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000190697333 328225455 /nfs/dbraw/zinc/22/54/55/328225455.db2.gz QTVCYAXRBTYZMS-UHFFFAOYSA-N 1 3 374.529 2.330 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000191093753 328249714 /nfs/dbraw/zinc/24/97/14/328249714.db2.gz JSIAWFGJUQRXIM-GOSISDBHSA-N 1 3 374.529 2.253 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000191093753 328249716 /nfs/dbraw/zinc/24/97/16/328249716.db2.gz JSIAWFGJUQRXIM-GOSISDBHSA-N 1 3 374.529 2.253 20 0 FEADHO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000192728428 328335579 /nfs/dbraw/zinc/33/55/79/328335579.db2.gz HSIDROZCFGCULA-LJQANCHMSA-N 1 3 366.594 2.275 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000194019469 328406972 /nfs/dbraw/zinc/40/69/72/328406972.db2.gz LYARIWGFMWPWGE-CEXWTWQISA-N 1 3 357.498 2.025 20 0 FEADHO CCC(CC)[C@H](CNC(=O)NC1CCN(CCOC)CC1)[NH+]1CCCC1 ZINC000195140028 328458022 /nfs/dbraw/zinc/45/80/22/328458022.db2.gz ZTEIPCWXVJESMP-IBGZPJMESA-N 1 3 368.566 2.297 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000048605238 324668417 /nfs/dbraw/zinc/66/84/17/324668417.db2.gz AYSMUOJSXBRVHB-UHFFFAOYSA-N 1 3 360.502 2.112 20 0 FEADHO CC1CCN([C@@H](CNC(=O)C[NH2+]C[C@@H]2CCCO2)c2cccs2)CC1 ZINC000236651111 328490726 /nfs/dbraw/zinc/49/07/26/328490726.db2.gz ZEUADTHEZRASSU-IRXDYDNUSA-N 1 3 365.543 2.406 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2CCCCN2)cc1OC ZINC000236883289 328497057 /nfs/dbraw/zinc/49/70/57/328497057.db2.gz KMWNNMVEQVHDNU-QGZVFWFLSA-N 1 3 363.502 2.174 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)CC3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000237400701 328514997 /nfs/dbraw/zinc/51/49/97/328514997.db2.gz WQZHYAYLAWEFTD-IAGOWNOFSA-N 1 3 351.535 2.114 20 0 FEADHO O=C(NCCN1CCCCC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000078987810 325070872 /nfs/dbraw/zinc/07/08/72/325070872.db2.gz BHRASSRGZYIMCP-UHFFFAOYSA-N 1 3 358.530 2.479 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](C)CN2CCOCC2)CC1 ZINC000088727651 325299846 /nfs/dbraw/zinc/29/98/46/325299846.db2.gz UYDHIDSSYHUMFX-FQEVSTJZSA-N 1 3 374.573 2.277 20 0 FEADHO C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000091286507 325384842 /nfs/dbraw/zinc/38/48/42/325384842.db2.gz LOBDIQJVBMMTBL-HOTGVXAUSA-N 1 3 353.532 2.497 20 0 FEADHO C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000091286507 325384845 /nfs/dbraw/zinc/38/48/45/325384845.db2.gz LOBDIQJVBMMTBL-HOTGVXAUSA-N 1 3 353.532 2.497 20 0 FEADHO Cc1noc2nc(C(C)C)cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c12 ZINC000103211021 325510256 /nfs/dbraw/zinc/51/02/56/325510256.db2.gz NQEGFKRGNMKBIH-UHFFFAOYSA-N 1 3 361.490 2.220 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000107387227 325627317 /nfs/dbraw/zinc/62/73/17/325627317.db2.gz GNCJQSNXAPSORW-UHFFFAOYSA-N 1 3 361.534 2.419 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@]2(C)CCC[NH2+]C2)CCOCC1)c1ccccc1 ZINC000120362308 326252432 /nfs/dbraw/zinc/25/24/32/326252432.db2.gz ZMQUCAYAGPDLMP-FXAWDEMLSA-N 1 3 359.514 2.392 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@]3(C)CCC[NH2+]C3)CC2)c1 ZINC000120504692 326264034 /nfs/dbraw/zinc/26/40/34/326264034.db2.gz ZPLGKSKIICYIDF-QFIPXVFZSA-N 1 3 372.557 2.403 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000122212967 326388253 /nfs/dbraw/zinc/38/82/53/326388253.db2.gz DILQQZOEXVOGMQ-SFHVURJKSA-N 1 3 353.551 2.458 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000122212967 326388254 /nfs/dbraw/zinc/38/82/54/326388254.db2.gz DILQQZOEXVOGMQ-SFHVURJKSA-N 1 3 353.551 2.458 20 0 FEADHO CCN(CC)CCC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000131417893 326574370 /nfs/dbraw/zinc/57/43/70/326574370.db2.gz NROZAMIXLKWHHV-UHFFFAOYSA-N 1 3 367.559 2.470 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H](C[NH3+])C3CCCCC3)cc2)CC1 ZINC000155682195 326799822 /nfs/dbraw/zinc/79/98/22/326799822.db2.gz GERSUSCSWVBDHS-HXUWFJFHSA-N 1 3 358.530 2.466 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)C[C@H](C)O1 ZINC000166428300 327082273 /nfs/dbraw/zinc/08/22/73/327082273.db2.gz XEBIKROXMRPCPR-DLRXZHIHSA-N 1 3 363.546 2.255 20 0 FEADHO CN(C)Cc1cccc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000172478440 327203453 /nfs/dbraw/zinc/20/34/53/327203453.db2.gz DARZFEHDYKAWBI-QGZVFWFLSA-N 1 3 360.502 2.371 20 0 FEADHO CN(C)Cc1cccc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000172478437 327203581 /nfs/dbraw/zinc/20/35/81/327203581.db2.gz DARZFEHDYKAWBI-KRWDZBQOSA-N 1 3 360.502 2.371 20 0 FEADHO CN(C)[C@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccccc1 ZINC000173326038 327249979 /nfs/dbraw/zinc/24/99/79/327249979.db2.gz WSPRDXANFPTTMT-RTBURBONSA-N 1 3 362.518 2.042 20 0 FEADHO COc1ccc(COC[C@@H](O)C[N@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC000173962671 327298046 /nfs/dbraw/zinc/29/80/46/327298046.db2.gz FBCIJINEHZAQGO-OALUTQOASA-N 1 3 350.503 2.379 20 0 FEADHO COc1ccc(COC[C@@H](O)C[N@@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC000173962671 327298048 /nfs/dbraw/zinc/29/80/48/327298048.db2.gz FBCIJINEHZAQGO-OALUTQOASA-N 1 3 350.503 2.379 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000174149200 327308864 /nfs/dbraw/zinc/30/88/64/327308864.db2.gz FIAJILGFBQSLBO-IBGZPJMESA-N 1 3 374.529 2.254 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc2)CC1 ZINC000174319533 327319206 /nfs/dbraw/zinc/31/92/06/327319206.db2.gz RIJIDTPWQMRGIN-IBGZPJMESA-N 1 3 370.541 2.386 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000174527120 327332777 /nfs/dbraw/zinc/33/27/77/327332777.db2.gz WSMNOTSUZDTDIM-SFHVURJKSA-N 1 3 354.539 2.003 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1nccs1 ZINC000174771512 327349901 /nfs/dbraw/zinc/34/99/01/327349901.db2.gz XONRGJRYRXGPFI-GJZGRUSLSA-N 1 3 353.536 2.262 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1nccs1 ZINC000174771512 327349903 /nfs/dbraw/zinc/34/99/03/327349903.db2.gz XONRGJRYRXGPFI-GJZGRUSLSA-N 1 3 353.536 2.262 20 0 FEADHO CCN1CCCC[C@H]1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174840565 327354470 /nfs/dbraw/zinc/35/44/70/327354470.db2.gz PIRSJLKLYGRTDW-SFHVURJKSA-N 1 3 366.550 2.147 20 0 FEADHO C[C@H](C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)N1CCCCCC1 ZINC000175832302 327416643 /nfs/dbraw/zinc/41/66/43/327416643.db2.gz FNKRKCJKKKOXPA-SLFFLAALSA-N 1 3 364.578 2.268 20 0 FEADHO O=C(NCc1nc(-c2cccc(CN3CCCCC3)c2)no1)[C@@H]1CCC[NH2+]1 ZINC000261876969 328826332 /nfs/dbraw/zinc/82/63/32/328826332.db2.gz VVLKLCLQBWSSOD-KRWDZBQOSA-N 1 3 369.469 2.091 20 0 FEADHO CN(C)C1(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])Cc2ccccc2C1 ZINC000262386880 328862747 /nfs/dbraw/zinc/86/27/47/328862747.db2.gz YKJKZHXXYORMDK-BANKROOTSA-N 1 3 355.526 2.355 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)C1(COC)CC[NH2+]CC1)c1ccsc1 ZINC000262440839 328866167 /nfs/dbraw/zinc/86/61/67/328866167.db2.gz YDJABUWEYIRCME-INIZCTEOSA-N 1 3 353.532 2.263 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/c1cnc(C)s1 ZINC000264778195 329059619 /nfs/dbraw/zinc/05/96/19/329059619.db2.gz ONTZMHLCHNIZPX-FDMDGMSGSA-N 1 3 350.532 2.339 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/c1cnc(C)s1 ZINC000264778195 329059621 /nfs/dbraw/zinc/05/96/21/329059621.db2.gz ONTZMHLCHNIZPX-FDMDGMSGSA-N 1 3 350.532 2.339 20 0 FEADHO Cc1c(C(=O)N(CCCN(C)C)CCC[NH+](C)C)[nH]c2c1C(=O)CCC2 ZINC000264935789 329076158 /nfs/dbraw/zinc/07/61/58/329076158.db2.gz UGMHUQZNVZFXNC-UHFFFAOYSA-N 1 3 362.518 2.188 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@H]3Cc3ccccc3)CC2)CC1 ZINC000266770664 329258289 /nfs/dbraw/zinc/25/82/89/329258289.db2.gz PXIUTDBBMKQFLR-NQIIRXRSSA-N 1 3 370.541 2.475 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H](C)[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000267182163 329300235 /nfs/dbraw/zinc/30/02/35/329300235.db2.gz BVFMRVFYLUYLRD-IFMALSPDSA-N 1 3 374.573 2.066 20 0 FEADHO CN(CCC(=O)Nc1ccccc1F)CC[N@H+](C)C1CCN(C)CC1 ZINC000267440183 329327570 /nfs/dbraw/zinc/32/75/70/329327570.db2.gz BNPKNUCBTNIXPY-UHFFFAOYSA-N 1 3 350.482 2.112 20 0 FEADHO CN(CCC(=O)Nc1ccccc1F)CC[N@@H+](C)C1CCN(C)CC1 ZINC000267440183 329327571 /nfs/dbraw/zinc/32/75/71/329327571.db2.gz BNPKNUCBTNIXPY-UHFFFAOYSA-N 1 3 350.482 2.112 20 0 FEADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000267511183 329334445 /nfs/dbraw/zinc/33/44/45/329334445.db2.gz LUMOVNGFFWXULJ-HOJAQTOUSA-N 1 3 374.529 2.059 20 0 FEADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000267511183 329334447 /nfs/dbraw/zinc/33/44/47/329334447.db2.gz LUMOVNGFFWXULJ-HOJAQTOUSA-N 1 3 374.529 2.059 20 0 FEADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1(O)CCN(C)CC1 ZINC000269000106 329476909 /nfs/dbraw/zinc/47/69/09/329476909.db2.gz OWAIKFOAZWVRMO-HNNXBMFYSA-N 1 3 367.921 2.123 20 0 FEADHO CC[NH+]1CCC(NC(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)CC1 ZINC000276533239 330162041 /nfs/dbraw/zinc/16/20/41/330162041.db2.gz RCEFFMQOZCXXBL-SFHVURJKSA-N 1 3 359.518 2.029 20 0 FEADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000361405922 330202747 /nfs/dbraw/zinc/20/27/47/330202747.db2.gz SCKCNULILLWDRO-VQTJNVASSA-N 1 3 371.525 2.134 20 0 FEADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000361405922 330202748 /nfs/dbraw/zinc/20/27/48/330202748.db2.gz SCKCNULILLWDRO-VQTJNVASSA-N 1 3 371.525 2.134 20 0 FEADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000367030106 330209102 /nfs/dbraw/zinc/20/91/02/330209102.db2.gz OXSHYPFORANCIU-SFTDATJTSA-N 1 3 371.525 2.248 20 0 FEADHO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000367030106 330209104 /nfs/dbraw/zinc/20/91/04/330209104.db2.gz OXSHYPFORANCIU-SFTDATJTSA-N 1 3 371.525 2.248 20 0 FEADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(OCCO)CCOCC2)CC1 ZINC000367091994 330216030 /nfs/dbraw/zinc/21/60/30/330216030.db2.gz MTUKNXXZILLEAQ-IEBWSBKVSA-N 1 3 354.535 2.177 20 0 FEADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC2(OCCO)CCOCC2)CC1 ZINC000367091994 330216031 /nfs/dbraw/zinc/21/60/31/330216031.db2.gz MTUKNXXZILLEAQ-IEBWSBKVSA-N 1 3 354.535 2.177 20 0 FEADHO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)cn1 ZINC000414083053 330260132 /nfs/dbraw/zinc/26/01/32/330260132.db2.gz VPXXLIKOSOTBSK-MRXNPFEDSA-N 1 3 370.497 2.102 20 0 FEADHO CCc1ccc([C@@H](CNC(=O)CCCN2CCC([NH3+])CC2)N(C)C)cc1 ZINC000433137950 330272438 /nfs/dbraw/zinc/27/24/38/330272438.db2.gz QHGQWAZOJPJMGP-HXUWFJFHSA-N 1 3 360.546 2.171 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000158627078 545879278 /nfs/dbraw/zinc/87/92/78/545879278.db2.gz COYRIZFYXGVMOP-SFTDATJTSA-N 1 3 372.557 2.356 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000158687054 545884299 /nfs/dbraw/zinc/88/42/99/545884299.db2.gz OVKQNHNHYULIBL-TZIWHRDSSA-N 1 3 372.557 2.213 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCCS(=O)(=O)N(C)C)CC1 ZINC000158952676 545908016 /nfs/dbraw/zinc/90/80/16/545908016.db2.gz ZLRDJXDWORJWHK-QGZVFWFLSA-N 1 3 359.580 2.244 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCCS(=O)(=O)N(C)C)CC1 ZINC000158952676 545908021 /nfs/dbraw/zinc/90/80/21/545908021.db2.gz ZLRDJXDWORJWHK-QGZVFWFLSA-N 1 3 359.580 2.244 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000158959903 545909581 /nfs/dbraw/zinc/90/95/81/545909581.db2.gz BJRBJRFEKQWSDK-MRXNPFEDSA-N 1 3 364.534 2.293 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000158959903 545909586 /nfs/dbraw/zinc/90/95/86/545909586.db2.gz BJRBJRFEKQWSDK-MRXNPFEDSA-N 1 3 364.534 2.293 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000478934756 561178535 /nfs/dbraw/zinc/17/85/35/561178535.db2.gz ZRJCVTLJDTYBGN-OALUTQOASA-N 1 3 374.529 2.395 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000478934756 561178536 /nfs/dbraw/zinc/17/85/36/561178536.db2.gz ZRJCVTLJDTYBGN-OALUTQOASA-N 1 3 374.529 2.395 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000176247368 546424071 /nfs/dbraw/zinc/42/40/71/546424071.db2.gz GJAFGJCUVJZGTG-UHFFFAOYSA-N 1 3 368.566 2.438 20 0 FEADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000176381165 546438400 /nfs/dbraw/zinc/43/84/00/546438400.db2.gz UOILZOLSSCEXOB-LJQANCHMSA-N 1 3 359.518 2.391 20 0 FEADHO Cc1c([C@H](C)NC2CCN(CC[NH+](C)C)CC2)nnn1-c1ccccc1 ZINC000480538476 561211467 /nfs/dbraw/zinc/21/14/67/561211467.db2.gz STOBLFBESUWGEZ-INIZCTEOSA-N 1 3 356.518 2.252 20 0 FEADHO CCO[C@@H](C)c1nc(CN2CCN(CC3CC[NH2+]CC3)CC2)cs1 ZINC000178983136 546883313 /nfs/dbraw/zinc/88/33/13/546883313.db2.gz HVXHUCFZOQWDDP-HNNXBMFYSA-N 1 3 352.548 2.358 20 0 FEADHO Cc1cccc(C)c1OC[C@H](O)CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180944175 547216051 /nfs/dbraw/zinc/21/60/51/547216051.db2.gz WMWQIBJWMZLTRS-HXUWFJFHSA-N 1 3 363.546 2.001 20 0 FEADHO C[C@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)N1CCCC[C@@H]1C ZINC000483717313 561282590 /nfs/dbraw/zinc/28/25/90/561282590.db2.gz WQEZSCXAXHZBOC-ZWKOTPCHSA-N 1 3 368.566 2.392 20 0 FEADHO C[C@H](CCNC(=O)N(CCN(C)C)Cc1ccccn1)[NH+]1CCCCC1 ZINC000182678831 547532086 /nfs/dbraw/zinc/53/20/86/547532086.db2.gz XAFGDTIBXWXBKP-GOSISDBHSA-N 1 3 361.534 2.419 20 0 FEADHO C[C@H](NC(=O)[C@@H]1CCCN1C1CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182866045 547563541 /nfs/dbraw/zinc/56/35/41/547563541.db2.gz NPYDJZVGLAHFIQ-QKLQHJQFSA-N 1 3 363.546 2.399 20 0 FEADHO C[C@H](NC(=O)[C@@H]1CCCN1C1CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182866045 547563542 /nfs/dbraw/zinc/56/35/42/547563542.db2.gz NPYDJZVGLAHFIQ-QKLQHJQFSA-N 1 3 363.546 2.399 20 0 FEADHO Cc1cc2c(cc1C)[C@H](C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CO2 ZINC000184287176 547800892 /nfs/dbraw/zinc/80/08/92/547800892.db2.gz IARBBDWNISDNET-HXUWFJFHSA-N 1 3 371.525 2.454 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCC(F)(F)F ZINC000184744035 547873886 /nfs/dbraw/zinc/87/38/86/547873886.db2.gz GLRUIFOGXXXWCZ-KBPBESRZSA-N 1 3 357.420 2.411 20 0 FEADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485809115 561328613 /nfs/dbraw/zinc/32/86/13/561328613.db2.gz APIWCTNZDNSEJJ-ROUUACIJSA-N 1 3 367.497 2.271 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC3Cc4ccccc4C3)CC2)CC1 ZINC000186556254 548151712 /nfs/dbraw/zinc/15/17/12/548151712.db2.gz XCMPVIQKBFRIJE-UHFFFAOYSA-N 1 3 356.514 2.012 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000194019480 548423088 /nfs/dbraw/zinc/42/30/88/548423088.db2.gz XFRVWABISDYXNW-VAMGGRTRSA-N 1 3 371.525 2.415 20 0 FEADHO Cc1ccc(-c2cc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)[nH]n2)o1 ZINC000195204283 548596171 /nfs/dbraw/zinc/59/61/71/548596171.db2.gz OVUGOXOOJJIKFZ-UHFFFAOYSA-N 1 3 371.485 2.267 20 0 FEADHO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](N)c3ccccc3)cc2)CC1 ZINC000236964470 548791200 /nfs/dbraw/zinc/79/12/00/548791200.db2.gz CJFDGXYKZWNSBB-HXUWFJFHSA-N 1 3 352.482 2.463 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)C2(C[NH3+])CCCC2)cc1)[C@H]1CCCN(C)C1 ZINC000237186668 548806812 /nfs/dbraw/zinc/80/68/12/548806812.db2.gz UYDUBVLCHQOTKN-SFHVURJKSA-N 1 3 372.513 2.310 20 0 FEADHO CCC[N@H+](CC)CCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000245424728 548914751 /nfs/dbraw/zinc/91/47/51/548914751.db2.gz CWOXYAVCSRIRDI-ROUUACIJSA-N 1 3 368.566 2.249 20 0 FEADHO CCC[N@@H+](CC)CCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000245424728 548914754 /nfs/dbraw/zinc/91/47/54/548914754.db2.gz CWOXYAVCSRIRDI-ROUUACIJSA-N 1 3 368.566 2.249 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000245651081 548966513 /nfs/dbraw/zinc/96/65/13/548966513.db2.gz MYWNZHQEFDXVAS-VQTJNVASSA-N 1 3 374.529 2.232 20 0 FEADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C2)C1 ZINC000488394474 561389162 /nfs/dbraw/zinc/38/91/62/561389162.db2.gz FZDOFMQMRCOIKI-PZJWPPBQSA-N 1 3 356.514 2.388 20 0 FEADHO C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C2)C1 ZINC000488394474 561389163 /nfs/dbraw/zinc/38/91/63/561389163.db2.gz FZDOFMQMRCOIKI-PZJWPPBQSA-N 1 3 356.514 2.388 20 0 FEADHO CSC[C@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000488503507 561391006 /nfs/dbraw/zinc/39/10/06/561391006.db2.gz ORYGIXAVLAADRZ-INIZCTEOSA-N 1 3 368.591 2.330 20 0 FEADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246441597 549133091 /nfs/dbraw/zinc/13/30/91/549133091.db2.gz WPTNOBMURPBOTO-QUCCMNQESA-N 1 3 372.557 2.039 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000488946471 561400072 /nfs/dbraw/zinc/40/00/72/561400072.db2.gz FQFRKEQGUPOINX-CTNGQTDRSA-N 1 3 374.529 2.061 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000488946471 561400073 /nfs/dbraw/zinc/40/00/73/561400073.db2.gz FQFRKEQGUPOINX-CTNGQTDRSA-N 1 3 374.529 2.061 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000246933127 549245830 /nfs/dbraw/zinc/24/58/30/549245830.db2.gz HGXRHSFTRNBMIS-IFMALSPDSA-N 1 3 373.589 2.299 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247302423 549314377 /nfs/dbraw/zinc/31/43/77/549314377.db2.gz UURXVXFOYKGVHG-AZUAARDMSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247302423 549314381 /nfs/dbraw/zinc/31/43/81/549314381.db2.gz UURXVXFOYKGVHG-AZUAARDMSA-N 1 3 374.529 2.253 20 0 FEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1OCCN(C)C ZINC000489254498 561406597 /nfs/dbraw/zinc/40/65/97/561406597.db2.gz IUXKEIMBJBWUCJ-SFHVURJKSA-N 1 3 362.518 2.301 20 0 FEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1OCCN(C)C ZINC000489254498 561406598 /nfs/dbraw/zinc/40/65/98/561406598.db2.gz IUXKEIMBJBWUCJ-SFHVURJKSA-N 1 3 362.518 2.301 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3[C@H]4Cc5ccccc5[C@@H]34)CC2)CC1 ZINC000248196582 549415402 /nfs/dbraw/zinc/41/54/02/549415402.db2.gz LGLBSHXFBXXGGO-PWRODBHTSA-N 1 3 368.525 2.183 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000252442049 549664305 /nfs/dbraw/zinc/66/43/05/549664305.db2.gz GDCBVGIGEJQYRE-CEXWTWQISA-N 1 3 368.566 2.155 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000252442049 549664310 /nfs/dbraw/zinc/66/43/10/549664310.db2.gz GDCBVGIGEJQYRE-CEXWTWQISA-N 1 3 368.566 2.155 20 0 FEADHO C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261670759 549740570 /nfs/dbraw/zinc/74/05/70/549740570.db2.gz LPXCBSMSXUJPRW-TZMCWYRMSA-N 1 3 359.392 2.433 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000261917049 549769343 /nfs/dbraw/zinc/76/93/43/549769343.db2.gz XDWGVXZWJHPEEH-QGZVFWFLSA-N 1 3 359.514 2.413 20 0 FEADHO C[C@H]1C[C@@H](N(C)C(=O)C2(C[NH3+])CCOCC2)CCN1Cc1ccccc1 ZINC000262068336 549785517 /nfs/dbraw/zinc/78/55/17/549785517.db2.gz BJWZCESEPPBECI-HKUYNNGSSA-N 1 3 359.514 2.253 20 0 FEADHO COc1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1OCC(F)(F)F ZINC000262086779 549788095 /nfs/dbraw/zinc/78/80/95/549788095.db2.gz GDAPBTQKRIMJDQ-OAHLLOKOSA-N 1 3 373.419 2.116 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000262334194 549811319 /nfs/dbraw/zinc/81/13/19/549811319.db2.gz YURZDRGOWCAZOY-JFRXWTBNSA-N 1 3 351.535 2.242 20 0 FEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262850193 549855310 /nfs/dbraw/zinc/85/53/10/549855310.db2.gz VDWMYQQDSWKMLX-AEFFLSMTSA-N 1 3 355.486 2.058 20 0 FEADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])ccc2oc1=O ZINC000263003899 549870545 /nfs/dbraw/zinc/87/05/45/549870545.db2.gz OYUPDXVRLLDVJR-LIRRHRJNSA-N 1 3 360.458 2.002 20 0 FEADHO [NH3+][C@@H]1CCC[C@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000269277879 550175493 /nfs/dbraw/zinc/17/54/93/550175493.db2.gz YKIWPWURZZJJGK-DOTOQJQBSA-N 1 3 363.477 2.303 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@@H]2CCC[C@]2(C)CO)CC1 ZINC000493412108 561455934 /nfs/dbraw/zinc/45/59/34/561455934.db2.gz MYACGHFHDNBJQJ-IFMALSPDSA-N 1 3 373.541 2.216 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@]2(C)CO)CC1 ZINC000493412108 561455935 /nfs/dbraw/zinc/45/59/35/561455935.db2.gz MYACGHFHDNBJQJ-IFMALSPDSA-N 1 3 373.541 2.216 20 0 FEADHO CN1CC[C@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)[C@@H]1c1ccccc1 ZINC000270256756 550256910 /nfs/dbraw/zinc/25/69/10/550256910.db2.gz GZPBKCBPKZSTFS-JENIJYKNSA-N 1 3 362.543 2.168 20 0 FEADHO CN1CC[C@H]2CCN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC000272593887 550459637 /nfs/dbraw/zinc/45/96/37/550459637.db2.gz OJCXMMXNPQSTHY-HKUYNNGSSA-N 1 3 357.502 2.034 20 0 FEADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000273737942 550509955 /nfs/dbraw/zinc/50/99/55/550509955.db2.gz NPLOYIHQPOANIU-NRFANRHFSA-N 1 3 370.545 2.335 20 0 FEADHO COc1ccc2c(c1)[C@@H](C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CC2 ZINC000277267747 550649747 /nfs/dbraw/zinc/64/97/47/550649747.db2.gz RJVVRYLCZHWXNC-FQEVSTJZSA-N 1 3 371.525 2.400 20 0 FEADHO C[C@@H](NC(C)(C)CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000278651495 550808270 /nfs/dbraw/zinc/80/82/70/550808270.db2.gz AMFULXIZAZRZNK-ZBFHGGJFSA-N 1 3 355.486 2.346 20 0 FEADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(Cl)cc1-n1cncn1 ZINC000280421380 550992038 /nfs/dbraw/zinc/99/20/38/550992038.db2.gz WWAQSCYJNKGRSK-MRXNPFEDSA-N 1 3 351.882 2.367 20 0 FEADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C(C)(C)n1cncn1 ZINC000280949859 551048678 /nfs/dbraw/zinc/04/86/78/551048678.db2.gz IONOPFTWNHOJQH-MRXNPFEDSA-N 1 3 357.502 2.148 20 0 FEADHO CCCN(CC[NH+](C)C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000496299903 561493436 /nfs/dbraw/zinc/49/34/36/561493436.db2.gz CUPGNHRQEMVZIF-UHFFFAOYSA-N 1 3 360.546 2.389 20 0 FEADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282464162 551232950 /nfs/dbraw/zinc/23/29/50/551232950.db2.gz VWCYYGZTXLOVGX-FQEVSTJZSA-N 1 3 370.545 2.334 20 0 FEADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)CC1 ZINC000283430096 551364812 /nfs/dbraw/zinc/36/48/12/551364812.db2.gz WXOWTYYXUNJVBW-QGZVFWFLSA-N 1 3 358.530 2.272 20 0 FEADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)c3ccc(=O)[nH]n3)CC2)c1 ZINC000285687738 551795446 /nfs/dbraw/zinc/79/54/46/551795446.db2.gz OHRTTWGWHKIMJW-GOSISDBHSA-N 1 3 369.513 2.331 20 0 FEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000289956915 552405422 /nfs/dbraw/zinc/40/54/22/552405422.db2.gz PPNPMDBBNYYRIN-DNVCBOLYSA-N 1 3 363.477 2.173 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C(=O)OC)c(C)n2C)[C@H](C)C1 ZINC000291304164 552612546 /nfs/dbraw/zinc/61/25/46/552612546.db2.gz XAVVGHLKAWLBKT-BEFAXECRSA-N 1 3 365.518 2.347 20 0 FEADHO C[C@H]1CN(CCCC[NH2+]Cc2cnnn2Cc2ccccc2)C[C@H](C)O1 ZINC000291994475 552682459 /nfs/dbraw/zinc/68/24/59/552682459.db2.gz UFZFDIDTFCGPGQ-ROUUACIJSA-N 1 3 357.502 2.305 20 0 FEADHO CC[NH+]1CCN(CCC(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000501617815 561602300 /nfs/dbraw/zinc/60/23/00/561602300.db2.gz IGWAERVJGBWLSH-UXHICEINSA-N 1 3 372.557 2.135 20 0 FEADHO OCCCN1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000295045206 552953739 /nfs/dbraw/zinc/95/37/39/552953739.db2.gz FFJIZPAUTZSCNG-MYGLTJDJSA-N 1 3 357.542 2.333 20 0 FEADHO OCCCN1CCC[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000295045206 552953741 /nfs/dbraw/zinc/95/37/41/552953741.db2.gz FFJIZPAUTZSCNG-MYGLTJDJSA-N 1 3 357.542 2.333 20 0 FEADHO OCCCN1CCC[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000295045206 552953743 /nfs/dbraw/zinc/95/37/43/552953743.db2.gz FFJIZPAUTZSCNG-MYGLTJDJSA-N 1 3 357.542 2.333 20 0 FEADHO C[NH+](C)[C@@H](CNC(=O)CN1CCC2(CCC(O)CC2)CC1)c1ccccc1 ZINC000295611889 553033764 /nfs/dbraw/zinc/03/37/64/553033764.db2.gz DFVUGZYONZCIOC-FQEVSTJZSA-N 1 3 373.541 2.423 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2CCO)CC1 ZINC000502854384 561627736 /nfs/dbraw/zinc/62/77/36/561627736.db2.gz FKLOEKCFKMARBZ-WIYYLYMNSA-N 1 3 373.541 2.216 20 0 FEADHO CCO[C@@H]1C[C@H](NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@@H]1SC ZINC000297734509 553331858 /nfs/dbraw/zinc/33/18/58/553331858.db2.gz SPLPSCQRIUSZNN-HCXYKTFWSA-N 1 3 350.528 2.252 20 0 FEADHO CCO[C@@H]1C[C@H](NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@@H]1SC ZINC000297734509 553331860 /nfs/dbraw/zinc/33/18/60/553331860.db2.gz SPLPSCQRIUSZNN-HCXYKTFWSA-N 1 3 350.528 2.252 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)[C@@H]1SC ZINC000297734509 553331861 /nfs/dbraw/zinc/33/18/61/553331861.db2.gz SPLPSCQRIUSZNN-HCXYKTFWSA-N 1 3 350.528 2.252 20 0 FEADHO CCO[C@@H]1C[C@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@@H]1SC ZINC000297734515 553331998 /nfs/dbraw/zinc/33/19/98/553331998.db2.gz SPLPSCQRIUSZNN-OKYOBFRVSA-N 1 3 350.528 2.252 20 0 FEADHO CCO[C@@H]1C[C@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@@H]1SC ZINC000297734515 553332000 /nfs/dbraw/zinc/33/20/00/553332000.db2.gz SPLPSCQRIUSZNN-OKYOBFRVSA-N 1 3 350.528 2.252 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)[C@@H]1SC ZINC000297734515 553332003 /nfs/dbraw/zinc/33/20/03/553332003.db2.gz SPLPSCQRIUSZNN-OKYOBFRVSA-N 1 3 350.528 2.252 20 0 FEADHO CCOc1cc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)ccc1O ZINC000298220202 553399522 /nfs/dbraw/zinc/39/95/22/553399522.db2.gz AGUZVOFGEGZXNS-UHFFFAOYSA-N 1 3 370.497 2.488 20 0 FEADHO CC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccccc2F)CC1 ZINC000298921916 553489845 /nfs/dbraw/zinc/48/98/45/553489845.db2.gz AJRSYUJNUVFPAF-UHFFFAOYSA-N 1 3 350.482 2.383 20 0 FEADHO CCc1nc(CC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cs1 ZINC000505737157 561678771 /nfs/dbraw/zinc/67/87/71/561678771.db2.gz DXBWCAGFFCEUJS-MRXNPFEDSA-N 1 3 352.548 2.123 20 0 FEADHO CCc1nc(CC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cs1 ZINC000505737157 561678772 /nfs/dbraw/zinc/67/87/72/561678772.db2.gz DXBWCAGFFCEUJS-MRXNPFEDSA-N 1 3 352.548 2.123 20 0 FEADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](N(C2CCC2)S(C)(=O)=O)CC1 ZINC000328626297 553798398 /nfs/dbraw/zinc/79/83/98/553798398.db2.gz DZTHVHZFAHNOKL-SJLPKXTDSA-N 1 3 357.564 2.139 20 0 FEADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](N(C2CCC2)S(C)(=O)=O)CC1 ZINC000328626297 553798400 /nfs/dbraw/zinc/79/84/00/553798400.db2.gz DZTHVHZFAHNOKL-SJLPKXTDSA-N 1 3 357.564 2.139 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCOc1ccc(F)cc1 ZINC000505783342 561680592 /nfs/dbraw/zinc/68/05/92/561680592.db2.gz JWRYMPROXLONAF-GOSISDBHSA-N 1 3 365.493 2.469 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCOc1ccc(F)cc1 ZINC000505783342 561680593 /nfs/dbraw/zinc/68/05/93/561680593.db2.gz JWRYMPROXLONAF-GOSISDBHSA-N 1 3 365.493 2.469 20 0 FEADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CCCN1C1CCCC1 ZINC000332774132 554512240 /nfs/dbraw/zinc/51/22/40/554512240.db2.gz KSHSEKPOUOZRSC-VAMGGRTRSA-N 1 3 363.546 2.278 20 0 FEADHO C[C@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)C1=CCN(C)CC1 ZINC000510483353 561835923 /nfs/dbraw/zinc/83/59/23/561835923.db2.gz UTFNVXZIFKHOMC-INIZCTEOSA-N 1 3 360.502 2.077 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)CC1 ZINC000333119257 554575385 /nfs/dbraw/zinc/57/53/85/554575385.db2.gz HXFUPEWNMKNDTC-FFGOWVMKSA-N 1 3 365.562 2.239 20 0 FEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333161595 554581955 /nfs/dbraw/zinc/58/19/55/554581955.db2.gz GMXFAGWZHHPYDJ-QYZOEREBSA-N 1 3 366.550 2.179 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000333372296 554607108 /nfs/dbraw/zinc/60/71/08/554607108.db2.gz MOLIIXGJHGOJAV-CVEARBPZSA-N 1 3 354.564 2.035 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCN1Cc1ccccc1 ZINC000333442191 554613753 /nfs/dbraw/zinc/61/37/53/554613753.db2.gz WGSDGXYEJUJHFA-JUSBFGHESA-N 1 3 356.514 2.418 20 0 FEADHO C[C@H](NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)C1=CC[N@H+](C)CC1 ZINC000333483198 554617371 /nfs/dbraw/zinc/61/73/71/554617371.db2.gz SQQNQCURRDXRIE-VDGAXYAQSA-N 1 3 371.529 2.366 20 0 FEADHO C[C@H](NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)C1=CC[N@@H+](C)CC1 ZINC000333483198 554617373 /nfs/dbraw/zinc/61/73/73/554617373.db2.gz SQQNQCURRDXRIE-VDGAXYAQSA-N 1 3 371.529 2.366 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCOC(C)(C)C3)CC2)CC1 ZINC000333861452 554650080 /nfs/dbraw/zinc/65/00/80/554650080.db2.gz RUBUWXPOWAHPID-INIZCTEOSA-N 1 3 366.550 2.049 20 0 FEADHO COCc1ccccc1/C=C(/C)C[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000510905774 561850210 /nfs/dbraw/zinc/85/02/10/561850210.db2.gz ITFWASDVINYUMV-BLMOFCDVSA-N 1 3 359.514 2.413 20 0 FEADHO C[C@@H]1CN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC[C@H]1[NH3+] ZINC000333941757 554658683 /nfs/dbraw/zinc/65/86/83/554658683.db2.gz PHJCDKDBPSVGJB-BFYDXBDKSA-N 1 3 350.532 2.339 20 0 FEADHO Cn1cc([C@H](N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c2cccc(F)c2)cn1 ZINC000361067115 554902681 /nfs/dbraw/zinc/90/26/81/554902681.db2.gz MOSMSRPPKFAJFS-PZJWPPBQSA-N 1 3 371.504 2.407 20 0 FEADHO Cn1cc([C@H](N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c2cccc(F)c2)cn1 ZINC000361067115 554902683 /nfs/dbraw/zinc/90/26/83/554902683.db2.gz MOSMSRPPKFAJFS-PZJWPPBQSA-N 1 3 371.504 2.407 20 0 FEADHO CN1CCC[C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)[C@@H]1c1cccs1 ZINC000361710711 554930921 /nfs/dbraw/zinc/93/09/21/554930921.db2.gz LVBWYIXKTKATPK-JKIFEVAISA-N 1 3 353.557 2.342 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(OCCN(C)C)cc1 ZINC000363784280 555185787 /nfs/dbraw/zinc/18/57/87/555185787.db2.gz MSEOWEZATMOKDA-FUHWJXTLSA-N 1 3 357.502 2.290 20 0 FEADHO COCCCN1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000364371624 555300906 /nfs/dbraw/zinc/30/09/06/555300906.db2.gz IFMWGVPYHHUDBA-GOSISDBHSA-N 1 3 351.535 2.212 20 0 FEADHO COCCCN1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000364371624 555300907 /nfs/dbraw/zinc/30/09/07/555300907.db2.gz IFMWGVPYHHUDBA-GOSISDBHSA-N 1 3 351.535 2.212 20 0 FEADHO CC[NH+](CC)CCSCC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364554940 555337179 /nfs/dbraw/zinc/33/71/79/555337179.db2.gz MTXVCUQUAYJXDO-HKUYNNGSSA-N 1 3 364.559 2.266 20 0 FEADHO C[C@@H](CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)C[NH+]1CCCC1 ZINC000364704238 555380114 /nfs/dbraw/zinc/38/01/14/555380114.db2.gz JISZZHAOJBIATB-IHPCNDPISA-N 1 3 373.545 2.448 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N(C)CC[NH+](C)C)N(C)C)cc1 ZINC000512817147 561916698 /nfs/dbraw/zinc/91/66/98/561916698.db2.gz XZKZOKIQPFVDGM-GOSISDBHSA-N 1 3 350.507 2.280 20 0 FEADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000365339015 555547631 /nfs/dbraw/zinc/54/76/31/555547631.db2.gz SQMICVFOURJILL-NZSAHSFTSA-N 1 3 366.550 2.048 20 0 FEADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)[C@@H]1C ZINC000366304606 555807110 /nfs/dbraw/zinc/80/71/10/555807110.db2.gz HZIQUAZTRIXAKK-JTDSTZFVSA-N 1 3 351.535 2.112 20 0 FEADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C1(N)CCCCC1 ZINC000366319335 555811115 /nfs/dbraw/zinc/81/11/15/555811115.db2.gz BELSVIJCKJUQRD-UHFFFAOYSA-N 1 3 364.578 2.303 20 0 FEADHO COC1(C(=O)NC[C@H]2CCN(C)[C@H]2c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000366329359 555813558 /nfs/dbraw/zinc/81/35/58/555813558.db2.gz NWVRVFGCHCTEQL-WBVHZDCISA-N 1 3 365.905 2.218 20 0 FEADHO CC[NH+](CC)CCCN1CCC(OCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000514142695 561961825 /nfs/dbraw/zinc/96/18/25/561961825.db2.gz VLRCHPDNNIYEPM-KDURUIRLSA-N 1 3 355.567 2.309 20 0 FEADHO C[C@H]1CN(Cc2ccccc2N2CCOCC2)CCN1C1CC[NH+](C)CC1 ZINC000368050131 556204643 /nfs/dbraw/zinc/20/46/43/556204643.db2.gz CTQWSIFUOYOWFE-IBGZPJMESA-N 1 3 372.557 2.124 20 0 FEADHO O=C(NCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1F ZINC000515053327 561994143 /nfs/dbraw/zinc/99/41/43/561994143.db2.gz OICWRUFKQMCDFI-GHTZIAJQSA-N 1 3 369.440 2.401 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H](C)O1 ZINC000368290427 556269971 /nfs/dbraw/zinc/26/99/71/556269971.db2.gz NJFYSTPUYAVCMG-JTDSTZFVSA-N 1 3 357.514 2.205 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H](C)O1 ZINC000368290427 556269973 /nfs/dbraw/zinc/26/99/73/556269973.db2.gz NJFYSTPUYAVCMG-JTDSTZFVSA-N 1 3 357.514 2.205 20 0 FEADHO C[C@H](NC(C)(C)CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1ccccc1 ZINC000368392536 556295338 /nfs/dbraw/zinc/29/53/38/556295338.db2.gz GQLIGEHFPRNRNX-MIGBEJBISA-N 1 3 357.498 2.047 20 0 FEADHO Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCN(C3CCOCC3)CC2)c1 ZINC000368875817 556435697 /nfs/dbraw/zinc/43/56/97/556435697.db2.gz NDXXDEDLUYFBFW-FQEVSTJZSA-N 1 3 362.514 2.310 20 0 FEADHO Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCN(C3CCOCC3)CC2)c1 ZINC000368875817 556435699 /nfs/dbraw/zinc/43/56/99/556435699.db2.gz NDXXDEDLUYFBFW-FQEVSTJZSA-N 1 3 362.514 2.310 20 0 FEADHO C[C@H](CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)[N@H+](C)C1CC1 ZINC000369200503 556534171 /nfs/dbraw/zinc/53/41/71/556534171.db2.gz KJTSLKPUIFOIJS-SJLPKXTDSA-N 1 3 359.518 2.076 20 0 FEADHO C[C@H](CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)[N@@H+](C)C1CC1 ZINC000369200503 556534172 /nfs/dbraw/zinc/53/41/72/556534172.db2.gz KJTSLKPUIFOIJS-SJLPKXTDSA-N 1 3 359.518 2.076 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000369395410 556589481 /nfs/dbraw/zinc/58/94/81/556589481.db2.gz MLEIGNSQUIDLHN-WJFTUGDTSA-N 1 3 366.550 2.049 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000369395410 556589482 /nfs/dbraw/zinc/58/94/82/556589482.db2.gz MLEIGNSQUIDLHN-WJFTUGDTSA-N 1 3 366.550 2.049 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cccnc2)C1)C1CC[NH+](C2CC2)CC1 ZINC000369566804 556633318 /nfs/dbraw/zinc/63/33/18/556633318.db2.gz QXNCWLGNSPEECD-GOSISDBHSA-N 1 3 356.514 2.284 20 0 FEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000369572557 556635144 /nfs/dbraw/zinc/63/51/44/556635144.db2.gz ZINBAUDEXDYKEZ-JYBIWHBTSA-N 1 3 373.545 2.494 20 0 FEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000369572557 556635148 /nfs/dbraw/zinc/63/51/48/556635148.db2.gz ZINBAUDEXDYKEZ-JYBIWHBTSA-N 1 3 373.545 2.494 20 0 FEADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000369669052 556663917 /nfs/dbraw/zinc/66/39/17/556663917.db2.gz WODDBICSZABCPB-LWYYNNOASA-N 1 3 356.514 2.415 20 0 FEADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000369669052 556663920 /nfs/dbraw/zinc/66/39/20/556663920.db2.gz WODDBICSZABCPB-LWYYNNOASA-N 1 3 356.514 2.415 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)CC[N@@H+]1C ZINC000369862729 556715507 /nfs/dbraw/zinc/71/55/07/556715507.db2.gz USIYDVNZAOERKF-HOJAQTOUSA-N 1 3 373.545 2.418 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)CC[N@H+]1C ZINC000369862729 556715509 /nfs/dbraw/zinc/71/55/09/556715509.db2.gz USIYDVNZAOERKF-HOJAQTOUSA-N 1 3 373.545 2.418 20 0 FEADHO CN1CC[C@@H](CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)[C@@H]1c1cccnc1 ZINC000369891329 556722757 /nfs/dbraw/zinc/72/27/57/556722757.db2.gz DELACSXVLZYPGQ-VJANTYMQSA-N 1 3 359.518 2.246 20 0 FEADHO Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000516468446 562044119 /nfs/dbraw/zinc/04/41/19/562044119.db2.gz VSVFQRCAMMDTQG-MRXNPFEDSA-N 1 3 351.466 2.145 20 0 FEADHO C(CN1CCCO[C@@H]2CCC[C@@H]21)OCC[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000370167069 556799861 /nfs/dbraw/zinc/79/98/61/556799861.db2.gz ISLUPJBWFMZVJK-LWYYNNOASA-N 1 3 352.519 2.290 20 0 FEADHO C(CN1CCCO[C@@H]2CCC[C@@H]21)OCC[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000370167069 556799863 /nfs/dbraw/zinc/79/98/63/556799863.db2.gz ISLUPJBWFMZVJK-LWYYNNOASA-N 1 3 352.519 2.290 20 0 FEADHO C(CN1CCCO[C@H]2CCC[C@@H]21)OCC[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000370167069 556799866 /nfs/dbraw/zinc/79/98/66/556799866.db2.gz ISLUPJBWFMZVJK-LWYYNNOASA-N 1 3 352.519 2.290 20 0 FEADHO C(CN1CCCO[C@H]2CCC[C@@H]21)OCC[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000370167069 556799869 /nfs/dbraw/zinc/79/98/69/556799869.db2.gz ISLUPJBWFMZVJK-LWYYNNOASA-N 1 3 352.519 2.290 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)c2cccn2C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000370201853 556809052 /nfs/dbraw/zinc/80/90/52/556809052.db2.gz PLQSABMRFQKFFA-IAGOWNOFSA-N 1 3 362.518 2.032 20 0 FEADHO C[C@@H](NC(=O)N[C@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000370298580 556833061 /nfs/dbraw/zinc/83/30/61/556833061.db2.gz FGNZQZUSAFOELX-BDXSIMOUSA-N 1 3 368.566 2.151 20 0 FEADHO C[C@@H]1CN(CCC(=O)NCC2CCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371303390 557138299 /nfs/dbraw/zinc/13/82/99/557138299.db2.gz OIEQIXPZEDJLIP-QUCCMNQESA-N 1 3 364.578 2.031 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000517418807 562089894 /nfs/dbraw/zinc/08/98/94/562089894.db2.gz NUJMQIUHPUQVNG-WOJBJXKFSA-N 1 3 358.530 2.429 20 0 FEADHO CC[NH+]1CCC(CN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000517455904 562090575 /nfs/dbraw/zinc/09/05/75/562090575.db2.gz RDCVESFCOIDJDN-OAHLLOKOSA-N 1 3 353.532 2.319 20 0 FEADHO CC(C)N(C(=O)[C@@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000372367724 557451919 /nfs/dbraw/zinc/45/19/19/557451919.db2.gz HNUFWUAFBMOWTB-MJGOQNOKSA-N 1 3 352.567 2.121 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000519407393 562131341 /nfs/dbraw/zinc/13/13/41/562131341.db2.gz IWCGWATZMOJHCL-TZIWHRDSSA-N 1 3 370.541 2.433 20 0 FEADHO CN(CC[N@@H+]1CCC[C@@H](CN2CCN(C)CC2)C1)Cc1ccc(F)cc1 ZINC000372800792 557564920 /nfs/dbraw/zinc/56/49/20/557564920.db2.gz JMQTUOJCNNCHNV-HXUWFJFHSA-N 1 3 362.537 2.217 20 0 FEADHO CN(CC[N@H+]1CCC[C@@H](CN2CCN(C)CC2)C1)Cc1ccc(F)cc1 ZINC000372800792 557564922 /nfs/dbraw/zinc/56/49/22/557564922.db2.gz JMQTUOJCNNCHNV-HXUWFJFHSA-N 1 3 362.537 2.217 20 0 FEADHO O=C(NCCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCCC[NH2+]1 ZINC000519818354 562145150 /nfs/dbraw/zinc/14/51/50/562145150.db2.gz FIDJQPQQMPZBCE-NRFANRHFSA-N 1 3 372.557 2.233 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000520783556 562163649 /nfs/dbraw/zinc/16/36/49/562163649.db2.gz GJDXCNAKCQBTOR-QGZVFWFLSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000374189237 557840824 /nfs/dbraw/zinc/84/08/24/557840824.db2.gz HFUNIGGZLCEELD-IAGOWNOFSA-N 1 3 351.535 2.066 20 0 FEADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnc2cnccn12 ZINC000374282911 557857524 /nfs/dbraw/zinc/85/75/24/557857524.db2.gz IFNXKEZOLXSQGB-UHFFFAOYSA-N 1 3 370.545 2.357 20 0 FEADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000375130100 557981624 /nfs/dbraw/zinc/98/16/24/557981624.db2.gz YLRJONGQXIIMJP-SQNIBIBYSA-N 1 3 351.535 2.291 20 0 FEADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COC2CCOCC2)[C@H]1c1ccccc1 ZINC000375445171 558028822 /nfs/dbraw/zinc/02/88/22/558028822.db2.gz QQXJMQSDRMMMGU-SFHLNBCPSA-N 1 3 362.514 2.216 20 0 FEADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COC2CCOCC2)[C@H]1c1ccccc1 ZINC000375445171 558028823 /nfs/dbraw/zinc/02/88/23/558028823.db2.gz QQXJMQSDRMMMGU-SFHLNBCPSA-N 1 3 362.514 2.216 20 0 FEADHO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H](N)C3CCOCC3)CC2)cc1 ZINC000375710770 558071153 /nfs/dbraw/zinc/07/11/53/558071153.db2.gz IWCFXUNUKVHSKM-FQEVSTJZSA-N 1 3 359.514 2.077 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)CCN1Cc1ccccc1 ZINC000376761676 558218372 /nfs/dbraw/zinc/21/83/72/558218372.db2.gz VZDJEGNVJHMSDE-MJGOQNOKSA-N 1 3 374.529 2.059 20 0 FEADHO CN(c1ccccc1CN1CC[C@@H](n2cncn2)C1)C1CC[NH+](C)CC1 ZINC000377279984 558305419 /nfs/dbraw/zinc/30/54/19/558305419.db2.gz XOLFNMKJXSKNSP-LJQANCHMSA-N 1 3 354.502 2.256 20 0 FEADHO O=C(N1CC[C@H]2C[NH2+]C[C@H]21)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000377405273 558334352 /nfs/dbraw/zinc/33/43/52/558334352.db2.gz XULUOVDUSHOGJQ-JZXOWHBKSA-N 1 3 367.415 2.261 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(-c2cccnc2)n[nH]1 ZINC000377621287 558378738 /nfs/dbraw/zinc/37/87/38/558378738.db2.gz GAEJDRNZDXSLGO-IBGZPJMESA-N 1 3 356.518 2.320 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(-c2cccnc2)n[nH]1 ZINC000377621287 558378739 /nfs/dbraw/zinc/37/87/39/558378739.db2.gz GAEJDRNZDXSLGO-IBGZPJMESA-N 1 3 356.518 2.320 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)C[C@@H]1CSCCN1 ZINC000378208659 558503003 /nfs/dbraw/zinc/50/30/03/558503003.db2.gz UUPRTECYMSFZPK-BHIYHBOVSA-N 1 3 361.555 2.451 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)C[C@@H]1CSCCN1 ZINC000378208659 558503004 /nfs/dbraw/zinc/50/30/04/558503004.db2.gz UUPRTECYMSFZPK-BHIYHBOVSA-N 1 3 361.555 2.451 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378233510 558507730 /nfs/dbraw/zinc/50/77/30/558507730.db2.gz UXGIFCDZGUVZAH-CTNGQTDRSA-N 1 3 370.541 2.189 20 0 FEADHO CC(C)[C@H]1C[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000378387146 558545189 /nfs/dbraw/zinc/54/51/89/558545189.db2.gz XNAQXBHMKUDRJV-IEBWSBKVSA-N 1 3 366.550 2.048 20 0 FEADHO CN1CC[NH+](C[C@H]2CCCN(C[C@@H](O)c3ccc(Cl)cc3)C2)CC1 ZINC000378433105 558556069 /nfs/dbraw/zinc/55/60/69/558556069.db2.gz IYWULHMQAUQNFM-VQIMIIECSA-N 1 3 351.922 2.333 20 0 FEADHO N#Cc1ccccc1OC[C@H](O)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380129480 558602683 /nfs/dbraw/zinc/60/26/83/558602683.db2.gz SNQDHYRALGEUPB-PZJWPPBQSA-N 1 3 365.477 2.410 20 0 FEADHO N#Cc1ccccc1OC[C@H](O)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380129480 558602686 /nfs/dbraw/zinc/60/26/86/558602686.db2.gz SNQDHYRALGEUPB-PZJWPPBQSA-N 1 3 365.477 2.410 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCC1CCOCC1 ZINC000409618036 558708349 /nfs/dbraw/zinc/70/83/49/558708349.db2.gz NPAVZNIBUKHVAT-LJQANCHMSA-N 1 3 353.551 2.458 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCC1CCOCC1 ZINC000409618036 558708352 /nfs/dbraw/zinc/70/83/52/558708352.db2.gz NPAVZNIBUKHVAT-LJQANCHMSA-N 1 3 353.551 2.458 20 0 FEADHO Cc1cc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)ccc1C[NH+](C)C ZINC000411180268 558849583 /nfs/dbraw/zinc/84/95/83/558849583.db2.gz DBRWRJDLIOXCMP-RDJZCZTQSA-N 1 3 374.529 2.232 20 0 FEADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC000412679431 559050083 /nfs/dbraw/zinc/05/00/83/559050083.db2.gz WULLEMKVCWTIHY-VAMGGRTRSA-N 1 3 361.530 2.226 20 0 FEADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC000412679431 559050084 /nfs/dbraw/zinc/05/00/84/559050084.db2.gz WULLEMKVCWTIHY-VAMGGRTRSA-N 1 3 361.530 2.226 20 0 FEADHO C[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)CC(F)(F)F ZINC000413208542 559088659 /nfs/dbraw/zinc/08/86/59/559088659.db2.gz SDRDWXAFEDDUQW-ZDUSSCGKSA-N 1 3 364.456 2.433 20 0 FEADHO C[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(F)c1F ZINC000414200459 559152673 /nfs/dbraw/zinc/15/26/73/559152673.db2.gz RWLACOLICREMOA-OAHLLOKOSA-N 1 3 353.457 2.412 20 0 FEADHO CN1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000414307874 559155557 /nfs/dbraw/zinc/15/55/57/559155557.db2.gz PPHBPYNLOWPVGA-PCCBWWKXSA-N 1 3 357.542 2.476 20 0 FEADHO CN1CCC(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)(N2CCOCC2)CC1 ZINC000414481868 559167780 /nfs/dbraw/zinc/16/77/80/559167780.db2.gz KYEJJVLNHXHIDT-DLBZAZTESA-N 1 3 355.592 2.293 20 0 FEADHO C[C@H](CCc1ccc(O)cc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414491871 559168519 /nfs/dbraw/zinc/16/85/19/559168519.db2.gz ZKWMGVCXOBQJHO-GOSISDBHSA-N 1 3 361.530 2.100 20 0 FEADHO COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000414684340 559179432 /nfs/dbraw/zinc/17/94/32/559179432.db2.gz VIICSWIUGZLKFQ-MAUKXSAKSA-N 1 3 361.486 2.038 20 0 FEADHO COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000414684340 559179433 /nfs/dbraw/zinc/17/94/33/559179433.db2.gz VIICSWIUGZLKFQ-MAUKXSAKSA-N 1 3 361.486 2.038 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@H]2C)c1 ZINC000414708255 559181420 /nfs/dbraw/zinc/18/14/20/559181420.db2.gz QBCQHSUEXWDRQE-CVEARBPZSA-N 1 3 360.502 2.114 20 0 FEADHO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414741082 559183759 /nfs/dbraw/zinc/18/37/59/559183759.db2.gz HBEBPOXJZQJIEN-IKGGRYGDSA-N 1 3 362.493 2.158 20 0 FEADHO C[C@H]1C[C@H](CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414745501 559184346 /nfs/dbraw/zinc/18/43/46/559184346.db2.gz KQTHGNXQLARGTE-JKSUJKDBSA-N 1 3 365.905 2.251 20 0 FEADHO C[C@H]1C[C@@H](CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)CC[NH2+]1 ZINC000414750426 559184682 /nfs/dbraw/zinc/18/46/82/559184682.db2.gz QVEXNSGJYFXFCM-HOTGVXAUSA-N 1 3 354.516 2.179 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)c(C)c2)CC1 ZINC000414754312 559185228 /nfs/dbraw/zinc/18/52/28/559185228.db2.gz RTUDZGFEUICSQE-SJORKVTESA-N 1 3 359.518 2.338 20 0 FEADHO Cc1nn(C)c(OCC(F)(F)F)c1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780385 559187109 /nfs/dbraw/zinc/18/71/09/559187109.db2.gz LKZICSIFVORZFW-ZIAGYGMSSA-N 1 3 360.424 2.491 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCCC[C@H]1CC ZINC000414835433 559190196 /nfs/dbraw/zinc/19/01/96/559190196.db2.gz RTRYYZKLZAZPJO-QGZVFWFLSA-N 1 3 360.502 2.115 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2cccc(OCCN(C)C)c2)cc1 ZINC000414894513 559193642 /nfs/dbraw/zinc/19/36/42/559193642.db2.gz ZNAZIJOEJYQXLG-CQSZACIVSA-N 1 3 370.453 2.224 20 0 FEADHO O=C1CC[C@@H](NCc2ccccc2Br)[C@H](C2CC[NH2+]CC2)N1 ZINC000414984194 559198905 /nfs/dbraw/zinc/19/89/05/559198905.db2.gz FYIRTKNZDBAVFH-WBVHZDCISA-N 1 3 366.303 2.186 20 0 FEADHO [NH3+]C1(CNCc2cccc3c2OCO3)CCN(Cc2ccccc2)CC1 ZINC000415126446 559206762 /nfs/dbraw/zinc/20/67/62/559206762.db2.gz GQTRXINKTHCMHG-UHFFFAOYSA-N 1 3 353.466 2.498 20 0 FEADHO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)nn1 ZINC000415131384 559206942 /nfs/dbraw/zinc/20/69/42/559206942.db2.gz SDAGJIYIQCJWIU-CQSZACIVSA-N 1 3 355.364 2.473 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC000415137074 559207803 /nfs/dbraw/zinc/20/78/03/559207803.db2.gz DPMREIPGUCJZJP-LJQANCHMSA-N 1 3 359.514 2.441 20 0 FEADHO COCC[N@H+](C)CC[C@@H](NC(=O)C12CCCN1CCC2)c1ccccc1 ZINC000415137074 559207804 /nfs/dbraw/zinc/20/78/04/559207804.db2.gz DPMREIPGUCJZJP-LJQANCHMSA-N 1 3 359.514 2.441 20 0 FEADHO COCC[N@@H+](C)CC[C@@H](NC(=O)C12CCCN1CCC2)c1ccccc1 ZINC000415137074 559207805 /nfs/dbraw/zinc/20/78/05/559207805.db2.gz DPMREIPGUCJZJP-LJQANCHMSA-N 1 3 359.514 2.441 20 0 FEADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415172266 559211756 /nfs/dbraw/zinc/21/17/56/559211756.db2.gz SMQDMZNDNAWYHI-APWZRJJASA-N 1 3 372.513 2.245 20 0 FEADHO Cc1ccc(NC(=O)N[C@H]2CNCCC2(F)F)c(OCC[NH+](C)C)c1 ZINC000415201921 559214315 /nfs/dbraw/zinc/21/43/15/559214315.db2.gz HEANNEFTNMSZJI-HNNXBMFYSA-N 1 3 356.417 2.054 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000527132586 562277535 /nfs/dbraw/zinc/27/75/35/562277535.db2.gz ZIVVCKVXDZHPLY-ZDUSSCGKSA-N 1 3 354.461 2.488 20 0 FEADHO CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415422917 559234538 /nfs/dbraw/zinc/23/45/38/559234538.db2.gz DYNSJQAFKQDUTI-APWZRJJASA-N 1 3 374.529 2.347 20 0 FEADHO CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415422917 559234540 /nfs/dbraw/zinc/23/45/40/559234540.db2.gz DYNSJQAFKQDUTI-APWZRJJASA-N 1 3 374.529 2.347 20 0 FEADHO CC1(CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CC[NH2+]CC1 ZINC000415574448 559251524 /nfs/dbraw/zinc/25/15/24/559251524.db2.gz ROQKBOKDAAKULH-UHFFFAOYSA-N 1 3 372.513 2.117 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000415720692 559265132 /nfs/dbraw/zinc/26/51/32/559265132.db2.gz INABSKPMIWYZJK-NRFANRHFSA-N 1 3 372.513 2.069 20 0 FEADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000416917732 559338240 /nfs/dbraw/zinc/33/82/40/559338240.db2.gz ILGBSBICMHNPFR-VQIMIIECSA-N 1 3 362.518 2.377 20 0 FEADHO CO[C@@H]1CCN(C(=O)NC2CCN(Cc3ccccc3C)CC2)[C@@H](C[NH3+])C1 ZINC000416980402 559341797 /nfs/dbraw/zinc/34/17/97/559341797.db2.gz UBFJGHOOHBILKF-WOJBJXKFSA-N 1 3 374.529 2.107 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000416980667 559341869 /nfs/dbraw/zinc/34/18/69/559341869.db2.gz ZBEXYCAVEPJQFA-RTBURBONSA-N 1 3 374.529 2.158 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCNC(C)(C)C2)cc1 ZINC000416994712 559342687 /nfs/dbraw/zinc/34/26/87/559342687.db2.gz SADBACKMEXASKX-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO CC[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000417007060 559343447 /nfs/dbraw/zinc/34/34/47/559343447.db2.gz GNPIDINTEXARMC-ICSRJNTNSA-N 1 3 356.514 2.359 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCCNCc2cccnc2)C1 ZINC000417023839 559344451 /nfs/dbraw/zinc/34/44/51/559344451.db2.gz LWPLMPJXTQXRCZ-QZTJIDSGSA-N 1 3 361.534 2.229 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000417192081 559352207 /nfs/dbraw/zinc/35/22/07/559352207.db2.gz KALLKGSHNBTRCC-QHAWAJNXSA-N 1 3 366.509 2.296 20 0 FEADHO O=C(NCC[C@H]1CC[NH2+]C1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417369538 559359665 /nfs/dbraw/zinc/35/96/65/559359665.db2.gz RKKDZMYPNZUEBD-CVEARBPZSA-N 1 3 350.532 2.259 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417378195 559360088 /nfs/dbraw/zinc/36/00/88/559360088.db2.gz HCKLNMJYKZUDAO-WMZOPIPTSA-N 1 3 362.543 2.354 20 0 FEADHO CC(C)[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC000417420592 559361454 /nfs/dbraw/zinc/36/14/54/559361454.db2.gz HITVMUIXYJQNDF-HNNXBMFYSA-N 1 3 364.456 2.431 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N[C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000417495931 559364472 /nfs/dbraw/zinc/36/44/72/559364472.db2.gz VQZYNIGCTYUKSH-RBUKOAKNSA-N 1 3 362.518 2.137 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000417518132 559365752 /nfs/dbraw/zinc/36/57/52/559365752.db2.gz RTSDWFUXGZKOEW-NEWSRXKRSA-N 1 3 362.518 2.075 20 0 FEADHO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCCN(C)C)c(OC)c2)C1 ZINC000417658826 559371057 /nfs/dbraw/zinc/37/10/57/559371057.db2.gz XXKVWKRPOMRLAB-HNNXBMFYSA-N 1 3 364.490 2.099 20 0 FEADHO CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCCN(C)C)c(OC)c2)C1 ZINC000417658826 559371058 /nfs/dbraw/zinc/37/10/58/559371058.db2.gz XXKVWKRPOMRLAB-HNNXBMFYSA-N 1 3 364.490 2.099 20 0 FEADHO C[NH2+]CCC1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000417738720 559374767 /nfs/dbraw/zinc/37/47/67/559374767.db2.gz PKJXBHMULWGGCN-UHFFFAOYSA-N 1 3 358.530 2.117 20 0 FEADHO C[NH2+][C@@H]1CCN(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000417823878 559377793 /nfs/dbraw/zinc/37/77/93/559377793.db2.gz LDDBQRROKKMJIM-LJQANCHMSA-N 1 3 374.529 2.061 20 0 FEADHO CO[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)[C@@H](C[NH3+])C1 ZINC000417826489 559377903 /nfs/dbraw/zinc/37/79/03/559377903.db2.gz OPHYYGBIXGWECC-VBSBHUPXSA-N 1 3 374.529 2.045 20 0 FEADHO [NH3+][C@@H](CNC(=O)NCCCOC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000417825294 559377959 /nfs/dbraw/zinc/37/79/59/559377959.db2.gz MYQRNRSXANZLIT-FQEVSTJZSA-N 1 3 374.529 2.094 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417829433 559378142 /nfs/dbraw/zinc/37/81/42/559378142.db2.gz RBCNLKCXVDOTTR-YFVAEKQCSA-N 1 3 356.514 2.292 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417830113 559378199 /nfs/dbraw/zinc/37/81/99/559378199.db2.gz RNDJFXFCYRYFHD-LMCOJAPRSA-N 1 3 356.514 2.290 20 0 FEADHO [NH3+]C[C@@H]1CCN(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000417833230 559378339 /nfs/dbraw/zinc/37/83/39/559378339.db2.gz UKJBJSJIGNBZBS-IBGZPJMESA-N 1 3 374.529 2.048 20 0 FEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417985090 559385163 /nfs/dbraw/zinc/38/51/63/559385163.db2.gz PIKAAGGRRWRJED-QGZVFWFLSA-N 1 3 362.518 2.046 20 0 FEADHO O=C(NCCc1ccc(OCCN2CCCC2)cc1)NCC[C@H]1CCC[NH2+]1 ZINC000417990381 559385514 /nfs/dbraw/zinc/38/55/14/559385514.db2.gz RFVKVEIUENIMOY-LJQANCHMSA-N 1 3 374.529 2.145 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418013213 559386610 /nfs/dbraw/zinc/38/66/10/559386610.db2.gz MUJLGXCREAKBJY-IEBWSBKVSA-N 1 3 356.514 2.292 20 0 FEADHO CCCN(C)[C@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418184348 559393389 /nfs/dbraw/zinc/39/33/89/559393389.db2.gz PTZZEQUSYOPIDL-IAGOWNOFSA-N 1 3 368.909 2.092 20 0 FEADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000418253533 559395558 /nfs/dbraw/zinc/39/55/58/559395558.db2.gz YYDBOSDZLVVNFN-HXUWFJFHSA-N 1 3 356.514 2.436 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418322037 559397312 /nfs/dbraw/zinc/39/73/12/559397312.db2.gz SKYHGVMFQVIPIP-OALUTQOASA-N 1 3 359.518 2.077 20 0 FEADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418538399 559405433 /nfs/dbraw/zinc/40/54/33/559405433.db2.gz KWCNJEHPDNLLFL-FQEVSTJZSA-N 1 3 356.514 2.460 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418547000 559405625 /nfs/dbraw/zinc/40/56/25/559405625.db2.gz INDYOSJVUGXHMU-RTBURBONSA-N 1 3 359.518 2.220 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418553210 559405913 /nfs/dbraw/zinc/40/59/13/559405913.db2.gz CGTDOUWHWJCTNC-DYVFJYSZSA-N 1 3 354.445 2.036 20 0 FEADHO CCN1CCCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000418558448 559406227 /nfs/dbraw/zinc/40/62/27/559406227.db2.gz BSGYEELBFTYQKH-QAPCUYQASA-N 1 3 366.456 2.148 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC[NH2+]1 ZINC000418612758 559407901 /nfs/dbraw/zinc/40/79/01/559407901.db2.gz VYGUJUSWSQTCOO-CJNGLKHVSA-N 1 3 354.445 2.179 20 0 FEADHO COC[C@@]1(CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000418655066 559409849 /nfs/dbraw/zinc/40/98/49/559409849.db2.gz MSXVCZHABIECLR-AEFFLSMTSA-N 1 3 368.909 2.011 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000418733621 559412959 /nfs/dbraw/zinc/41/29/59/559412959.db2.gz VFTFJTOYTKQGJM-AEFFLSMTSA-N 1 3 362.518 2.286 20 0 FEADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H]1CNCCC1(F)F ZINC000418750278 559414022 /nfs/dbraw/zinc/41/40/22/559414022.db2.gz DGBLVVIEWXDRTC-LBPRGKRZSA-N 1 3 374.398 2.289 20 0 FEADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000419173821 559431218 /nfs/dbraw/zinc/43/12/18/559431218.db2.gz UOODNSGZFXREOJ-QFBILLFUSA-N 1 3 374.529 2.093 20 0 FEADHO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC3(N(C)C)CC3)cc2)CC1 ZINC000419795212 559459581 /nfs/dbraw/zinc/45/95/81/559459581.db2.gz JCQOBAQYTOBMPD-UHFFFAOYSA-N 1 3 372.513 2.067 20 0 FEADHO CCOCc1ccccc1CNC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333944 559481465 /nfs/dbraw/zinc/48/14/65/559481465.db2.gz TYLAOBKOUHKZQV-RTBURBONSA-N 1 3 359.514 2.161 20 0 FEADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000420343739 559482229 /nfs/dbraw/zinc/48/22/29/559482229.db2.gz REAANSRWSUERMB-DLBZAZTESA-N 1 3 358.486 2.273 20 0 FEADHO COc1cc(NC(=O)CCN[C@@H]2CC[NH2+]CC2(C)C)cc(OC)c1OC ZINC000420354462 559482702 /nfs/dbraw/zinc/48/27/02/559482702.db2.gz DDDUDSFAOHHIJN-MRXNPFEDSA-N 1 3 365.474 2.019 20 0 FEADHO COc1cc(NC(=O)CC[NH2+][C@@H]2CCNCC2(C)C)cc(OC)c1OC ZINC000420354462 559482703 /nfs/dbraw/zinc/48/27/03/559482703.db2.gz DDDUDSFAOHHIJN-MRXNPFEDSA-N 1 3 365.474 2.019 20 0 FEADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000420847668 559507490 /nfs/dbraw/zinc/50/74/90/559507490.db2.gz WOZDQCNRCYINKI-WOJBJXKFSA-N 1 3 374.529 2.013 20 0 FEADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000420847668 559507491 /nfs/dbraw/zinc/50/74/91/559507491.db2.gz WOZDQCNRCYINKI-WOJBJXKFSA-N 1 3 374.529 2.013 20 0 FEADHO CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420973415 559515661 /nfs/dbraw/zinc/51/56/61/559515661.db2.gz CIYMLDUBBLIGFE-QZTJIDSGSA-N 1 3 352.567 2.172 20 0 FEADHO CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420973415 559515662 /nfs/dbraw/zinc/51/56/62/559515662.db2.gz CIYMLDUBBLIGFE-QZTJIDSGSA-N 1 3 352.567 2.172 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)NC3CCC(C)CC3)CC2)CC1 ZINC000420987100 559517895 /nfs/dbraw/zinc/51/78/95/559517895.db2.gz ZWXBMRGAKMARGW-UHFFFAOYSA-N 1 3 364.578 2.173 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)NC3CCC(C)CC3)CC2)CC1 ZINC000420987100 559517896 /nfs/dbraw/zinc/51/78/96/559517896.db2.gz ZWXBMRGAKMARGW-UHFFFAOYSA-N 1 3 364.578 2.173 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000421292841 559536328 /nfs/dbraw/zinc/53/63/28/559536328.db2.gz CCXQHYGKCVAPLV-SFHVURJKSA-N 1 3 360.502 2.020 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3ccc4c(c3)oc(=O)n4C)CC2)CC1 ZINC000421369838 559540245 /nfs/dbraw/zinc/54/02/45/559540245.db2.gz HZZHUWMDPQFCRA-UHFFFAOYSA-N 1 3 372.513 2.124 20 0 FEADHO C[NH+](C)C1CCC(NC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000422009919 559560334 /nfs/dbraw/zinc/56/03/34/559560334.db2.gz RXKNFSKDJRFUND-UHFFFAOYSA-N 1 3 358.530 2.188 20 0 FEADHO CC[C@@H](C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1)N(CC)CC ZINC000422018022 559560970 /nfs/dbraw/zinc/56/09/70/559560970.db2.gz JRAYKZBCMUDEME-IBGZPJMESA-N 1 3 352.567 2.125 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422700760 559603367 /nfs/dbraw/zinc/60/33/67/559603367.db2.gz AOODPZPYESPMTD-JSQNDZKTSA-N 1 3 368.319 2.370 20 0 FEADHO CC(C)CN1CCO[C@H](CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422755333 559605589 /nfs/dbraw/zinc/60/55/89/559605589.db2.gz BFGACWGHRZYAKU-YFVAEKQCSA-N 1 3 359.514 2.189 20 0 FEADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000422755399 559605637 /nfs/dbraw/zinc/60/56/37/559605637.db2.gz BMZIJTKEHSGNOQ-OFNKIYASSA-N 1 3 366.553 2.352 20 0 FEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCN1CCN(Cc2ccccc2)CC1 ZINC000422755399 559605638 /nfs/dbraw/zinc/60/56/38/559605638.db2.gz BMZIJTKEHSGNOQ-OFNKIYASSA-N 1 3 366.553 2.352 20 0 FEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000422774192 559606210 /nfs/dbraw/zinc/60/62/10/559606210.db2.gz WBBNCKXDLUUILK-SFHVURJKSA-N 1 3 367.541 2.317 20 0 FEADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)C[C@@H]3COCCN3)CC2)cc1 ZINC000422779081 559606362 /nfs/dbraw/zinc/60/63/62/559606362.db2.gz ILGZLIIHVYCYAM-YLJYHZDGSA-N 1 3 361.530 2.264 20 0 FEADHO OC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422797910 559606742 /nfs/dbraw/zinc/60/67/42/559606742.db2.gz OZYWBXBGOCXXIJ-LLBUTXAOSA-N 1 3 370.896 2.377 20 0 FEADHO OC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Cc1c(F)cccc1Cl ZINC000422797909 559606810 /nfs/dbraw/zinc/60/68/10/559606810.db2.gz OZYWBXBGOCXXIJ-KNEBKQPDSA-N 1 3 370.896 2.377 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2cc(OC)ccc2OC)CC[NH2+]CC1 ZINC000422807133 559607106 /nfs/dbraw/zinc/60/71/06/559607106.db2.gz OKUJHNJTYCPYST-AWEZNQCLSA-N 1 3 350.459 2.115 20 0 FEADHO Fc1ccc(N2CCN(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422814384 559607151 /nfs/dbraw/zinc/60/71/51/559607151.db2.gz UOSZAWXYJZVQOH-HBMCJLEFSA-N 1 3 360.521 2.458 20 0 FEADHO O=C(CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000422844965 559608334 /nfs/dbraw/zinc/60/83/34/559608334.db2.gz NHWRAXWWURTQOO-NJYVYQBISA-N 1 3 370.541 2.236 20 0 FEADHO CCN1CCN(CCCN[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422855527 559608673 /nfs/dbraw/zinc/60/86/73/559608673.db2.gz FAAKKZKHEIVXNT-SFTDATJTSA-N 1 3 360.546 2.106 20 0 FEADHO CN(C)CCNC(=O)c1ccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422914808 559611125 /nfs/dbraw/zinc/61/11/25/559611125.db2.gz WBOPLBYNWQNYGY-WOJBJXKFSA-N 1 3 352.482 2.212 20 0 FEADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000422939239 559612224 /nfs/dbraw/zinc/61/22/24/559612224.db2.gz LMGGYWURMKZOIR-MSOLQXFVSA-N 1 3 351.516 2.221 20 0 FEADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000423010014 559615003 /nfs/dbraw/zinc/61/50/03/559615003.db2.gz FMWYISCSHPRVRT-ZIAGYGMSSA-N 1 3 357.495 2.084 20 0 FEADHO C[C@@H]([NH3+])C[C@@H](C)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000423010014 559615004 /nfs/dbraw/zinc/61/50/04/559615004.db2.gz FMWYISCSHPRVRT-ZIAGYGMSSA-N 1 3 357.495 2.084 20 0 FEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000423027453 559615659 /nfs/dbraw/zinc/61/56/59/559615659.db2.gz PADPVWCVSIPTDI-GIVPXCGWSA-N 1 3 374.573 2.176 20 0 FEADHO CCCOc1c(OC)cc(CCN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1OC ZINC000423158110 559621322 /nfs/dbraw/zinc/62/13/22/559621322.db2.gz WGUREWRYQVCEHH-HYVNUMGLSA-N 1 3 366.502 2.377 20 0 FEADHO CCCOc1c(OC)cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)cc1OC ZINC000423158110 559621323 /nfs/dbraw/zinc/62/13/23/559621323.db2.gz WGUREWRYQVCEHH-HYVNUMGLSA-N 1 3 366.502 2.377 20 0 FEADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423201053 559622669 /nfs/dbraw/zinc/62/26/69/559622669.db2.gz HDXXUCBOEQJMHQ-SJLPKXTDSA-N 1 3 365.493 2.329 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)N(C)C)cc1 ZINC000423344560 559626163 /nfs/dbraw/zinc/62/61/63/559626163.db2.gz NBTLPZALAKZGGI-RBUKOAKNSA-N 1 3 355.486 2.149 20 0 FEADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423391383 559627660 /nfs/dbraw/zinc/62/76/60/559627660.db2.gz PIGLSDRXHFLCSF-APWZRJJASA-N 1 3 361.530 2.264 20 0 FEADHO CC(=O)Nc1ccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423393896 559627662 /nfs/dbraw/zinc/62/76/62/559627662.db2.gz ROKHSTZNJABNAX-BLLLJJGKSA-N 1 3 358.408 2.132 20 0 FEADHO CC(C)CO[C@@H]1C[C@@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1(C)C ZINC000423397252 559627751 /nfs/dbraw/zinc/62/77/51/559627751.db2.gz UNHTVOAUANGFEE-QLFBSQMISA-N 1 3 351.457 2.252 20 0 FEADHO C[C@@H](CCc1ccc(I)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423436434 559629190 /nfs/dbraw/zinc/62/91/90/559629190.db2.gz PPJRZXHGXKQTBX-BSLXNSKLSA-N 1 3 356.251 2.420 20 0 FEADHO C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000423410270 559628165 /nfs/dbraw/zinc/62/81/65/559628165.db2.gz RQYFTOVVSYPIMX-NVXWUHKLSA-N 1 3 355.486 2.127 20 0 FEADHO CC(C)[C@@H](C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H](C)[NH3+] ZINC000423439339 559629116 /nfs/dbraw/zinc/62/91/16/559629116.db2.gz WIDUJDREOOAZHJ-SFNKJDCFSA-N 1 3 353.551 2.344 20 0 FEADHO O=C(C[C@H]1CSCC[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000423741178 559637812 /nfs/dbraw/zinc/63/78/12/559637812.db2.gz HDKMOYDNDOLWPR-IBGZPJMESA-N 1 3 361.555 2.249 20 0 FEADHO CC(C)[C@H](C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)N1CCCCC1 ZINC000424008441 559650650 /nfs/dbraw/zinc/65/06/50/559650650.db2.gz WYAIACDNMBLGFB-IPMKNSEASA-N 1 3 351.535 2.242 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CN1Cc1ccccc1 ZINC000425706131 559715417 /nfs/dbraw/zinc/71/54/17/559715417.db2.gz UMJZUDBZQFTYAS-IJXRJRJASA-N 1 3 356.514 2.385 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CN1Cc1ccccc1 ZINC000425706131 559715418 /nfs/dbraw/zinc/71/54/18/559715418.db2.gz UMJZUDBZQFTYAS-IJXRJRJASA-N 1 3 356.514 2.385 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000425932924 559725542 /nfs/dbraw/zinc/72/55/42/559725542.db2.gz SHFZPFCTUSAZKB-AOCRQIFASA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC[C@H]1OC ZINC000426724381 559740980 /nfs/dbraw/zinc/74/09/80/559740980.db2.gz RVYOAZXAPSFGAS-KZNAEPCWSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC[C@H]1OC ZINC000426724381 559740981 /nfs/dbraw/zinc/74/09/81/559740981.db2.gz RVYOAZXAPSFGAS-KZNAEPCWSA-N 1 3 354.539 2.002 20 0 FEADHO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCN1C1CC1 ZINC000427072798 559747081 /nfs/dbraw/zinc/74/70/81/559747081.db2.gz GAIMMWJHKAYIBT-NRFANRHFSA-N 1 3 371.525 2.447 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCC[N@@H+]1C ZINC000428962244 559786912 /nfs/dbraw/zinc/78/69/12/559786912.db2.gz BKZWMGIZGWOSBB-RLLQIKCJSA-N 1 3 374.529 2.059 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCC[N@H+]1C ZINC000428962244 559786913 /nfs/dbraw/zinc/78/69/13/559786913.db2.gz BKZWMGIZGWOSBB-RLLQIKCJSA-N 1 3 374.529 2.059 20 0 FEADHO CCC1(CC)[C@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)[C@@H](C)[C@H]1OC ZINC000429322217 559796018 /nfs/dbraw/zinc/79/60/18/559796018.db2.gz JDHJLSDAPVRYBW-NIKGAXFTSA-N 1 3 351.535 2.159 20 0 FEADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430591750 559823930 /nfs/dbraw/zinc/82/39/30/559823930.db2.gz BPBHQUGUTYHRNO-GOSISDBHSA-N 1 3 360.502 2.447 20 0 FEADHO COCC[C@@]1(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)CC[NH2+]C1 ZINC000430700454 559826671 /nfs/dbraw/zinc/82/66/71/559826671.db2.gz BPZLDFAMMHJOTB-IRLDBZIGSA-N 1 3 373.541 2.202 20 0 FEADHO COCC[C@@]1(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)CC[NH2+]C1 ZINC000430700456 559826764 /nfs/dbraw/zinc/82/67/64/559826764.db2.gz BPZLDFAMMHJOTB-UNMCSNQZSA-N 1 3 373.541 2.202 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)cc2)CC1 ZINC000430711222 559826971 /nfs/dbraw/zinc/82/69/71/559826971.db2.gz DORLNFOEGPSANZ-IBGZPJMESA-N 1 3 358.530 2.337 20 0 FEADHO COCC[C@@]1(C(=O)NCc2ccccc2CN2CCCCC2)CC[NH2+]C1 ZINC000430847204 559829165 /nfs/dbraw/zinc/82/91/65/559829165.db2.gz KXVXDOLWUXWWLP-NRFANRHFSA-N 1 3 359.514 2.305 20 0 FEADHO C[C@H](CC(=O)NCCc1ccc(OCCN(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000430913087 559830083 /nfs/dbraw/zinc/83/00/83/559830083.db2.gz RJXVVKQECAKDOS-MJGOQNOKSA-N 1 3 361.530 2.312 20 0 FEADHO c1[nH]nc(-c2ccc3c(c2)OCCO3)c1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430916120 559830211 /nfs/dbraw/zinc/83/02/11/559830211.db2.gz UCSSFGNJERTFKZ-UHFFFAOYSA-N 1 3 354.454 2.423 20 0 FEADHO C[NH2+]CC1CCN([C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000430931926 559830751 /nfs/dbraw/zinc/83/07/51/559830751.db2.gz XRUACFWMALVQNR-OAHLLOKOSA-N 1 3 367.921 2.497 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC([C@@H](C)[NH3+])CC2)cc1F ZINC000430936219 559830926 /nfs/dbraw/zinc/83/09/26/559830926.db2.gz SYOFCJHMXNJIHP-ZIAGYGMSSA-N 1 3 351.466 2.240 20 0 FEADHO C[C@@H](CNC(=O)NCCCN1CCCO[C@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000433283465 559875730 /nfs/dbraw/zinc/87/57/30/559875730.db2.gz CEMGTOGXPZGAQF-FGTMMUONSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H](CNC(=O)NCCCN1CCCO[C@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000433283465 559875731 /nfs/dbraw/zinc/87/57/31/559875731.db2.gz CEMGTOGXPZGAQF-FGTMMUONSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NCC[N@H+](C)C2CCCCC2)CCCO1 ZINC000433321143 559876875 /nfs/dbraw/zinc/87/68/75/559876875.db2.gz NCIWBSXXUDHMMX-QGZVFWFLSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NCC[N@@H+](C)C2CCCCC2)CCCO1 ZINC000433321143 559876876 /nfs/dbraw/zinc/87/68/76/559876876.db2.gz NCIWBSXXUDHMMX-QGZVFWFLSA-N 1 3 354.539 2.051 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433407557 559880274 /nfs/dbraw/zinc/88/02/74/559880274.db2.gz XYBYVDKVSQBHNQ-OALUTQOASA-N 1 3 368.566 2.297 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433407557 559880275 /nfs/dbraw/zinc/88/02/75/559880275.db2.gz XYBYVDKVSQBHNQ-OALUTQOASA-N 1 3 368.566 2.297 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000433878004 559889472 /nfs/dbraw/zinc/88/94/72/559889472.db2.gz OHBPAIYSNISLFX-GOSISDBHSA-N 1 3 365.543 2.101 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000433878004 559889473 /nfs/dbraw/zinc/88/94/73/559889473.db2.gz OHBPAIYSNISLFX-GOSISDBHSA-N 1 3 365.543 2.101 20 0 FEADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCCCN2C2CC2)Cc2ccccc2C1 ZINC000433905606 559890126 /nfs/dbraw/zinc/89/01/26/559890126.db2.gz XNSJFYAILHKBJS-HXUWFJFHSA-N 1 3 370.541 2.402 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)cc1F ZINC000443057579 560068143 /nfs/dbraw/zinc/06/81/43/560068143.db2.gz HDKGQUKKOKEPLZ-HUUCEWRRSA-N 1 3 351.466 2.242 20 0 FEADHO COc1cc(C)c([C@H](C)NC(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000443074380 560069408 /nfs/dbraw/zinc/06/94/08/560069408.db2.gz QRLFBFOZGGRYQG-HOTGVXAUSA-N 1 3 363.502 2.250 20 0 FEADHO O=C(NCCNc1ccncc1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000443550494 560086937 /nfs/dbraw/zinc/08/69/37/560086937.db2.gz OQFQPCHHMORHSJ-DENIHFKCSA-N 1 3 364.493 2.334 20 0 FEADHO O=C(NCCNc1ccncc1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000443550494 560086938 /nfs/dbraw/zinc/08/69/38/560086938.db2.gz OQFQPCHHMORHSJ-DENIHFKCSA-N 1 3 364.493 2.334 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000446040689 560138477 /nfs/dbraw/zinc/13/84/77/560138477.db2.gz CGWBIVOBGZXULG-SFHVURJKSA-N 1 3 374.529 2.062 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000446040689 560138478 /nfs/dbraw/zinc/13/84/78/560138478.db2.gz CGWBIVOBGZXULG-SFHVURJKSA-N 1 3 374.529 2.062 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000446259952 560142774 /nfs/dbraw/zinc/14/27/74/560142774.db2.gz HVKBPGDGWPFKLI-IVPXXNPKSA-N 1 3 365.562 2.393 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000446259952 560142775 /nfs/dbraw/zinc/14/27/75/560142775.db2.gz HVKBPGDGWPFKLI-IVPXXNPKSA-N 1 3 365.562 2.393 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446364855 560144884 /nfs/dbraw/zinc/14/48/84/560144884.db2.gz VBAFXHSSJJPTLO-LVCYWYKZSA-N 1 3 365.562 2.393 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000446568341 560147557 /nfs/dbraw/zinc/14/75/57/560147557.db2.gz CCVIDBBWKCUDBG-UHFFFAOYSA-N 1 3 362.518 2.101 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000446568341 560147558 /nfs/dbraw/zinc/14/75/58/560147558.db2.gz CCVIDBBWKCUDBG-UHFFFAOYSA-N 1 3 362.518 2.101 20 0 FEADHO COc1ccc([C@H](CCn2cncn2)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000446750448 560151130 /nfs/dbraw/zinc/15/11/30/560151130.db2.gz GRHSNNOBIACLID-JXFKEZNVSA-N 1 3 355.486 2.492 20 0 FEADHO COc1ccc([C@H](CCn2cncn2)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000446750448 560151131 /nfs/dbraw/zinc/15/11/31/560151131.db2.gz GRHSNNOBIACLID-JXFKEZNVSA-N 1 3 355.486 2.492 20 0 FEADHO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000451257263 560296231 /nfs/dbraw/zinc/29/62/31/560296231.db2.gz PYOGPVUARKDDHG-SFTDATJTSA-N 1 3 373.541 2.122 20 0 FEADHO CC[C@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000451257263 560296232 /nfs/dbraw/zinc/29/62/32/560296232.db2.gz PYOGPVUARKDDHG-SFTDATJTSA-N 1 3 373.541 2.122 20 0 FEADHO C[C@H](NC1CC(C)(F)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000453238988 560384626 /nfs/dbraw/zinc/38/46/26/560384626.db2.gz PFEOMSGZEYMXPX-NXVRBGIVSA-N 1 3 371.522 2.458 20 0 FEADHO OC1CCN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453358155 560385763 /nfs/dbraw/zinc/38/57/63/560385763.db2.gz JYHRIEYJYWKYSZ-VSKRKVRLSA-N 1 3 357.542 2.476 20 0 FEADHO OC1CCN(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453358155 560385764 /nfs/dbraw/zinc/38/57/64/560385764.db2.gz JYHRIEYJYWKYSZ-VSKRKVRLSA-N 1 3 357.542 2.476 20 0 FEADHO OC1CCN(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453358155 560385765 /nfs/dbraw/zinc/38/57/65/560385765.db2.gz JYHRIEYJYWKYSZ-VSKRKVRLSA-N 1 3 357.542 2.476 20 0 FEADHO C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453618607 560391442 /nfs/dbraw/zinc/39/14/42/560391442.db2.gz ZRSQIAYDYDZFPS-DNVCBOLYSA-N 1 3 372.513 2.165 20 0 FEADHO CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)c1ccco1 ZINC000455652207 560490705 /nfs/dbraw/zinc/49/07/05/560490705.db2.gz YNALBMYSYMMFHS-CABCVRRESA-N 1 3 362.478 2.289 20 0 FEADHO CN(C)C1(CNC(=O)NC(C)(C)C[NH+]2CCCC2)Cc2ccccc2C1 ZINC000458438711 560623318 /nfs/dbraw/zinc/62/33/18/560623318.db2.gz TXGHZDOMUYXBSU-UHFFFAOYSA-N 1 3 358.530 2.259 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1scnc1C ZINC000458966899 560659210 /nfs/dbraw/zinc/65/92/10/560659210.db2.gz VJPQZAXQRCAFPV-MRXNPFEDSA-N 1 3 367.563 2.052 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1scnc1C ZINC000458966899 560659207 /nfs/dbraw/zinc/65/92/07/560659207.db2.gz VJPQZAXQRCAFPV-MRXNPFEDSA-N 1 3 367.563 2.052 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000459043028 560663523 /nfs/dbraw/zinc/66/35/23/560663523.db2.gz CUEKMBXXNUQOMH-RGPMPMONSA-N 1 3 360.502 2.222 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000459043028 560663524 /nfs/dbraw/zinc/66/35/24/560663524.db2.gz CUEKMBXXNUQOMH-RGPMPMONSA-N 1 3 360.502 2.222 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000461885025 560786481 /nfs/dbraw/zinc/78/64/81/560786481.db2.gz RQAVMCARORAXFR-RTBURBONSA-N 1 3 372.557 2.313 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000465541702 560867717 /nfs/dbraw/zinc/86/77/17/560867717.db2.gz JLTWRTDBTAWRMP-NHCUHLMSSA-N 1 3 368.525 2.479 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000465541702 560867718 /nfs/dbraw/zinc/86/77/18/560867718.db2.gz JLTWRTDBTAWRMP-NHCUHLMSSA-N 1 3 368.525 2.479 20 0 FEADHO CN(C)C1(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000465620654 560870077 /nfs/dbraw/zinc/87/00/77/560870077.db2.gz CVTPIRQRPXARBQ-MOPGFXCFSA-N 1 3 356.514 2.012 20 0 FEADHO CN(C)C1(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000465620654 560870078 /nfs/dbraw/zinc/87/00/78/560870078.db2.gz CVTPIRQRPXARBQ-MOPGFXCFSA-N 1 3 356.514 2.012 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000466049257 560879332 /nfs/dbraw/zinc/87/93/32/560879332.db2.gz KLMBVHGNWQWOTB-QAPCUYQASA-N 1 3 350.482 2.382 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2cccc(F)c2)CC[N@H+]1C ZINC000466049257 560879333 /nfs/dbraw/zinc/87/93/33/560879333.db2.gz KLMBVHGNWQWOTB-QAPCUYQASA-N 1 3 350.482 2.382 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cn3c(n2)SCC3)[C@@H](C)C1 ZINC000468046683 560921553 /nfs/dbraw/zinc/92/15/53/560921553.db2.gz FAUQYMSZTQEBRG-DOTOQJQBSA-N 1 3 352.548 2.258 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cn3c(n2)SCC3)[C@@H](C)C1 ZINC000468046683 560921554 /nfs/dbraw/zinc/92/15/54/560921554.db2.gz FAUQYMSZTQEBRG-DOTOQJQBSA-N 1 3 352.548 2.258 20 0 FEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000468176626 560924151 /nfs/dbraw/zinc/92/41/51/560924151.db2.gz FATOGBOSYKMIOJ-HLIPFELVSA-N 1 3 359.514 2.132 20 0 FEADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000468176626 560924152 /nfs/dbraw/zinc/92/41/52/560924152.db2.gz FATOGBOSYKMIOJ-HLIPFELVSA-N 1 3 359.514 2.132 20 0 FEADHO CC[C@H](C)[N@H+](C)CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000469411667 560954546 /nfs/dbraw/zinc/95/45/46/560954546.db2.gz ILSRNJQYZOTJNK-IBGZPJMESA-N 1 3 360.546 2.354 20 0 FEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000469411667 560954547 /nfs/dbraw/zinc/95/45/47/560954547.db2.gz ILSRNJQYZOTJNK-IBGZPJMESA-N 1 3 360.546 2.354 20 0 FEADHO Cc1nc(COc2ccc(CN3CCC(OCCC[NH3+])CC3)cc2)no1 ZINC000469868298 560967384 /nfs/dbraw/zinc/96/73/84/560967384.db2.gz ZTUJAKYWSMFREV-UHFFFAOYSA-N 1 3 360.458 2.287 20 0 FEADHO C[C@H]1CN(CCCCNC(=O)CC[N@@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000471356263 561002802 /nfs/dbraw/zinc/00/28/02/561002802.db2.gz ZGWDZUWBNUZYKX-OALUTQOASA-N 1 3 373.541 2.440 20 0 FEADHO C[C@H]1CN(CCCCNC(=O)CC[N@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000471356263 561002803 /nfs/dbraw/zinc/00/28/03/561002803.db2.gz ZGWDZUWBNUZYKX-OALUTQOASA-N 1 3 373.541 2.440 20 0 FEADHO CN(C)CCOCCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000471654000 561009773 /nfs/dbraw/zinc/00/97/73/561009773.db2.gz CGKXDOXMXOZNFA-UHFFFAOYSA-N 1 3 362.518 2.050 20 0 FEADHO C[C@@H](O)CCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000475044954 561088596 /nfs/dbraw/zinc/08/85/96/561088596.db2.gz HVFLNKTYXJCLHO-GOSISDBHSA-N 1 3 361.530 2.108 20 0 FEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCN1CCOC ZINC000477105336 561136717 /nfs/dbraw/zinc/13/67/17/561136717.db2.gz BXRARUXYDLOQNJ-ZWKOTPCHSA-N 1 3 354.539 2.051 20 0 FEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCN1CCOC ZINC000477105336 561136718 /nfs/dbraw/zinc/13/67/18/561136718.db2.gz BXRARUXYDLOQNJ-ZWKOTPCHSA-N 1 3 354.539 2.051 20 0 FEADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529306119 562368248 /nfs/dbraw/zinc/36/82/48/562368248.db2.gz ARFYDQUAVHZCAY-MOPGFXCFSA-N 1 3 366.550 2.051 20 0 FEADHO O=C(NC[C@@H]1CCN1C1CCCCC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000529718006 562382624 /nfs/dbraw/zinc/38/26/24/562382624.db2.gz HJLDFEUHQZNQBY-UNMCSNQZSA-N 1 3 371.525 2.147 20 0 FEADHO O=C(NC[C@@H]1CCN1C1CCCCC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000529718006 562382625 /nfs/dbraw/zinc/38/26/25/562382625.db2.gz HJLDFEUHQZNQBY-UNMCSNQZSA-N 1 3 371.525 2.147 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530573295 562416474 /nfs/dbraw/zinc/41/64/74/562416474.db2.gz CXDVDYJUEHVNHA-KNQAVFIVSA-N 1 3 373.541 2.252 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530573295 562416475 /nfs/dbraw/zinc/41/64/75/562416475.db2.gz CXDVDYJUEHVNHA-KNQAVFIVSA-N 1 3 373.541 2.252 20 0 FEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000530809501 562424646 /nfs/dbraw/zinc/42/46/46/562424646.db2.gz HTHBCQMEXNUVJF-RBBKRZOGSA-N 1 3 373.541 2.394 20 0 FEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000530809501 562424647 /nfs/dbraw/zinc/42/46/47/562424647.db2.gz HTHBCQMEXNUVJF-RBBKRZOGSA-N 1 3 373.541 2.394 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc2onc(C(C)(C)C)c2c1 ZINC000530880879 562427108 /nfs/dbraw/zinc/42/71/08/562427108.db2.gz ONOVXTMYEPCLJC-UHFFFAOYSA-N 1 3 361.490 2.086 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Oc2ccccc2)ccn1 ZINC000530880621 562427118 /nfs/dbraw/zinc/42/71/18/562427118.db2.gz FVXBTVTVVYKZNN-UHFFFAOYSA-N 1 3 356.470 2.439 20 0 FEADHO C[C@H]1CN(CCC2CC[NH+](CCCN3CCCC3=O)CC2)C[C@H](C)O1 ZINC000530939697 562429306 /nfs/dbraw/zinc/42/93/06/562429306.db2.gz VGFMPSIDMXDTLJ-ROUUACIJSA-N 1 3 351.535 2.210 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531289294 562440757 /nfs/dbraw/zinc/44/07/57/562440757.db2.gz GCDGFLKXUDCSFL-DENIHFKCSA-N 1 3 373.541 2.394 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531289294 562440758 /nfs/dbraw/zinc/44/07/58/562440758.db2.gz GCDGFLKXUDCSFL-DENIHFKCSA-N 1 3 373.541 2.394 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)OCCCO2 ZINC000531703930 562454331 /nfs/dbraw/zinc/45/43/31/562454331.db2.gz HFMRDMVUFQRMKL-NVXWUHKLSA-N 1 3 361.486 2.086 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CCC(F)(F)CC3)CC2)CC1 ZINC000534181708 562527141 /nfs/dbraw/zinc/52/71/41/562527141.db2.gz ATMNCDYDTYOSOK-UHFFFAOYSA-N 1 3 358.477 2.422 20 0 FEADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000535263413 562554458 /nfs/dbraw/zinc/55/44/58/562554458.db2.gz ZSXYETHDXAIJAU-KRWDZBQOSA-N 1 3 367.497 2.440 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)NCCNc2cc[nH+]cc2)N2CCCC2)cc1 ZINC000535262998 562554526 /nfs/dbraw/zinc/55/45/26/562554526.db2.gz RJBXVKHFRVYOKN-HXUWFJFHSA-N 1 3 367.497 2.360 20 0 FEADHO Cc1ccsc1CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000536943230 562582993 /nfs/dbraw/zinc/58/29/93/562582993.db2.gz JSNNJBGWAZSMSM-UHFFFAOYSA-N 1 3 364.559 2.457 20 0 FEADHO C[C@H](C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)CN1CCCCC1 ZINC000556058779 674386543 /nfs/dbraw/zinc/38/65/43/674386543.db2.gz DBZFBQDEDUMCLL-BEFAXECRSA-N 1 3 365.543 2.423 20 0 FEADHO O=C(NC[C@@H]1CCCN(CCSc2ccc(F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000327117278 568099907 /nfs/dbraw/zinc/09/99/07/568099907.db2.gz IAJJRJPSRYCVJT-MAUKXSAKSA-N 1 3 365.518 2.498 20 0 FEADHO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000636873882 568141404 /nfs/dbraw/zinc/14/14/04/568141404.db2.gz PYOVFRKTBUOEMH-FQEVSTJZSA-N 1 3 358.530 2.479 20 0 FEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000604179881 568219491 /nfs/dbraw/zinc/21/94/91/568219491.db2.gz UJONNWPRSIDTSP-QGZVFWFLSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000604179881 568219492 /nfs/dbraw/zinc/21/94/92/568219492.db2.gz UJONNWPRSIDTSP-QGZVFWFLSA-N 1 3 368.566 2.249 20 0 FEADHO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000604198487 568225029 /nfs/dbraw/zinc/22/50/29/568225029.db2.gz VBNJIPNUNBRFSW-INIZCTEOSA-N 1 3 366.575 2.274 20 0 FEADHO O=C(NCCNc1cc[nH+]cc1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604203634 568227857 /nfs/dbraw/zinc/22/78/57/568227857.db2.gz ADEUSNSIKSZQFE-HXUWFJFHSA-N 1 3 367.497 2.442 20 0 FEADHO O=C(NC[C@H]1CCCC[NH2+]1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000636987763 568280976 /nfs/dbraw/zinc/28/09/76/568280976.db2.gz CSBYWFPKYKSNHI-TZIWHRDSSA-N 1 3 356.514 2.436 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C3CC3)C2)[C@@H](C)C1 ZINC000604666666 568342913 /nfs/dbraw/zinc/34/29/13/568342913.db2.gz XQVVKVVSOANKIM-UHOSZYNNSA-N 1 3 366.550 2.002 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCN(C3CC3)C2)[C@@H](C)C1 ZINC000604666666 568342914 /nfs/dbraw/zinc/34/29/14/568342914.db2.gz XQVVKVVSOANKIM-UHOSZYNNSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N2CCC(C)([NH+]3CCCC3)CC2)CCCO1 ZINC000637087797 568349353 /nfs/dbraw/zinc/34/93/53/568349353.db2.gz SDCQYFJXVWENCP-SFHVURJKSA-N 1 3 366.550 2.147 20 0 FEADHO c1nc2ccc(-c3nnn[n-]3)cn2c1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000738420518 599491668 /nfs/dbraw/zinc/49/16/68/599491668.db2.gz IXAWXHPCKPOJMD-UHFFFAOYSA-N 1 3 368.489 2.260 20 0 FEADHO c1nc2ccc(-c3nn[n-]n3)cn2c1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000738420518 599491670 /nfs/dbraw/zinc/49/16/70/599491670.db2.gz IXAWXHPCKPOJMD-UHFFFAOYSA-N 1 3 368.489 2.260 20 0 FEADHO c1cc(OCCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc(-c2nnn[n-]2)c1 ZINC000823762154 606886196 /nfs/dbraw/zinc/88/61/96/606886196.db2.gz KMKHWTMOQBBNHW-UHFFFAOYSA-N 1 3 370.501 2.443 20 0 FEADHO c1cc(OCCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc(-c2nn[n-]n2)c1 ZINC000823762154 606886198 /nfs/dbraw/zinc/88/61/98/606886198.db2.gz KMKHWTMOQBBNHW-UHFFFAOYSA-N 1 3 370.501 2.443 20 0 FEADHO CC[NH+](CC)CC(C)(C)COC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000813150550 674724369 /nfs/dbraw/zinc/72/43/69/674724369.db2.gz GTEMJTMBINKRMQ-RYUDHWBXSA-N 1 3 352.397 2.355 20 0 FEADHO CCN(CC)c1ncc(CN(C)CCN(C)C2CC[NH+](C)CC2)s1 ZINC000564007124 674963433 /nfs/dbraw/zinc/96/34/33/674963433.db2.gz WBXKCGIJQCZYAF-UHFFFAOYSA-N 1 3 353.580 2.447 20 0 FEADHO CNc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc(Cl)n1 ZINC000111589053 670859399 /nfs/dbraw/zinc/85/93/99/670859399.db2.gz FMJAUAUAWLBOQF-UHFFFAOYSA-N 1 3 365.909 2.065 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)C(F)(F)F)CC2)CC1 ZINC000573626981 671144738 /nfs/dbraw/zinc/14/47/38/671144738.db2.gz HVKZQUCXMXDYTB-UHFFFAOYSA-N 1 3 364.456 2.433 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[NH2+]1 ZINC000574142266 671207102 /nfs/dbraw/zinc/20/71/02/671207102.db2.gz XBGGQNGWVVLCMG-WSYDAFBYSA-N 1 3 362.440 2.231 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](Oc3ccccc3Cl)C2)C1 ZINC000574739300 671273334 /nfs/dbraw/zinc/27/33/34/671273334.db2.gz GREINAGTCVWAAU-CVEARBPZSA-N 1 3 365.905 2.381 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](Oc3ccccc3Cl)C2)C1 ZINC000574739300 671273339 /nfs/dbraw/zinc/27/33/39/671273339.db2.gz GREINAGTCVWAAU-CVEARBPZSA-N 1 3 365.905 2.381 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817917912 675186279 /nfs/dbraw/zinc/18/62/79/675186279.db2.gz VKGYYJALQJVCKZ-SMDDNHRTSA-N 1 3 366.405 2.076 20 0 FEADHO CC[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)CCO2 ZINC000817973798 675188690 /nfs/dbraw/zinc/18/86/90/675188690.db2.gz WRLGLOVTJLYTGI-DOTOQJQBSA-N 1 3 357.420 2.498 20 0 FEADHO NC(=O)c1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000575063274 671296405 /nfs/dbraw/zinc/29/64/05/671296405.db2.gz PIHGARMLXWKULP-IYBDPMFKSA-N 1 3 356.495 2.340 20 0 FEADHO CN1CCN([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c2cccs2)CC1 ZINC000577049349 671413062 /nfs/dbraw/zinc/41/30/62/671413062.db2.gz SUUDPEZAMTUBED-WJFTUGDTSA-N 1 3 362.587 2.499 20 0 FEADHO CN1CCN([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c2cccs2)CC1 ZINC000577049349 671413064 /nfs/dbraw/zinc/41/30/64/671413064.db2.gz SUUDPEZAMTUBED-WJFTUGDTSA-N 1 3 362.587 2.499 20 0 FEADHO C[NH+](C)CCNC(=O)C1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000578096896 671640064 /nfs/dbraw/zinc/64/00/64/671640064.db2.gz AFAMIWXZTPMKQQ-UHFFFAOYSA-N 1 3 361.515 2.028 20 0 FEADHO OCCN1CCN(CCCC[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000579896338 671768226 /nfs/dbraw/zinc/76/82/26/671768226.db2.gz LDEZIWGBAGANNQ-UHFFFAOYSA-N 1 3 365.465 2.247 20 0 FEADHO CC(C)[NH+]1CCN(CCCN2CCN(Cc3ccsc3)CC2)CC1 ZINC000583011854 672054946 /nfs/dbraw/zinc/05/49/46/672054946.db2.gz QGZMTXMAWCJPOE-UHFFFAOYSA-N 1 3 350.576 2.282 20 0 FEADHO CCN(CC)[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)c1ccsc1 ZINC000583880871 672135236 /nfs/dbraw/zinc/13/52/36/672135236.db2.gz LRLXGMKDQOLATB-QGZVFWFLSA-N 1 3 363.531 2.319 20 0 FEADHO C[C@H](C(=O)Nc1cccc(Cl)c1)N(C)CCCN(C)CC[NH+](C)C ZINC000584553306 672198965 /nfs/dbraw/zinc/19/89/65/672198965.db2.gz NTDPPXSOQPEBAQ-OAHLLOKOSA-N 1 3 354.926 2.482 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000390003711 673159814 /nfs/dbraw/zinc/15/98/14/673159814.db2.gz VJBRUAWGQUYWPA-UNEWFSDZSA-N 1 3 355.404 2.165 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCN2CCSCC2)CC1 ZINC000537501388 673391522 /nfs/dbraw/zinc/39/15/22/673391522.db2.gz ZOZRVZRCTBSMFZ-UHFFFAOYSA-N 1 3 362.587 2.357 20 0 FEADHO CN1CCC(O)(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000544612852 673721050 /nfs/dbraw/zinc/72/10/50/673721050.db2.gz YBPSGPGYEYVRGL-UHFFFAOYSA-N 1 3 350.356 2.313 20 0 FEADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=S)NC1CCN(C)CC1 ZINC000743038767 673747124 /nfs/dbraw/zinc/74/71/24/673747124.db2.gz ULDOCCQSSRRVEI-GOSISDBHSA-N 1 3 360.571 2.409 20 0 FEADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=S)NC1CCN(C)CC1 ZINC000743038767 673747128 /nfs/dbraw/zinc/74/71/28/673747128.db2.gz ULDOCCQSSRRVEI-GOSISDBHSA-N 1 3 360.571 2.409 20 0 FEADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(I)cc1 ZINC000600711411 673793523 /nfs/dbraw/zinc/79/35/23/673793523.db2.gz TURLXNSZWQKPFG-NSHDSACASA-N 1 3 360.239 2.450 20 0 FEADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000566551443 675223428 /nfs/dbraw/zinc/22/34/28/675223428.db2.gz BSRSARHVJZSCAO-VYESFELBSA-N 1 3 362.440 2.089 20 0 FEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000567499446 675298447 /nfs/dbraw/zinc/29/84/47/675298447.db2.gz ZWZOWMDLHUZNRL-YWBBTBBSSA-N 1 3 350.429 2.217 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000615629267 676222159 /nfs/dbraw/zinc/22/21/59/676222159.db2.gz VWZVMBFVPHMZHU-UHFFFAOYSA-N 1 3 350.482 2.385 20 0 FEADHO CN(CC1CN(C)C1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000618190059 676324125 /nfs/dbraw/zinc/32/41/25/676324125.db2.gz FPFBPTNZGOZJRW-KRWDZBQOSA-N 1 3 351.441 2.164 20 0 FEADHO CN(CC1CN(C)C1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000618190059 676324127 /nfs/dbraw/zinc/32/41/27/676324127.db2.gz FPFBPTNZGOZJRW-KRWDZBQOSA-N 1 3 351.441 2.164 20 0 FEADHO COC(=O)c1ccc(Cl)c(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000619509052 676382799 /nfs/dbraw/zinc/38/27/99/676382799.db2.gz QZSHGFJYPORGJQ-INIZCTEOSA-N 1 3 365.905 2.385 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCOC3(C)C)CC2)CC1 ZINC000620516054 676420593 /nfs/dbraw/zinc/42/05/93/676420593.db2.gz KCLQHMSFVMTMOH-KRWDZBQOSA-N 1 3 351.535 2.114 20 0 FEADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)CCC[NH+](C)C ZINC000632052369 676973165 /nfs/dbraw/zinc/97/31/65/676973165.db2.gz OBJFZKKXHAFYMB-IBGZPJMESA-N 1 3 367.559 2.112 20 0 FEADHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2cccc3c2CC[NH2+]C3)cc1 ZINC000635010469 677087313 /nfs/dbraw/zinc/08/73/13/677087313.db2.gz LXNFBQWBHWYCJV-CQSZACIVSA-N 1 3 359.495 2.091 20 0 FEADHO COc1cccc(C[C@@H](N)C(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000638285119 677142745 /nfs/dbraw/zinc/14/27/45/677142745.db2.gz UYGNNUHPEXTFFQ-GOSISDBHSA-N 1 3 361.511 2.217 20 0 FEADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(S(N)(=O)=O)cc1 ZINC000638313345 677143331 /nfs/dbraw/zinc/14/33/31/677143331.db2.gz UHNPNBDFIVEPBH-UHFFFAOYSA-N 1 3 361.511 2.466 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644159627 677238705 /nfs/dbraw/zinc/23/87/05/677238705.db2.gz ICCLNMMLALAUDT-RDJZCZTQSA-N 1 3 351.441 2.354 20 0 FEADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647171749 677296797 /nfs/dbraw/zinc/29/67/97/677296797.db2.gz VAVZIQTXJHIOKV-GJZGRUSLSA-N 1 3 371.522 2.321 20 0 FEADHO CC(C)(CNC(=O)[C@H]1C[NH2+]CCC1(F)F)N1CCc2ccccc2C1 ZINC000649292463 677328839 /nfs/dbraw/zinc/32/88/39/677328839.db2.gz IRZILTWDAKPNHK-MRXNPFEDSA-N 1 3 351.441 2.184 20 0 FEADHO CN(C(=O)[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000649300674 677329023 /nfs/dbraw/zinc/32/90/23/677329023.db2.gz IAZJOEUBHJPAJI-IRXDYDNUSA-N 1 3 351.441 2.354 20 0 FEADHO C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CCN1Cc1ccccc1 ZINC000649344695 677329806 /nfs/dbraw/zinc/32/98/06/677329806.db2.gz MOYYHWGPBOZBOW-WBVHZDCISA-N 1 3 351.441 2.354 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345840 677480354 /nfs/dbraw/zinc/48/03/54/677480354.db2.gz NKQCWTXLRXNKNG-BPCAWRKVSA-N 1 3 351.535 2.288 20 0 FEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349279 677481010 /nfs/dbraw/zinc/48/10/10/677481010.db2.gz JBMNSBBCUNQAFX-SFNKJDCFSA-N 1 3 351.535 2.384 20 0 FEADHO CCO[C@@H]1CCC[C@H]1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000655139434 677624896 /nfs/dbraw/zinc/62/48/96/677624896.db2.gz UJAYYEFZXTXVML-RTBURBONSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000655730792 677664279 /nfs/dbraw/zinc/66/42/79/677664279.db2.gz TWFKYCCEZZTBCJ-WSTZPKSXSA-N 1 3 353.551 2.109 20 0 FEADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)N2CCCC2)cc1 ZINC000655913820 677672302 /nfs/dbraw/zinc/67/23/02/677672302.db2.gz JUKOVRUDYQIPKU-GJZGRUSLSA-N 1 3 358.408 2.321 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](F)[C@H](N)C1)Cc1ccccc1 ZINC000659435587 678176994 /nfs/dbraw/zinc/17/69/94/678176994.db2.gz YRCRJHXXPHBZKR-RCCFBDPRSA-N 1 3 350.482 2.020 20 0 FEADHO CC(C)[C@H]([NH3+])CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000659623208 678193257 /nfs/dbraw/zinc/19/32/57/678193257.db2.gz CDPQLYPMTYLDHI-QGZVFWFLSA-N 1 3 356.461 2.411 20 0 FEADHO CCC[N@@H+]1CC[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000661954640 678555311 /nfs/dbraw/zinc/55/53/11/678555311.db2.gz XYCPTMHDYJUGNO-INIZCTEOSA-N 1 3 354.564 2.132 20 0 FEADHO CCC[N@H+]1CC[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000661954640 678555315 /nfs/dbraw/zinc/55/53/15/678555315.db2.gz XYCPTMHDYJUGNO-INIZCTEOSA-N 1 3 354.564 2.132 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000663798445 678791501 /nfs/dbraw/zinc/79/15/01/678791501.db2.gz WYICYDUZVHKLTP-KSSFIOAISA-N 1 3 350.482 2.384 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000663798445 678791505 /nfs/dbraw/zinc/79/15/05/678791505.db2.gz WYICYDUZVHKLTP-KSSFIOAISA-N 1 3 350.482 2.384 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000665640623 678974545 /nfs/dbraw/zinc/97/45/45/678974545.db2.gz ZXZGJQHWQZVWLI-UPMGZUDPSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000665640623 678974546 /nfs/dbraw/zinc/97/45/46/678974546.db2.gz ZXZGJQHWQZVWLI-UPMGZUDPSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@H](CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1nccs1 ZINC000665760443 678982141 /nfs/dbraw/zinc/98/21/41/678982141.db2.gz IXJIQRPORHKZJO-CABCVRRESA-N 1 3 355.552 2.160 20 0 FEADHO C[C@H](CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1nccs1 ZINC000665760443 678982142 /nfs/dbraw/zinc/98/21/42/678982142.db2.gz IXJIQRPORHKZJO-CABCVRRESA-N 1 3 355.552 2.160 20 0 FEADHO C[C@H](C1CC1)n1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000666810677 679046687 /nfs/dbraw/zinc/04/66/87/679046687.db2.gz SYSBSEYTZOAXSR-LSDHHAIUSA-N 1 3 350.511 2.248 20 0 FEADHO C[C@H](C1CC1)n1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000666810677 679046689 /nfs/dbraw/zinc/04/66/89/679046689.db2.gz SYSBSEYTZOAXSR-LSDHHAIUSA-N 1 3 350.511 2.248 20 0 FEADHO Cc1nc(C2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)sc1C ZINC000667046497 679062187 /nfs/dbraw/zinc/06/21/87/679062187.db2.gz PCDLNPSXUSIBTG-OAHLLOKOSA-N 1 3 350.532 2.137 20 0 FEADHO CC[C@@H]1CN(C(=O)NCC2(N3CCSCC3)CCCC2)CC[C@H]1[NH3+] ZINC000669389550 679231849 /nfs/dbraw/zinc/23/18/49/679231849.db2.gz SCVIGKDPHYOJIZ-HZPDHXFCSA-N 1 3 354.564 2.117 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000669573942 679243452 /nfs/dbraw/zinc/24/34/52/679243452.db2.gz POHYHBYKPLVSHJ-LMRVLLHPSA-N 1 3 362.440 2.361 20 0 FEADHO CCNc1ncc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCN2CC)s1 ZINC000676338030 679628526 /nfs/dbraw/zinc/62/85/26/679628526.db2.gz BGHOUWFRYGRSMM-AWEZNQCLSA-N 1 3 353.536 2.063 20 0 FEADHO Cc1ncc(CN2CCC3(C[C@@H]3NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC001016632728 680060090 /nfs/dbraw/zinc/06/00/90/680060090.db2.gz UBFDJXGYWUBMIQ-XYPHTWIQSA-N 1 3 362.543 2.262 20 0 FEADHO Cc1ncc(CN2CCC3(C[C@@H]3NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC001016632728 680060096 /nfs/dbraw/zinc/06/00/96/680060096.db2.gz UBFDJXGYWUBMIQ-XYPHTWIQSA-N 1 3 362.543 2.262 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3ccc(Cl)nc3)C(C)(C)C2)CC[N@@H+]1C ZINC000995824767 680304499 /nfs/dbraw/zinc/30/44/99/680304499.db2.gz KACPHCKIRRNRDN-FVQBIDKESA-N 1 3 364.921 2.402 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3ccc(Cl)nc3)C(C)(C)C2)CC[N@H+]1C ZINC000995824767 680304502 /nfs/dbraw/zinc/30/45/02/680304502.db2.gz KACPHCKIRRNRDN-FVQBIDKESA-N 1 3 364.921 2.402 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)Cc3ccc(Cl)nc3)C2)CC[N@@H+]1C ZINC001029741236 680390441 /nfs/dbraw/zinc/39/04/41/680390441.db2.gz MSGDUTWIRDOCSU-HYVNUMGLSA-N 1 3 364.921 2.356 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)Cc3ccc(Cl)nc3)C2)CC[N@H+]1C ZINC001029741236 680390443 /nfs/dbraw/zinc/39/04/43/680390443.db2.gz MSGDUTWIRDOCSU-HYVNUMGLSA-N 1 3 364.921 2.356 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCN(CCOC3CCC3)C2)CC[N@@H+]1C ZINC001033839723 680426590 /nfs/dbraw/zinc/42/65/90/680426590.db2.gz USPOSRYIMIDIOT-YTQUADARSA-N 1 3 351.535 2.209 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCN(CCOC3CCC3)C2)CC[N@H+]1C ZINC001033839723 680426593 /nfs/dbraw/zinc/42/65/93/680426593.db2.gz USPOSRYIMIDIOT-YTQUADARSA-N 1 3 351.535 2.209 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)Cc3ccc(Cl)nc3)CC2)CC[N@@H+]1C ZINC000985443181 680449047 /nfs/dbraw/zinc/44/90/47/680449047.db2.gz VVKJCRPNIFXCMT-RHSMWYFYSA-N 1 3 364.921 2.498 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)Cc3ccc(Cl)nc3)CC2)CC[N@H+]1C ZINC000985443181 680449050 /nfs/dbraw/zinc/44/90/50/680449050.db2.gz VVKJCRPNIFXCMT-RHSMWYFYSA-N 1 3 364.921 2.498 20 0 FEADHO C[C@@H]1CCC[C@@](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)(N(C)C)C1 ZINC000849111485 681655519 /nfs/dbraw/zinc/65/55/19/681655519.db2.gz PSVHTQFYLLGGDS-RDTXWAMCSA-N 1 3 355.527 2.136 20 0 FEADHO CCC[N@H+](C[C@H](O)CN(C)C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851752260 682120017 /nfs/dbraw/zinc/12/00/17/682120017.db2.gz FHAGDJCLBFPXIW-DLBZAZTESA-N 1 3 357.539 2.409 20 0 FEADHO CCC[N@@H+](C[C@H](O)CN(C)C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851752260 682120019 /nfs/dbraw/zinc/12/00/19/682120019.db2.gz FHAGDJCLBFPXIW-DLBZAZTESA-N 1 3 357.539 2.409 20 0 FEADHO CN(C[C@](C)(O)C[N@@H+]1CCC[C@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000852108194 682220293 /nfs/dbraw/zinc/22/02/93/682220293.db2.gz WVJBNDQKZHJLBO-RBUKOAKNSA-N 1 3 355.523 2.022 20 0 FEADHO CN(C[C@](C)(O)C[N@H+]1CCC[C@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000852108194 682220296 /nfs/dbraw/zinc/22/02/96/682220296.db2.gz WVJBNDQKZHJLBO-RBUKOAKNSA-N 1 3 355.523 2.022 20 0 FEADHO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000788248620 682515125 /nfs/dbraw/zinc/51/51/25/682515125.db2.gz RVAJIJGDVCMFLH-IXDOHACOSA-N 1 3 355.523 2.259 20 0 FEADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccns1 ZINC000858188732 682942414 /nfs/dbraw/zinc/94/24/14/682942414.db2.gz AZLIYFZEFZYFMB-ZDUSSCGKSA-N 1 3 351.520 2.062 20 0 FEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cn(C)nc3C(F)F)C2)[C@H]1C(C)C ZINC000922392129 683713527 /nfs/dbraw/zinc/71/35/27/683713527.db2.gz BNGMOGAAKGCPJR-SZXPJGKVSA-N 1 3 356.461 2.317 20 0 FEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cn(C)nc3C(F)F)C2)[C@H]1C(C)C ZINC000922392129 683713530 /nfs/dbraw/zinc/71/35/30/683713530.db2.gz BNGMOGAAKGCPJR-SZXPJGKVSA-N 1 3 356.461 2.317 20 0 FEADHO CC1([NH+]2CCCC2)CCC(NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000922501788 683736919 /nfs/dbraw/zinc/73/69/19/683736919.db2.gz BEYYTFJCHMRBDL-UHFFFAOYSA-N 1 3 357.545 2.282 20 0 FEADHO COC[C@H](C)OC[C@@H](O)CN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923343863 684267073 /nfs/dbraw/zinc/26/70/73/684267073.db2.gz YEEMMHAJWZXKJI-SZMVWBNQSA-N 1 3 368.543 2.105 20 0 FEADHO Brc1ccc2c(c1)[C@@H](NC[C@@H]1CC3(C[NH2+]C3)CO1)CCO2 ZINC000923432163 684280459 /nfs/dbraw/zinc/28/04/59/684280459.db2.gz JUSUDNLPGXGUPS-JSGCOSHPSA-N 1 3 353.260 2.241 20 0 FEADHO C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452899 684283451 /nfs/dbraw/zinc/28/34/51/684283451.db2.gz JKWWRRFLGZZTIB-HOCLYGCPSA-N 1 3 365.905 2.175 20 0 FEADHO C[NH+](C)CC1(O)CCN(CCCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000931479116 684289551 /nfs/dbraw/zinc/28/95/51/684289551.db2.gz KMBOIMFLDXCFJO-UHFFFAOYSA-N 1 3 355.523 2.165 20 0 FEADHO C[C@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccc(Br)cc1 ZINC000923490097 684290979 /nfs/dbraw/zinc/29/09/79/684290979.db2.gz RNRGLKGLYDMFRQ-QWHCGFSZSA-N 1 3 354.292 2.297 20 0 FEADHO C[C@@H]([NH2+]C1CCN(CC2CCCC2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000924857828 684499507 /nfs/dbraw/zinc/49/95/07/684499507.db2.gz WUSLNJLEAQGATK-MRXNPFEDSA-N 1 3 371.591 2.291 20 0 FEADHO CC(C)(C)OC(=O)N1[C@@H](C[NH2+]C[C@@H]2CCN(C3CC3)C2)COC1(C)C ZINC000876928650 686296320 /nfs/dbraw/zinc/29/63/20/686296320.db2.gz AQLMHQCWEQMTJF-HOCLYGCPSA-N 1 3 353.507 2.432 20 0 FEADHO CC(C)(C)OC(=O)N1[C@@H](CNC[C@@H]2CC[N@@H+](C3CC3)C2)COC1(C)C ZINC000876928650 686296326 /nfs/dbraw/zinc/29/63/26/686296326.db2.gz AQLMHQCWEQMTJF-HOCLYGCPSA-N 1 3 353.507 2.432 20 0 FEADHO CC(C)(C)OC(=O)N1[C@@H](CNC[C@@H]2CC[N@H+](C3CC3)C2)COC1(C)C ZINC000876928650 686296332 /nfs/dbraw/zinc/29/63/32/686296332.db2.gz AQLMHQCWEQMTJF-HOCLYGCPSA-N 1 3 353.507 2.432 20 0 FEADHO COCCN(Cc1ccc(/C=C\C(=O)OC)o1)CC1CC[NH+](C)CC1 ZINC000877664773 686432519 /nfs/dbraw/zinc/43/25/19/686432519.db2.gz WGULSCQFMIMISV-SREVYHEPSA-N 1 3 350.459 2.256 20 0 FEADHO COCCN(C)CCOc1cccc(C[NH2+]C2CCC(C)(O)CC2)c1 ZINC000892856084 689253873 /nfs/dbraw/zinc/25/38/73/689253873.db2.gz MFPFZPAFMLEERI-UHFFFAOYSA-N 1 3 350.503 2.427 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)C3C[C@H]4CC[C@@H](C3)S4)CC2)CC1 ZINC000896004874 689805984 /nfs/dbraw/zinc/80/59/84/689805984.db2.gz RJFDNXJJKOLLMV-DODVFSASSA-N 1 3 351.560 2.335 20 0 FEADHO O[C@]1(CNCCOC2CCSCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905707109 691166461 /nfs/dbraw/zinc/16/64/61/691166461.db2.gz XOFIISCCPPDQRE-IBGZPJMESA-N 1 3 350.528 2.125 20 0 FEADHO O[C@]1(CNCCOC2CCSCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905707109 691166469 /nfs/dbraw/zinc/16/64/69/691166469.db2.gz XOFIISCCPPDQRE-IBGZPJMESA-N 1 3 350.528 2.125 20 0 FEADHO Cn1cc(CN2CC[C@@H]3CN(c4[nH+]ccc5c4ccn5C)C[C@H]3C2)cn1 ZINC001164771625 721097566 /nfs/dbraw/zinc/09/75/66/721097566.db2.gz SIMJOZVQKYDCBN-IAGOWNOFSA-N 1 3 350.470 2.265 20 0 FEADHO Cc1cccc(OCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050800260 540414971 /nfs/dbraw/zinc/41/49/71/540414971.db2.gz UBMMCVNSFWBNLX-UHFFFAOYSA-N 1 3 359.514 2.439 20 0 FEADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)n1cnc2ccccc21 ZINC000051463931 540435439 /nfs/dbraw/zinc/43/54/39/540435439.db2.gz IHXUOGFUSVKZLF-MRXNPFEDSA-N 1 3 369.513 2.272 20 0 FEADHO C[C@@H]1CCC[C@@](CNC(=O)N2CCN(c3ccncc3)CC2)([NH+](C)C)C1 ZINC000052588319 540475342 /nfs/dbraw/zinc/47/53/42/540475342.db2.gz HZIFKBOLROCDCI-YLJYHZDGSA-N 1 3 359.518 2.424 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)NCCC[NH+](C)C)CC2)cc1 ZINC000063407373 541167629 /nfs/dbraw/zinc/16/76/29/541167629.db2.gz CIYPCHSVTLLLKP-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H](C)C[NH+]3CCCC3)CC2)c1 ZINC000072987486 541904544 /nfs/dbraw/zinc/90/45/44/541904544.db2.gz SADISHOXDXMWHK-FQEVSTJZSA-N 1 3 372.557 2.355 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1c(C)noc1C ZINC000074222703 542055898 /nfs/dbraw/zinc/05/58/98/542055898.db2.gz GNFOAHWUXMNWEZ-YOEHRIQHSA-N 1 3 365.522 2.410 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1c(C)noc1C ZINC000074222703 542055903 /nfs/dbraw/zinc/05/59/03/542055903.db2.gz GNFOAHWUXMNWEZ-YOEHRIQHSA-N 1 3 365.522 2.410 20 0 FEADHO CC1(C)NC(=O)N(CCCN2CCC(C[NH+]3CCCCCC3)CC2)C1=O ZINC000076965932 542335564 /nfs/dbraw/zinc/33/55/64/542335564.db2.gz UYOKLPGVTUJUON-UHFFFAOYSA-N 1 3 364.534 2.295 20 0 FEADHO C[NH+](C)CCNC(=O)C1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000092615633 542874739 /nfs/dbraw/zinc/87/47/39/542874739.db2.gz CKHUDIANENKQMC-UHFFFAOYSA-N 1 3 361.515 2.028 20 0 FEADHO COCCc1nc(C)c([C@@H](C)NCCN2CCC([NH+](C)C)CC2)s1 ZINC000092766557 542886207 /nfs/dbraw/zinc/88/62/07/542886207.db2.gz ZGWMDZJAKQMOBA-CQSZACIVSA-N 1 3 354.564 2.317 20 0 FEADHO COCCCNC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820988 542888285 /nfs/dbraw/zinc/88/82/85/542888285.db2.gz RGCCFZZQRCYDFC-KRWDZBQOSA-N 1 3 362.518 2.161 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CN1C1CC1 ZINC000093135954 542910975 /nfs/dbraw/zinc/91/09/75/542910975.db2.gz JYASSTDJEJTOGB-WBVHZDCISA-N 1 3 357.502 2.222 20 0 FEADHO CCN(CCNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000103313656 543103660 /nfs/dbraw/zinc/10/36/60/543103660.db2.gz HKBZCKKVIBLCOO-LJQANCHMSA-N 1 3 358.530 2.335 20 0 FEADHO CCN(CCNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000103313656 543103664 /nfs/dbraw/zinc/10/36/64/543103664.db2.gz HKBZCKKVIBLCOO-LJQANCHMSA-N 1 3 358.530 2.335 20 0 FEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000105150066 543162634 /nfs/dbraw/zinc/16/26/34/543162634.db2.gz VQHYZNMPUPXULR-KRWDZBQOSA-N 1 3 368.591 2.379 20 0 FEADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000105150066 543162635 /nfs/dbraw/zinc/16/26/35/543162635.db2.gz VQHYZNMPUPXULR-KRWDZBQOSA-N 1 3 368.591 2.379 20 0 FEADHO COc1cccc(CNCCC[N@@H+]2CCCN(C)CC2)c1OC(F)F ZINC000105477121 543174396 /nfs/dbraw/zinc/17/43/96/543174396.db2.gz USUOBALACPIGKI-UHFFFAOYSA-N 1 3 357.445 2.414 20 0 FEADHO COc1cccc(CNCCC[N@H+]2CCCN(C)CC2)c1OC(F)F ZINC000105477121 543174397 /nfs/dbraw/zinc/17/43/97/543174397.db2.gz USUOBALACPIGKI-UHFFFAOYSA-N 1 3 357.445 2.414 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106549409 543236805 /nfs/dbraw/zinc/23/68/05/543236805.db2.gz GEEVXVDISFQTJH-GOSISDBHSA-N 1 3 374.529 2.443 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106549409 543236807 /nfs/dbraw/zinc/23/68/07/543236807.db2.gz GEEVXVDISFQTJH-GOSISDBHSA-N 1 3 374.529 2.443 20 0 FEADHO CCN1CCN([C@H]2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C2)CC1 ZINC000106807099 543249178 /nfs/dbraw/zinc/24/91/78/543249178.db2.gz KHNKTKXWKVXOCH-NRFANRHFSA-N 1 3 370.541 2.134 20 0 FEADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000107389753 543269667 /nfs/dbraw/zinc/26/96/67/543269667.db2.gz PKUVMVVRZHJRPI-QZTJIDSGSA-N 1 3 361.534 2.275 20 0 FEADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000107389753 543269669 /nfs/dbraw/zinc/26/96/69/543269669.db2.gz PKUVMVVRZHJRPI-QZTJIDSGSA-N 1 3 361.534 2.275 20 0 FEADHO CCN1CCN(CCC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000109627238 543329096 /nfs/dbraw/zinc/32/90/96/543329096.db2.gz HKWCLBQZJNNDAZ-SFHVURJKSA-N 1 3 360.546 2.260 20 0 FEADHO CC[N@H+](CCNC(=O)CCCN1CCN(c2ccccc2)CC1)C(C)C ZINC000111595435 543408025 /nfs/dbraw/zinc/40/80/25/543408025.db2.gz SMEGNEHDTXKLRV-UHFFFAOYSA-N 1 3 360.546 2.435 20 0 FEADHO CC[N@@H+](CCNC(=O)CCCN1CCN(c2ccccc2)CC1)C(C)C ZINC000111595435 543408027 /nfs/dbraw/zinc/40/80/27/543408027.db2.gz SMEGNEHDTXKLRV-UHFFFAOYSA-N 1 3 360.546 2.435 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCN(Cc3ccccc3)CC2)CC1 ZINC000114454156 543516871 /nfs/dbraw/zinc/51/68/71/543516871.db2.gz ZNVOCFYGEZXZGQ-UHFFFAOYSA-N 1 3 372.557 2.183 20 0 FEADHO COc1ccc([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cc1Cl ZINC000114501967 543522038 /nfs/dbraw/zinc/52/20/38/543522038.db2.gz SBDPQXBENFMKIF-MRXNPFEDSA-N 1 3 369.937 2.389 20 0 FEADHO Cc1nc(CCN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cs1 ZINC000124232100 543808660 /nfs/dbraw/zinc/80/86/60/543808660.db2.gz BYDKSWIUIWNZTC-UHFFFAOYSA-N 1 3 366.575 2.410 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000125574756 543890117 /nfs/dbraw/zinc/89/01/17/543890117.db2.gz SYAZBTYXOMYKKP-KRWDZBQOSA-N 1 3 370.497 2.016 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000125574756 543890120 /nfs/dbraw/zinc/89/01/20/543890120.db2.gz SYAZBTYXOMYKKP-KRWDZBQOSA-N 1 3 370.497 2.016 20 0 FEADHO CN(CCNC(=O)C1CC[NH+](CC2=CCCOC2)CC1)Cc1ccccc1 ZINC000130908529 544170538 /nfs/dbraw/zinc/17/05/38/544170538.db2.gz KGIGUWIFQNSGKW-UHFFFAOYSA-N 1 3 371.525 2.293 20 0 FEADHO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150947477 544489208 /nfs/dbraw/zinc/48/92/08/544489208.db2.gz PFPYUCIDXDYCEZ-AWEZNQCLSA-N 1 3 367.925 2.068 20 0 FEADHO C[C@H](Sc1ccccn1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000152218013 544626889 /nfs/dbraw/zinc/62/68/89/544626889.db2.gz HLUMGDTURYOKSJ-HNNXBMFYSA-N 1 3 362.543 2.237 20 0 FEADHO CCN1CCN(CCCC[NH2+]C2CCN(c3nc(C)cs3)CC2)CC1 ZINC000154465235 544909777 /nfs/dbraw/zinc/90/97/77/544909777.db2.gz IKFSZVJDYWTYAC-UHFFFAOYSA-N 1 3 365.591 2.428 20 0 FEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000154951657 544969344 /nfs/dbraw/zinc/96/93/44/544969344.db2.gz GFPLZOWRXKDKBE-KRWDZBQOSA-N 1 3 362.518 2.264 20 0 FEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000154951657 544969345 /nfs/dbraw/zinc/96/93/45/544969345.db2.gz GFPLZOWRXKDKBE-KRWDZBQOSA-N 1 3 362.518 2.264 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C2CC2)cc1 ZINC000189449247 328148958 /nfs/dbraw/zinc/14/89/58/328148958.db2.gz IDOADWDQSLHMKY-HNNXBMFYSA-N 1 3 360.502 2.066 20 0 FEADHO CCCCNC(=O)NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000189955366 328178616 /nfs/dbraw/zinc/17/86/16/328178616.db2.gz BVHASNRIAVRZKL-IAGOWNOFSA-N 1 3 374.529 2.359 20 0 FEADHO CCCCNC(=O)[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192728033 328335846 /nfs/dbraw/zinc/33/58/46/328335846.db2.gz XRCIPTNYJAWDDJ-LJQANCHMSA-N 1 3 352.567 2.031 20 0 FEADHO CCCCNC(=O)[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192728033 328335848 /nfs/dbraw/zinc/33/58/48/328335848.db2.gz XRCIPTNYJAWDDJ-LJQANCHMSA-N 1 3 352.567 2.031 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC([NH+](C)C)CC2)CC1 ZINC000193823755 328397434 /nfs/dbraw/zinc/39/74/34/328397434.db2.gz OPOHQGDORNMWDI-UHFFFAOYSA-N 1 3 372.557 2.055 20 0 FEADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000041605827 324511159 /nfs/dbraw/zinc/51/11/59/324511159.db2.gz ZBOKGVVNWNNAMT-QGZVFWFLSA-N 1 3 374.529 2.458 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000237401863 328515010 /nfs/dbraw/zinc/51/50/10/328515010.db2.gz ATECDNWDCAGOSS-HLIPFELVSA-N 1 3 351.535 2.114 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)NC2CCN(C)CC2)cc1 ZINC000079205657 325081801 /nfs/dbraw/zinc/08/18/01/325081801.db2.gz WXNWTKUDYKLAGY-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000079953544 325111284 /nfs/dbraw/zinc/11/12/84/325111284.db2.gz FXYKMCGELBGPTC-TZIWHRDSSA-N 1 3 372.557 2.183 20 0 FEADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000079953544 325111286 /nfs/dbraw/zinc/11/12/86/325111286.db2.gz FXYKMCGELBGPTC-TZIWHRDSSA-N 1 3 372.557 2.183 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000089666168 325326267 /nfs/dbraw/zinc/32/62/67/325326267.db2.gz ZLVRNVZDAVICJK-IOASZLSFSA-N 1 3 368.319 2.497 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000089666168 325326269 /nfs/dbraw/zinc/32/62/69/325326269.db2.gz ZLVRNVZDAVICJK-IOASZLSFSA-N 1 3 368.319 2.497 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4ccccc4CC3)CC2)CC1 ZINC000116540469 326022401 /nfs/dbraw/zinc/02/24/01/326022401.db2.gz GPDVTBGQHMHFBI-UHFFFAOYSA-N 1 3 370.541 2.355 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000118879880 326109608 /nfs/dbraw/zinc/10/96/08/326109608.db2.gz BXOMPMOFWHUXME-QGZVFWFLSA-N 1 3 356.514 2.043 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000118879880 326109613 /nfs/dbraw/zinc/10/96/13/326109613.db2.gz BXOMPMOFWHUXME-QGZVFWFLSA-N 1 3 356.514 2.043 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000119356440 326153244 /nfs/dbraw/zinc/15/32/44/326153244.db2.gz APJMCWBPFRKLJV-HUUCEWRRSA-N 1 3 373.588 2.393 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000119356440 326153246 /nfs/dbraw/zinc/15/32/46/326153246.db2.gz APJMCWBPFRKLJV-HUUCEWRRSA-N 1 3 373.588 2.393 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000120297249 326247835 /nfs/dbraw/zinc/24/78/35/326247835.db2.gz DYOVSJBUJIRGDU-IRXDYDNUSA-N 1 3 368.591 2.330 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000120297249 326247838 /nfs/dbraw/zinc/24/78/38/326247838.db2.gz DYOVSJBUJIRGDU-IRXDYDNUSA-N 1 3 368.591 2.330 20 0 FEADHO CC[C@@H]1CN(Cc2ccccc2N2CCN(CC)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000120742910 326283954 /nfs/dbraw/zinc/28/39/54/326283954.db2.gz RJINQGLUPXSBIJ-TZIWHRDSSA-N 1 3 374.573 2.106 20 0 FEADHO CC[C@@H]1CN(Cc2ccccc2N2CCN(CC)CC2)CC[N@H+]1C[C@@H](C)O ZINC000120742910 326283956 /nfs/dbraw/zinc/28/39/56/326283956.db2.gz RJINQGLUPXSBIJ-TZIWHRDSSA-N 1 3 374.573 2.106 20 0 FEADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)CN1CCN(C)CC1 ZINC000120798348 326288808 /nfs/dbraw/zinc/28/88/08/326288808.db2.gz GCKZRAJBMOWWTH-OALUTQOASA-N 1 3 362.562 2.161 20 0 FEADHO CC[C@]1(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)CCC[NH2+]1 ZINC000134598258 326628388 /nfs/dbraw/zinc/62/83/88/326628388.db2.gz VPDCITAVKRWFJN-TZIWHRDSSA-N 1 3 359.514 2.080 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000163609479 327055164 /nfs/dbraw/zinc/05/51/64/327055164.db2.gz KBAPZWDLFJYZMO-WMZOPIPTSA-N 1 3 370.501 2.087 20 0 FEADHO Cc1ccc2c(c1)[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)CCCO2 ZINC000168927261 327087703 /nfs/dbraw/zinc/08/77/03/327087703.db2.gz KFLMITHHXQJOCL-FQEVSTJZSA-N 1 3 361.530 2.188 20 0 FEADHO COCCN1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000171169279 327121777 /nfs/dbraw/zinc/12/17/77/327121777.db2.gz BOGVXDGTPZRHFA-IAGOWNOFSA-N 1 3 368.566 2.153 20 0 FEADHO CCSc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000171187154 327123252 /nfs/dbraw/zinc/12/32/52/327123252.db2.gz AGKIVBDJOHRKIV-UHFFFAOYSA-N 1 3 362.543 2.482 20 0 FEADHO C[NH+](C)CCNC(=O)C1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000171656850 327152462 /nfs/dbraw/zinc/15/24/62/327152462.db2.gz ZTZQMJARSNNTMG-UHFFFAOYSA-N 1 3 358.461 2.264 20 0 FEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173915940 327294128 /nfs/dbraw/zinc/29/41/28/327294128.db2.gz DRHZNQAOYGOAJJ-INIZCTEOSA-N 1 3 364.538 2.467 20 0 FEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173915940 327294129 /nfs/dbraw/zinc/29/41/29/327294129.db2.gz DRHZNQAOYGOAJJ-INIZCTEOSA-N 1 3 364.538 2.467 20 0 FEADHO CN(C)CCn1ccc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)n1 ZINC000173929540 327295179 /nfs/dbraw/zinc/29/51/79/327295179.db2.gz RTUPNXPQDPPHNN-UHFFFAOYSA-N 1 3 358.490 2.088 20 0 FEADHO CN(C)CCn1ccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)n1 ZINC000173929540 327295180 /nfs/dbraw/zinc/29/51/80/327295180.db2.gz RTUPNXPQDPPHNN-UHFFFAOYSA-N 1 3 358.490 2.088 20 0 FEADHO CN(CCCN1CCN(C)CC1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000174323766 327319845 /nfs/dbraw/zinc/31/98/45/327319845.db2.gz CSCCKDNORGRVJY-UHFFFAOYSA-N 1 3 372.513 2.204 20 0 FEADHO COCCN1CCC(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000175452579 327393668 /nfs/dbraw/zinc/39/36/68/327393668.db2.gz ZDENVVNXGOHFPB-UHFFFAOYSA-N 1 3 368.566 2.155 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000175798350 327414113 /nfs/dbraw/zinc/41/41/13/327414113.db2.gz VWWJSYYXLUIALN-LMMKCTJWSA-N 1 3 356.551 2.374 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c1 ZINC000262288177 328856916 /nfs/dbraw/zinc/85/69/16/328856916.db2.gz MQRWCWSGUNZMGP-ZVBHREPYSA-N 1 3 359.514 2.397 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000262753109 328886880 /nfs/dbraw/zinc/88/68/80/328886880.db2.gz AGZVRYSCQQCENX-UHFFFAOYSA-N 1 3 364.493 2.118 20 0 FEADHO CN(C)CCN(Cc1ccccc1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262755954 328886993 /nfs/dbraw/zinc/88/69/93/328886993.db2.gz KWZWWUXHZQOQNK-GOSISDBHSA-N 1 3 355.486 2.012 20 0 FEADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCN(CCOC)C2)cc1 ZINC000265496051 329133016 /nfs/dbraw/zinc/13/30/16/329133016.db2.gz BZMDHWXDUZFSCF-IBGZPJMESA-N 1 3 362.518 2.048 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](COC)c1ccco1 ZINC000266924292 329273289 /nfs/dbraw/zinc/27/32/89/329273289.db2.gz FRHLUEFYHSLBNM-SJORKVTESA-N 1 3 366.506 2.025 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](COC)c1ccco1 ZINC000266924292 329273291 /nfs/dbraw/zinc/27/32/91/329273291.db2.gz FRHLUEFYHSLBNM-SJORKVTESA-N 1 3 366.506 2.025 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267274140 329309594 /nfs/dbraw/zinc/30/95/94/329309594.db2.gz SYAAWRPFVPIDAS-IFMALSPDSA-N 1 3 374.573 2.066 20 0 FEADHO CN(C)C/C=C/C(=O)Nc1cc(NC(=O)/C=C/C[NH+](C)C)c(F)cc1F ZINC000268509617 329428555 /nfs/dbraw/zinc/42/85/55/329428555.db2.gz KULYTBANJUPTTI-KQQUZDAGSA-N 1 3 366.412 2.077 20 0 FEADHO C[C@@H](NCc1cccc(OCC(N)=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268892620 329465561 /nfs/dbraw/zinc/46/55/61/329465561.db2.gz AXPMVJJDWPFENQ-MRXNPFEDSA-N 1 3 371.481 2.342 20 0 FEADHO C[NH+]1CCC(C)(CNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC1 ZINC000273063959 329834105 /nfs/dbraw/zinc/83/41/05/329834105.db2.gz YRLTVQKXIQCLPO-UHFFFAOYSA-N 1 3 373.541 2.353 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000275702827 330079468 /nfs/dbraw/zinc/07/94/68/330079468.db2.gz SUKXORVCKRLOJM-PMACEKPBSA-N 1 3 374.529 2.290 20 0 FEADHO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)[C@@H](c1ccccc1)N(C)C ZINC000276564425 330164998 /nfs/dbraw/zinc/16/49/98/330164998.db2.gz HRGIZXNSFVFYSK-DBVUQKKJSA-N 1 3 359.514 2.437 20 0 FEADHO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)[C@@H](c1ccccc1)N(C)C ZINC000276564425 330165000 /nfs/dbraw/zinc/16/50/00/330165000.db2.gz HRGIZXNSFVFYSK-DBVUQKKJSA-N 1 3 359.514 2.437 20 0 FEADHO CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000433152057 330273757 /nfs/dbraw/zinc/27/37/57/330273757.db2.gz QCEFZHFAFJVUEQ-KRWDZBQOSA-N 1 3 361.490 2.072 20 0 FEADHO CC1CC[NH+](CCCCNC(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000156242651 545611085 /nfs/dbraw/zinc/61/10/85/545611085.db2.gz RPKYMENJVWKGEO-UHFFFAOYSA-N 1 3 350.511 2.078 20 0 FEADHO CN(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000477431497 561144802 /nfs/dbraw/zinc/14/48/02/561144802.db2.gz USVWKCWBGFXCIF-FPOVZHCZSA-N 1 3 370.541 2.429 20 0 FEADHO CN(C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000477431497 561144803 /nfs/dbraw/zinc/14/48/03/561144803.db2.gz USVWKCWBGFXCIF-FPOVZHCZSA-N 1 3 370.541 2.429 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)cc2)CC1 ZINC000157229574 545716644 /nfs/dbraw/zinc/71/66/44/545716644.db2.gz IILDJQXWSHXASD-TZIWHRDSSA-N 1 3 370.541 2.385 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)cc2)CC1 ZINC000157229574 545716650 /nfs/dbraw/zinc/71/66/50/545716650.db2.gz IILDJQXWSHXASD-TZIWHRDSSA-N 1 3 370.541 2.385 20 0 FEADHO CC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccc(OC)c2)CC1 ZINC000478424786 561166538 /nfs/dbraw/zinc/16/65/38/561166538.db2.gz GKBKDVLDTVLJLC-UHFFFAOYSA-N 1 3 362.518 2.253 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000479192972 561184087 /nfs/dbraw/zinc/18/40/87/561184087.db2.gz RBGWETZYXXRVFQ-IBGZPJMESA-N 1 3 365.493 2.217 20 0 FEADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000479356818 561188088 /nfs/dbraw/zinc/18/80/88/561188088.db2.gz GHYPEWDJJPIYKM-CABCVRRESA-N 1 3 351.516 2.086 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176024623 546391838 /nfs/dbraw/zinc/39/18/38/546391838.db2.gz KZVMMUGRTMBSMP-LJQANCHMSA-N 1 3 366.550 2.146 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(CN(C)C)ccc2C)CC1 ZINC000176090424 546404439 /nfs/dbraw/zinc/40/44/39/546404439.db2.gz ULZKYXNTDCAJIM-UHFFFAOYSA-N 1 3 374.529 2.376 20 0 FEADHO C[C@@H](NC(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000177385363 546604988 /nfs/dbraw/zinc/60/49/88/546604988.db2.gz RQZGLHLDLHISDD-MSOLQXFVSA-N 1 3 360.546 2.210 20 0 FEADHO COCCCN(C)CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177547252 546641260 /nfs/dbraw/zinc/64/12/60/546641260.db2.gz BTCQRQRTRLIONC-UHFFFAOYSA-N 1 3 354.539 2.051 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)NC[C@]1(N(C)C)CCSC1)CC(C)C ZINC000481017978 561222974 /nfs/dbraw/zinc/22/29/74/561222974.db2.gz DICDZRLLLAFQIY-FUHWJXTLSA-N 1 3 358.596 2.479 20 0 FEADHO CC(C)[C@@H](CNC(=O)NC[C@@]1(N(C)C)CCSC1)[NH+]1CCC(C)CC1 ZINC000481059598 561224080 /nfs/dbraw/zinc/22/40/80/561224080.db2.gz MDYDUFNOMXXPJW-MJGOQNOKSA-N 1 3 370.607 2.479 20 0 FEADHO CC(C)[C@@H](CNC(=O)NC[C@]1(N(C)C)CCSC1)[NH+]1CCC(C)CC1 ZINC000481059597 561224122 /nfs/dbraw/zinc/22/41/22/561224122.db2.gz MDYDUFNOMXXPJW-IEBWSBKVSA-N 1 3 370.607 2.479 20 0 FEADHO CCO[C@H](C)c1nc(CN2CCN(CC3CC[NH2+]CC3)CC2)cs1 ZINC000178983146 546883738 /nfs/dbraw/zinc/88/37/38/546883738.db2.gz HVXHUCFZOQWDDP-OAHLLOKOSA-N 1 3 352.548 2.358 20 0 FEADHO CN(C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000179102845 546899038 /nfs/dbraw/zinc/89/90/38/546899038.db2.gz PILBGSNMQHJJAL-DOTOQJQBSA-N 1 3 355.404 2.261 20 0 FEADHO CN(C)[C@@]1(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCSC1 ZINC000481772183 561241703 /nfs/dbraw/zinc/24/17/03/561241703.db2.gz ATKCQLPDEWHSGD-SJLPKXTDSA-N 1 3 354.564 2.084 20 0 FEADHO CC1CCC(N2CCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)CC2)CC1 ZINC000481773979 561241729 /nfs/dbraw/zinc/24/17/29/561241729.db2.gz DHJHKPFQGBPFEY-FAFZWHIHSA-N 1 3 368.591 2.330 20 0 FEADHO CC[C@H]([NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(=O)N1CCOCC1 ZINC000180170209 547062088 /nfs/dbraw/zinc/06/20/88/547062088.db2.gz UHDUCXBBFHILSI-TUFLPTIASA-N 1 3 371.525 2.124 20 0 FEADHO Cn1cc([C@@H](NCCCN2CCC[N@H+](C)CC2)c2cccc(F)c2)cn1 ZINC000180466993 547111623 /nfs/dbraw/zinc/11/16/23/547111623.db2.gz LYPURTVTOCEFRH-FQEVSTJZSA-N 1 3 359.493 2.266 20 0 FEADHO Cn1cc([C@@H](NCCCN2CCC[N@@H+](C)CC2)c2cccc(F)c2)cn1 ZINC000180466993 547111626 /nfs/dbraw/zinc/11/16/26/547111626.db2.gz LYPURTVTOCEFRH-FQEVSTJZSA-N 1 3 359.493 2.266 20 0 FEADHO C[C@H](NC(=O)c1ccnc(OCCN(C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182822526 547557798 /nfs/dbraw/zinc/55/77/98/547557798.db2.gz JCVYXZHRROQPAM-WMZOPIPTSA-N 1 3 374.529 2.405 20 0 FEADHO C[C@H](NC(=O)c1ccnc(OCCN(C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182822526 547557802 /nfs/dbraw/zinc/55/78/02/547557802.db2.gz JCVYXZHRROQPAM-WMZOPIPTSA-N 1 3 374.529 2.405 20 0 FEADHO CN(CCC[NH+]1CCN(C)CC1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000182968437 547581415 /nfs/dbraw/zinc/58/14/15/547581415.db2.gz LZYVEUUUJOLPEW-SFHVURJKSA-N 1 3 364.921 2.015 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCc1cccnc1 ZINC000184750047 547875251 /nfs/dbraw/zinc/87/52/51/547875251.db2.gz PDQXBEJCJNUCLK-VSOVRNOCSA-N 1 3 366.509 2.444 20 0 FEADHO C[C@@H](NCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185762979 548032050 /nfs/dbraw/zinc/03/20/50/548032050.db2.gz ONYYKPUOGAEPKW-HZPDHXFCSA-N 1 3 362.518 2.094 20 0 FEADHO C[C@@H](NCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185762979 548032052 /nfs/dbraw/zinc/03/20/52/548032052.db2.gz ONYYKPUOGAEPKW-HZPDHXFCSA-N 1 3 362.518 2.094 20 0 FEADHO C[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000185762979 548032057 /nfs/dbraw/zinc/03/20/57/548032057.db2.gz ONYYKPUOGAEPKW-HZPDHXFCSA-N 1 3 362.518 2.094 20 0 FEADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000485692140 561325971 /nfs/dbraw/zinc/32/59/71/561325971.db2.gz KWKIYSBAMYHNNI-KBAYOESNSA-N 1 3 357.498 2.289 20 0 FEADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000485692140 561325972 /nfs/dbraw/zinc/32/59/72/561325972.db2.gz KWKIYSBAMYHNNI-KBAYOESNSA-N 1 3 357.498 2.289 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000485773677 561327676 /nfs/dbraw/zinc/32/76/76/561327676.db2.gz HUCITDLYYMEPCD-MSOLQXFVSA-N 1 3 370.501 2.016 20 0 FEADHO Cc1c([C@H](C)N[C@@H](C)CC[NH+]2CCN(C)CC2)nnn1-c1ccc(F)cc1 ZINC000186599505 548156527 /nfs/dbraw/zinc/15/65/27/548156527.db2.gz UNYGOZUBQIBYED-HOTGVXAUSA-N 1 3 374.508 2.391 20 0 FEADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNC[C@@H]1CCCO1 ZINC000236903524 548788212 /nfs/dbraw/zinc/78/82/12/548788212.db2.gz DSVNTLCHHXKWOZ-PMACEKPBSA-N 1 3 359.514 2.126 20 0 FEADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNC[C@@H]1CCCO1 ZINC000236903524 548788217 /nfs/dbraw/zinc/78/82/17/548788217.db2.gz DSVNTLCHHXKWOZ-PMACEKPBSA-N 1 3 359.514 2.126 20 0 FEADHO CN1CCC[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)[C@@H]1c1cccs1 ZINC000237123905 548801762 /nfs/dbraw/zinc/80/17/62/548801762.db2.gz LVBWYIXKTKATPK-CKEIUWERSA-N 1 3 353.557 2.342 20 0 FEADHO C[NH2+]C[C@H](C)CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237146623 548804229 /nfs/dbraw/zinc/80/42/29/548804229.db2.gz SFOPHIJCRZPTRJ-WMLDXEAASA-N 1 3 357.420 2.413 20 0 FEADHO C[C@]1(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCCC[NH2+]1 ZINC000237550943 548833191 /nfs/dbraw/zinc/83/31/91/548833191.db2.gz CXQQJWWLHSRKCB-JOCHJYFZSA-N 1 3 372.557 2.233 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)C[C@H](C)O1 ZINC000237607169 548838815 /nfs/dbraw/zinc/83/88/15/548838815.db2.gz MZPLNNBKHXKHNT-CALCHBBNSA-N 1 3 359.514 2.497 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)c1 ZINC000237719818 548846840 /nfs/dbraw/zinc/84/68/40/548846840.db2.gz ATGYZWTUEWKILE-ICSRJNTNSA-N 1 3 358.530 2.141 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000246166308 549067449 /nfs/dbraw/zinc/06/74/49/549067449.db2.gz DYASGTGVIHXPEG-SJORKVTESA-N 1 3 350.507 2.473 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000246166308 549067453 /nfs/dbraw/zinc/06/74/53/549067453.db2.gz DYASGTGVIHXPEG-SJORKVTESA-N 1 3 350.507 2.473 20 0 FEADHO C[C@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@@H](N)c1ccccc1 ZINC000246184571 549072002 /nfs/dbraw/zinc/07/20/02/549072002.db2.gz CLJATTQVFHXHAF-YOUFYPILSA-N 1 3 372.557 2.340 20 0 FEADHO C[C@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@@H](N)c1ccccc1 ZINC000246184571 549072006 /nfs/dbraw/zinc/07/20/06/549072006.db2.gz CLJATTQVFHXHAF-YOUFYPILSA-N 1 3 372.557 2.340 20 0 FEADHO CCOC1(C)CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000488498441 561390809 /nfs/dbraw/zinc/39/08/09/561390809.db2.gz HBNGLKSKMXGWOI-UHFFFAOYSA-N 1 3 366.550 2.146 20 0 FEADHO O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000247987087 549397816 /nfs/dbraw/zinc/39/78/16/549397816.db2.gz IXYGVSNDKLBFIL-NJDAHSKKSA-N 1 3 354.498 2.231 20 0 FEADHO O[C@@H](Cn1cccn1)C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000247987087 549397820 /nfs/dbraw/zinc/39/78/20/549397820.db2.gz IXYGVSNDKLBFIL-NJDAHSKKSA-N 1 3 354.498 2.231 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1 ZINC000248716635 549489762 /nfs/dbraw/zinc/48/97/62/549489762.db2.gz ATECOOWPVYQANW-APWZRJJASA-N 1 3 374.529 2.266 20 0 FEADHO O=C(CCN1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1c(Cl)cccc1Cl ZINC000261606299 549733973 /nfs/dbraw/zinc/73/39/73/549733973.db2.gz CTJPJIZYHXMBJA-CYBMUJFWSA-N 1 3 371.312 2.302 20 0 FEADHO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000261652249 549738970 /nfs/dbraw/zinc/73/89/70/549738970.db2.gz BCKFATROFUTKQU-JKSUJKDBSA-N 1 3 351.516 2.219 20 0 FEADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CN3CCN2CCC3)c1 ZINC000490144758 561427686 /nfs/dbraw/zinc/42/76/86/561427686.db2.gz YUAUYHFMQQHPSG-OAQYLSRUSA-N 1 3 372.557 2.315 20 0 FEADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CN3CCN2CCC3)c1 ZINC000490144758 561427687 /nfs/dbraw/zinc/42/76/87/561427687.db2.gz YUAUYHFMQQHPSG-OAQYLSRUSA-N 1 3 372.557 2.315 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccc(OC(F)F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261829479 549760733 /nfs/dbraw/zinc/76/07/33/549760733.db2.gz KWWVNPOJCWNZGV-RDJZCZTQSA-N 1 3 367.440 2.368 20 0 FEADHO CCOc1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000262298406 549807796 /nfs/dbraw/zinc/80/77/96/549807796.db2.gz WZILHWKTJUWHCC-OAHLLOKOSA-N 1 3 355.429 2.166 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262429315 549819367 /nfs/dbraw/zinc/81/93/67/549819367.db2.gz STMBEPNMNYEXNO-SFHVURJKSA-N 1 3 373.476 2.151 20 0 FEADHO C[C@@H](CC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)C1CC[NH2+]CC1 ZINC000263245939 549888988 /nfs/dbraw/zinc/88/89/88/549888988.db2.gz HQGKSAHVHPQLJS-RCCFBDPRSA-N 1 3 365.562 2.360 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC000263666425 549916192 /nfs/dbraw/zinc/91/61/92/549916192.db2.gz HVKBZDIRUFFADT-MRXNPFEDSA-N 1 3 372.517 2.063 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC000263666425 549916195 /nfs/dbraw/zinc/91/61/95/549916195.db2.gz HVKBZDIRUFFADT-MRXNPFEDSA-N 1 3 372.517 2.063 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)CC(=O)N(C)C)cc1OC ZINC000268782316 550115684 /nfs/dbraw/zinc/11/56/84/550115684.db2.gz DMIBYEMKEXOPJY-MRXNPFEDSA-N 1 3 365.518 2.372 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000268830691 550120657 /nfs/dbraw/zinc/12/06/57/550120657.db2.gz DZMHDZNKQQEQMR-QUCCMNQESA-N 1 3 361.530 2.372 20 0 FEADHO C[NH2+][C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000269131656 550159093 /nfs/dbraw/zinc/15/90/93/550159093.db2.gz OZJYLALCPGTQIR-DOTOQJQBSA-N 1 3 355.404 2.261 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H](N)CC(C)C)cc1OC ZINC000269229405 550169819 /nfs/dbraw/zinc/16/98/19/550169819.db2.gz HGBNLSGXUVTTJP-KRWDZBQOSA-N 1 3 365.518 2.405 20 0 FEADHO C[NH+](C)CCOc1ccc(CCNC(=O)[C@H](CN)c2ccccc2)cc1 ZINC000269268217 550174198 /nfs/dbraw/zinc/17/41/98/550174198.db2.gz QMATXMZNZWDIHT-HXUWFJFHSA-N 1 3 355.482 2.028 20 0 FEADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000269638693 550212963 /nfs/dbraw/zinc/21/29/63/550212963.db2.gz CNFYXBWWGXYQTN-BEFAXECRSA-N 1 3 365.518 2.405 20 0 FEADHO CN1CC[C@H](NC(=O)NC[C@@]2([NH+](C)C)CCSC2)[C@@H]1c1ccccc1 ZINC000270256761 550256857 /nfs/dbraw/zinc/25/68/57/550256857.db2.gz GZPBKCBPKZSTFS-LNLFQRSKSA-N 1 3 362.543 2.168 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000270300271 550260001 /nfs/dbraw/zinc/26/00/01/550260001.db2.gz BIYMOWDFHCRERJ-FQEVSTJZSA-N 1 3 372.557 2.403 20 0 FEADHO C[C@@H](Cn1cccn1)NCc1ccccc1C[NH2+][C@@H](C)Cn1cccn1 ZINC000270695322 550297942 /nfs/dbraw/zinc/29/79/42/550297942.db2.gz DHXXYDYTEABIOO-ROUUACIJSA-N 1 3 352.486 2.436 20 0 FEADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000271527603 550382756 /nfs/dbraw/zinc/38/27/56/550382756.db2.gz QMQIDGYERWBPHT-ZOCIIQOWSA-N 1 3 366.527 2.119 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000271609562 550389545 /nfs/dbraw/zinc/38/95/45/550389545.db2.gz ZSNCLBNSZPYEFZ-OALUTQOASA-N 1 3 357.502 2.224 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000271609562 550389548 /nfs/dbraw/zinc/38/95/48/550389548.db2.gz ZSNCLBNSZPYEFZ-OALUTQOASA-N 1 3 357.502 2.224 20 0 FEADHO C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1=CCN(C)CC1 ZINC000272863521 550474146 /nfs/dbraw/zinc/47/41/46/550474146.db2.gz VOQDEOLTKKTFIU-INIZCTEOSA-N 1 3 357.502 2.248 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)c2)CC1 ZINC000274818496 550557251 /nfs/dbraw/zinc/55/72/51/550557251.db2.gz NXFAMQZIQROGQG-XLIONFOSSA-N 1 3 371.529 2.386 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)c2)CC1 ZINC000274818496 550557252 /nfs/dbraw/zinc/55/72/52/550557252.db2.gz NXFAMQZIQROGQG-XLIONFOSSA-N 1 3 371.529 2.386 20 0 FEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@](C)(O)CC1 ZINC000279872539 550938101 /nfs/dbraw/zinc/93/81/01/550938101.db2.gz CBDZYWJZGQNSMB-PGRDOPGGSA-N 1 3 373.541 2.393 20 0 FEADHO CN(CCC[NH+]1CCCC1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000282780644 551269760 /nfs/dbraw/zinc/26/97/60/551269760.db2.gz YCUASXPLJOEOIT-UHFFFAOYSA-N 1 3 359.518 2.425 20 0 FEADHO CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000498077983 561515728 /nfs/dbraw/zinc/51/57/28/561515728.db2.gz RXSQEFHKJKEAHL-RDTXWAMCSA-N 1 3 351.466 2.159 20 0 FEADHO Cc1nccn1CCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285866588 551821042 /nfs/dbraw/zinc/82/10/42/551821042.db2.gz ITVPXZCTMACKLO-NRFANRHFSA-N 1 3 353.514 2.084 20 0 FEADHO Cc1nccn1CCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285866588 551821044 /nfs/dbraw/zinc/82/10/44/551821044.db2.gz ITVPXZCTMACKLO-NRFANRHFSA-N 1 3 353.514 2.084 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2)CC1 ZINC000287892141 552059591 /nfs/dbraw/zinc/05/95/91/552059591.db2.gz QNBCLUKWCUYYEW-SFHVURJKSA-N 1 3 374.529 2.253 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000288620146 552186317 /nfs/dbraw/zinc/18/63/17/552186317.db2.gz VOAWKZOBNIRXCO-HXUWFJFHSA-N 1 3 374.529 2.472 20 0 FEADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000289704593 552364795 /nfs/dbraw/zinc/36/47/95/552364795.db2.gz GHDZZLSHXFVNIA-UHFFFAOYSA-N 1 3 369.513 2.377 20 0 FEADHO COc1ccc(C[C@](C)(O)CNC2CC[NH+](C(C)C)CC2)cc1OC ZINC000290034390 552417404 /nfs/dbraw/zinc/41/74/04/552417404.db2.gz DBBSHHLIDSKGLT-FQEVSTJZSA-N 1 3 350.503 2.460 20 0 FEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000290037292 552417615 /nfs/dbraw/zinc/41/76/15/552417615.db2.gz GIZZBZBSKOSKQT-QZTJIDSGSA-N 1 3 373.501 2.229 20 0 FEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000290041393 552418671 /nfs/dbraw/zinc/41/86/71/552418671.db2.gz DLXXZICIFXAPQI-SFTDATJTSA-N 1 3 372.557 2.339 20 0 FEADHO COc1ccc(C[C@](C)(O)CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000290060299 552421608 /nfs/dbraw/zinc/42/16/08/552421608.db2.gz FOMQCNBCUJHCSB-YVTWGWGSSA-N 1 3 350.503 2.316 20 0 FEADHO COc1ccc(C[C@](C)(O)CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000290060299 552421610 /nfs/dbraw/zinc/42/16/10/552421610.db2.gz FOMQCNBCUJHCSB-YVTWGWGSSA-N 1 3 350.503 2.316 20 0 FEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000290063360 552422149 /nfs/dbraw/zinc/42/21/49/552422149.db2.gz HUVBLRLAZCCBGI-ACRUOGEOSA-N 1 3 373.541 2.182 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000292654412 552746703 /nfs/dbraw/zinc/74/67/03/552746703.db2.gz QJNCAOMPSRVGED-DYESRHJHSA-N 1 3 371.529 2.344 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000292654412 552746705 /nfs/dbraw/zinc/74/67/05/552746705.db2.gz QJNCAOMPSRVGED-DYESRHJHSA-N 1 3 371.529 2.344 20 0 FEADHO CCN1CC[C@H]2OCCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)[C@H]2C1 ZINC000293845577 552861770 /nfs/dbraw/zinc/86/17/70/552861770.db2.gz IFAUOFZGTDGQLX-VQTJNVASSA-N 1 3 357.498 2.218 20 0 FEADHO CN(C)CCn1nccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000293943409 552869751 /nfs/dbraw/zinc/86/97/51/552869751.db2.gz CWLGMIQUWNYXNU-SFHVURJKSA-N 1 3 355.486 2.295 20 0 FEADHO CN(C)CCn1nccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000293943409 552869753 /nfs/dbraw/zinc/86/97/53/552869753.db2.gz CWLGMIQUWNYXNU-SFHVURJKSA-N 1 3 355.486 2.295 20 0 FEADHO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000294221926 552889373 /nfs/dbraw/zinc/88/93/73/552889373.db2.gz NRSGCLOWVOPJOE-HNNXBMFYSA-N 1 3 374.510 2.309 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000295010328 552951129 /nfs/dbraw/zinc/95/11/29/552951129.db2.gz MBIGDWYQKULPAN-TZUVLKIQSA-N 1 3 359.470 2.405 20 0 FEADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000295010328 552951131 /nfs/dbraw/zinc/95/11/31/552951131.db2.gz MBIGDWYQKULPAN-TZUVLKIQSA-N 1 3 359.470 2.405 20 0 FEADHO C[C@H](O)[C@@H]1CCN(Cc2cc(C[N@H+]3CC[C@@H]([C@H](C)O)C3)ccc2F)C1 ZINC000295065854 552955520 /nfs/dbraw/zinc/95/55/20/552955520.db2.gz VVSYKHLAYQSXAV-CWLKWCNXSA-N 1 3 350.478 2.231 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000296729234 553203832 /nfs/dbraw/zinc/20/38/32/553203832.db2.gz BQFSZQINOPKDFJ-UHFFFAOYSA-N 1 3 372.517 2.477 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000296729234 553203835 /nfs/dbraw/zinc/20/38/35/553203835.db2.gz BQFSZQINOPKDFJ-UHFFFAOYSA-N 1 3 372.517 2.477 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F)c1ccccc1 ZINC000503518642 561643398 /nfs/dbraw/zinc/64/33/98/561643398.db2.gz WUDLBMVEHHNNKI-BZUAXINKSA-N 1 3 355.429 2.155 20 0 FEADHO C[C@H]1CN(c2ccccc2C[NH2+]C2CCN(CCN(C)C)CC2)CCO1 ZINC000298218436 553399421 /nfs/dbraw/zinc/39/94/21/553399421.db2.gz ADLNAOZQZXTGBT-SFHVURJKSA-N 1 3 360.546 2.027 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000298677666 553457569 /nfs/dbraw/zinc/45/75/69/553457569.db2.gz UWBSFTDBOPSYQC-RTBURBONSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000298677666 553457573 /nfs/dbraw/zinc/45/75/73/553457573.db2.gz UWBSFTDBOPSYQC-RTBURBONSA-N 1 3 360.502 2.053 20 0 FEADHO CCn1ccnc1CN(CCCn1ccnc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000503917601 561649879 /nfs/dbraw/zinc/64/98/79/561649879.db2.gz GBDUARXIAPVWEZ-SFHVURJKSA-N 1 3 356.518 2.442 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C)Cc2cccs2)[C@@H](C)C1 ZINC000299331553 553548962 /nfs/dbraw/zinc/54/89/62/553548962.db2.gz OHJZNSSLAMLMBP-WMZOPIPTSA-N 1 3 367.559 2.433 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(OC)c(OC)c1 ZINC000299713668 553605772 /nfs/dbraw/zinc/60/57/72/553605772.db2.gz JKVOVFLIYOIEDW-KRWDZBQOSA-N 1 3 363.502 2.192 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(OC)c(OC)c1 ZINC000299713668 553605773 /nfs/dbraw/zinc/60/57/73/553605773.db2.gz JKVOVFLIYOIEDW-KRWDZBQOSA-N 1 3 363.502 2.192 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000505732434 561678780 /nfs/dbraw/zinc/67/87/80/561678780.db2.gz WVHUTFVRZSJNSI-HXUWFJFHSA-N 1 3 369.513 2.360 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000505732434 561678781 /nfs/dbraw/zinc/67/87/81/561678781.db2.gz WVHUTFVRZSJNSI-HXUWFJFHSA-N 1 3 369.513 2.360 20 0 FEADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCNc1cc[nH+]cc1)N(C)C ZINC000508849284 561775212 /nfs/dbraw/zinc/77/52/12/561775212.db2.gz QNCOZZJPULDFME-APWZRJJASA-N 1 3 355.486 2.214 20 0 FEADHO Cc1c([C@H]2[C@H](C[NH2+]C3CCN(C(C)(C)C)CC3)CC(=O)N2C)cnn1C ZINC000332006715 554362077 /nfs/dbraw/zinc/36/20/77/554362077.db2.gz NQSCGBRKJBZXPY-HNAYVOBHSA-N 1 3 361.534 2.100 20 0 FEADHO Cc1c([C@H]2[C@H](CNC3CC[NH+](C(C)(C)C)CC3)CC(=O)N2C)cnn1C ZINC000332006715 554362078 /nfs/dbraw/zinc/36/20/78/554362078.db2.gz NQSCGBRKJBZXPY-HNAYVOBHSA-N 1 3 361.534 2.100 20 0 FEADHO Cn1c2ccc(CNCc3cccc(OCC[NH+](C)C)c3)cc2oc1=O ZINC000509980641 561820665 /nfs/dbraw/zinc/82/06/65/561820665.db2.gz CXMNURXOGCMZMT-UHFFFAOYSA-N 1 3 355.438 2.362 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)CC1 ZINC000333119258 554575374 /nfs/dbraw/zinc/57/53/74/554575374.db2.gz HXFUPEWNMKNDTC-GSEOLPGOSA-N 1 3 365.562 2.239 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000333616817 554628045 /nfs/dbraw/zinc/62/80/45/554628045.db2.gz RDZVKAQHZPXUQX-OALUTQOASA-N 1 3 371.529 2.329 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCOC(C)(C)C3)CC2)CC1 ZINC000333861453 554650068 /nfs/dbraw/zinc/65/00/68/554650068.db2.gz RUBUWXPOWAHPID-MRXNPFEDSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000333932971 554657654 /nfs/dbraw/zinc/65/76/54/554657654.db2.gz HIODELZPTYLYFU-HZPDHXFCSA-N 1 3 354.564 2.117 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333944719 554659134 /nfs/dbraw/zinc/65/91/34/554659134.db2.gz SGBPLUBPKFTKEO-YESZJQIVSA-N 1 3 366.575 2.035 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000334045915 554672226 /nfs/dbraw/zinc/67/22/26/554672226.db2.gz QBTHYLAKWYRRSB-NRFANRHFSA-N 1 3 371.525 2.271 20 0 FEADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)C2)CC1 ZINC000360061021 554861748 /nfs/dbraw/zinc/86/17/48/554861748.db2.gz RXKZGXZFMNVYSU-SZMVWBNQSA-N 1 3 366.550 2.190 20 0 FEADHO CC(C)OCCN1CCC([NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000361240135 554911782 /nfs/dbraw/zinc/91/17/82/554911782.db2.gz DSRRCADYWLOESG-SESVDKBCSA-N 1 3 367.578 2.355 20 0 FEADHO CC(C)C[NH+]1CCC(NC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000363062942 555021860 /nfs/dbraw/zinc/02/18/60/555021860.db2.gz RPFNMSQMRMULNG-UHFFFAOYSA-N 1 3 351.535 2.258 20 0 FEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000363521127 555126356 /nfs/dbraw/zinc/12/63/56/555126356.db2.gz AWHGGEJSWNATOC-OAQYLSRUSA-N 1 3 372.557 2.135 20 0 FEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000363521127 555126358 /nfs/dbraw/zinc/12/63/58/555126358.db2.gz AWHGGEJSWNATOC-OAQYLSRUSA-N 1 3 372.557 2.135 20 0 FEADHO CN1CCN(CC2(C)CC[NH+](CCC(=O)Nc3ccccc3)CC2)CC1 ZINC000363807060 555190053 /nfs/dbraw/zinc/19/00/53/555190053.db2.gz TWGIRMKWFWAKLF-UHFFFAOYSA-N 1 3 358.530 2.365 20 0 FEADHO C[N@H+](CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)Cc1ccccc1 ZINC000363995088 555229534 /nfs/dbraw/zinc/22/95/34/555229534.db2.gz AJCHRGUXAGBVAP-WAOWUJCRSA-N 1 3 359.514 2.157 20 0 FEADHO C[N@@H+](CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)Cc1ccccc1 ZINC000363995088 555229536 /nfs/dbraw/zinc/22/95/36/555229536.db2.gz AJCHRGUXAGBVAP-WAOWUJCRSA-N 1 3 359.514 2.157 20 0 FEADHO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512311061 561899873 /nfs/dbraw/zinc/89/98/73/561899873.db2.gz VBKBIMHQZILFMT-IRXDYDNUSA-N 1 3 351.441 2.354 20 0 FEADHO C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000512311061 561899874 /nfs/dbraw/zinc/89/98/74/561899874.db2.gz VBKBIMHQZILFMT-IRXDYDNUSA-N 1 3 351.441 2.354 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000364639822 555359819 /nfs/dbraw/zinc/35/98/19/555359819.db2.gz DMACWNAWAZDSGB-IBGZPJMESA-N 1 3 358.530 2.108 20 0 FEADHO CCC[C@@H](C(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1)N(C)C ZINC000364868864 555419904 /nfs/dbraw/zinc/41/99/04/555419904.db2.gz HRUVLCSJBAJAHM-SFHVURJKSA-N 1 3 352.567 2.173 20 0 FEADHO C[C@@H](CCNC(=O)c1cnn(CCN2CCCCC2)c1)[NH+]1CCCCC1 ZINC000364961324 555451495 /nfs/dbraw/zinc/45/14/95/555451495.db2.gz YSOIETHJOQTOLD-SFHVURJKSA-N 1 3 361.534 2.363 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)c2cnn(CCN3CCCCC3)c2)CC1 ZINC000365247668 555522160 /nfs/dbraw/zinc/52/21/60/555522160.db2.gz BPQRRCAONOESCA-UHFFFAOYSA-N 1 3 361.534 2.363 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000365458032 555580550 /nfs/dbraw/zinc/58/05/50/555580550.db2.gz VJWKRYROUSYIOZ-ROUUACIJSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000365458032 555580554 /nfs/dbraw/zinc/58/05/54/555580554.db2.gz VJWKRYROUSYIOZ-ROUUACIJSA-N 1 3 366.550 2.003 20 0 FEADHO CCCN1CCN(C2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)CC1 ZINC000365649108 555631211 /nfs/dbraw/zinc/63/12/11/555631211.db2.gz WGGCSBBYJFBDTO-IBGZPJMESA-N 1 3 364.578 2.270 20 0 FEADHO C[NH+](C)C1CCN(CCN[C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513389038 561936498 /nfs/dbraw/zinc/93/64/98/561936498.db2.gz QRGSPDMOFNKLAP-NRFANRHFSA-N 1 3 353.514 2.376 20 0 FEADHO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CNCc2ccccc21 ZINC000515057698 561994577 /nfs/dbraw/zinc/99/45/77/561994577.db2.gz NRTFXKOMEYWAAY-IBGZPJMESA-N 1 3 357.498 2.025 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000368222240 556251841 /nfs/dbraw/zinc/25/18/41/556251841.db2.gz KSKVDTPTGXXGBT-HDICACEKSA-N 1 3 365.562 2.456 20 0 FEADHO COc1ccc2nc(CN[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)sc2c1 ZINC000515139509 561997773 /nfs/dbraw/zinc/99/77/73/561997773.db2.gz OASLGDBOZJRDLV-BEFAXECRSA-N 1 3 374.510 2.041 20 0 FEADHO C[C@@H]1CN(Cc2cn(C)nc2-c2cccnc2)CCN1C1CC[NH+](C)CC1 ZINC000368582387 556353200 /nfs/dbraw/zinc/35/32/00/556353200.db2.gz FOEGQSSQFFXNOY-QGZVFWFLSA-N 1 3 368.529 2.082 20 0 FEADHO CC(C)(O)CN1CCCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000368717678 556396587 /nfs/dbraw/zinc/39/65/87/556396587.db2.gz BNZUGQCJPIIQEU-UHFFFAOYSA-N 1 3 368.566 2.131 20 0 FEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000369016942 556477409 /nfs/dbraw/zinc/47/74/09/556477409.db2.gz PZSOWIUTNHATAJ-ZIFCJYIRSA-N 1 3 351.535 2.209 20 0 FEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000369016942 556477410 /nfs/dbraw/zinc/47/74/10/556477410.db2.gz PZSOWIUTNHATAJ-ZIFCJYIRSA-N 1 3 351.535 2.209 20 0 FEADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000369194380 556531394 /nfs/dbraw/zinc/53/13/94/556531394.db2.gz DIHZQEPSWOTPPU-IBGZPJMESA-N 1 3 373.545 2.466 20 0 FEADHO O=C(NCCC[NH+]1CCCCC1)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369201244 556533716 /nfs/dbraw/zinc/53/37/16/556533716.db2.gz VPTBPJIKPISMRM-HXUWFJFHSA-N 1 3 373.545 2.469 20 0 FEADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369199990 556533945 /nfs/dbraw/zinc/53/39/45/556533945.db2.gz CCEPVPBGUUHIML-IEBWSBKVSA-N 1 3 361.534 2.323 20 0 FEADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369307622 556570265 /nfs/dbraw/zinc/57/02/65/556570265.db2.gz OIZMMURIXIHZTP-RLLQIKCJSA-N 1 3 371.529 2.172 20 0 FEADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369307622 556570266 /nfs/dbraw/zinc/57/02/66/556570266.db2.gz OIZMMURIXIHZTP-RLLQIKCJSA-N 1 3 371.529 2.172 20 0 FEADHO CN(C)CCn1ccc(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)n1 ZINC000516192901 562035336 /nfs/dbraw/zinc/03/53/36/562035336.db2.gz MCEQBRYJDWDZGV-FQEVSTJZSA-N 1 3 369.513 2.085 20 0 FEADHO CN(C)CCn1ccc(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)n1 ZINC000516192901 562035338 /nfs/dbraw/zinc/03/53/38/562035338.db2.gz MCEQBRYJDWDZGV-FQEVSTJZSA-N 1 3 369.513 2.085 20 0 FEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369660184 556661569 /nfs/dbraw/zinc/66/15/69/556661569.db2.gz GPJRXPVVBFULRH-XWSJACJDSA-N 1 3 351.535 2.255 20 0 FEADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369660184 556661571 /nfs/dbraw/zinc/66/15/71/556661571.db2.gz GPJRXPVVBFULRH-XWSJACJDSA-N 1 3 351.535 2.255 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1(C)C ZINC000369814529 556703236 /nfs/dbraw/zinc/70/32/36/556703236.db2.gz QUZLBBBBEOMTNQ-DBXWQHBBSA-N 1 3 359.514 2.252 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1(C)C ZINC000369814529 556703239 /nfs/dbraw/zinc/70/32/39/556703239.db2.gz QUZLBBBBEOMTNQ-DBXWQHBBSA-N 1 3 359.514 2.252 20 0 FEADHO O=C(NC1CCN(Cc2ccsc2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000369860810 556715043 /nfs/dbraw/zinc/71/50/43/556715043.db2.gz HUKJCURSJPDXKE-GOSISDBHSA-N 1 3 360.527 2.368 20 0 FEADHO C[C@@H](NC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000370298582 556833453 /nfs/dbraw/zinc/83/34/53/556833453.db2.gz FGNZQZUSAFOELX-ZJPYXAASSA-N 1 3 368.566 2.151 20 0 FEADHO CCCN1CC[C@@H](C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000370677743 556937149 /nfs/dbraw/zinc/93/71/49/556937149.db2.gz ZLKQBUOXHPUUBC-HNNXBMFYSA-N 1 3 371.572 2.223 20 0 FEADHO C[NH+]1CCC(N2CC[C@@H](Nc3ncnc4c3cnn4C(C)(C)C)C2)CC1 ZINC000371310114 557140880 /nfs/dbraw/zinc/14/08/80/557140880.db2.gz GPPJBOOBSPROCC-CQSZACIVSA-N 1 3 357.506 2.162 20 0 FEADHO Cc1ncc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000517543023 562092052 /nfs/dbraw/zinc/09/20/52/562092052.db2.gz XNESHPHPRUFOAT-UHFFFAOYSA-N 1 3 353.514 2.473 20 0 FEADHO CC1CCC(N2CCC([N@H+](C)CCC(=O)N3CCOCC3)CC2)CC1 ZINC000371497557 557200367 /nfs/dbraw/zinc/20/03/67/557200367.db2.gz OUKGXOJPZMVSEC-UHFFFAOYSA-N 1 3 351.535 2.210 20 0 FEADHO CC1CCC(N2CCC([N@@H+](C)CCC(=O)N3CCOCC3)CC2)CC1 ZINC000371497557 557200368 /nfs/dbraw/zinc/20/03/68/557200368.db2.gz OUKGXOJPZMVSEC-UHFFFAOYSA-N 1 3 351.535 2.210 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000371599261 557235213 /nfs/dbraw/zinc/23/52/13/557235213.db2.gz MSHMQLQBRQVLHN-IBGZPJMESA-N 1 3 366.550 2.051 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000518099057 562104539 /nfs/dbraw/zinc/10/45/39/562104539.db2.gz QUWVQIGMPWSNCE-UHFFFAOYSA-N 1 3 368.566 2.440 20 0 FEADHO CC[NH+](CC)CCCNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000371604244 557236609 /nfs/dbraw/zinc/23/66/09/557236609.db2.gz HGMRNBIOOQBOSS-IBGZPJMESA-N 1 3 361.534 2.325 20 0 FEADHO CC(C)[C@@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCCCC1 ZINC000371687632 557263213 /nfs/dbraw/zinc/26/32/13/557263213.db2.gz YCHOHNQXNXSHII-MJGOQNOKSA-N 1 3 351.535 2.114 20 0 FEADHO CN(Cc1ccc(-n2cccn2)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371776588 557290811 /nfs/dbraw/zinc/29/08/11/557290811.db2.gz AFCVUNQXUUPVTG-OAQYLSRUSA-N 1 3 353.514 2.473 20 0 FEADHO CN(Cc1ccc(-n2cccn2)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371776588 557290814 /nfs/dbraw/zinc/29/08/14/557290814.db2.gz AFCVUNQXUUPVTG-OAQYLSRUSA-N 1 3 353.514 2.473 20 0 FEADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000518360100 562109425 /nfs/dbraw/zinc/10/94/25/562109425.db2.gz LKZIOPILKVIRSH-MRXNPFEDSA-N 1 3 363.527 2.432 20 0 FEADHO CC[N@H+](C)CCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000518719495 562117057 /nfs/dbraw/zinc/11/70/57/562117057.db2.gz ZUWYWCFTAFGLSR-UHFFFAOYSA-N 1 3 354.539 2.051 20 0 FEADHO CC[N@@H+](C)CCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000518719495 562117058 /nfs/dbraw/zinc/11/70/58/562117058.db2.gz ZUWYWCFTAFGLSR-UHFFFAOYSA-N 1 3 354.539 2.051 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H]4CC[N@H+](C)[C@H]4C3)c2)CC1 ZINC000372160391 557396105 /nfs/dbraw/zinc/39/61/05/557396105.db2.gz LSMZDFNGXFJMEQ-PXNSSMCTSA-N 1 3 371.529 2.386 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H]4CC[N@@H+](C)[C@H]4C3)c2)CC1 ZINC000372160391 557396109 /nfs/dbraw/zinc/39/61/09/557396109.db2.gz LSMZDFNGXFJMEQ-PXNSSMCTSA-N 1 3 371.529 2.386 20 0 FEADHO CCCOc1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000519632357 562137861 /nfs/dbraw/zinc/13/78/61/562137861.db2.gz VWLIGIVMKCBUAG-UHFFFAOYSA-N 1 3 361.530 2.362 20 0 FEADHO CN(C)CCN1CCC([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000519639985 562138280 /nfs/dbraw/zinc/13/82/80/562138280.db2.gz QZUHSGHDPQQVFH-QFIPXVFZSA-N 1 3 355.526 2.359 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC[C@H]3C3CCC3)CC2)CC1 ZINC000519650255 562138542 /nfs/dbraw/zinc/13/85/42/562138542.db2.gz OLLQEALOADKFDV-FQEVSTJZSA-N 1 3 363.546 2.210 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)c1ccccc1 ZINC000519650343 562138647 /nfs/dbraw/zinc/13/86/47/562138647.db2.gz XLSWRONUEUCGGX-VAMGGRTRSA-N 1 3 359.514 2.297 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)c1ccccc1 ZINC000519650343 562138648 /nfs/dbraw/zinc/13/86/48/562138648.db2.gz XLSWRONUEUCGGX-VAMGGRTRSA-N 1 3 359.514 2.297 20 0 FEADHO CN1CC[C@@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1c1cccnc1 ZINC000372997965 557606571 /nfs/dbraw/zinc/60/65/71/557606571.db2.gz FLVKFJWWVAMZAO-RDGPPVDQSA-N 1 3 357.502 2.000 20 0 FEADHO CN1CC[C@@H](CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1c1cccnc1 ZINC000372997965 557606573 /nfs/dbraw/zinc/60/65/73/557606573.db2.gz FLVKFJWWVAMZAO-RDGPPVDQSA-N 1 3 357.502 2.000 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000373347612 557676898 /nfs/dbraw/zinc/67/68/98/557676898.db2.gz CDPFEBFQQRLEPE-ZWKOTPCHSA-N 1 3 363.546 2.353 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000373347612 557676901 /nfs/dbraw/zinc/67/69/01/557676901.db2.gz CDPFEBFQQRLEPE-ZWKOTPCHSA-N 1 3 363.546 2.353 20 0 FEADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)COCc2ccc(Cl)cc2)CCCO1 ZINC000520219889 562150978 /nfs/dbraw/zinc/15/09/78/562150978.db2.gz MUDQMZMWYMPXOY-QFBILLFUSA-N 1 3 370.921 2.308 20 0 FEADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)COCc2ccc(Cl)cc2)CCCO1 ZINC000520219889 562150979 /nfs/dbraw/zinc/15/09/79/562150979.db2.gz MUDQMZMWYMPXOY-QFBILLFUSA-N 1 3 370.921 2.308 20 0 FEADHO CC(C)N1CCN(CCC[N@H+](C)C2CCN(Cc3ccncc3)CC2)CC1 ZINC000373874493 557777979 /nfs/dbraw/zinc/77/79/79/557777979.db2.gz PUSRFVNUENWQLD-UHFFFAOYSA-N 1 3 373.589 2.394 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+](C)C2CCN(Cc3ccncc3)CC2)CC1 ZINC000373874493 557777981 /nfs/dbraw/zinc/77/79/81/557777981.db2.gz PUSRFVNUENWQLD-UHFFFAOYSA-N 1 3 373.589 2.394 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC2(C[NH+](C)C)CCC2)CC1 ZINC000373986385 557801461 /nfs/dbraw/zinc/80/14/61/557801461.db2.gz PSKXMKDWSVODCQ-INIZCTEOSA-N 1 3 359.518 2.391 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(CCc3ccc(O)cc3)CC2)C1 ZINC000520998164 562167272 /nfs/dbraw/zinc/16/72/72/562167272.db2.gz SLFNPFCSHYZWLA-LJQANCHMSA-N 1 3 359.514 2.234 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000374919710 557951446 /nfs/dbraw/zinc/95/14/46/557951446.db2.gz YVOKZKUEVMZMLZ-HKUYNNGSSA-N 1 3 371.591 2.244 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000374919710 557951447 /nfs/dbraw/zinc/95/14/47/557951447.db2.gz YVOKZKUEVMZMLZ-HKUYNNGSSA-N 1 3 371.591 2.244 20 0 FEADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCN2CCC1CC2 ZINC000375136178 557982332 /nfs/dbraw/zinc/98/23/32/557982332.db2.gz SOYNAACBBIVETP-UHFFFAOYSA-N 1 3 356.514 2.183 20 0 FEADHO C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000521432800 562176290 /nfs/dbraw/zinc/17/62/90/562176290.db2.gz HIXIGMPNEZDRAG-QMMLZNLJSA-N 1 3 355.526 2.398 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375830928 558086446 /nfs/dbraw/zinc/08/64/46/558086446.db2.gz QGPSPNBVIIOBTD-NSHGMRRFSA-N 1 3 364.578 2.266 20 0 FEADHO C[C@@H](C(=O)NC1CCC(C)CC1)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376800144 558223185 /nfs/dbraw/zinc/22/31/85/558223185.db2.gz XHBPNEPLQDXRJO-NIAPBTPMSA-N 1 3 364.578 2.170 20 0 FEADHO CC1(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC[NH+](Cc2ccccc2)CC1 ZINC000376942011 558242404 /nfs/dbraw/zinc/24/24/04/558242404.db2.gz WWRXSSJDLBIIRF-WOJBJXKFSA-N 1 3 371.525 2.268 20 0 FEADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000522252670 562195005 /nfs/dbraw/zinc/19/50/05/562195005.db2.gz XGNIGNVOJQKNOU-JOCHJYFZSA-N 1 3 373.541 2.346 20 0 FEADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000522252670 562195006 /nfs/dbraw/zinc/19/50/06/562195006.db2.gz XGNIGNVOJQKNOU-JOCHJYFZSA-N 1 3 373.541 2.346 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000377442203 558341671 /nfs/dbraw/zinc/34/16/71/558341671.db2.gz CHFQHLXUOKNRNC-LJQANCHMSA-N 1 3 358.530 2.429 20 0 FEADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@@H]1CCN(C2CC2)C1 ZINC000522285061 562196089 /nfs/dbraw/zinc/19/60/89/562196089.db2.gz RSSDKXKDHROZOL-MRXNPFEDSA-N 1 3 362.543 2.496 20 0 FEADHO Cc1ccccc1-n1cc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)nn1 ZINC000377628095 558380826 /nfs/dbraw/zinc/38/08/26/558380826.db2.gz NZNROKROOAPXSI-FQEVSTJZSA-N 1 3 368.529 2.176 20 0 FEADHO COCCOc1ccccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000377684179 558395652 /nfs/dbraw/zinc/39/56/52/558395652.db2.gz WCISXOCJYMLTLU-SFHVURJKSA-N 1 3 361.530 2.312 20 0 FEADHO COCCOc1ccccc1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000377684179 558395655 /nfs/dbraw/zinc/39/56/55/558395655.db2.gz WCISXOCJYMLTLU-SFHVURJKSA-N 1 3 361.530 2.312 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000377915210 558447538 /nfs/dbraw/zinc/44/75/38/558447538.db2.gz QIZARVHRRWPJTE-OALUTQOASA-N 1 3 359.518 2.077 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000377915210 558447539 /nfs/dbraw/zinc/44/75/39/558447539.db2.gz QIZARVHRRWPJTE-OALUTQOASA-N 1 3 359.518 2.077 20 0 FEADHO CCOc1ccc(OCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000378316561 558528025 /nfs/dbraw/zinc/52/80/25/558528025.db2.gz KEAVNHQSSZJJRC-NQIIRXRSSA-N 1 3 361.530 2.422 20 0 FEADHO CCOc1ccc(OCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000378316561 558528027 /nfs/dbraw/zinc/52/80/27/558528027.db2.gz KEAVNHQSSZJJRC-NQIIRXRSSA-N 1 3 361.530 2.422 20 0 FEADHO CC(=O)N1CC[C@H]([NH2+]CCCN2CCCN(C)CC2)c2ccccc2C1 ZINC000378502396 558571256 /nfs/dbraw/zinc/57/12/56/558571256.db2.gz YMPNJXOENRRCTG-NRFANRHFSA-N 1 3 358.530 2.097 20 0 FEADHO COCC1(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000382736019 558604468 /nfs/dbraw/zinc/60/44/68/558604468.db2.gz HWCZBONZFKNTMV-SFHVURJKSA-N 1 3 359.514 2.126 20 0 FEADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1C ZINC000409449250 558692009 /nfs/dbraw/zinc/69/20/09/558692009.db2.gz WKAFQPPUAXTCAZ-NVXWUHKLSA-N 1 3 353.532 2.242 20 0 FEADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1C ZINC000409449250 558692012 /nfs/dbraw/zinc/69/20/12/558692012.db2.gz WKAFQPPUAXTCAZ-NVXWUHKLSA-N 1 3 353.532 2.242 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000410406678 558755584 /nfs/dbraw/zinc/75/55/84/558755584.db2.gz IGOPXDPZHCEEBE-ROUUACIJSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000410406678 558755588 /nfs/dbraw/zinc/75/55/88/558755588.db2.gz IGOPXDPZHCEEBE-ROUUACIJSA-N 1 3 360.502 2.053 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)ccc1C[NH+](C)C ZINC000411133040 558842624 /nfs/dbraw/zinc/84/26/24/558842624.db2.gz LNDMREQYYGVLJO-IAGOWNOFSA-N 1 3 374.529 2.374 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)Sc1ccccc1 ZINC000525305437 562245698 /nfs/dbraw/zinc/24/56/98/562245698.db2.gz YKAQRPIUNXKXPQ-INIZCTEOSA-N 1 3 352.548 2.302 20 0 FEADHO COC(=O)[C@H](O)C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411400795 558888091 /nfs/dbraw/zinc/88/80/91/558888091.db2.gz OZLJUNXYHPGSGS-HXUWFJFHSA-N 1 3 360.498 2.418 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2cccc(-n3cccn3)c2)CC1 ZINC000411465541 558899770 /nfs/dbraw/zinc/89/97/70/558899770.db2.gz XAMSFLXGYFTHMF-INIZCTEOSA-N 1 3 355.486 2.123 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)ccc1C[NH+](C)C ZINC000411481579 558902390 /nfs/dbraw/zinc/90/23/90/558902390.db2.gz JXCULIAXTNHPRD-SFHVURJKSA-N 1 3 374.529 2.232 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CNC2(Cc3ccccc3)CCOCC2)CC1 ZINC000411808145 558967379 /nfs/dbraw/zinc/96/73/79/558967379.db2.gz YQGNTCNOFUELEZ-UHFFFAOYSA-N 1 3 373.541 2.357 20 0 FEADHO Cc1cccc2c1ncc(C)c2NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413475816 559110714 /nfs/dbraw/zinc/11/07/14/559110714.db2.gz DAPKEPBQGJONLB-UHFFFAOYSA-N 1 3 368.525 2.482 20 0 FEADHO Cc1ccc(CC(=O)N(CCN(C)C)CC[NH+](C)C)cc1Br ZINC000526126174 562267616 /nfs/dbraw/zinc/26/76/16/562267616.db2.gz KDGVDYCKKUYLRZ-UHFFFAOYSA-N 1 3 370.335 2.252 20 0 FEADHO CN1CCC(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)(N2CCOCC2)CC1 ZINC000414191397 559152376 /nfs/dbraw/zinc/15/23/76/559152376.db2.gz LLQRDUONYRVCRD-LJQANCHMSA-N 1 3 363.933 2.193 20 0 FEADHO CCO[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C12CCCC2 ZINC000414196982 559152382 /nfs/dbraw/zinc/15/23/82/559152382.db2.gz OZCBIUQYSRQZDM-RTBURBONSA-N 1 3 365.562 2.110 20 0 FEADHO CCO[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C12CCCC2 ZINC000414196974 559152403 /nfs/dbraw/zinc/15/24/03/559152403.db2.gz OZCBIUQYSRQZDM-MOPGFXCFSA-N 1 3 365.562 2.110 20 0 FEADHO CN1CCC(C[NH2+]Cc2ccc(OCC3CC3)cc2)(N2CCOCC2)CC1 ZINC000414491006 559168559 /nfs/dbraw/zinc/16/85/59/559168559.db2.gz YPSGHQMFOCYCDG-UHFFFAOYSA-N 1 3 373.541 2.362 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000414700013 559180910 /nfs/dbraw/zinc/18/09/10/559180910.db2.gz ULSJMWXVDYSCHE-UHFFFAOYSA-N 1 3 368.481 2.113 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCC(C)(C)N2CCC[C@H](C)C2)cc1 ZINC000414737561 559183409 /nfs/dbraw/zinc/18/34/09/559183409.db2.gz HHWPKTVKVUWEGW-LSDHHAIUSA-N 1 3 360.502 2.272 20 0 FEADHO C[C@@H]1C[C@H](CN2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)CC[NH2+]1 ZINC000414742644 559184035 /nfs/dbraw/zinc/18/40/35/559184035.db2.gz IISOKGXSSDOMSO-HZPDHXFCSA-N 1 3 361.921 2.493 20 0 FEADHO C[C@H]1C[C@@H](CN2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)CC[NH2+]1 ZINC000414742641 559184131 /nfs/dbraw/zinc/18/41/31/559184131.db2.gz IISOKGXSSDOMSO-HOTGVXAUSA-N 1 3 361.921 2.493 20 0 FEADHO C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414753359 559184950 /nfs/dbraw/zinc/18/49/50/559184950.db2.gz MDFLRYNDMDEJNJ-CYBMUJFWSA-N 1 3 372.282 2.217 20 0 FEADHO C[N@H+](Cc1ccc(Br)c(F)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414753359 559184951 /nfs/dbraw/zinc/18/49/51/559184951.db2.gz MDFLRYNDMDEJNJ-CYBMUJFWSA-N 1 3 372.282 2.217 20 0 FEADHO COc1cc(OC)cc(N2CC[C@H](N(C)C[C@@H]3CC[NH2+][C@@H](C)C3)C2=O)c1 ZINC000414756389 559185479 /nfs/dbraw/zinc/18/54/79/559185479.db2.gz QQBTWXAGRVPDKC-KHYOSLBOSA-N 1 3 361.486 2.129 20 0 FEADHO [NH3+]C[C@H]1CN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC12CCOCC2 ZINC000414793338 559187932 /nfs/dbraw/zinc/18/79/32/559187932.db2.gz TWONOCBWENGLBI-ICSRJNTNSA-N 1 3 360.498 2.432 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1 ZINC000414823890 559189680 /nfs/dbraw/zinc/18/96/80/559189680.db2.gz PPHRULOLABUDBT-HZPDHXFCSA-N 1 3 368.481 2.282 20 0 FEADHO CCOc1cc(CNC[C@H](C)C[NH3+])ccc1OCC(=O)N1CCCCC1 ZINC000414884104 559193037 /nfs/dbraw/zinc/19/30/37/559193037.db2.gz VMIQRLBTFMYKOS-MRXNPFEDSA-N 1 3 363.502 2.161 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2cccc(OCCN(C)C)c2)cc1 ZINC000414894511 559193648 /nfs/dbraw/zinc/19/36/48/559193648.db2.gz ZNAZIJOEJYQXLG-AWEZNQCLSA-N 1 3 370.453 2.224 20 0 FEADHO Cn1cc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(-c2cccs2)n1 ZINC000414985510 559198922 /nfs/dbraw/zinc/19/89/22/559198922.db2.gz MXNAFHQXEGMBJA-AWEZNQCLSA-N 1 3 373.448 2.074 20 0 FEADHO O=C1CC[C@@H](NCc2cccc(OC(F)F)c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414988935 559199353 /nfs/dbraw/zinc/19/93/53/559199353.db2.gz MSSQJTKPXHUJLB-WBVHZDCISA-N 1 3 353.413 2.024 20 0 FEADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CNCCCO1 ZINC000415038978 559201968 /nfs/dbraw/zinc/20/19/68/559201968.db2.gz MUIGYHVQZMKSSK-OLZOCXBDSA-N 1 3 359.392 2.391 20 0 FEADHO C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415064525 559203284 /nfs/dbraw/zinc/20/32/84/559203284.db2.gz CTVGRCWMLFNJHE-SFHVURJKSA-N 1 3 362.543 2.494 20 0 FEADHO [NH3+]CC[C@H](NC(=O)Nc1ccc(CCN2CCSCC2)cc1)C(F)F ZINC000415065638 559203572 /nfs/dbraw/zinc/20/35/72/559203572.db2.gz GWURUSFPSAWBSR-HNNXBMFYSA-N 1 3 372.485 2.382 20 0 FEADHO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415068968 559203790 /nfs/dbraw/zinc/20/37/90/559203790.db2.gz OAOWELHWBLZYEB-HNNXBMFYSA-N 1 3 350.532 2.255 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000415107691 559205478 /nfs/dbraw/zinc/20/54/78/559205478.db2.gz JNLPOEVVCSSZMY-SFHVURJKSA-N 1 3 372.513 2.212 20 0 FEADHO O=C1N[C@H]2CN(CCCCOc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415140872 559208148 /nfs/dbraw/zinc/20/81/48/559208148.db2.gz NUQQURLOSJBBGS-VQTJNVASSA-N 1 3 372.513 2.066 20 0 FEADHO Cc1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)ccc1CN(C)C ZINC000415433095 559236023 /nfs/dbraw/zinc/23/60/23/559236023.db2.gz WSVZXODNHOANMR-GOSISDBHSA-N 1 3 360.502 2.019 20 0 FEADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)cc1 ZINC000415484600 559242258 /nfs/dbraw/zinc/24/22/58/559242258.db2.gz HYQQSPKXCYAAPE-AWEZNQCLSA-N 1 3 354.454 2.023 20 0 FEADHO CCCC[C@@H](CN)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415500138 559243979 /nfs/dbraw/zinc/24/39/79/559243979.db2.gz PPNDZGXZDDUHEU-LPHOPBHVSA-N 1 3 374.529 2.491 20 0 FEADHO CCCC[C@@H](CN)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415500138 559243980 /nfs/dbraw/zinc/24/39/80/559243980.db2.gz PPNDZGXZDDUHEU-LPHOPBHVSA-N 1 3 374.529 2.491 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc(OCC[NH3+])cc2)cc1 ZINC000415943699 559283841 /nfs/dbraw/zinc/28/38/41/559283841.db2.gz FRWZMLAYLMFTGT-IBGZPJMESA-N 1 3 372.469 2.457 20 0 FEADHO C[NH2+]Cc1ccc(NC(=O)Nc2ccc(OC[C@@H](O)CN(C)C)cc2)cc1 ZINC000415967260 559285606 /nfs/dbraw/zinc/28/56/06/559285606.db2.gz AZQVIDLTKIQHJZ-SFHVURJKSA-N 1 3 372.469 2.351 20 0 FEADHO COCCN1CCC(NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415972520 559286251 /nfs/dbraw/zinc/28/62/51/559286251.db2.gz PBDROGUWEZWHNN-UHFFFAOYSA-N 1 3 374.407 2.396 20 0 FEADHO C[NH2+]Cc1ccc(NC(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000415980964 559286657 /nfs/dbraw/zinc/28/66/57/559286657.db2.gz HUYWFHXSNAJLSC-MRXNPFEDSA-N 1 3 359.518 2.038 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)NC1CCN(CCc2ccccc2)CC1)C(F)(F)F ZINC000415993179 559287640 /nfs/dbraw/zinc/28/76/40/559287640.db2.gz IBQDXGBDHXLNDG-MRXNPFEDSA-N 1 3 372.435 2.272 20 0 FEADHO CC(C)(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)N1CCc2ccccc2C1 ZINC000415997423 559288304 /nfs/dbraw/zinc/28/83/04/559288304.db2.gz RMJSVJHOQKPRAY-OAHLLOKOSA-N 1 3 372.435 2.402 20 0 FEADHO C[C@@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[C@H]1N1CCN(C)CC1 ZINC000416184693 559296975 /nfs/dbraw/zinc/29/69/75/559296975.db2.gz PWMSHTXEXOPILR-HMXCVIKNSA-N 1 3 372.557 2.164 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416968334 559340645 /nfs/dbraw/zinc/34/06/45/559340645.db2.gz ALAIATBMIZOFPA-HXUWFJFHSA-N 1 3 356.514 2.229 20 0 FEADHO C[C@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000416970937 559341071 /nfs/dbraw/zinc/34/10/71/559341071.db2.gz FWAFRLRSPNBHBR-PXNSSMCTSA-N 1 3 358.530 2.462 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416974005 559341163 /nfs/dbraw/zinc/34/11/63/559341163.db2.gz KONOOVNRITVREF-ICSRJNTNSA-N 1 3 356.514 2.087 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000416975913 559341392 /nfs/dbraw/zinc/34/13/92/559341392.db2.gz NJZHQLNPNPVRGU-RBUKOAKNSA-N 1 3 356.514 2.210 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417203421 559352823 /nfs/dbraw/zinc/35/28/23/559352823.db2.gz YPNXPVFJMRVELL-AABGKKOBSA-N 1 3 358.530 2.190 20 0 FEADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417306576 559356796 /nfs/dbraw/zinc/35/67/96/559356796.db2.gz GJNPPUQQCXIJMK-FGTMMUONSA-N 1 3 351.560 2.220 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)NCC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000417337121 559358207 /nfs/dbraw/zinc/35/82/07/559358207.db2.gz WKVOVSHSKVTAAI-QGZVFWFLSA-N 1 3 374.529 2.206 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3C[C@H](C[NH3+])C[C@H]3C)CC2)cc1 ZINC000417338101 559358213 /nfs/dbraw/zinc/35/82/13/559358213.db2.gz YBKMAVJWIPIOCV-APWZRJJASA-N 1 3 374.529 2.286 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417361097 559359095 /nfs/dbraw/zinc/35/90/95/559359095.db2.gz IKSVHMWYIUFPEG-JZXOWHBKSA-N 1 3 362.543 2.354 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417378192 559360141 /nfs/dbraw/zinc/36/01/41/559360141.db2.gz HCKLNMJYKZUDAO-FUHWJXTLSA-N 1 3 362.543 2.354 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000417488502 559364174 /nfs/dbraw/zinc/36/41/74/559364174.db2.gz CXIHBZLJBISZCK-NEWSRXKRSA-N 1 3 362.518 2.123 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000417498278 559364640 /nfs/dbraw/zinc/36/46/40/559364640.db2.gz CQZFWIFNQKIIAH-QYZOEREBSA-N 1 3 362.518 2.123 20 0 FEADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417503122 559364877 /nfs/dbraw/zinc/36/48/77/559364877.db2.gz CFLONQLTTKAAPB-QFBILLFUSA-N 1 3 362.518 2.081 20 0 FEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000417676915 559371779 /nfs/dbraw/zinc/37/17/79/559371779.db2.gz FGTKCAWDKREFNT-BHIYHBOVSA-N 1 3 356.514 2.463 20 0 FEADHO C[C@]1(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCCN1Cc1ccccc1 ZINC000418045857 559387930 /nfs/dbraw/zinc/38/79/30/559387930.db2.gz PHWGZZNJMAWOCD-RTWAWAEBSA-N 1 3 356.514 2.436 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N(CCC[NH3+])CC2CCCC2)CCCO1 ZINC000418109045 559390347 /nfs/dbraw/zinc/39/03/47/559390347.db2.gz CERJQQJMEXHHPJ-QGZVFWFLSA-N 1 3 354.539 2.038 20 0 FEADHO C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418166364 559392569 /nfs/dbraw/zinc/39/25/69/559392569.db2.gz JWLUHOIDBLWCGL-MRXNPFEDSA-N 1 3 362.518 2.476 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)N[C@@H](C[NH3+])C3CCCC3)cc2)CC1 ZINC000418171865 559392892 /nfs/dbraw/zinc/39/28/92/559392892.db2.gz QTPCZBYYFATQLL-FQEVSTJZSA-N 1 3 374.529 2.476 20 0 FEADHO CC[NH2+][C@H](C)CNC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418209033 559394073 /nfs/dbraw/zinc/39/40/73/559394073.db2.gz RBLKUOUXRIQLDD-CRAIPNDOSA-N 1 3 350.507 2.374 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NCC[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418227544 559394563 /nfs/dbraw/zinc/39/45/63/559394563.db2.gz CSPTUNCEYGZZSW-RHSMWYFYSA-N 1 3 350.532 2.310 20 0 FEADHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000418231876 559394846 /nfs/dbraw/zinc/39/48/46/559394846.db2.gz LWXRDXUOOVDRJF-WBVHZDCISA-N 1 3 350.532 2.405 20 0 FEADHO O=C(NC[C@H]1CCC[NH2+]C1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418309540 559397120 /nfs/dbraw/zinc/39/71/20/559397120.db2.gz CITVRLWEASAURB-PZJWPPBQSA-N 1 3 356.514 2.294 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418335696 559398078 /nfs/dbraw/zinc/39/80/78/559398078.db2.gz HMULFLPPSLXCNH-CQSZACIVSA-N 1 3 354.445 2.038 20 0 FEADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418344548 559398351 /nfs/dbraw/zinc/39/83/51/559398351.db2.gz SEKWNLRCTHQGRK-GOSISDBHSA-N 1 3 359.518 2.329 20 0 FEADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418551580 559405782 /nfs/dbraw/zinc/40/57/82/559405782.db2.gz BEXRDSNCAWGQLH-WMLDXEAASA-N 1 3 352.910 2.411 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418556961 559406230 /nfs/dbraw/zinc/40/62/30/559406230.db2.gz WIIBSNIMTVDDQV-LJQANCHMSA-N 1 3 368.472 2.428 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418607066 559407611 /nfs/dbraw/zinc/40/76/11/559407611.db2.gz ZZUBWTWFSFYAKO-UYAOXDASSA-N 1 3 358.530 2.335 20 0 FEADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418632755 559408693 /nfs/dbraw/zinc/40/86/93/559408693.db2.gz HQZFLESDMNVGER-IBGZPJMESA-N 1 3 354.539 2.053 20 0 FEADHO CCN(C(=O)NC[C@@]1(COC)CCC[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418652923 559409773 /nfs/dbraw/zinc/40/97/73/559409773.db2.gz JSPWECDVMXKWIF-PZJWPPBQSA-N 1 3 374.529 2.061 20 0 FEADHO COC[C@]1(CNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000418655069 559409802 /nfs/dbraw/zinc/40/98/02/559409802.db2.gz MSXVCZHABIECLR-SJLPKXTDSA-N 1 3 368.909 2.011 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418658830 559410096 /nfs/dbraw/zinc/41/00/96/559410096.db2.gz KTJXVTGRABDXSX-DLBZAZTESA-N 1 3 350.532 2.209 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418661507 559410338 /nfs/dbraw/zinc/41/03/38/559410338.db2.gz QCNUPTPLULCKEN-PKOBYXMFSA-N 1 3 362.493 2.287 20 0 FEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CNCCC3(F)F)C2)CC1 ZINC000418748204 559413731 /nfs/dbraw/zinc/41/37/31/559413731.db2.gz KKTYNKXWHHVBOD-HOTGVXAUSA-N 1 3 358.477 2.137 20 0 FEADHO C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCN1Cc1ccccc1 ZINC000418751903 559413922 /nfs/dbraw/zinc/41/39/22/559413922.db2.gz FYKZZXSZIYWBKG-NVXWUHKLSA-N 1 3 366.456 2.290 20 0 FEADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000418755478 559414233 /nfs/dbraw/zinc/41/42/33/559414233.db2.gz XNHNQVCZETWIPA-HZPDHXFCSA-N 1 3 358.477 2.281 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1COCc2ccccc21 ZINC000419553793 559447615 /nfs/dbraw/zinc/44/76/15/559447615.db2.gz GMWQPVPUKLOUDZ-QUCCMNQESA-N 1 3 374.529 2.315 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1COCc2ccccc21 ZINC000419553793 559447616 /nfs/dbraw/zinc/44/76/16/559447616.db2.gz GMWQPVPUKLOUDZ-QUCCMNQESA-N 1 3 374.529 2.315 20 0 FEADHO CCOCc1ccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420321571 559480286 /nfs/dbraw/zinc/48/02/86/559480286.db2.gz CVTXBVNKKQQTPI-WOJBJXKFSA-N 1 3 359.514 2.161 20 0 FEADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCCOC1CCCCC1 ZINC000420325467 559480644 /nfs/dbraw/zinc/48/06/44/559480644.db2.gz IKXJJTKVKLIVIY-QZTJIDSGSA-N 1 3 351.535 2.164 20 0 FEADHO C[C@H](c1nc(-c2ccccc2)no1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420327820 559480832 /nfs/dbraw/zinc/48/08/32/559480832.db2.gz ZFVTUMRIVIFYHZ-SJORKVTESA-N 1 3 355.486 2.415 20 0 FEADHO COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000420346044 559482200 /nfs/dbraw/zinc/48/22/00/559482200.db2.gz XHJMEXBVCVKTLW-ARFHVFGLSA-N 1 3 361.486 2.352 20 0 FEADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000420847665 559507521 /nfs/dbraw/zinc/50/75/21/559507521.db2.gz WOZDQCNRCYINKI-PMACEKPBSA-N 1 3 374.529 2.013 20 0 FEADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000420847665 559507522 /nfs/dbraw/zinc/50/75/22/559507522.db2.gz WOZDQCNRCYINKI-PMACEKPBSA-N 1 3 374.529 2.013 20 0 FEADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000420858576 559508129 /nfs/dbraw/zinc/50/81/29/559508129.db2.gz FWMWYJKIIOVUMT-SFHVURJKSA-N 1 3 374.529 2.395 20 0 FEADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000420858576 559508130 /nfs/dbraw/zinc/50/81/30/559508130.db2.gz FWMWYJKIIOVUMT-SFHVURJKSA-N 1 3 374.529 2.395 20 0 FEADHO CCN1CCC([N@@H+]2CCCN([C@H]3CCc4ccccc4NC3=O)CC2)CC1 ZINC000420972407 559515731 /nfs/dbraw/zinc/51/57/31/559515731.db2.gz AUPWHIHZMXFNSD-NRFANRHFSA-N 1 3 370.541 2.432 20 0 FEADHO CCN1CCC([N@H+]2CCCN([C@H]3CCc4ccccc4NC3=O)CC2)CC1 ZINC000420972407 559515732 /nfs/dbraw/zinc/51/57/32/559515732.db2.gz AUPWHIHZMXFNSD-NRFANRHFSA-N 1 3 370.541 2.432 20 0 FEADHO CCN1CCC([N@@H+]2CCCN([C@H](C)C(=O)NC(C)(C)CC)CC2)CC1 ZINC000420985747 559517282 /nfs/dbraw/zinc/51/72/82/559517282.db2.gz WRTFFTLTPLYUDI-QGZVFWFLSA-N 1 3 352.567 2.172 20 0 FEADHO CCN1CCC([N@H+]2CCCN([C@H](C)C(=O)NC(C)(C)CC)CC2)CC1 ZINC000420985747 559517283 /nfs/dbraw/zinc/51/72/83/559517283.db2.gz WRTFFTLTPLYUDI-QGZVFWFLSA-N 1 3 352.567 2.172 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(-n4cncn4)cc3)CC2)CC1 ZINC000421372696 559540465 /nfs/dbraw/zinc/54/04/65/559540465.db2.gz LJTODZPPVTUSLB-UHFFFAOYSA-N 1 3 368.529 2.259 20 0 FEADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(-n4cncn4)cc3)CC2)CC1 ZINC000421372696 559540466 /nfs/dbraw/zinc/54/04/66/559540466.db2.gz LJTODZPPVTUSLB-UHFFFAOYSA-N 1 3 368.529 2.259 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)C3(Oc4ccccc4)CC3)CC2)CC1 ZINC000421755649 559552126 /nfs/dbraw/zinc/55/21/26/559552126.db2.gz HECHBHTVUOEALU-UHFFFAOYSA-N 1 3 357.498 2.273 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC3CCC([NH+](C)C)CC3)cc2)CC1 ZINC000422006589 559560164 /nfs/dbraw/zinc/56/01/64/559560164.db2.gz MDIYHRMDJRSJQH-UHFFFAOYSA-N 1 3 358.530 2.431 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2cnn(-c3ccccc3)c2)CC[NH2+]CC1 ZINC000422817091 559607417 /nfs/dbraw/zinc/60/74/17/559607417.db2.gz CFWKEAVPDVCLDB-INIZCTEOSA-N 1 3 356.470 2.283 20 0 FEADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422831971 559607858 /nfs/dbraw/zinc/60/78/58/559607858.db2.gz XBUHXOASQBVTRL-UMVBOHGHSA-N 1 3 369.893 2.328 20 0 FEADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000422831971 559607859 /nfs/dbraw/zinc/60/78/59/559607859.db2.gz XBUHXOASQBVTRL-UMVBOHGHSA-N 1 3 369.893 2.328 20 0 FEADHO CCN1CCN(c2ccc(CN[C@@H](Cc3ccccc3)[C@@H](C)[NH3+])cn2)CC1 ZINC000422874557 559609288 /nfs/dbraw/zinc/60/92/88/559609288.db2.gz AJSDYNUCLMPIDO-NQIIRXRSSA-N 1 3 367.541 2.272 20 0 FEADHO CCN1CCN(c2ccc(C[NH2+][C@@H](Cc3ccccc3)[C@@H](C)N)cn2)CC1 ZINC000422874557 559609289 /nfs/dbraw/zinc/60/92/89/559609289.db2.gz AJSDYNUCLMPIDO-NQIIRXRSSA-N 1 3 367.541 2.272 20 0 FEADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)COc1ccc2c(c1)OCO2 ZINC000422903271 559610646 /nfs/dbraw/zinc/61/06/46/559610646.db2.gz VWUNNMJAMVFVJI-NRSFXHEJSA-N 1 3 362.470 2.055 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000422928730 559611630 /nfs/dbraw/zinc/61/16/30/559611630.db2.gz MGZSXMKTDNKVHV-QZTJIDSGSA-N 1 3 353.532 2.467 20 0 FEADHO O=C(CCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422959702 559613158 /nfs/dbraw/zinc/61/31/58/559613158.db2.gz TZHJMLDVSZVYMA-IPMKNSEASA-N 1 3 357.498 2.103 20 0 FEADHO Clc1cccc2c1CCN(CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000423064703 559617132 /nfs/dbraw/zinc/61/71/32/559617132.db2.gz ZODHKIAXYOQUHS-MISYRCLQSA-N 1 3 363.933 2.445 20 0 FEADHO CCN(C(=O)COC1CC[NH2+]CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000423359731 559626680 /nfs/dbraw/zinc/62/66/80/559626680.db2.gz VPEFRYPEEWTJTI-IEBWSBKVSA-N 1 3 359.514 2.439 20 0 FEADHO COc1ccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1OC ZINC000423390481 559627656 /nfs/dbraw/zinc/62/76/56/559627656.db2.gz OKRNCCRCPNMFCM-WBMJQRKESA-N 1 3 361.408 2.191 20 0 FEADHO CC(C)(C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H](N)c1ccccc1 ZINC000423415150 559628482 /nfs/dbraw/zinc/62/84/82/559628482.db2.gz OSQRIOMXPYXXIC-APWZRJJASA-N 1 3 359.514 2.330 20 0 FEADHO Cn1ccc([C@H](NC2CCC([NH+]3CCNCC3)CC2)c2ccc(F)cc2)n1 ZINC000423524530 559631157 /nfs/dbraw/zinc/63/11/57/559631157.db2.gz XIVBJCIYJXQDSY-GZNCHQMQSA-N 1 3 371.504 2.455 20 0 FEADHO Cn1ccc([C@H](NC2CCC(N3CC[NH2+]CC3)CC2)c2ccc(F)cc2)n1 ZINC000423524530 559631158 /nfs/dbraw/zinc/63/11/58/559631158.db2.gz XIVBJCIYJXQDSY-GZNCHQMQSA-N 1 3 371.504 2.455 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000423793805 559639692 /nfs/dbraw/zinc/63/96/92/559639692.db2.gz JHIBEBIVYDBCPC-AZUAARDMSA-N 1 3 352.482 2.104 20 0 FEADHO NC(C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC000423847162 559642695 /nfs/dbraw/zinc/64/26/95/559642695.db2.gz LUULVQQIJUGZDQ-HNNXBMFYSA-N 1 3 355.404 2.391 20 0 FEADHO NC(C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC000423847162 559642696 /nfs/dbraw/zinc/64/26/96/559642696.db2.gz LUULVQQIJUGZDQ-HNNXBMFYSA-N 1 3 355.404 2.391 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cc2)CC1 ZINC000424079066 559654087 /nfs/dbraw/zinc/65/40/87/559654087.db2.gz TZUWVKDFWLJUSJ-SCTDSRPQSA-N 1 3 358.530 2.274 20 0 FEADHO C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424293743 559660935 /nfs/dbraw/zinc/66/09/35/559660935.db2.gz PWKKBPWPMQKLAX-GJZGRUSLSA-N 1 3 365.468 2.476 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)NCc2ccnc(OCCN(C)C)c2)c1 ZINC000424417431 559663693 /nfs/dbraw/zinc/66/36/93/559663693.db2.gz AEXPKVIYDQPPSF-UHFFFAOYSA-N 1 3 357.458 2.111 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000424444033 559665394 /nfs/dbraw/zinc/66/53/94/559665394.db2.gz YXXMGPTZAZHUJN-OAHLLOKOSA-N 1 3 360.502 2.021 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000424444033 559665395 /nfs/dbraw/zinc/66/53/95/559665395.db2.gz YXXMGPTZAZHUJN-OAHLLOKOSA-N 1 3 360.502 2.021 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000426312259 559732497 /nfs/dbraw/zinc/73/24/97/559732497.db2.gz ILALBLLUQQZBHF-OAHLLOKOSA-N 1 3 358.477 2.422 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426950840 559744790 /nfs/dbraw/zinc/74/47/90/559744790.db2.gz IESGJHIFDVRKDY-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426950840 559744791 /nfs/dbraw/zinc/74/47/91/559744791.db2.gz IESGJHIFDVRKDY-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO CCN1CCCN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000428689671 559781268 /nfs/dbraw/zinc/78/12/68/559781268.db2.gz IHSBLLFXQPOKPP-UHFFFAOYSA-N 1 3 374.529 2.398 20 0 FEADHO [NH3+]C[C@H]1CCN(CCCOc2cccc(I)c2)C1 ZINC000430954338 559831385 /nfs/dbraw/zinc/83/13/85/559831385.db2.gz JCQHDEPUGDJATI-GFCCVEGCSA-N 1 3 360.239 2.341 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433125041 559872528 /nfs/dbraw/zinc/87/25/28/559872528.db2.gz HVYZJVCORSDSHL-YLJYHZDGSA-N 1 3 358.530 2.141 20 0 FEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433334354 559877238 /nfs/dbraw/zinc/87/72/38/559877238.db2.gz HHVFGGZGIJRGOT-ZWKOTPCHSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433334354 559877239 /nfs/dbraw/zinc/87/72/39/559877239.db2.gz HHVFGGZGIJRGOT-ZWKOTPCHSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@H]1C[N@H+](CCCNC(=O)N2CCN(CCC(C)(C)C)CC2)CCCO1 ZINC000433457048 559881829 /nfs/dbraw/zinc/88/18/29/559881829.db2.gz OGDCVTIULVEEOC-SFHVURJKSA-N 1 3 368.566 2.251 20 0 FEADHO C[C@H]1C[N@@H+](CCCNC(=O)N2CCN(CCC(C)(C)C)CC2)CCCO1 ZINC000433457048 559881830 /nfs/dbraw/zinc/88/18/30/559881830.db2.gz OGDCVTIULVEEOC-SFHVURJKSA-N 1 3 368.566 2.251 20 0 FEADHO CCN(CCC[NH+]1CCCC1)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433460326 559882183 /nfs/dbraw/zinc/88/21/83/559882183.db2.gz QBZRGVAWILPYAD-SFHVURJKSA-N 1 3 354.539 2.005 20 0 FEADHO CN1CCN(CC[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC1(C)C ZINC000441354621 560029448 /nfs/dbraw/zinc/02/94/48/560029448.db2.gz FJZSLLWCIBSWKK-HXUWFJFHSA-N 1 3 361.530 2.360 20 0 FEADHO CN1CCN(CC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1(C)C ZINC000442868863 560060131 /nfs/dbraw/zinc/06/01/31/560060131.db2.gz DCMAGICFLUJUQK-FQEVSTJZSA-N 1 3 353.514 2.376 20 0 FEADHO COCCN(C)CCCNC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000442874606 560060555 /nfs/dbraw/zinc/06/05/55/560060555.db2.gz RFEJOAKCKQIZJI-IFMALSPDSA-N 1 3 373.541 2.373 20 0 FEADHO COCCN(C)CCCNC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000442874606 560060556 /nfs/dbraw/zinc/06/05/56/560060556.db2.gz RFEJOAKCKQIZJI-IFMALSPDSA-N 1 3 373.541 2.373 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1F ZINC000443057577 560068291 /nfs/dbraw/zinc/06/82/91/560068291.db2.gz HDKGQUKKOKEPLZ-CABCVRRESA-N 1 3 351.466 2.242 20 0 FEADHO CCC[C@@]1(CO)CCCN1CC1(C[N@@H+]2CCC[C@]2(CO)CCC)COC1 ZINC000444768207 560120258 /nfs/dbraw/zinc/12/02/58/560120258.db2.gz SQIINKAVTQBTLD-SFTDATJTSA-N 1 3 368.562 2.257 20 0 FEADHO CCC[C@@]1(CO)CCCN1CC1(C[N@H+]2CCC[C@]2(CO)CCC)COC1 ZINC000444768207 560120259 /nfs/dbraw/zinc/12/02/59/560120259.db2.gz SQIINKAVTQBTLD-SFTDATJTSA-N 1 3 368.562 2.257 20 0 FEADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446054374 560138766 /nfs/dbraw/zinc/13/87/66/560138766.db2.gz OFOGQHKQXIPBCT-IAGOWNOFSA-N 1 3 374.529 2.108 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000446260302 560142853 /nfs/dbraw/zinc/14/28/53/560142853.db2.gz LWSSWXJFUNVCJA-NNMXDRDESA-N 1 3 371.525 2.431 20 0 FEADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446612811 560148394 /nfs/dbraw/zinc/14/83/94/560148394.db2.gz DJOKVBDZIBBZEX-UHFFFAOYSA-N 1 3 359.518 2.424 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448033263 560176342 /nfs/dbraw/zinc/17/63/42/560176342.db2.gz YVDBEHYUEKRGFY-ZWKOTPCHSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@@H](C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)N1CCN(C)CC1 ZINC000449133251 560217424 /nfs/dbraw/zinc/21/74/24/560217424.db2.gz CYMIOTBJCSWLBK-PMACEKPBSA-N 1 3 358.574 2.308 20 0 FEADHO C[C@@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)N1CCN(C)CC1 ZINC000449133251 560217425 /nfs/dbraw/zinc/21/74/25/560217425.db2.gz CYMIOTBJCSWLBK-PMACEKPBSA-N 1 3 358.574 2.308 20 0 FEADHO C[C@@H](C[NH2+]CCCCN1CCN(CCO)CC1)c1cc(F)cc(F)c1 ZINC000449147388 560218101 /nfs/dbraw/zinc/21/81/01/560218101.db2.gz GNEYXSHCIKPDGE-INIZCTEOSA-N 1 3 355.473 2.048 20 0 FEADHO CN(C)[C@H](CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)Cc1ccccc1 ZINC000449311864 560224758 /nfs/dbraw/zinc/22/47/58/560224758.db2.gz NZGTWNCLECDHKL-UNMCSNQZSA-N 1 3 351.494 2.207 20 0 FEADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000449540755 560233068 /nfs/dbraw/zinc/23/30/68/560233068.db2.gz YDVKIDPHYRERLA-CZUORRHYSA-N 1 3 357.420 2.451 20 0 FEADHO C[C@@H](c1ccccc1)[C@H](O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000450628152 560268606 /nfs/dbraw/zinc/26/86/06/560268606.db2.gz VRKOCJJDISVQBC-CZQHHMOHSA-N 1 3 357.542 2.394 20 0 FEADHO C[C@@H](c1ccccc1)[C@H](O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000450628152 560268607 /nfs/dbraw/zinc/26/86/07/560268607.db2.gz VRKOCJJDISVQBC-CZQHHMOHSA-N 1 3 357.542 2.394 20 0 FEADHO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(CN4C[C@@H]5CC[C@H](O)[C@@H]5C4)c3)C[C@@H]12 ZINC000450707865 560270993 /nfs/dbraw/zinc/27/09/93/560270993.db2.gz BTQCYMLZSYJUFP-GLRKRQQVSA-N 1 3 374.500 2.231 20 0 FEADHO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(CN4C[C@@H]5CC[C@H](O)[C@@H]5C4)c3)C[C@@H]12 ZINC000450707865 560270994 /nfs/dbraw/zinc/27/09/94/560270994.db2.gz BTQCYMLZSYJUFP-GLRKRQQVSA-N 1 3 374.500 2.231 20 0 FEADHO CC[C@H](C)N1CCN([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000451843439 560331946 /nfs/dbraw/zinc/33/19/46/560331946.db2.gz NVWFYLLTQHGUAK-IRFCIJBXSA-N 1 3 372.557 2.182 20 0 FEADHO CC[C@H](C)N1CCN([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000451843439 560331947 /nfs/dbraw/zinc/33/19/47/560331947.db2.gz NVWFYLLTQHGUAK-IRFCIJBXSA-N 1 3 372.557 2.182 20 0 FEADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(Cc4ccccc4)CCC3(F)F)C[C@@H]21 ZINC000452961511 560379275 /nfs/dbraw/zinc/37/92/75/560379275.db2.gz ATABKLRPMOLDJP-KURKYZTESA-N 1 3 363.452 2.306 20 0 FEADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(Cc4ccccc4)CCC3(F)F)C[C@@H]21 ZINC000452961511 560379276 /nfs/dbraw/zinc/37/92/76/560379276.db2.gz ATABKLRPMOLDJP-KURKYZTESA-N 1 3 363.452 2.306 20 0 FEADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)Cc3cnccn3)cc2)CC1 ZINC000453057412 560382662 /nfs/dbraw/zinc/38/26/62/560382662.db2.gz DZDDRXCYFPWPNG-GOSISDBHSA-N 1 3 353.514 2.335 20 0 FEADHO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000453071057 560382735 /nfs/dbraw/zinc/38/27/35/560382735.db2.gz QFGHPYIVTCXEJF-OAQYLSRUSA-N 1 3 355.530 2.445 20 0 FEADHO c1ccc(C[N@H+]2CC[C@H](NCCNc3cnccn3)[C@H]3CCC[C@H]32)cc1 ZINC000453127949 560383661 /nfs/dbraw/zinc/38/36/61/560383661.db2.gz CSWNNKBHBQFYGC-HSALFYBXSA-N 1 3 351.498 2.921 20 0 FEADHO c1ccc(C[N@@H+]2CC[C@H](NCCNc3cnccn3)[C@H]3CCC[C@H]32)cc1 ZINC000453127949 560383662 /nfs/dbraw/zinc/38/36/62/560383662.db2.gz CSWNNKBHBQFYGC-HSALFYBXSA-N 1 3 351.498 2.921 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)Cc2cccc(F)c2)[C@H](C)C1 ZINC000453233216 560384647 /nfs/dbraw/zinc/38/46/47/560384647.db2.gz HMZTZULZKJTCHR-AHRSYUTCSA-N 1 3 352.494 2.456 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)Cc2cccc(F)c2)[C@H](C)C1 ZINC000453233216 560384648 /nfs/dbraw/zinc/38/46/48/560384648.db2.gz HMZTZULZKJTCHR-AHRSYUTCSA-N 1 3 352.494 2.456 20 0 FEADHO COc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)N2CCCC2)cc1 ZINC000457433789 560566665 /nfs/dbraw/zinc/56/66/65/560566665.db2.gz KNYFBOGBAACHAX-YSIASYRMSA-N 1 3 372.513 2.178 20 0 FEADHO CCC(CC)[C@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)[NH+]1CCCC1 ZINC000457612221 560577813 /nfs/dbraw/zinc/57/78/13/560577813.db2.gz LDSXASFPZBNGGW-MOPGFXCFSA-N 1 3 368.566 2.033 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NCCCCC[NH+]2CCCC2)CCCO1 ZINC000458713786 560643193 /nfs/dbraw/zinc/64/31/93/560643193.db2.gz IEKDJADHPJDMDG-GOSISDBHSA-N 1 3 354.539 2.053 20 0 FEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000458904043 560655161 /nfs/dbraw/zinc/65/51/61/560655161.db2.gz BHZJXVIEUGAXMA-OALUTQOASA-N 1 3 368.566 2.249 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCOC(C)(C)C1 ZINC000459137554 560669408 /nfs/dbraw/zinc/66/94/08/560669408.db2.gz MYGBQMFJJIIFOQ-MSOLQXFVSA-N 1 3 368.566 2.249 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCOC(C)(C)C1 ZINC000459137554 560669410 /nfs/dbraw/zinc/66/94/10/560669410.db2.gz MYGBQMFJJIIFOQ-MSOLQXFVSA-N 1 3 368.566 2.249 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@@H](OC)C12CCC2 ZINC000459283849 560677497 /nfs/dbraw/zinc/67/74/97/560677497.db2.gz DLIQYZLGCSMPRI-FGTMMUONSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@@H](OC)C12CCC2 ZINC000459283849 560677499 /nfs/dbraw/zinc/67/74/99/560677499.db2.gz DLIQYZLGCSMPRI-FGTMMUONSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H]1CN(c2ccccc2CN2CCC(OCC[NH+](C)C)CC2)CCO1 ZINC000459351314 560681583 /nfs/dbraw/zinc/68/15/83/560681583.db2.gz PDYMJPZUQANDGN-GOSISDBHSA-N 1 3 361.530 2.454 20 0 FEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000462088578 560796298 /nfs/dbraw/zinc/79/62/98/560796298.db2.gz NYWMQLLAWBNDTA-GOSISDBHSA-N 1 3 351.535 2.402 20 0 FEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000462088578 560796300 /nfs/dbraw/zinc/79/63/00/560796300.db2.gz NYWMQLLAWBNDTA-GOSISDBHSA-N 1 3 351.535 2.402 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCc1nccs1 ZINC000462231087 560802556 /nfs/dbraw/zinc/80/25/56/560802556.db2.gz WHYAURUVPBYSQP-MRXNPFEDSA-N 1 3 367.563 2.133 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCc1nccs1 ZINC000462231087 560802557 /nfs/dbraw/zinc/80/25/57/560802557.db2.gz WHYAURUVPBYSQP-MRXNPFEDSA-N 1 3 367.563 2.133 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCOc1ccccc1 ZINC000465410258 560864979 /nfs/dbraw/zinc/86/49/79/560864979.db2.gz NKPFYVSDRYOFOI-SFHVURJKSA-N 1 3 362.518 2.123 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCOc1ccccc1 ZINC000465410258 560864980 /nfs/dbraw/zinc/86/49/80/560864980.db2.gz NKPFYVSDRYOFOI-SFHVURJKSA-N 1 3 362.518 2.123 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000465608689 560869686 /nfs/dbraw/zinc/86/96/86/560869686.db2.gz TZPFNLWSYYUOQO-OALUTQOASA-N 1 3 368.566 2.393 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000465608689 560869687 /nfs/dbraw/zinc/86/96/87/560869687.db2.gz TZPFNLWSYYUOQO-OALUTQOASA-N 1 3 368.566 2.393 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000466011070 560878107 /nfs/dbraw/zinc/87/81/07/560878107.db2.gz BQBGPTRCOCVOER-IAGOWNOFSA-N 1 3 356.555 2.105 20 0 FEADHO O=S(=O)(NCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000467414968 560909780 /nfs/dbraw/zinc/90/97/80/560909780.db2.gz XKUCBZWQMBNQQK-LSDHHAIUSA-N 1 3 371.934 2.225 20 0 FEADHO O=S(=O)(NCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000467414968 560909781 /nfs/dbraw/zinc/90/97/81/560909781.db2.gz XKUCBZWQMBNQQK-LSDHHAIUSA-N 1 3 371.934 2.225 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000468416754 560929287 /nfs/dbraw/zinc/92/92/87/560929287.db2.gz CBRNEFJARNZDDE-FQEVSTJZSA-N 1 3 372.557 2.498 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000468416754 560929288 /nfs/dbraw/zinc/92/92/88/560929288.db2.gz CBRNEFJARNZDDE-FQEVSTJZSA-N 1 3 372.557 2.498 20 0 FEADHO C[C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)N1CCCCCC1 ZINC000470118426 560974651 /nfs/dbraw/zinc/97/46/51/560974651.db2.gz XYJWEMBDYOTOCN-GOSISDBHSA-N 1 3 351.535 2.354 20 0 FEADHO C[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N1CCC[C@@H](C)C1 ZINC000470734535 560988207 /nfs/dbraw/zinc/98/82/07/560988207.db2.gz AWRYCVNKLUYWMY-LMMKCTJWSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N1CCC[C@@H](C)C1 ZINC000470734535 560988208 /nfs/dbraw/zinc/98/82/08/560988208.db2.gz AWRYCVNKLUYWMY-LMMKCTJWSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N1CCC[C@@H](C)C1 ZINC000470734536 560988274 /nfs/dbraw/zinc/98/82/74/560988274.db2.gz AWRYCVNKLUYWMY-ZHALLVOQSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N1CCC[C@@H](C)C1 ZINC000470734536 560988275 /nfs/dbraw/zinc/98/82/75/560988275.db2.gz AWRYCVNKLUYWMY-ZHALLVOQSA-N 1 3 350.551 2.480 20 0 FEADHO O=C(CCN1CCc2ccccc2C1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000471388012 561003680 /nfs/dbraw/zinc/00/36/80/561003680.db2.gz MPKBRJZKXCINJO-SFHVURJKSA-N 1 3 371.525 2.052 20 0 FEADHO C[N@@H+]1CCCC[C@@H]1CCN1CCN(CCCOCC(F)(F)F)CC1 ZINC000472745665 561034402 /nfs/dbraw/zinc/03/44/02/561034402.db2.gz DXBQWYMTISUGDB-MRXNPFEDSA-N 1 3 351.457 2.447 20 0 FEADHO C[N@H+]1CCCC[C@@H]1CCN1CCN(CCCOCC(F)(F)F)CC1 ZINC000472745665 561034403 /nfs/dbraw/zinc/03/44/03/561034403.db2.gz DXBQWYMTISUGDB-MRXNPFEDSA-N 1 3 351.457 2.447 20 0 FEADHO O=C(CC[N@@H+]1CCc2ccccc2C1)N1CCN(CC2CCOCC2)CC1 ZINC000473213601 561044490 /nfs/dbraw/zinc/04/44/90/561044490.db2.gz LJRQAPFTUJAFFX-UHFFFAOYSA-N 1 3 371.525 2.006 20 0 FEADHO O=C(CC[N@H+]1CCc2ccccc2C1)N1CCN(CC2CCOCC2)CC1 ZINC000473213601 561044491 /nfs/dbraw/zinc/04/44/91/561044491.db2.gz LJRQAPFTUJAFFX-UHFFFAOYSA-N 1 3 371.525 2.006 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000476482287 561120599 /nfs/dbraw/zinc/12/05/99/561120599.db2.gz COBRMFVNAHLHSZ-MOPGFXCFSA-N 1 3 368.566 2.297 20 0 FEADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCN(CCOC)C1 ZINC000528474021 562331069 /nfs/dbraw/zinc/33/10/69/562331069.db2.gz NRHYMBNZVYLEGT-QHAWAJNXSA-N 1 3 373.541 2.372 20 0 FEADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCN(CCOC)C1 ZINC000528474021 562331070 /nfs/dbraw/zinc/33/10/70/562331070.db2.gz NRHYMBNZVYLEGT-QHAWAJNXSA-N 1 3 373.541 2.372 20 0 FEADHO CC[NH+]1CCN(c2cccc(NC(=O)N3CCNC[C@@H]3C(C)C)c2)CC1 ZINC000528692271 562342341 /nfs/dbraw/zinc/34/23/41/562342341.db2.gz WOBIIFDOPPVXGG-LJQANCHMSA-N 1 3 359.518 2.290 20 0 FEADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)NC1CCN(CCc2ccccc2)CC1 ZINC000529290583 562367586 /nfs/dbraw/zinc/36/75/86/562367586.db2.gz SOWBMJUSIJWSDO-LJQANCHMSA-N 1 3 356.514 2.277 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@H]3CCCOC3)CC2)CC1 ZINC000529607631 562378635 /nfs/dbraw/zinc/37/86/35/562378635.db2.gz ZXIQLUJYNGEWGK-KRWDZBQOSA-N 1 3 351.535 2.116 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3[C@@H](C)[C@@H](C)O[C@H]3C)CC2)CC1 ZINC000529978647 562393471 /nfs/dbraw/zinc/39/34/71/562393471.db2.gz LXJWFSGXCUNXRO-RCJHGTSTSA-N 1 3 351.535 2.111 20 0 FEADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242905 562403953 /nfs/dbraw/zinc/40/39/53/562403953.db2.gz VSIMMEIRQGBWBT-APWZRJJASA-N 1 3 351.535 2.257 20 0 FEADHO c1ccc(-c2noc(CCN3CCC(CO[C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000530242468 562404034 /nfs/dbraw/zinc/40/40/34/562404034.db2.gz STZJEVVPONHYDI-SFHVURJKSA-N 1 3 356.470 2.370 20 0 FEADHO C[N@@H+]1CC[C@@H](C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000530653468 562419204 /nfs/dbraw/zinc/41/92/04/562419204.db2.gz IWCFGACYOCLJBJ-LJQANCHMSA-N 1 3 359.514 2.126 20 0 FEADHO C[N@H+]1CC[C@@H](C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000530653468 562419205 /nfs/dbraw/zinc/41/92/05/562419205.db2.gz IWCFGACYOCLJBJ-LJQANCHMSA-N 1 3 359.514 2.126 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531043537 562432784 /nfs/dbraw/zinc/43/27/84/562432784.db2.gz OCCBJNVRJIEOMW-RXVVDRJESA-N 1 3 359.514 2.004 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531043537 562432785 /nfs/dbraw/zinc/43/27/85/562432785.db2.gz OCCBJNVRJIEOMW-RXVVDRJESA-N 1 3 359.514 2.004 20 0 FEADHO COc1cc(C[C@@H](CO)CNC2CC[NH+](C(C)C)CC2)cc(OC)c1 ZINC000531993702 562463419 /nfs/dbraw/zinc/46/34/19/562463419.db2.gz ZPGDYFINJIVKCP-QGZVFWFLSA-N 1 3 350.503 2.317 20 0 FEADHO O=C(NCCNc1cc[nH+]cc1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000534523948 562535988 /nfs/dbraw/zinc/53/59/88/562535988.db2.gz AZDKNRKVKBZXKV-IBGZPJMESA-N 1 3 353.470 2.052 20 0 FEADHO CCc1ccc([C@H](CNC(=O)NCCNc2cc[nH+]cc2)N(C)C)cc1 ZINC000535262742 562554559 /nfs/dbraw/zinc/55/45/59/562554559.db2.gz WNUALMFQCMTMBF-IBGZPJMESA-N 1 3 355.486 2.080 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1N(C)C ZINC000535539768 562560768 /nfs/dbraw/zinc/56/07/68/562560768.db2.gz WSUNGRVEOSNJGZ-GUDVDZBRSA-N 1 3 361.555 2.403 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1N(C)C ZINC000535539768 562560769 /nfs/dbraw/zinc/56/07/69/562560769.db2.gz WSUNGRVEOSNJGZ-GUDVDZBRSA-N 1 3 361.555 2.403 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)CC[S@@](C)=O)CC1 ZINC000537324254 562589625 /nfs/dbraw/zinc/58/96/25/562589625.db2.gz UTPYXRIRTUIGLP-BXKMTCNYSA-N 1 3 351.560 2.465 20 0 FEADHO CN1CCC[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000601894042 567875418 /nfs/dbraw/zinc/87/54/18/567875418.db2.gz HQHJNLFEEHFVCU-MRXNPFEDSA-N 1 3 354.564 2.132 20 0 FEADHO CCOC(=O)c1cc(CNCC2CC[NH+](Cc3ccncc3)CC2)on1 ZINC000602710730 568018947 /nfs/dbraw/zinc/01/89/47/568018947.db2.gz YFYADNWTIAMWJT-UHFFFAOYSA-N 1 3 358.442 2.248 20 0 FEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000605973987 568047187 /nfs/dbraw/zinc/04/71/87/568047187.db2.gz MYPOVXBUEDWEJX-HDICACEKSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000605973987 568047188 /nfs/dbraw/zinc/04/71/88/568047188.db2.gz MYPOVXBUEDWEJX-HDICACEKSA-N 1 3 366.550 2.003 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000604169762 568220924 /nfs/dbraw/zinc/22/09/24/568220924.db2.gz NYPLPHRCMNKVEU-SFHVURJKSA-N 1 3 374.529 2.443 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000623071579 568238012 /nfs/dbraw/zinc/23/80/12/568238012.db2.gz KIRXAQZLYZPKEE-LNLFQRSKSA-N 1 3 360.502 2.498 20 0 FEADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000563134934 568266926 /nfs/dbraw/zinc/26/69/26/568266926.db2.gz AOCIOVMJKFDYLU-GJZGRUSLSA-N 1 3 355.910 2.266 20 0 FEADHO C[NH2+]CCOCCN[C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000629529424 676858425 /nfs/dbraw/zinc/85/84/25/676858425.db2.gz CGAXDAKLCPRNPW-CVEARBPZSA-N 1 3 357.292 2.495 20 0 FEADHO CSC1(CNC(=O)NCCN(C)Cc2ccccc2)CC[NH+](C)CC1 ZINC000558604985 674506413 /nfs/dbraw/zinc/50/64/13/674506413.db2.gz BBDWAAMZJAUZJJ-UHFFFAOYSA-N 1 3 364.559 2.245 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810366921 674542040 /nfs/dbraw/zinc/54/20/40/674542040.db2.gz SRSJXDCROOMGME-IBGZPJMESA-N 1 3 357.514 2.205 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810366921 674542041 /nfs/dbraw/zinc/54/20/41/674542041.db2.gz SRSJXDCROOMGME-IBGZPJMESA-N 1 3 357.514 2.205 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](CNCc3cscn3)CC2)CC[N@@H+]1C ZINC001048608530 675012013 /nfs/dbraw/zinc/01/20/13/675012013.db2.gz WUDRCAJFWRSSGJ-YFHUEUNASA-N 1 3 364.559 2.496 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](CNCc3cscn3)CC2)CC[N@H+]1C ZINC001048608530 675012021 /nfs/dbraw/zinc/01/20/21/675012021.db2.gz WUDRCAJFWRSSGJ-YFHUEUNASA-N 1 3 364.559 2.496 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC1(N2CCSCC2)CCCC1 ZINC000041746374 670150322 /nfs/dbraw/zinc/15/03/22/670150322.db2.gz YPTUWXCWJPKDCN-MRXNPFEDSA-N 1 3 370.632 2.296 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NCC1(N2CCSCC2)CCCC1 ZINC000041746374 670150324 /nfs/dbraw/zinc/15/03/24/670150324.db2.gz YPTUWXCWJPKDCN-MRXNPFEDSA-N 1 3 370.632 2.296 20 0 FEADHO O[C@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)COc1ccccc1Cl ZINC000565712327 675145448 /nfs/dbraw/zinc/14/54/48/675145448.db2.gz PFOQJJUBWRYMQF-NVXWUHKLSA-N 1 3 368.905 2.170 20 0 FEADHO C[C@H](N[C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000565884012 675158027 /nfs/dbraw/zinc/15/80/27/675158027.db2.gz WMBAHRMYVMMNAB-GJZGRUSLSA-N 1 3 354.516 2.243 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000573729114 671157438 /nfs/dbraw/zinc/15/74/38/671157438.db2.gz OYBXGSMQHFNFCR-IEBWSBKVSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000573729114 671157440 /nfs/dbraw/zinc/15/74/40/671157440.db2.gz OYBXGSMQHFNFCR-IEBWSBKVSA-N 1 3 351.535 2.258 20 0 FEADHO CC[C@H](C)[C@H](CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)OC ZINC000574171657 671211509 /nfs/dbraw/zinc/21/15/09/671211509.db2.gz OSJXYNUCLSRAMW-LPHOPBHVSA-N 1 3 353.551 2.360 20 0 FEADHO C[C@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000574188390 671212619 /nfs/dbraw/zinc/21/26/19/671212619.db2.gz JLEDYYKKXGULPB-QFBILLFUSA-N 1 3 365.543 2.208 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@](C)(COC)C3)CC2)CC1 ZINC000576714687 671389267 /nfs/dbraw/zinc/38/92/67/671389267.db2.gz DBEIISUDRYEVIN-FQEVSTJZSA-N 1 3 351.535 2.068 20 0 FEADHO Brc1cccc(OC2CCN(CCN3CC[NH2+]CC3)CC2)c1 ZINC000576989421 671409256 /nfs/dbraw/zinc/40/92/56/671409256.db2.gz ZDNNHLMBRFIMRW-UHFFFAOYSA-N 1 3 368.319 2.198 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)OC(C)(C)C3)CC2)CC1 ZINC000577236961 671426400 /nfs/dbraw/zinc/42/64/00/671426400.db2.gz BHLQGGYJMVRCDD-INIZCTEOSA-N 1 3 351.535 2.209 20 0 FEADHO C[C@@H]([NH2+]CC1(N)CCC1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000579110251 671712859 /nfs/dbraw/zinc/71/28/59/671712859.db2.gz BQRJNEQPARRNCD-GFCCVEGCSA-N 1 3 354.292 2.267 20 0 FEADHO C[C@H]1CN(CCC2CCN(C(=O)CCCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000580810172 671835524 /nfs/dbraw/zinc/83/55/24/671835524.db2.gz AYJDLWKVUALVKN-ROUUACIJSA-N 1 3 353.551 2.456 20 0 FEADHO O=S(=O)(CCNC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000581355718 671888259 /nfs/dbraw/zinc/88/82/59/671888259.db2.gz NPBWERNGRFHVBD-UHFFFAOYSA-N 1 3 363.458 2.253 20 0 FEADHO C[NH2+]C[C@](C)(O)CN1CCC(CCc2cc(OC)cc(OC)c2)CC1 ZINC000584118024 672157905 /nfs/dbraw/zinc/15/79/05/672157905.db2.gz DMAGMEIHBWYFEO-FQEVSTJZSA-N 1 3 350.503 2.319 20 0 FEADHO CC(C)[N@@H+]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000590159713 672562460 /nfs/dbraw/zinc/56/24/60/672562460.db2.gz RNSAFYYREWTSSM-UHFFFAOYSA-N 1 3 368.591 2.474 20 0 FEADHO CC(C)[N@H+]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000590159713 672562464 /nfs/dbraw/zinc/56/24/64/672562464.db2.gz RNSAFYYREWTSSM-UHFFFAOYSA-N 1 3 368.591 2.474 20 0 FEADHO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000715557524 673073845 /nfs/dbraw/zinc/07/38/45/673073845.db2.gz JNPLUQBHVZPNMS-YLFCFFPRSA-N 1 3 355.523 2.473 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000715557524 673073848 /nfs/dbraw/zinc/07/38/48/673073848.db2.gz JNPLUQBHVZPNMS-YLFCFFPRSA-N 1 3 355.523 2.473 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000483121932 673322460 /nfs/dbraw/zinc/32/24/60/673322460.db2.gz BIWQKKQGKFEKOB-SFHVURJKSA-N 1 3 367.534 2.342 20 0 FEADHO CSCC[C@@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000595946127 673342556 /nfs/dbraw/zinc/34/25/56/673342556.db2.gz IZDFQQUPBTYPSD-ZWKOTPCHSA-N 1 3 361.555 2.485 20 0 FEADHO CSCC[C@@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595946127 673342557 /nfs/dbraw/zinc/34/25/57/673342557.db2.gz IZDFQQUPBTYPSD-ZWKOTPCHSA-N 1 3 361.555 2.485 20 0 FEADHO CC1=CCN(CCNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000547269839 673838861 /nfs/dbraw/zinc/83/88/61/673838861.db2.gz DCJSOHRTAYNPOO-UHFFFAOYSA-N 1 3 366.575 2.299 20 0 FEADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1F ZINC000819175089 675266482 /nfs/dbraw/zinc/26/64/82/675266482.db2.gz UDAYEUNMJAOFHI-IPMKNSEASA-N 1 3 354.441 2.356 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000819182823 675267708 /nfs/dbraw/zinc/26/77/08/675267708.db2.gz QVYBGRRDVPWAJM-QFBILLFUSA-N 1 3 357.539 2.220 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000819182823 675267709 /nfs/dbraw/zinc/26/77/09/675267709.db2.gz QVYBGRRDVPWAJM-QFBILLFUSA-N 1 3 357.539 2.220 20 0 FEADHO CC[C@H](C[C@H](C)CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568195233 675357438 /nfs/dbraw/zinc/35/74/38/675357438.db2.gz ADWJSSXTNGTWJV-FUHWJXTLSA-N 1 3 353.551 2.096 20 0 FEADHO COc1c(F)cc(F)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000821875033 675457871 /nfs/dbraw/zinc/45/78/71/675457871.db2.gz VIMAFFSROPUQMO-LBPRGKRZSA-N 1 3 358.433 2.367 20 0 FEADHO COc1c(F)cc(F)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000821875033 675457872 /nfs/dbraw/zinc/45/78/72/675457872.db2.gz VIMAFFSROPUQMO-LBPRGKRZSA-N 1 3 358.433 2.367 20 0 FEADHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)CC1(C)C ZINC000623495721 676537817 /nfs/dbraw/zinc/53/78/17/676537817.db2.gz PNQZEBAZMWXKAX-HNNXBMFYSA-N 1 3 369.506 2.328 20 0 FEADHO C[NH2+]CCOCCN[C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000629529425 676858280 /nfs/dbraw/zinc/85/82/80/676858280.db2.gz CGAXDAKLCPRNPW-HOTGVXAUSA-N 1 3 357.292 2.495 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC000629667825 676864695 /nfs/dbraw/zinc/86/46/95/676864695.db2.gz XHSGHSOBHFMQGL-CYBMUJFWSA-N 1 3 355.404 2.261 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC000629667825 676864697 /nfs/dbraw/zinc/86/46/97/676864697.db2.gz XHSGHSOBHFMQGL-CYBMUJFWSA-N 1 3 355.404 2.261 20 0 FEADHO Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C2)cc1 ZINC000632952987 677023240 /nfs/dbraw/zinc/02/32/40/677023240.db2.gz NBKVIDIDIHGZIB-CABCVRRESA-N 1 3 358.408 2.148 20 0 FEADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C2)cc1 ZINC000632952988 677023261 /nfs/dbraw/zinc/02/32/61/677023261.db2.gz NBKVIDIDIHGZIB-GJZGRUSLSA-N 1 3 358.408 2.148 20 0 FEADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccsc1 ZINC000635278284 677094473 /nfs/dbraw/zinc/09/44/73/677094473.db2.gz LSNHKWNCGXVVDX-BRWVUGGUSA-N 1 3 351.516 2.110 20 0 FEADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccsc1 ZINC000635278284 677094474 /nfs/dbraw/zinc/09/44/74/677094474.db2.gz LSNHKWNCGXVVDX-BRWVUGGUSA-N 1 3 351.516 2.110 20 0 FEADHO CC1CCN([C@H](CNC(=O)[C@@]2(C[NH3+])CCCOC2)c2cccs2)CC1 ZINC000638051007 677138803 /nfs/dbraw/zinc/13/88/03/677138803.db2.gz WZPVDKMWPFXDNI-VQIMIIECSA-N 1 3 365.543 2.393 20 0 FEADHO CC1CCN([C@@H](CNC(=O)[C@]2(C[NH3+])CCCOC2)c2cccs2)CC1 ZINC000638051005 677138877 /nfs/dbraw/zinc/13/88/77/677138877.db2.gz WZPVDKMWPFXDNI-LPHOPBHVSA-N 1 3 365.543 2.393 20 0 FEADHO CN(C)C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000638664012 677148625 /nfs/dbraw/zinc/14/86/25/677148625.db2.gz KYMIGUOKSKSFSV-DOMZBBRYSA-N 1 3 360.285 2.091 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000638730340 677149464 /nfs/dbraw/zinc/14/94/64/677149464.db2.gz YHCUECWCGANBAS-KRWDZBQOSA-N 1 3 351.535 2.116 20 0 FEADHO CNS(=O)(=O)c1ccc(CN(C)CCCC[NH+]2CCCCC2)cc1 ZINC000640534304 677183193 /nfs/dbraw/zinc/18/31/93/677183193.db2.gz PLLDPOGSSVKNSM-UHFFFAOYSA-N 1 3 353.532 2.293 20 0 FEADHO CCCN(C(=O)NC1CC[NH+](CCOC(C)C)CC1)[C@@H]1CCN(C)C1 ZINC000645342160 677257904 /nfs/dbraw/zinc/25/79/04/677257904.db2.gz OBYZFGWAZQYMBI-GOSISDBHSA-N 1 3 354.539 2.002 20 0 FEADHO CC1CCN([C@H](CNC(=O)COC2(C)C[NH2+]C2)c2cccs2)CC1 ZINC000649278172 677328589 /nfs/dbraw/zinc/32/85/89/677328589.db2.gz QNBCIMVDQWLKCD-OAHLLOKOSA-N 1 3 351.516 2.016 20 0 FEADHO FC1(F)Oc2ccc(CCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2O1 ZINC000650760402 677388492 /nfs/dbraw/zinc/38/84/92/677388492.db2.gz CIZKISHCAHWMPD-QLFBSQMISA-N 1 3 354.397 2.297 20 0 FEADHO CC(C)CC1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000760922534 680705104 /nfs/dbraw/zinc/70/51/04/680705104.db2.gz XAEUVUZJAKQDRL-IBGZPJMESA-N 1 3 353.551 2.218 20 0 FEADHO CC(C)CC1CCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000760922534 680705106 /nfs/dbraw/zinc/70/51/06/680705106.db2.gz XAEUVUZJAKQDRL-IBGZPJMESA-N 1 3 353.551 2.218 20 0 FEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345595 677480382 /nfs/dbraw/zinc/48/03/82/677480382.db2.gz GHXPWNZFJWTFNB-XNIJUTNWSA-N 1 3 351.535 2.098 20 0 FEADHO C[C@H](C(=O)NCCc1cccs1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346927 677480657 /nfs/dbraw/zinc/48/06/57/677480657.db2.gz LMTVMLWTPVPLBX-KYHPRHEASA-N 1 3 365.543 2.014 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC[C@@H]3CCOC3)CC2)CC1 ZINC000655137259 677624594 /nfs/dbraw/zinc/62/45/94/677624594.db2.gz PYUIUJGDAMKEQI-QGZVFWFLSA-N 1 3 351.535 2.116 20 0 FEADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cscn1 ZINC000660573663 678359376 /nfs/dbraw/zinc/35/93/76/678359376.db2.gz KFYUPPLWGGUBEP-CYBMUJFWSA-N 1 3 351.520 2.062 20 0 FEADHO CC(C)OCC[NH+]1CCC(NC(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662487369 678628251 /nfs/dbraw/zinc/62/82/51/678628251.db2.gz AZBVWBWBYAWHLU-UHFFFAOYSA-N 1 3 351.516 2.013 20 0 FEADHO O=C(c1cc2c(s1)CCNC2)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000662484876 678628393 /nfs/dbraw/zinc/62/83/93/678628393.db2.gz NIUMTOGRQVSLJS-UHFFFAOYSA-N 1 3 363.527 2.111 20 0 FEADHO CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1nc(C)cs1 ZINC000664008371 678820588 /nfs/dbraw/zinc/82/05/88/678820588.db2.gz GYXGESGWZRNTFO-ZFWWWQNUSA-N 1 3 355.552 2.474 20 0 FEADHO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1nc(C)cs1 ZINC000664008371 678820593 /nfs/dbraw/zinc/82/05/93/678820593.db2.gz GYXGESGWZRNTFO-ZFWWWQNUSA-N 1 3 355.552 2.474 20 0 FEADHO Cc1csc([C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2CC2)n1 ZINC000664222606 678845756 /nfs/dbraw/zinc/84/57/56/678845756.db2.gz JWQUNZUIIZXHPB-BBRMVZONSA-N 1 3 367.563 2.474 20 0 FEADHO Cc1csc([C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2CC2)n1 ZINC000664222606 678845759 /nfs/dbraw/zinc/84/57/59/678845759.db2.gz JWQUNZUIIZXHPB-BBRMVZONSA-N 1 3 367.563 2.474 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COc2c1cccc2Cl ZINC000664406904 678874638 /nfs/dbraw/zinc/87/46/38/678874638.db2.gz HKUDRBONVLILFM-XJKSGUPXSA-N 1 3 368.909 2.345 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COc2c1cccc2Cl ZINC000664406904 678874639 /nfs/dbraw/zinc/87/46/39/678874639.db2.gz HKUDRBONVLILFM-XJKSGUPXSA-N 1 3 368.909 2.345 20 0 FEADHO COc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)c1 ZINC000664460836 678882260 /nfs/dbraw/zinc/88/22/60/678882260.db2.gz PJJOOFIWSHXPGP-INIZCTEOSA-N 1 3 350.507 2.075 20 0 FEADHO COc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)c1 ZINC000664460836 678882264 /nfs/dbraw/zinc/88/22/64/678882264.db2.gz PJJOOFIWSHXPGP-INIZCTEOSA-N 1 3 350.507 2.075 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000665762907 678982345 /nfs/dbraw/zinc/98/23/45/678982345.db2.gz TXYUALBTSXTTJR-MELADBBJSA-N 1 3 352.445 2.241 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000665762907 678982347 /nfs/dbraw/zinc/98/23/47/678982347.db2.gz TXYUALBTSXTTJR-MELADBBJSA-N 1 3 352.445 2.241 20 0 FEADHO CC1(C)CC(NC(=O)CC2(N3CCOCC3)CCCC2)CC(C)(C)[NH2+]1 ZINC000665855180 678988548 /nfs/dbraw/zinc/98/85/48/678988548.db2.gz JXIKQSLAYMAYGT-UHFFFAOYSA-N 1 3 351.535 2.447 20 0 FEADHO [NH3+][C@@H]1CCC[C@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000669573940 679243527 /nfs/dbraw/zinc/24/35/27/679243527.db2.gz POHYHBYKPLVSHJ-DNDYEEKYSA-N 1 3 362.440 2.361 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cccc(F)c3F)C2)CC[N@@H+]1C ZINC001022109050 680197273 /nfs/dbraw/zinc/19/72/73/680197273.db2.gz CDKNFDZLCPQSJY-QSJFSLAZSA-N 1 3 351.441 2.432 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cccc(F)c3F)C2)CC[N@H+]1C ZINC001022109050 680197277 /nfs/dbraw/zinc/19/72/77/680197277.db2.gz CDKNFDZLCPQSJY-QSJFSLAZSA-N 1 3 351.441 2.432 20 0 FEADHO Cc1nc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sc1C ZINC000983705515 680322796 /nfs/dbraw/zinc/32/27/96/680322796.db2.gz WQUNUGZFTRFOTM-DTZQCDIJSA-N 1 3 350.532 2.085 20 0 FEADHO Cc1nc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sc1C ZINC000983705515 680322799 /nfs/dbraw/zinc/32/27/99/680322799.db2.gz WQUNUGZFTRFOTM-DTZQCDIJSA-N 1 3 350.532 2.085 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNCc3nc(C)cs3)C2)CC[N@@H+]1C ZINC001026855908 680351646 /nfs/dbraw/zinc/35/16/46/680351646.db2.gz PMXQEJNRQOKZMA-OWCLPIDISA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNCc3nc(C)cs3)C2)CC[N@H+]1C ZINC001026855908 680351649 /nfs/dbraw/zinc/35/16/49/680351649.db2.gz PMXQEJNRQOKZMA-OWCLPIDISA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)Cc3cnc(C)s3)C2)CC[N@@H+]1C ZINC001029742505 680391153 /nfs/dbraw/zinc/39/11/53/680391153.db2.gz VJRUWZJZYXZBDA-BPQIPLTHSA-N 1 3 364.559 2.462 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CN(C)Cc3cnc(C)s3)C2)CC[N@H+]1C ZINC001029742505 680391154 /nfs/dbraw/zinc/39/11/54/680391154.db2.gz VJRUWZJZYXZBDA-BPQIPLTHSA-N 1 3 364.559 2.462 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NCc3nccs3)CC2)CC[N@@H+]1C ZINC001034649769 680437213 /nfs/dbraw/zinc/43/72/13/680437213.db2.gz UCRBPHOWNUXQOP-YHUYYLMFSA-N 1 3 350.532 2.390 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NCc3nccs3)CC2)CC[N@H+]1C ZINC001034649769 680437214 /nfs/dbraw/zinc/43/72/14/680437214.db2.gz UCRBPHOWNUXQOP-YHUYYLMFSA-N 1 3 350.532 2.390 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC001034939644 680440550 /nfs/dbraw/zinc/44/05/50/680440550.db2.gz IZHKWKOWTFWSAP-FSPWUOQZSA-N 1 3 351.441 2.386 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cc(F)cc(F)c2)CC[N@H+]1C ZINC001034939644 680440554 /nfs/dbraw/zinc/44/05/54/680440554.db2.gz IZHKWKOWTFWSAP-FSPWUOQZSA-N 1 3 351.441 2.386 20 0 FEADHO CN(C)CCN(CCc1ccccc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000841334620 680873625 /nfs/dbraw/zinc/87/36/25/680873625.db2.gz FSITWJQNPQLAJJ-HNNXBMFYSA-N 1 3 360.424 2.082 20 0 FEADHO CN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@H]1CCC[C@H]1C(C)(C)C ZINC000841692300 680907385 /nfs/dbraw/zinc/90/73/85/680907385.db2.gz QZLPQPITKOKSIY-CABCVRRESA-N 1 3 350.507 2.107 20 0 FEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932711010 681293971 /nfs/dbraw/zinc/29/39/71/681293971.db2.gz OTNIXWHEUBKJCO-IKGGRYGDSA-N 1 3 357.539 2.170 20 0 FEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932711010 681293973 /nfs/dbraw/zinc/29/39/73/681293973.db2.gz OTNIXWHEUBKJCO-IKGGRYGDSA-N 1 3 357.539 2.170 20 0 FEADHO CCCCN1CCOC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC000949373168 681636040 /nfs/dbraw/zinc/63/60/40/681636040.db2.gz LZYBWIYMPRBJNO-ZWKOTPCHSA-N 1 3 351.535 2.210 20 0 FEADHO CCCCN1CCOC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000949373168 681636041 /nfs/dbraw/zinc/63/60/41/681636041.db2.gz LZYBWIYMPRBJNO-ZWKOTPCHSA-N 1 3 351.535 2.210 20 0 FEADHO CCO[C@@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C[NH+](C)C ZINC000913891010 685487815 /nfs/dbraw/zinc/48/78/15/685487815.db2.gz HFRATBANAHSHET-HOTGVXAUSA-N 1 3 368.547 2.151 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000855346166 682659793 /nfs/dbraw/zinc/65/97/93/682659793.db2.gz PYCJZMZIRCXBMH-ZDUSSCGKSA-N 1 3 369.893 2.113 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000855346166 682659797 /nfs/dbraw/zinc/65/97/97/682659797.db2.gz PYCJZMZIRCXBMH-ZDUSSCGKSA-N 1 3 369.893 2.113 20 0 FEADHO CN1CCC(NC(=S)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000795004734 683008110 /nfs/dbraw/zinc/00/81/10/683008110.db2.gz MYCODVRACLTJDV-HDICACEKSA-N 1 3 358.555 2.019 20 0 FEADHO CN1CCC(NC(=S)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000795004734 683008113 /nfs/dbraw/zinc/00/81/13/683008113.db2.gz MYCODVRACLTJDV-HDICACEKSA-N 1 3 358.555 2.019 20 0 FEADHO [NH3+][C@@H]1CC[C@H](CN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000925882316 683046613 /nfs/dbraw/zinc/04/66/13/683046613.db2.gz KOBILVWAUIQLGB-ZKYQVNSYSA-N 1 3 373.316 2.385 20 0 FEADHO C[C@H](C[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2)CN(C)C ZINC000926470001 683128872 /nfs/dbraw/zinc/12/88/72/683128872.db2.gz IQVNUJSMRVVKME-NRKLIOEPSA-N 1 3 355.523 2.092 20 0 FEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(CCOC)s3)C2)[C@@H]1C(C)C ZINC000922393379 683713374 /nfs/dbraw/zinc/71/33/74/683713374.db2.gz JXDZNQBUMHPCLT-FPAYPSAMSA-N 1 3 367.559 2.291 20 0 FEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(CCOC)s3)C2)[C@@H]1C(C)C ZINC000922393379 683713375 /nfs/dbraw/zinc/71/33/75/683713375.db2.gz JXDZNQBUMHPCLT-FPAYPSAMSA-N 1 3 367.559 2.291 20 0 FEADHO COCCC[NH+]1CCC(NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000865443528 683983771 /nfs/dbraw/zinc/98/37/71/683983771.db2.gz HOQHYZNAHXYBCK-QGZVFWFLSA-N 1 3 355.523 2.476 20 0 FEADHO COC[C@H](C)OC[C@H](O)CN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923343858 684266849 /nfs/dbraw/zinc/26/68/49/684266849.db2.gz YEEMMHAJWZXKJI-CGTJXYLNSA-N 1 3 368.543 2.105 20 0 FEADHO [NH3+]CC[C@H]1CCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000923480626 684288099 /nfs/dbraw/zinc/28/80/99/684288099.db2.gz ARVUTHARERKEBZ-XJKSGUPXSA-N 1 3 353.413 2.454 20 0 FEADHO C[C@@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000923492473 684291401 /nfs/dbraw/zinc/29/14/01/684291401.db2.gz PEOYTPQMYFCKSP-OLZOCXBDSA-N 1 3 359.392 2.433 20 0 FEADHO C[C@H]1CN(CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923500414 684293618 /nfs/dbraw/zinc/29/36/18/684293618.db2.gz QCMRENWGIPQYJV-GXTWGEPZSA-N 1 3 359.392 2.118 20 0 FEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(N3CCCS3(=O)=O)c(F)c2)C1 ZINC000925646928 684575711 /nfs/dbraw/zinc/57/57/11/684575711.db2.gz WRPMDPAHFYTEIV-HUUCEWRRSA-N 1 3 369.506 2.361 20 0 FEADHO O=C(NC[C@@H]1NCCc2ccccc21)c1csc(C2CC[NH2+]CC2)n1 ZINC000870943590 684774091 /nfs/dbraw/zinc/77/40/91/684774091.db2.gz PUOINMGAPPJZBT-INIZCTEOSA-N 1 3 356.495 2.227 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876876076 686286108 /nfs/dbraw/zinc/28/61/08/686286108.db2.gz JQXFSKDQELQTLF-KKTNHOPESA-N 1 3 351.441 2.411 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc(Cl)n1 ZINC000877010383 686309401 /nfs/dbraw/zinc/30/94/01/686309401.db2.gz WXZVYECXEYBLQK-GVDBMIGSSA-N 1 3 358.873 2.305 20 0 FEADHO COC[C@]1(C(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CCCCN1 ZINC000877443569 686377915 /nfs/dbraw/zinc/37/79/15/686377915.db2.gz GCYDMCPEBUQZGO-QRFRQXIXSA-N 1 3 351.535 2.291 20 0 FEADHO C[NH+](C)C[C@@]1(O)CCCN(CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000878866990 686677759 /nfs/dbraw/zinc/67/77/59/686677759.db2.gz ZEGPAHVBQLLKAV-LPHOPBHVSA-N 1 3 355.523 2.022 20 0 FEADHO CC(C)CN(CC(=O)NCC(=O)c1cccs1)CC1CC[NH+](C)CC1 ZINC000879704691 686891537 /nfs/dbraw/zinc/89/15/37/686891537.db2.gz SXPFRMRRIDCDAU-UHFFFAOYSA-N 1 3 365.543 2.347 20 0 FEADHO C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)N(C)Cc1ccccc1 ZINC000891537399 689075065 /nfs/dbraw/zinc/07/50/65/689075065.db2.gz BSWUBHJHOQCUIB-HOCLYGCPSA-N 1 3 354.445 2.051 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC000891674164 689090827 /nfs/dbraw/zinc/09/08/27/689090827.db2.gz WDZGCCWCIQYRFZ-SUMWQHHRSA-N 1 3 350.894 2.293 20 0 FEADHO CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(N)ncc2Cl)CC1 ZINC000891815492 689111614 /nfs/dbraw/zinc/11/16/14/689111614.db2.gz CIIXMEBDDWMOGS-UHFFFAOYSA-N 1 3 367.925 2.382 20 0 FEADHO F[C@@H]1CC2(CC[C@H]1N1CCC(OCC[NH+]3CCCC3)CC1)OCCO2 ZINC000892130663 689154585 /nfs/dbraw/zinc/15/45/85/689154585.db2.gz PQNIOFHYWDSTOE-QZTJIDSGSA-N 1 3 356.482 2.197 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)o1 ZINC000892496627 689203645 /nfs/dbraw/zinc/20/36/45/689203645.db2.gz PSHLSLNQNAGOBN-MRXNPFEDSA-N 1 3 350.507 2.439 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000892598415 689217174 /nfs/dbraw/zinc/21/71/74/689217174.db2.gz ZYFFFIKUIWUIPH-FUHWJXTLSA-N 1 3 368.543 2.320 20 0 FEADHO C[NH+]1CCC(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC1 ZINC000893934183 689432681 /nfs/dbraw/zinc/43/26/81/689432681.db2.gz WKULOOBWEVOJJC-UHFFFAOYSA-N 1 3 363.453 2.411 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)c1ccsc1 ZINC000895715310 689760318 /nfs/dbraw/zinc/76/03/18/689760318.db2.gz QAMBEUWULPTHCX-SFHVURJKSA-N 1 3 365.543 2.358 20 0 FEADHO COc1ccc(C[C@@](C)(O)CN[C@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000902389179 690762157 /nfs/dbraw/zinc/76/21/57/690762157.db2.gz SLXOGDRGVDGPAW-OXJNMPFZSA-N 1 3 350.503 2.365 20 0 FEADHO O=C(NC1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)c1ccsc1 ZINC000903726247 690967313 /nfs/dbraw/zinc/96/73/13/690967313.db2.gz LHWKSPUYLDXCSA-KRWDZBQOSA-N 1 3 363.527 2.101 20 0 FEADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)CC1(O)CCCCC1 ZINC000905073555 691063743 /nfs/dbraw/zinc/06/37/43/691063743.db2.gz DMEYEDFERIYDQP-GOSISDBHSA-N 1 3 350.503 2.163 20 0 FEADHO C[C@@](O)(C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)C(F)(F)C(F)(F)F ZINC000905126049 691071139 /nfs/dbraw/zinc/07/11/39/691071139.db2.gz CQCXFKGOGYNZFX-WCQYABFASA-N 1 3 360.367 2.026 20 0 FEADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNC[C@H]1CCCN1CC(F)(F)F ZINC000905567408 691142658 /nfs/dbraw/zinc/14/26/58/691142658.db2.gz ZNVCIHXFOUBKCH-IAGOWNOFSA-N 1 3 359.436 2.096 20 0 FEADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNC[C@H]1CCCN1CC(F)(F)F ZINC000905567408 691142660 /nfs/dbraw/zinc/14/26/60/691142660.db2.gz ZNVCIHXFOUBKCH-IAGOWNOFSA-N 1 3 359.436 2.096 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000049011936 540379709 /nfs/dbraw/zinc/37/97/09/540379709.db2.gz ZSQCZGCMVRSYPT-UHFFFAOYSA-N 1 3 374.529 2.458 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)COc3cccc(Cl)c3)CC2)CC1 ZINC000050803069 540415546 /nfs/dbraw/zinc/41/55/46/540415546.db2.gz KBMPCNXZKUKDJS-UHFFFAOYSA-N 1 3 365.905 2.394 20 0 FEADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066195945 541289162 /nfs/dbraw/zinc/28/91/62/541289162.db2.gz SSUBTUMWCKBZRC-KURKYZTESA-N 1 3 368.566 2.248 20 0 FEADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066195945 541289164 /nfs/dbraw/zinc/28/91/64/541289164.db2.gz SSUBTUMWCKBZRC-KURKYZTESA-N 1 3 368.566 2.248 20 0 FEADHO Cc1cnc([C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C2CC2)s1 ZINC000074705755 542114041 /nfs/dbraw/zinc/11/40/41/542114041.db2.gz PUHMEWHLXNFUPL-HNNXBMFYSA-N 1 3 353.536 2.037 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN(C[C@@H]2CCCO2)C2CCCC2)CC1 ZINC000075830939 542205060 /nfs/dbraw/zinc/20/50/60/542205060.db2.gz WXBXGKAXXKMFJR-IBGZPJMESA-N 1 3 351.535 2.399 20 0 FEADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000075861013 542210052 /nfs/dbraw/zinc/21/00/52/542210052.db2.gz LVOBRNAZRLEXLB-SFHVURJKSA-N 1 3 360.502 2.209 20 0 FEADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000075861013 542210054 /nfs/dbraw/zinc/21/00/54/542210054.db2.gz LVOBRNAZRLEXLB-SFHVURJKSA-N 1 3 360.502 2.209 20 0 FEADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCCN(CCN(C)C)CC2)cc1 ZINC000077456270 542383933 /nfs/dbraw/zinc/38/39/33/542383933.db2.gz QSEDKSPBBJGBEH-UHFFFAOYSA-N 1 3 360.546 2.238 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000077579984 542400381 /nfs/dbraw/zinc/40/03/81/542400381.db2.gz HQYVHMPPIPYCBA-UHFFFAOYSA-N 1 3 366.550 2.005 20 0 FEADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000101517052 543027921 /nfs/dbraw/zinc/02/79/21/543027921.db2.gz JKDWUEBPELFUHH-RTBURBONSA-N 1 3 372.557 2.379 20 0 FEADHO COc1ccc2c(c1)CCC[C@H]2CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103212980 543097112 /nfs/dbraw/zinc/09/71/12/543097112.db2.gz IIGAIGAMEBNYCY-SFHVURJKSA-N 1 3 361.530 2.457 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(F)cc1Br ZINC000104532867 543134162 /nfs/dbraw/zinc/13/41/62/543134162.db2.gz DBFKEYBSLQNCTD-UHFFFAOYSA-N 1 3 360.271 2.154 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000104793231 543144777 /nfs/dbraw/zinc/14/47/77/543144777.db2.gz PHBMCWGXAKULJR-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000104793231 543144778 /nfs/dbraw/zinc/14/47/78/543144778.db2.gz PHBMCWGXAKULJR-UHFFFAOYSA-N 1 3 362.518 2.301 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NCC2CC[NH+](C)CC2)N2CCCC2)c1 ZINC000105084700 543157555 /nfs/dbraw/zinc/15/75/55/543157555.db2.gz FIIGXVDVJHHFMF-HXUWFJFHSA-N 1 3 374.529 2.473 20 0 FEADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000105128609 543160742 /nfs/dbraw/zinc/16/07/42/543160742.db2.gz CBALLNWVRAPADL-GOSISDBHSA-N 1 3 358.530 2.466 20 0 FEADHO CC[N@H+]1CCC[C@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000105128609 543160744 /nfs/dbraw/zinc/16/07/44/543160744.db2.gz CBALLNWVRAPADL-GOSISDBHSA-N 1 3 358.530 2.466 20 0 FEADHO CN(C)[C@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000105244795 543166810 /nfs/dbraw/zinc/16/68/10/543166810.db2.gz OXGQPJXXAVSWEJ-UXHICEINSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C)[C@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000105244795 543166812 /nfs/dbraw/zinc/16/68/12/543166812.db2.gz OXGQPJXXAVSWEJ-UXHICEINSA-N 1 3 358.530 2.287 20 0 FEADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC[C@H]([NH+](C)C)C1 ZINC000109811473 543340221 /nfs/dbraw/zinc/34/02/21/543340221.db2.gz PXFWHTWYVBZVCA-RXVVDRJESA-N 1 3 372.557 2.182 20 0 FEADHO c1ccc(N2CCN(C[C@H]3CCC[N@@H+](CCN4CCCCC4)C3)CC2)nc1 ZINC000112664571 543456075 /nfs/dbraw/zinc/45/60/75/543456075.db2.gz SLGDMAACHNNZLT-NRFANRHFSA-N 1 3 371.573 2.402 20 0 FEADHO c1ccc(N2CCN(C[C@H]3CCC[N@H+](CCN4CCCCC4)C3)CC2)nc1 ZINC000112664571 543456077 /nfs/dbraw/zinc/45/60/77/543456077.db2.gz SLGDMAACHNNZLT-NRFANRHFSA-N 1 3 371.573 2.402 20 0 FEADHO C[C@H]([NH2+]C1(CNC(=O)NC[C@H]2CCCN2C)CCOCC1)c1ccccc1 ZINC000113604354 543492586 /nfs/dbraw/zinc/49/25/86/543492586.db2.gz QXTBEVBLZBGJND-PKOBYXMFSA-N 1 3 374.529 2.280 20 0 FEADHO CCN(CC)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124538458 543828519 /nfs/dbraw/zinc/82/85/19/543828519.db2.gz ADKKZSGPWJQOMJ-RBUKOAKNSA-N 1 3 352.567 2.124 20 0 FEADHO CCN(CC)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124538458 543828522 /nfs/dbraw/zinc/82/85/22/543828522.db2.gz ADKKZSGPWJQOMJ-RBUKOAKNSA-N 1 3 352.567 2.124 20 0 FEADHO COCC[C@@H](Cc1cccc(F)c1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128274041 544042735 /nfs/dbraw/zinc/04/27/35/544042735.db2.gz BKNBULIGKFJVGH-FQEVSTJZSA-N 1 3 351.510 2.391 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN(CCOC(C)C)CC2)[C@H](C)C1 ZINC000129873585 544130365 /nfs/dbraw/zinc/13/03/65/544130365.db2.gz RXBAHNMZFUWVNN-MJGOQNOKSA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(CCOC(C)C)CC2)[C@H](C)C1 ZINC000129873585 544130366 /nfs/dbraw/zinc/13/03/66/544130366.db2.gz RXBAHNMZFUWVNN-MJGOQNOKSA-N 1 3 368.566 2.248 20 0 FEADHO COc1ccccc1COC[C@H](O)C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000247503880 549346443 /nfs/dbraw/zinc/34/64/43/549346443.db2.gz LYZBLOKAMQPWQV-RBUKOAKNSA-N 1 3 350.503 2.379 20 0 FEADHO COc1ccccc1COC[C@H](O)C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000247503880 549346447 /nfs/dbraw/zinc/34/64/47/549346447.db2.gz LYZBLOKAMQPWQV-RBUKOAKNSA-N 1 3 350.503 2.379 20 0 FEADHO COC(=O)CCn1nc(C)c(CN2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000134209917 544298703 /nfs/dbraw/zinc/29/87/03/544298703.db2.gz UMSBVISGOCEFDK-UHFFFAOYSA-N 1 3 362.518 2.371 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)c2ccnc(OCC[NH+](C)C)c2)N(C)C)cc1 ZINC000136687730 544376975 /nfs/dbraw/zinc/37/69/75/544376975.db2.gz YRDJJVCGTBOTKR-LJQANCHMSA-N 1 3 370.497 2.363 20 0 FEADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000182683962 327784739 /nfs/dbraw/zinc/78/47/39/327784739.db2.gz SXYRLCMTNRVVQM-SFTDATJTSA-N 1 3 373.541 2.205 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)c1 ZINC000187704126 328040586 /nfs/dbraw/zinc/04/05/86/328040586.db2.gz KLRGBUCUSLYABX-UHFFFAOYSA-N 1 3 360.502 2.020 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(NC(C)=O)c1C ZINC000187866112 328051439 /nfs/dbraw/zinc/05/14/39/328051439.db2.gz VBLWGCUFGSRHQK-SFHVURJKSA-N 1 3 374.529 2.442 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(NC(C)=O)c1C ZINC000187866112 328051440 /nfs/dbraw/zinc/05/14/40/328051440.db2.gz VBLWGCUFGSRHQK-SFHVURJKSA-N 1 3 374.529 2.442 20 0 FEADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000188149028 328069512 /nfs/dbraw/zinc/06/95/12/328069512.db2.gz FAIMWQZTYGTTHD-QFIPXVFZSA-N 1 3 373.541 2.202 20 0 FEADHO CCN(CCC[NH+](C)C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000188716329 328106316 /nfs/dbraw/zinc/10/63/16/328106316.db2.gz ZBRRYGINGLQKOG-UHFFFAOYSA-N 1 3 356.580 2.331 20 0 FEADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)CC1 ZINC000189272780 328138341 /nfs/dbraw/zinc/13/83/41/328138341.db2.gz WEUVLCKAVQTRNT-UHFFFAOYSA-N 1 3 374.529 2.328 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)cc1 ZINC000189416996 328146685 /nfs/dbraw/zinc/14/66/85/328146685.db2.gz KKWJONWEXQJWCN-QGZVFWFLSA-N 1 3 374.529 2.458 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)cc1 ZINC000189416905 328146875 /nfs/dbraw/zinc/14/68/75/328146875.db2.gz XFSALZVGBZZHRR-KRWDZBQOSA-N 1 3 374.529 2.315 20 0 FEADHO CC[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000189652521 328160139 /nfs/dbraw/zinc/16/01/39/328160139.db2.gz KJWLAANKFYIPPY-JOCHJYFZSA-N 1 3 373.541 2.266 20 0 FEADHO CC[C@]1(CO)CCC[N@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000189652521 328160141 /nfs/dbraw/zinc/16/01/41/328160141.db2.gz KJWLAANKFYIPPY-JOCHJYFZSA-N 1 3 373.541 2.266 20 0 FEADHO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191466369 328267124 /nfs/dbraw/zinc/26/71/24/328267124.db2.gz ITSOZGNSDLXREQ-PMACEKPBSA-N 1 3 366.594 2.419 20 0 FEADHO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191466369 328267125 /nfs/dbraw/zinc/26/71/25/328267125.db2.gz ITSOZGNSDLXREQ-PMACEKPBSA-N 1 3 366.594 2.419 20 0 FEADHO CC(C)CN1CCN([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000078645297 325055870 /nfs/dbraw/zinc/05/58/70/325055870.db2.gz RKOGPNFHKUQHDB-FPOVZHCZSA-N 1 3 372.557 2.039 20 0 FEADHO CC(C)CN1CCN([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000078645297 325055875 /nfs/dbraw/zinc/05/58/75/325055875.db2.gz RKOGPNFHKUQHDB-FPOVZHCZSA-N 1 3 372.557 2.039 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C)[C@@H](CO)SC)CC1 ZINC000088727796 325299633 /nfs/dbraw/zinc/29/96/33/325299633.db2.gz UZYJQVFQATXKNS-VQIMIIECSA-N 1 3 351.560 2.421 20 0 FEADHO C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000089618970 325324262 /nfs/dbraw/zinc/32/42/62/325324262.db2.gz UXWABPLQMQARKY-CJNGLKHVSA-N 1 3 373.419 2.441 20 0 FEADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC1(N2CCSCC2)CCCC1 ZINC000237882364 328532788 /nfs/dbraw/zinc/53/27/88/328532788.db2.gz AIAASDNCCCJGLW-ALOPSCKCSA-N 1 3 351.560 2.385 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN(C)C[C@H](C)Cc2ccc(OC)cc2)CC1 ZINC000090617248 325365841 /nfs/dbraw/zinc/36/58/41/325365841.db2.gz NNVPENHZQARVEU-QGZVFWFLSA-N 1 3 361.530 2.406 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000118772632 326101055 /nfs/dbraw/zinc/10/10/55/326101055.db2.gz QJMBNMODCXYHHG-SFHVURJKSA-N 1 3 358.530 2.433 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000118772632 326101056 /nfs/dbraw/zinc/10/10/56/326101056.db2.gz QJMBNMODCXYHHG-SFHVURJKSA-N 1 3 358.530 2.433 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000121650758 326354842 /nfs/dbraw/zinc/35/48/42/326354842.db2.gz LYARIWGFMWPWGE-QRVBRYPASA-N 1 3 357.498 2.025 20 0 FEADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC([NH+](C)C)CC1 ZINC000127918923 326514810 /nfs/dbraw/zinc/51/48/10/326514810.db2.gz GYUYWUGKZFTYIE-GOSISDBHSA-N 1 3 372.557 2.182 20 0 FEADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000156069363 326816331 /nfs/dbraw/zinc/81/63/31/326816331.db2.gz DWKMCGPKGBGRFF-RTBURBONSA-N 1 3 372.557 2.379 20 0 FEADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000157394234 326864259 /nfs/dbraw/zinc/86/42/59/326864259.db2.gz RSSMKZSRNXMRKD-NRFANRHFSA-N 1 3 360.546 2.469 20 0 FEADHO CN(C(=O)c1ccc(C[NH3+])cc1)C1CCN(CCc2ccccn2)CC1 ZINC000166553910 327082195 /nfs/dbraw/zinc/08/21/95/327082195.db2.gz IRCNBFVQGQRPNI-UHFFFAOYSA-N 1 3 352.482 2.319 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nc2ccccc2[nH]1 ZINC000170628288 327089420 /nfs/dbraw/zinc/08/94/20/327089420.db2.gz ULAXKEFBZPKEQI-QGZVFWFLSA-N 1 3 371.529 2.370 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nc2ccccc2[nH]1 ZINC000170628288 327089421 /nfs/dbraw/zinc/08/94/21/327089421.db2.gz ULAXKEFBZPKEQI-QGZVFWFLSA-N 1 3 371.529 2.370 20 0 FEADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)NC3CCCC3)CC2)C[C@H](C)O1 ZINC000171303688 327131017 /nfs/dbraw/zinc/13/10/17/327131017.db2.gz MTDOGOVWVCEFMG-CALCHBBNSA-N 1 3 351.535 2.257 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000173694425 327277538 /nfs/dbraw/zinc/27/75/38/327277538.db2.gz YIATUNLYTDAQCX-UHFFFAOYSA-N 1 3 372.557 2.496 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173936473 327295739 /nfs/dbraw/zinc/29/57/39/327295739.db2.gz DXIBUTCQWXLUTN-CALCHBBNSA-N 1 3 364.538 2.324 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173936473 327295740 /nfs/dbraw/zinc/29/57/40/327295740.db2.gz DXIBUTCQWXLUTN-CALCHBBNSA-N 1 3 364.538 2.324 20 0 FEADHO CC(C)(CNC(=O)N1CC[C@@H](N2CC=CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000173996162 327300250 /nfs/dbraw/zinc/30/02/50/327300250.db2.gz APAXWVQRALMAOR-HXUWFJFHSA-N 1 3 368.525 2.479 20 0 FEADHO CC(C)(CNC(=O)N1CC[C@@H](N2CC=CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000173996162 327300251 /nfs/dbraw/zinc/30/02/51/327300251.db2.gz APAXWVQRALMAOR-HXUWFJFHSA-N 1 3 368.525 2.479 20 0 FEADHO CC(C)(CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)N1CCc2ccccc2C1 ZINC000173996162 327300253 /nfs/dbraw/zinc/30/02/53/327300253.db2.gz APAXWVQRALMAOR-HXUWFJFHSA-N 1 3 368.525 2.479 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1nc(COC)cs1 ZINC000174404978 327325241 /nfs/dbraw/zinc/32/52/41/327325241.db2.gz HTHPFWGDVCPLCO-HNNXBMFYSA-N 1 3 369.535 2.169 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1nc(COC)cs1 ZINC000174404978 327325242 /nfs/dbraw/zinc/32/52/42/327325242.db2.gz HTHPFWGDVCPLCO-HNNXBMFYSA-N 1 3 369.535 2.169 20 0 FEADHO C[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174713238 327345084 /nfs/dbraw/zinc/34/50/84/327345084.db2.gz JQFLWXCSBONKQX-HNNXBMFYSA-N 1 3 352.910 2.236 20 0 FEADHO C[C@@H](C(=O)Nc1ccccc1Cl)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174723834 327345950 /nfs/dbraw/zinc/34/59/50/327345950.db2.gz LEFXMUUYMVMWGZ-HNNXBMFYSA-N 1 3 352.910 2.236 20 0 FEADHO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@H](N2CC=CC2)C1 ZINC000174938913 327362466 /nfs/dbraw/zinc/36/24/66/327362466.db2.gz TZGFFHLUDHTPLR-UXHICEINSA-N 1 3 354.498 2.307 20 0 FEADHO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@H](N2CC=CC2)C1 ZINC000174938913 327362467 /nfs/dbraw/zinc/36/24/67/327362467.db2.gz TZGFFHLUDHTPLR-UXHICEINSA-N 1 3 354.498 2.307 20 0 FEADHO CC[NH+](CC)CCN(CCOC)C(=O)NCc1cccc(CN(C)C)c1 ZINC000264262220 329005678 /nfs/dbraw/zinc/00/56/78/329005678.db2.gz MPUFHPXOEZXQIF-UHFFFAOYSA-N 1 3 364.534 2.248 20 0 FEADHO CCN(C)[C@@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000264853012 329067576 /nfs/dbraw/zinc/06/75/76/329067576.db2.gz CINBUMYSFJSHOE-HXUWFJFHSA-N 1 3 360.546 2.164 20 0 FEADHO CCN(C)[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000264853012 329067578 /nfs/dbraw/zinc/06/75/78/329067578.db2.gz CINBUMYSFJSHOE-HXUWFJFHSA-N 1 3 360.546 2.164 20 0 FEADHO CCN(C)[C@@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000264853012 329067579 /nfs/dbraw/zinc/06/75/79/329067579.db2.gz CINBUMYSFJSHOE-HXUWFJFHSA-N 1 3 360.546 2.164 20 0 FEADHO CCN1CCN(CCCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000265134067 329094833 /nfs/dbraw/zinc/09/48/33/329094833.db2.gz SKQNLWYPDCXAFW-UHFFFAOYSA-N 1 3 372.557 2.430 20 0 FEADHO COCCN1CC[C@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000265786600 329160033 /nfs/dbraw/zinc/16/00/33/329160033.db2.gz WHYDELOEMAZVOH-AEFFLSMTSA-N 1 3 362.518 2.136 20 0 FEADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000265879541 329169314 /nfs/dbraw/zinc/16/93/14/329169314.db2.gz ODWBZBJKYONBKX-PKOBYXMFSA-N 1 3 368.543 2.463 20 0 FEADHO C[C@H](c1ccccc1)[C@](C)(O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000267021625 329284047 /nfs/dbraw/zinc/28/40/47/329284047.db2.gz PPLSIVKCUHMVFW-VGSWGCGISA-N 1 3 373.541 2.216 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000268045650 329379897 /nfs/dbraw/zinc/37/98/97/329379897.db2.gz ZTXKEUCOUWJVSG-VQIMIIECSA-N 1 3 358.530 2.067 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000268045650 329379898 /nfs/dbraw/zinc/37/98/98/329379898.db2.gz ZTXKEUCOUWJVSG-VQIMIIECSA-N 1 3 358.530 2.067 20 0 FEADHO COc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)c(OC)c1OC ZINC000268426249 329418419 /nfs/dbraw/zinc/41/84/19/329418419.db2.gz NMIILIFXDLYXFO-UHFFFAOYSA-N 1 3 352.475 2.037 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000269215052 329497173 /nfs/dbraw/zinc/49/71/73/329497173.db2.gz QPDUOIDVTHPLDJ-RBUKOAKNSA-N 1 3 358.530 2.011 20 0 FEADHO C[C@H](Cn1cccn1)NCc1cccc(C[NH2+][C@H](C)Cn2cccn2)c1 ZINC000270729071 329626274 /nfs/dbraw/zinc/62/62/74/329626274.db2.gz MVAXZHJQWIZWNP-QZTJIDSGSA-N 1 3 352.486 2.436 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000272936441 329824918 /nfs/dbraw/zinc/82/49/18/329824918.db2.gz BHPFOTNZMJSMNN-OAQYLSRUSA-N 1 3 358.530 2.337 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)CC1 ZINC000275727571 330082041 /nfs/dbraw/zinc/08/20/41/330082041.db2.gz PEKQGOIXXIGXMT-OAQYLSRUSA-N 1 3 370.545 2.335 20 0 FEADHO C[NH+](C)CCc1ccc(CNC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000276224514 330130818 /nfs/dbraw/zinc/13/08/18/330130818.db2.gz JLGHGDBGWYXYBO-UHFFFAOYSA-N 1 3 373.541 2.442 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC[C@@H](O)COCc2ccccc2)[C@H](C)C1 ZINC000276233508 330132003 /nfs/dbraw/zinc/13/20/03/330132003.db2.gz NPUCYOSBZOEEAJ-HMXCVIKNSA-N 1 3 364.530 2.291 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC[C@@H](O)COCc2ccccc2)[C@H](C)C1 ZINC000276233508 330132004 /nfs/dbraw/zinc/13/20/04/330132004.db2.gz NPUCYOSBZOEEAJ-HMXCVIKNSA-N 1 3 364.530 2.291 20 0 FEADHO CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000433146682 330273191 /nfs/dbraw/zinc/27/31/91/330273191.db2.gz AUIUZLVHYFPBFE-MSOLQXFVSA-N 1 3 360.502 2.022 20 0 FEADHO CCOCCC1(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000155432413 545526446 /nfs/dbraw/zinc/52/64/46/545526446.db2.gz ZKNUWVGSYRKXKM-UHFFFAOYSA-N 1 3 366.550 2.051 20 0 FEADHO CN(C)CCOc1cc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccn1 ZINC000155649910 545554599 /nfs/dbraw/zinc/55/45/99/545554599.db2.gz ACQWYAJOHJZXRW-GOSISDBHSA-N 1 3 374.529 2.293 20 0 FEADHO CN(C)CCOc1cc(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)ccn1 ZINC000155649910 545554600 /nfs/dbraw/zinc/55/46/00/545554600.db2.gz ACQWYAJOHJZXRW-GOSISDBHSA-N 1 3 374.529 2.293 20 0 FEADHO CC1(C(=O)NC[C@H](O)CN2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000156436209 545626735 /nfs/dbraw/zinc/62/67/35/545626735.db2.gz UNCXSHOLUSCXSM-FQEVSTJZSA-N 1 3 373.541 2.252 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000477493611 561146343 /nfs/dbraw/zinc/14/63/43/561146343.db2.gz SPEGKYBTMBOPPW-UHFFFAOYSA-N 1 3 353.532 2.149 20 0 FEADHO COCCN(C)CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000171193089 546195754 /nfs/dbraw/zinc/19/57/54/546195754.db2.gz FURRMNJOWIEHAO-UHFFFAOYSA-N 1 3 362.518 2.050 20 0 FEADHO CN(C)C1(CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)Cc2ccccc2C1 ZINC000479228120 561185418 /nfs/dbraw/zinc/18/54/18/561185418.db2.gz QJRVHOSTWPXPKT-LJQANCHMSA-N 1 3 355.457 2.083 20 0 FEADHO C[C@@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)N1CCC[C@@H](C)C1 ZINC000175606520 546318476 /nfs/dbraw/zinc/31/84/76/546318476.db2.gz JOAFJQWLPOQIHE-MSOLQXFVSA-N 1 3 368.566 2.249 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NCCNC(=O)c2cccc(C)c2)[C@@H](C)C1 ZINC000480913035 561220141 /nfs/dbraw/zinc/22/01/41/561220141.db2.gz SYJABTJRJDAZSZ-ICSRJNTNSA-N 1 3 361.530 2.451 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NCCNC(=O)c2cccc(C)c2)[C@@H](C)C1 ZINC000480913035 561220142 /nfs/dbraw/zinc/22/01/42/561220142.db2.gz SYJABTJRJDAZSZ-ICSRJNTNSA-N 1 3 361.530 2.451 20 0 FEADHO CN(c1ccccc1CNCCNC(=O)c1ccco1)C1CC[NH+](C)CC1 ZINC000177559526 546644269 /nfs/dbraw/zinc/64/42/69/546644269.db2.gz KOIDCSCBBXHSMJ-UHFFFAOYSA-N 1 3 370.497 2.330 20 0 FEADHO CN(c1ccccc1CNCCN1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000177577785 546648122 /nfs/dbraw/zinc/64/81/22/546648122.db2.gz ZSWAODBXHUTEBR-UHFFFAOYSA-N 1 3 374.573 2.417 20 0 FEADHO CN(c1ccccc1C[NH2+]CCN1CCOC(C)(C)C1)C1CCN(C)CC1 ZINC000177577785 546648123 /nfs/dbraw/zinc/64/81/23/546648123.db2.gz ZSWAODBXHUTEBR-UHFFFAOYSA-N 1 3 374.573 2.417 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC(C[NH+](C)C)CC2)cc1F ZINC000481073868 561224591 /nfs/dbraw/zinc/22/45/91/561224591.db2.gz MAAINLLJQQYFFX-OAHLLOKOSA-N 1 3 365.493 2.455 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NCc2ccccc2)[C@H](C)C1 ZINC000177943822 546711077 /nfs/dbraw/zinc/71/10/77/546711077.db2.gz IQWUKBYQFKJLTL-HBFSDRIKSA-N 1 3 361.530 2.418 20 0 FEADHO O[C@H](Cn1cccn1)C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000178646492 546826317 /nfs/dbraw/zinc/82/63/17/546826317.db2.gz IXYGVSNDKLBFIL-ACRUOGEOSA-N 1 3 354.498 2.231 20 0 FEADHO O[C@H](Cn1cccn1)C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000178646492 546826323 /nfs/dbraw/zinc/82/63/23/546826323.db2.gz IXYGVSNDKLBFIL-ACRUOGEOSA-N 1 3 354.498 2.231 20 0 FEADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CCOCC1 ZINC000179637929 546990356 /nfs/dbraw/zinc/99/03/56/546990356.db2.gz QRSRDFGJCZOPNH-UHFFFAOYSA-N 1 3 359.514 2.257 20 0 FEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000179716513 547003293 /nfs/dbraw/zinc/00/32/93/547003293.db2.gz VCQVVLZKIGVPTI-PXNSSMCTSA-N 1 3 359.514 2.267 20 0 FEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000179716513 547003296 /nfs/dbraw/zinc/00/32/96/547003296.db2.gz VCQVVLZKIGVPTI-PXNSSMCTSA-N 1 3 359.514 2.267 20 0 FEADHO CC(C)(CNC(=O)CCN1CCN(c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000482950314 561263816 /nfs/dbraw/zinc/26/38/16/561263816.db2.gz SBFCDANPDWLKLC-UHFFFAOYSA-N 1 3 372.557 2.437 20 0 FEADHO CCN1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000180877612 547199990 /nfs/dbraw/zinc/19/99/90/547199990.db2.gz NQHPGEYODFPYPU-WOJBJXKFSA-N 1 3 359.514 2.134 20 0 FEADHO CCN1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000180877612 547199997 /nfs/dbraw/zinc/19/99/97/547199997.db2.gz NQHPGEYODFPYPU-WOJBJXKFSA-N 1 3 359.514 2.134 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000483014920 561265016 /nfs/dbraw/zinc/26/50/16/561265016.db2.gz AXTOVGUDZKSNNV-KRWDZBQOSA-N 1 3 368.566 2.440 20 0 FEADHO CN1CCC[C@@H]1CNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000181071229 547242674 /nfs/dbraw/zinc/24/26/74/547242674.db2.gz IKPHJSOJDHPUQV-LJQANCHMSA-N 1 3 374.529 2.097 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483174557 561269573 /nfs/dbraw/zinc/26/95/73/561269573.db2.gz RBMAHZFBDUJWMV-PKOBYXMFSA-N 1 3 351.535 2.210 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483174557 561269574 /nfs/dbraw/zinc/26/95/74/561269574.db2.gz RBMAHZFBDUJWMV-PKOBYXMFSA-N 1 3 351.535 2.210 20 0 FEADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000483766214 561283637 /nfs/dbraw/zinc/28/36/37/561283637.db2.gz APECABBIVXEVLN-QZTJIDSGSA-N 1 3 368.566 2.392 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000182523316 547507770 /nfs/dbraw/zinc/50/77/70/547507770.db2.gz HPNWUIWOBXCQGY-RTBURBONSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000182523316 547507772 /nfs/dbraw/zinc/50/77/72/547507772.db2.gz HPNWUIWOBXCQGY-RTBURBONSA-N 1 3 374.529 2.253 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000185123769 547936745 /nfs/dbraw/zinc/93/67/45/547936745.db2.gz VNJDBNWZCWYLFT-UHFFFAOYSA-N 1 3 358.530 2.429 20 0 FEADHO CCO[C@@H]1C[C@@H]([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)C12CCOCC2 ZINC000186291290 548113957 /nfs/dbraw/zinc/11/39/57/548113957.db2.gz MKEAJNUPRMAJLA-FCGDIQPGSA-N 1 3 354.535 2.440 20 0 FEADHO NCc1cc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cc(C(F)(F)F)c1 ZINC000485863927 561330367 /nfs/dbraw/zinc/33/03/67/561330367.db2.gz NTAIFXUOCGRCTE-JTQLQIEISA-N 1 3 353.348 2.216 20 0 FEADHO C[C@@H](CCN1CCN(C)CC1)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000186598193 548156894 /nfs/dbraw/zinc/15/68/94/548156894.db2.gz NKEMMZKGPJMSNE-FQEVSTJZSA-N 1 3 358.574 2.309 20 0 FEADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000186704064 548176748 /nfs/dbraw/zinc/17/67/48/548176748.db2.gz GWEHVVQPTYMUDS-KEYYUXOJSA-N 1 3 369.506 2.184 20 0 FEADHO C[NH+](C)CCn1ncc(C(=O)N[C@@H]2CCN(C3CC3)C2)c1-c1ccccc1 ZINC000486301452 561343582 /nfs/dbraw/zinc/34/35/82/561343582.db2.gz XYZIFFHWZNXLKQ-QGZVFWFLSA-N 1 3 367.497 2.078 20 0 FEADHO COCCN1CCC(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000195142545 548583717 /nfs/dbraw/zinc/58/37/17/548583717.db2.gz PEZJVPDTDTVSEZ-QZTJIDSGSA-N 1 3 368.566 2.155 20 0 FEADHO O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000195245499 548602466 /nfs/dbraw/zinc/60/24/66/548602466.db2.gz JYWLIIAHINGQSW-SOLBZPMBSA-N 1 3 367.415 2.119 20 0 FEADHO CC(=O)Nc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195341689 548628276 /nfs/dbraw/zinc/62/82/76/548628276.db2.gz UXJGJKOPHOWPLF-UHFFFAOYSA-N 1 3 373.501 2.325 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CCN2CCO[C@H](CC)C2)CC1 ZINC000487210122 561366214 /nfs/dbraw/zinc/36/62/14/561366214.db2.gz LXNFIQKHEWZPDY-OAQYLSRUSA-N 1 3 374.573 2.419 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@](C)(C[NH3+])CC(C)C)CC2)c1 ZINC000236657920 548771494 /nfs/dbraw/zinc/77/14/94/548771494.db2.gz HUCDGDUNYJGYDX-NRFANRHFSA-N 1 3 360.546 2.387 20 0 FEADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000236846761 548783566 /nfs/dbraw/zinc/78/35/66/548783566.db2.gz WIOPBZAGVNLOCB-IBGZPJMESA-N 1 3 356.514 2.152 20 0 FEADHO C[C@H](CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)C1CC[NH2+]CC1 ZINC000237570145 548835311 /nfs/dbraw/zinc/83/53/11/548835311.db2.gz RFVLOCBGYMNYEL-CQSZACIVSA-N 1 3 374.485 2.120 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000245473162 548930857 /nfs/dbraw/zinc/93/08/57/548930857.db2.gz PRQKCHMAHRIJGF-MSOLQXFVSA-N 1 3 368.566 2.295 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000245473162 548930859 /nfs/dbraw/zinc/93/08/59/548930859.db2.gz PRQKCHMAHRIJGF-MSOLQXFVSA-N 1 3 368.566 2.295 20 0 FEADHO CCC[NH+]1CCC(CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000488600045 561392709 /nfs/dbraw/zinc/39/27/09/561392709.db2.gz PSXAJBVGGIWHHD-YQVWRLOYSA-N 1 3 350.551 2.480 20 0 FEADHO CCNC(=O)COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1OC ZINC000246870419 549232595 /nfs/dbraw/zinc/23/25/95/549232595.db2.gz DJBHXKVYURMCHS-HLLBOEOZSA-N 1 3 363.502 2.028 20 0 FEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000246906429 549240199 /nfs/dbraw/zinc/24/01/99/549240199.db2.gz KCESRAXWIBZDJH-SJLPKXTDSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000246906429 549240202 /nfs/dbraw/zinc/24/02/02/549240202.db2.gz KCESRAXWIBZDJH-SJLPKXTDSA-N 1 3 351.535 2.257 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCCN2CC)[C@@H](C)C1 ZINC000247295719 549312787 /nfs/dbraw/zinc/31/27/87/549312787.db2.gz ULUDAFAPFLNBSI-OTWHNJEPSA-N 1 3 368.566 2.297 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCCN2CC)[C@@H](C)C1 ZINC000247295719 549312792 /nfs/dbraw/zinc/31/27/92/549312792.db2.gz ULUDAFAPFLNBSI-OTWHNJEPSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248779296 549500679 /nfs/dbraw/zinc/50/06/79/549500679.db2.gz HVCJYBSROSLDIM-LMCOJAPRSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248779296 549500683 /nfs/dbraw/zinc/50/06/83/549500683.db2.gz HVCJYBSROSLDIM-LMCOJAPRSA-N 1 3 356.514 2.385 20 0 FEADHO CN1CC[C@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H]1c1ccccc1 ZINC000249099620 549550908 /nfs/dbraw/zinc/55/09/08/549550908.db2.gz WAVZOLWYBLNZRL-FUHWJXTLSA-N 1 3 356.474 2.012 20 0 FEADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](N)C2CCOCC2)CC1 ZINC000261668537 549740929 /nfs/dbraw/zinc/74/09/29/549740929.db2.gz AAOBKDVOUNUVRR-HXUWFJFHSA-N 1 3 359.514 2.111 20 0 FEADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](N)C2CCOCC2)CC1 ZINC000261668537 549740933 /nfs/dbraw/zinc/74/09/33/549740933.db2.gz AAOBKDVOUNUVRR-HXUWFJFHSA-N 1 3 359.514 2.111 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc1)[C@H]1CCCN(C)C1 ZINC000261695250 549744137 /nfs/dbraw/zinc/74/41/37/549744137.db2.gz CFHFVZFOJTZYAX-APWZRJJASA-N 1 3 372.513 2.181 20 0 FEADHO N[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C1CCOCC1 ZINC000261822809 549759687 /nfs/dbraw/zinc/75/96/87/549759687.db2.gz PNMOWMITEAAZAB-FQEVSTJZSA-N 1 3 359.514 2.433 20 0 FEADHO CC1CCN([C@H](CNC(=O)C2(C[NH3+])CCOCC2)c2ccccc2)CC1 ZINC000262140374 549792532 /nfs/dbraw/zinc/79/25/32/549792532.db2.gz HCNPSWLVEVRWJM-LJQANCHMSA-N 1 3 359.514 2.331 20 0 FEADHO c1ccc(COc2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)nc1 ZINC000262178164 549795780 /nfs/dbraw/zinc/79/57/80/549795780.db2.gz WINUELBAKZAINI-HXUWFJFHSA-N 1 3 352.482 2.140 20 0 FEADHO CN(C)CCn1c2cc(NC(=O)CC3(C[NH3+])CCCCC3)ccc2oc1=O ZINC000262670250 549837000 /nfs/dbraw/zinc/83/70/00/549837000.db2.gz PCUQFZRXALKKCM-UHFFFAOYSA-N 1 3 374.485 2.394 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H]1CSCCN1 ZINC000262735381 549844623 /nfs/dbraw/zinc/84/46/23/549844623.db2.gz CKTWUGJOKOOZOY-HNAWSFBYSA-N 1 3 361.555 2.354 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H]1CSCCN1 ZINC000262735381 549844625 /nfs/dbraw/zinc/84/46/25/549844625.db2.gz CKTWUGJOKOOZOY-HNAWSFBYSA-N 1 3 361.555 2.354 20 0 FEADHO C[C@@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)N(C)Cc1ccccc1 ZINC000262769608 549848115 /nfs/dbraw/zinc/84/81/15/549848115.db2.gz MFDJYPZYIYPGJY-WMZOPIPTSA-N 1 3 355.486 2.058 20 0 FEADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000263116609 549878797 /nfs/dbraw/zinc/87/87/97/549878797.db2.gz APSKWXNVGYNPRE-RXVVDRJESA-N 1 3 372.513 2.358 20 0 FEADHO CN(CCN1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1)Cc1ccccc1 ZINC000263191501 549884676 /nfs/dbraw/zinc/88/46/76/549884676.db2.gz HXQYGAGERQUHED-UNMCSNQZSA-N 1 3 372.557 2.170 20 0 FEADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000263199819 549885196 /nfs/dbraw/zinc/88/51/96/549885196.db2.gz IXSAMSHWKSAGPK-WIYYLYMNSA-N 1 3 372.513 2.230 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000268909273 550130121 /nfs/dbraw/zinc/13/01/21/550130121.db2.gz NPUCYOSBZOEEAJ-JBACZVJFSA-N 1 3 364.530 2.291 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000268909273 550130123 /nfs/dbraw/zinc/13/01/23/550130123.db2.gz NPUCYOSBZOEEAJ-JBACZVJFSA-N 1 3 364.530 2.291 20 0 FEADHO C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H](CN)c2ccccc2)cc1 ZINC000269268213 550174467 /nfs/dbraw/zinc/17/44/67/550174467.db2.gz QMATXMZNZWDIHT-FQEVSTJZSA-N 1 3 355.482 2.028 20 0 FEADHO C[NH+](C)CCOc1ccc(CCNC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000269504053 550201866 /nfs/dbraw/zinc/20/18/66/550201866.db2.gz MFIIDNCFUMDTFU-HXUWFJFHSA-N 1 3 355.482 2.376 20 0 FEADHO CN1CC[C@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)[C@H]1c1ccccc1 ZINC000270327409 550262143 /nfs/dbraw/zinc/26/21/43/550262143.db2.gz GZPBKCBPKZSTFS-YQVWRLOYSA-N 1 3 362.543 2.168 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1cccc(CO)c1 ZINC000270402483 550269698 /nfs/dbraw/zinc/26/96/98/550269698.db2.gz AHBSUUPRWFVMSM-GOSISDBHSA-N 1 3 354.498 2.437 20 0 FEADHO CN1CCN(CCCNC(=O)CCC2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000270986647 550328856 /nfs/dbraw/zinc/32/88/56/550328856.db2.gz MWJTVOROWFRURK-NRFANRHFSA-N 1 3 372.557 2.261 20 0 FEADHO CC[NH+]1CCC(NC[C@H](O)COc2ccccc2Br)CC1 ZINC000271663585 550393993 /nfs/dbraw/zinc/39/39/93/550393993.db2.gz DVGRJRDRMISBHQ-AWEZNQCLSA-N 1 3 357.292 2.263 20 0 FEADHO C[C@@H](NC(=O)NCC1=CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272559092 550457718 /nfs/dbraw/zinc/45/77/18/550457718.db2.gz RZTZHVMSORCWLS-YLJYHZDGSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@@H](NC(=O)NCC1=CCN(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272559092 550457720 /nfs/dbraw/zinc/45/77/20/550457720.db2.gz RZTZHVMSORCWLS-YLJYHZDGSA-N 1 3 356.514 2.458 20 0 FEADHO CN1CC[C@H]2CCN(C(=O)c3ccc(C[NH+]4CCC(CO)CC4)cc3)[C@@H]2C1 ZINC000272631401 550461821 /nfs/dbraw/zinc/46/18/21/550461821.db2.gz NFGVUSYFJMBRLJ-PZJWPPBQSA-N 1 3 371.525 2.057 20 0 FEADHO CN1CC[C@H]2CCN(C(=O)c3ccc(C[NH+]4CCC(CO)CC4)cc3)[C@H]2C1 ZINC000272631397 550461960 /nfs/dbraw/zinc/46/19/60/550461960.db2.gz NFGVUSYFJMBRLJ-FPOVZHCZSA-N 1 3 371.525 2.057 20 0 FEADHO C[C@@H](NC(=O)/C=C/C[NH+](C)C)c1ccccc1NC(=O)/C=C/CN(C)C ZINC000272812800 550472145 /nfs/dbraw/zinc/47/21/45/550472145.db2.gz ATVMCEJQZQRTPJ-HKQZPKSNSA-N 1 3 358.486 2.038 20 0 FEADHO C[C@@H](NC(=O)/C=C/CN(C)C)c1ccccc1NC(=O)/C=C/C[NH+](C)C ZINC000272812800 550472147 /nfs/dbraw/zinc/47/21/47/550472147.db2.gz ATVMCEJQZQRTPJ-HKQZPKSNSA-N 1 3 358.486 2.038 20 0 FEADHO CN1C(=O)CCc2cc(C[NH2+]C3CCN([C@H]4CCC[C@@H]4O)CC3)ccc21 ZINC000274790478 550554783 /nfs/dbraw/zinc/55/47/83/550554783.db2.gz MKPOMPNZKOHRDG-PMACEKPBSA-N 1 3 357.498 2.063 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000274921378 550565097 /nfs/dbraw/zinc/56/50/97/550565097.db2.gz JEDNJQLYVMICIJ-FQEVSTJZSA-N 1 3 356.514 2.458 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000274921378 550565098 /nfs/dbraw/zinc/56/50/98/550565098.db2.gz JEDNJQLYVMICIJ-FQEVSTJZSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277016221 550622434 /nfs/dbraw/zinc/62/24/34/550622434.db2.gz AAJUKCUVHSXGLY-HLAWJBBLSA-N 1 3 372.557 2.182 20 0 FEADHO CN(C(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)C1CCN(C)CC1 ZINC000277291893 550652623 /nfs/dbraw/zinc/65/26/23/550652623.db2.gz BUOCUEJRJUQVJY-UHFFFAOYSA-N 1 3 369.513 2.278 20 0 FEADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000279768803 550926885 /nfs/dbraw/zinc/92/68/85/550926885.db2.gz SNDHRTZSACSZBT-KRWDZBQOSA-N 1 3 351.516 2.055 20 0 FEADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)[C@H]2C1 ZINC000497360865 561499222 /nfs/dbraw/zinc/49/92/22/561499222.db2.gz CMKDYTCCSPEGQC-AQNXPRMDSA-N 1 3 356.514 2.387 20 0 FEADHO C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)[C@H]2C1 ZINC000497360865 561499223 /nfs/dbraw/zinc/49/92/23/561499223.db2.gz CMKDYTCCSPEGQC-AQNXPRMDSA-N 1 3 356.514 2.387 20 0 FEADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000283199525 551327753 /nfs/dbraw/zinc/32/77/53/551327753.db2.gz GIZMMKRELASWTK-XDHUDOTRSA-N 1 3 351.560 2.491 20 0 FEADHO C[C@H](N[C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000284076619 551479720 /nfs/dbraw/zinc/47/97/20/551479720.db2.gz AZFMJCRGNJZWJF-KVSKMBFKSA-N 1 3 352.519 2.436 20 0 FEADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000498142137 561516928 /nfs/dbraw/zinc/51/69/28/561516928.db2.gz QNOYDWFQBDATNJ-FXAWDEMLSA-N 1 3 370.541 2.354 20 0 FEADHO CC(C)[C@@H](CNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)[NH+]1CCC(C)CC1 ZINC000498150667 561517191 /nfs/dbraw/zinc/51/71/91/561517191.db2.gz HWGDVUMSQXGBEM-QRVBRYPASA-N 1 3 350.551 2.479 20 0 FEADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](N)CC(F)F ZINC000498216125 561518898 /nfs/dbraw/zinc/51/88/98/561518898.db2.gz LKXRXHARQFDDRG-LBPRGKRZSA-N 1 3 353.417 2.299 20 0 FEADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000498623470 561530527 /nfs/dbraw/zinc/53/05/27/561530527.db2.gz BBVQGHBRCKCVOA-SFHVURJKSA-N 1 3 354.539 2.049 20 0 FEADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000498623470 561530528 /nfs/dbraw/zinc/53/05/28/561530528.db2.gz BBVQGHBRCKCVOA-SFHVURJKSA-N 1 3 354.539 2.049 20 0 FEADHO CN(Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000285306486 551735086 /nfs/dbraw/zinc/73/50/86/551735086.db2.gz SHNJFDKNMBAWEE-VIQWUECVSA-N 1 3 350.528 2.454 20 0 FEADHO Cc1nccn1CCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285866594 551820996 /nfs/dbraw/zinc/82/09/96/551820996.db2.gz ITVPXZCTMACKLO-OAQYLSRUSA-N 1 3 353.514 2.084 20 0 FEADHO Cc1nccn1CCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285866594 551820997 /nfs/dbraw/zinc/82/09/97/551820997.db2.gz ITVPXZCTMACKLO-OAQYLSRUSA-N 1 3 353.514 2.084 20 0 FEADHO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(Cc4ccccc4)CCC3(F)F)C[C@H]2C1 ZINC000286919268 551940409 /nfs/dbraw/zinc/94/04/09/551940409.db2.gz CTBNAMHHLBTCPY-KSZLIROESA-N 1 3 363.452 2.164 20 0 FEADHO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(Cc4ccccc4)CCC3(F)F)C[C@H]2C1 ZINC000286919268 551940410 /nfs/dbraw/zinc/94/04/10/551940410.db2.gz CTBNAMHHLBTCPY-KSZLIROESA-N 1 3 363.452 2.164 20 0 FEADHO C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000288432104 552152688 /nfs/dbraw/zinc/15/26/88/552152688.db2.gz DILNTXCTPKGLSR-FOIQADDNSA-N 1 3 372.513 2.366 20 0 FEADHO CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000289170667 552276638 /nfs/dbraw/zinc/27/66/38/552276638.db2.gz SOGYISROEVTZPF-UHFFFAOYSA-N 1 3 374.529 2.064 20 0 FEADHO OCc1cn(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nn1 ZINC000289610123 552349344 /nfs/dbraw/zinc/34/93/44/552349344.db2.gz DBCFXCZFCBYCLL-SESVDKBCSA-N 1 3 369.513 2.051 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccn2ccnc2c1 ZINC000290851703 552549514 /nfs/dbraw/zinc/54/95/14/552549514.db2.gz ZNBRWJCPUKGSSF-QGZVFWFLSA-N 1 3 358.490 2.214 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccn2ccnc2c1 ZINC000290851703 552549515 /nfs/dbraw/zinc/54/95/15/552549515.db2.gz ZNBRWJCPUKGSSF-QGZVFWFLSA-N 1 3 358.490 2.214 20 0 FEADHO CCOc1cc(C[NH2+]C[C@@H](C)CN(C)C)ccc1O[C@H](C)C(=O)N(C)C ZINC000291764935 552659537 /nfs/dbraw/zinc/65/95/37/552659537.db2.gz RZAOFIFLZAPAFP-HZPDHXFCSA-N 1 3 365.518 2.228 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnnn2Cc2ccccc2)C[C@H](C)O1 ZINC000291994469 552682475 /nfs/dbraw/zinc/68/24/75/552682475.db2.gz UFZFDIDTFCGPGQ-HDICACEKSA-N 1 3 357.502 2.305 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292362775 552719630 /nfs/dbraw/zinc/71/96/30/552719630.db2.gz QMPDLRNKOWFYSD-QFUCXCTJSA-N 1 3 356.514 2.244 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292362775 552719632 /nfs/dbraw/zinc/71/96/32/552719632.db2.gz QMPDLRNKOWFYSD-QFUCXCTJSA-N 1 3 356.514 2.244 20 0 FEADHO CCC[NH2+][C@H](C)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000296571903 553181208 /nfs/dbraw/zinc/18/12/08/553181208.db2.gz WCRDZGSZMALPIX-LJQANCHMSA-N 1 3 360.546 2.089 20 0 FEADHO C[C@@H]1CN(c2ccccc2CNCCN2CCC([NH+](C)C)CC2)CCO1 ZINC000297343098 553280944 /nfs/dbraw/zinc/28/09/44/553280944.db2.gz DQIYNORPTGTRQW-GOSISDBHSA-N 1 3 360.546 2.027 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000297729977 553331293 /nfs/dbraw/zinc/33/12/93/553331293.db2.gz ZJMWMKGXLZLPIM-OAQYLSRUSA-N 1 3 374.529 2.254 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000297729977 553331294 /nfs/dbraw/zinc/33/12/94/553331294.db2.gz ZJMWMKGXLZLPIM-OAQYLSRUSA-N 1 3 374.529 2.254 20 0 FEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000503828299 561648649 /nfs/dbraw/zinc/64/86/49/561648649.db2.gz JQQXJAZPQSDNRY-PWRODBHTSA-N 1 3 373.541 2.250 20 0 FEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000503828299 561648650 /nfs/dbraw/zinc/64/86/50/561648650.db2.gz JQQXJAZPQSDNRY-PWRODBHTSA-N 1 3 373.541 2.250 20 0 FEADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(OCCO)CCOCC3)CC2)C1 ZINC000503932444 561650209 /nfs/dbraw/zinc/65/02/09/561650209.db2.gz YTGRYSNFDSARIF-PKOBYXMFSA-N 1 3 354.535 2.177 20 0 FEADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CC3(OCCO)CCOCC3)CC2)C1 ZINC000503932444 561650210 /nfs/dbraw/zinc/65/02/10/561650210.db2.gz YTGRYSNFDSARIF-PKOBYXMFSA-N 1 3 354.535 2.177 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000299710798 553605311 /nfs/dbraw/zinc/60/53/11/553605311.db2.gz IHTKJRXCDBWOKT-LPHOPBHVSA-N 1 3 373.497 2.163 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000299710798 553605314 /nfs/dbraw/zinc/60/53/14/553605314.db2.gz IHTKJRXCDBWOKT-LPHOPBHVSA-N 1 3 373.497 2.163 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)CCC[NH+]3CCCC3)cc2)CC1 ZINC000508400696 561761120 /nfs/dbraw/zinc/76/11/20/561761120.db2.gz IFJDTZMPKDILBT-UHFFFAOYSA-N 1 3 358.530 2.386 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1ccc2ccc(Cl)cc21 ZINC000530880296 562427216 /nfs/dbraw/zinc/42/72/16/562427216.db2.gz PNGZNDRWPGHJMF-UHFFFAOYSA-N 1 3 350.894 2.247 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000331481379 554272073 /nfs/dbraw/zinc/27/20/73/554272073.db2.gz IOGYUSDQIDIYSL-UKBAYJJMSA-N 1 3 366.550 2.177 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000510541516 561838244 /nfs/dbraw/zinc/83/82/44/561838244.db2.gz ZCBSMEWMLIFPHL-MOPGFXCFSA-N 1 3 362.518 2.042 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCCC[C@@H]3CN)CC2)cc1 ZINC000333173423 554583393 /nfs/dbraw/zinc/58/33/93/554583393.db2.gz QHRXLCHRSRIWML-VQIMIIECSA-N 1 3 365.543 2.255 20 0 FEADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000333226446 554591373 /nfs/dbraw/zinc/59/13/73/554591373.db2.gz BBOUCJXFQGIHBD-QFBILLFUSA-N 1 3 365.543 2.065 20 0 FEADHO CC(C)(C)CCN1CCN(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000333256610 554595334 /nfs/dbraw/zinc/59/53/34/554595334.db2.gz DGSYIHRUAMJBMR-MRXNPFEDSA-N 1 3 359.518 2.483 20 0 FEADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC[C@@H]1[NH3+] ZINC000333941760 554658883 /nfs/dbraw/zinc/65/88/83/554658883.db2.gz PHJCDKDBPSVGJB-VYDXJSESSA-N 1 3 350.532 2.339 20 0 FEADHO FC(F)(F)CCN1CCC([NH2+]C2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000360634971 554882584 /nfs/dbraw/zinc/88/25/84/554882584.db2.gz FMPXIOMHJVPKPI-OAHLLOKOSA-N 1 3 363.468 2.494 20 0 FEADHO CC(C)N1CCCC[C@H]1C(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000360963156 554898020 /nfs/dbraw/zinc/89/80/20/554898020.db2.gz VSLIEVXNBJURCH-FQEVSTJZSA-N 1 3 358.530 2.468 20 0 FEADHO C[C@@H]1CN(CCN2CCCc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362079582 554948568 /nfs/dbraw/zinc/94/85/68/554948568.db2.gz PUPBMAHVUWIIFU-TZIWHRDSSA-N 1 3 356.558 2.397 20 0 FEADHO CN(CC(=O)NCCC1=CCCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362719970 554983893 /nfs/dbraw/zinc/98/38/93/554983893.db2.gz QQKBFXZVIRWFMO-HXUWFJFHSA-N 1 3 362.562 2.093 20 0 FEADHO CC(C)(C)[NH+]1CCC(NC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000363109582 555032220 /nfs/dbraw/zinc/03/22/20/555032220.db2.gz ZZLWLLUROMBJGQ-UHFFFAOYSA-N 1 3 351.535 2.401 20 0 FEADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363390462 555093657 /nfs/dbraw/zinc/09/36/57/555093657.db2.gz SVGJLFFWIHLWAH-PMACEKPBSA-N 1 3 374.529 2.143 20 0 FEADHO C[C@@H](CNC(=O)c1cnn(CCN2CCCCC2)c1)C[NH+]1CCCCC1 ZINC000363408176 555098389 /nfs/dbraw/zinc/09/83/89/555098389.db2.gz OACXJCCGLODRSX-SFHVURJKSA-N 1 3 361.534 2.221 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000363523137 555127521 /nfs/dbraw/zinc/12/75/21/555127521.db2.gz SOLODSJKRGEOTL-MOPGFXCFSA-N 1 3 371.529 2.077 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000363523137 555127525 /nfs/dbraw/zinc/12/75/25/555127525.db2.gz SOLODSJKRGEOTL-MOPGFXCFSA-N 1 3 371.529 2.077 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000363593889 555143804 /nfs/dbraw/zinc/14/38/04/555143804.db2.gz SDAXWULTEGMFCN-AKHDSKFASA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000363593889 555143805 /nfs/dbraw/zinc/14/38/05/555143805.db2.gz SDAXWULTEGMFCN-AKHDSKFASA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363715320 555170183 /nfs/dbraw/zinc/17/01/83/555170183.db2.gz VDMMEHLWNLWVLY-SXLOBPIMSA-N 1 3 353.514 2.499 20 0 FEADHO C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363715320 555170185 /nfs/dbraw/zinc/17/01/85/555170185.db2.gz VDMMEHLWNLWVLY-SXLOBPIMSA-N 1 3 353.514 2.499 20 0 FEADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)CC1 ZINC000363863819 555202089 /nfs/dbraw/zinc/20/20/89/555202089.db2.gz BZSBPHBUCGKOKR-UHFFFAOYSA-N 1 3 368.529 2.117 20 0 FEADHO CCCN1CCC([NH2+][C@H]2C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000363916988 555213567 /nfs/dbraw/zinc/21/35/67/555213567.db2.gz FAZPZZSCOUOINZ-JKSUJKDBSA-N 1 3 369.506 2.001 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000363996047 555230185 /nfs/dbraw/zinc/23/01/85/555230185.db2.gz ILRNLSFKJXFPEF-GOSISDBHSA-N 1 3 368.566 2.129 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000363996047 555230187 /nfs/dbraw/zinc/23/01/87/555230187.db2.gz ILRNLSFKJXFPEF-GOSISDBHSA-N 1 3 368.566 2.129 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@]4(CCC[C@@H]4[NH3+])C3)cc2)CC1 ZINC000364201482 555268747 /nfs/dbraw/zinc/26/87/47/555268747.db2.gz XGMYGNYZGWESJB-PZJWPPBQSA-N 1 3 356.514 2.172 20 0 FEADHO CC(C)N1CCN(C2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)CC1 ZINC000365205273 555510641 /nfs/dbraw/zinc/51/06/41/555510641.db2.gz VAZQQRHCCXQXNA-UHFFFAOYSA-N 1 3 365.562 2.410 20 0 FEADHO CC(C)C[NH+]1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC000365884272 555692219 /nfs/dbraw/zinc/69/22/19/555692219.db2.gz SYPLAQYWAGBMNB-QGZVFWFLSA-N 1 3 366.550 2.002 20 0 FEADHO COC1(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCOCC1 ZINC000367674842 556111787 /nfs/dbraw/zinc/11/17/87/556111787.db2.gz WRAMULLARZYSFW-OAQYLSRUSA-N 1 3 373.541 2.074 20 0 FEADHO COC1(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCOCC1 ZINC000367674842 556111790 /nfs/dbraw/zinc/11/17/90/556111790.db2.gz WRAMULLARZYSFW-OAQYLSRUSA-N 1 3 373.541 2.074 20 0 FEADHO Cc1ccccc1CNC(=O)[C@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367685151 556114086 /nfs/dbraw/zinc/11/40/86/556114086.db2.gz PMAONBRTTVEYRJ-GHTZIAJQSA-N 1 3 372.557 2.100 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC000368153740 556231791 /nfs/dbraw/zinc/23/17/91/556231791.db2.gz USGJYYHMVBHCHY-UWVAXJGDSA-N 1 3 371.541 2.452 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC000368153740 556231793 /nfs/dbraw/zinc/23/17/93/556231793.db2.gz USGJYYHMVBHCHY-UWVAXJGDSA-N 1 3 371.541 2.452 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC000368153739 556231890 /nfs/dbraw/zinc/23/18/90/556231890.db2.gz USGJYYHMVBHCHY-FUHIMQAGSA-N 1 3 371.541 2.452 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC000368153739 556231894 /nfs/dbraw/zinc/23/18/94/556231894.db2.gz USGJYYHMVBHCHY-FUHIMQAGSA-N 1 3 371.541 2.452 20 0 FEADHO CC(C)(C)N1CC[C@](F)(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000368153686 556231972 /nfs/dbraw/zinc/23/19/72/556231972.db2.gz ULIOADMUBHMFDU-SQGPQFPESA-N 1 3 369.525 2.083 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@]3(CCN(C)C3)C2)C1 ZINC000368299764 556272350 /nfs/dbraw/zinc/27/23/50/556272350.db2.gz RXEZJSMEAHEALC-NSHGMRRFSA-N 1 3 350.551 2.482 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@]3(CCN(C)C3)C2)C1 ZINC000368299764 556272352 /nfs/dbraw/zinc/27/23/52/556272352.db2.gz RXEZJSMEAHEALC-NSHGMRRFSA-N 1 3 350.551 2.482 20 0 FEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000368454062 556313621 /nfs/dbraw/zinc/31/36/21/556313621.db2.gz JCWWRFIGFVXLPM-SFHVURJKSA-N 1 3 366.550 2.003 20 0 FEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000368454062 556313623 /nfs/dbraw/zinc/31/36/23/556313623.db2.gz JCWWRFIGFVXLPM-SFHVURJKSA-N 1 3 366.550 2.003 20 0 FEADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000369016938 556477485 /nfs/dbraw/zinc/47/74/85/556477485.db2.gz PZSOWIUTNHATAJ-SCTDSRPQSA-N 1 3 351.535 2.209 20 0 FEADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000369016938 556477488 /nfs/dbraw/zinc/47/74/88/556477488.db2.gz PZSOWIUTNHATAJ-SCTDSRPQSA-N 1 3 351.535 2.209 20 0 FEADHO CC(C)CN1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000369195869 556531956 /nfs/dbraw/zinc/53/19/56/556531956.db2.gz KFFROHNFMXTZPT-HXUWFJFHSA-N 1 3 373.545 2.277 20 0 FEADHO CC(C)CN1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000369195869 556531960 /nfs/dbraw/zinc/53/19/60/556531960.db2.gz KFFROHNFMXTZPT-HXUWFJFHSA-N 1 3 373.545 2.277 20 0 FEADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000369661127 556662054 /nfs/dbraw/zinc/66/20/54/556662054.db2.gz OYAYGYHOFDPJOX-AHRSYUTCSA-N 1 3 359.514 2.367 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000369661127 556662058 /nfs/dbraw/zinc/66/20/58/556662058.db2.gz OYAYGYHOFDPJOX-AHRSYUTCSA-N 1 3 359.514 2.367 20 0 FEADHO CN(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000369856969 556713789 /nfs/dbraw/zinc/71/37/89/556713789.db2.gz DVXYEBGKOCZLFN-BWPNAZKDSA-N 1 3 356.514 2.482 20 0 FEADHO CN(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000369856969 556713793 /nfs/dbraw/zinc/71/37/93/556713793.db2.gz DVXYEBGKOCZLFN-BWPNAZKDSA-N 1 3 356.514 2.482 20 0 FEADHO CN1CC[C@@H](CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)[C@@H]1c1cccnc1 ZINC000369891327 556722631 /nfs/dbraw/zinc/72/26/31/556722631.db2.gz DELACSXVLZYPGQ-OKYOBFRVSA-N 1 3 359.518 2.246 20 0 FEADHO CCCC[N@H+](C)CC1CCN([C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000370047665 556766721 /nfs/dbraw/zinc/76/67/21/556766721.db2.gz ZHIXIHJCBHGUPZ-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO CCCC[N@@H+](C)CC1CCN([C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000370047665 556766723 /nfs/dbraw/zinc/76/67/23/556766723.db2.gz ZHIXIHJCBHGUPZ-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000370120779 556786453 /nfs/dbraw/zinc/78/64/53/556786453.db2.gz KBEGXHXPGLEATP-MSOLQXFVSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000370120779 556786454 /nfs/dbraw/zinc/78/64/54/556786454.db2.gz KBEGXHXPGLEATP-MSOLQXFVSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000370126645 556787453 /nfs/dbraw/zinc/78/74/53/556787453.db2.gz QQEWNVFZZXZQHJ-LFDJNIOPSA-N 1 3 366.550 2.048 20 0 FEADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nccn1-c1ccccc1 ZINC000516675134 562053950 /nfs/dbraw/zinc/05/39/50/562053950.db2.gz KXJQAUBTZRSRRJ-QGZVFWFLSA-N 1 3 372.517 2.068 20 0 FEADHO CC1CC[NH+](CC2CCN(C[C@H]3CCCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000370346338 556846145 /nfs/dbraw/zinc/84/61/45/556846145.db2.gz FMBWCUWNDAAJCM-LJQANCHMSA-N 1 3 371.591 2.102 20 0 FEADHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N(C)C2CCN(c3ccncc3)CC2)C1 ZINC000370405766 556862402 /nfs/dbraw/zinc/86/24/02/556862402.db2.gz XGFZEACWOJQFNE-QFBILLFUSA-N 1 3 359.518 2.421 20 0 FEADHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N(C)C2CCN(c3ccncc3)CC2)C1 ZINC000370405766 556862404 /nfs/dbraw/zinc/86/24/04/556862404.db2.gz XGFZEACWOJQFNE-QFBILLFUSA-N 1 3 359.518 2.421 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000370736160 556953175 /nfs/dbraw/zinc/95/31/75/556953175.db2.gz BFXZEDQWLYBAEO-MOPGFXCFSA-N 1 3 372.513 2.210 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000370736160 556953176 /nfs/dbraw/zinc/95/31/76/556953176.db2.gz BFXZEDQWLYBAEO-MOPGFXCFSA-N 1 3 372.513 2.210 20 0 FEADHO COCC[C@]1(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)CC[NH2+]C1 ZINC000371271707 557126345 /nfs/dbraw/zinc/12/63/45/557126345.db2.gz UVISSIBJYOAVIY-GOSISDBHSA-N 1 3 369.893 2.235 20 0 FEADHO CN(CCC(=O)Nc1ccc(F)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371423181 557182312 /nfs/dbraw/zinc/18/23/12/557182312.db2.gz BCCZELUUUFLGEU-IBGZPJMESA-N 1 3 362.493 2.255 20 0 FEADHO CN(CCC(=O)Nc1ccc(F)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371423181 557182315 /nfs/dbraw/zinc/18/23/15/557182315.db2.gz BCCZELUUUFLGEU-IBGZPJMESA-N 1 3 362.493 2.255 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000371792966 557294829 /nfs/dbraw/zinc/29/48/29/557294829.db2.gz QSZJRDPGXQOKGN-OALUTQOASA-N 1 3 351.535 2.257 20 0 FEADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000518345370 562109151 /nfs/dbraw/zinc/10/91/51/562109151.db2.gz DUMZCWBTHIVFIC-AHRSYUTCSA-N 1 3 374.529 2.045 20 0 FEADHO COCCN(C)CCCNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000518403893 562110756 /nfs/dbraw/zinc/11/07/56/562110756.db2.gz WWHIZAHTSQMQRY-CALCHBBNSA-N 1 3 356.555 2.010 20 0 FEADHO COCCN(C)CCCNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000518403893 562110757 /nfs/dbraw/zinc/11/07/57/562110757.db2.gz WWHIZAHTSQMQRY-CALCHBBNSA-N 1 3 356.555 2.010 20 0 FEADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC1=CCN(C)CC1 ZINC000372140113 557390148 /nfs/dbraw/zinc/39/01/48/557390148.db2.gz KBJRKQQHJSKUMZ-NVXWUHKLSA-N 1 3 353.507 2.252 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000519382196 562130584 /nfs/dbraw/zinc/13/05/84/562130584.db2.gz PLPUGTSNBRZDHJ-UHFFFAOYSA-N 1 3 356.555 2.294 20 0 FEADHO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cccc(OCCN(C)C)c1 ZINC000372781269 557561199 /nfs/dbraw/zinc/56/11/99/557561199.db2.gz MTEKQBWYTKRSBT-WMZOPIPTSA-N 1 3 357.502 2.290 20 0 FEADHO C[C@@H](CCS(C)(=O)=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000373218372 557652312 /nfs/dbraw/zinc/65/23/12/557652312.db2.gz UKGANYBAYQYZIP-RDJZCZTQSA-N 1 3 366.527 2.387 20 0 FEADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000373260573 557660576 /nfs/dbraw/zinc/66/05/76/557660576.db2.gz LZODMKCCJNDYMY-ZWKOTPCHSA-N 1 3 366.550 2.146 20 0 FEADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000373260573 557660577 /nfs/dbraw/zinc/66/05/77/557660577.db2.gz LZODMKCCJNDYMY-ZWKOTPCHSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000373347610 557677032 /nfs/dbraw/zinc/67/70/32/557677032.db2.gz CDPFEBFQQRLEPE-ROUUACIJSA-N 1 3 363.546 2.353 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000373347610 557677034 /nfs/dbraw/zinc/67/70/34/557677034.db2.gz CDPFEBFQQRLEPE-ROUUACIJSA-N 1 3 363.546 2.353 20 0 FEADHO C[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000374259691 557853909 /nfs/dbraw/zinc/85/39/09/557853909.db2.gz QHQGVMYYHQYEGZ-GOSISDBHSA-N 1 3 353.514 2.473 20 0 FEADHO C[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000374259691 557853910 /nfs/dbraw/zinc/85/39/10/557853910.db2.gz QHQGVMYYHQYEGZ-GOSISDBHSA-N 1 3 353.514 2.473 20 0 FEADHO C[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)CCN1C1CC[NH+](C)CC1 ZINC000374259691 557853912 /nfs/dbraw/zinc/85/39/12/557853912.db2.gz QHQGVMYYHQYEGZ-GOSISDBHSA-N 1 3 353.514 2.473 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)CC1 ZINC000374330728 557866950 /nfs/dbraw/zinc/86/69/50/557866950.db2.gz XGAZOQDHUYJZGD-IBGZPJMESA-N 1 3 373.545 2.148 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)CC1 ZINC000374330728 557866951 /nfs/dbraw/zinc/86/69/51/557866951.db2.gz XGAZOQDHUYJZGD-IBGZPJMESA-N 1 3 373.545 2.148 20 0 FEADHO C[N@@H+]1CCCC12CCN(C(=O)CCN1CCN(c3ccccc3)CC1)CC2 ZINC000374856507 557941467 /nfs/dbraw/zinc/94/14/67/557941467.db2.gz LKMHSLLYLLGDKY-UHFFFAOYSA-N 1 3 370.541 2.286 20 0 FEADHO C[N@H+]1CCCC12CCN(C(=O)CCN1CCN(c3ccccc3)CC1)CC2 ZINC000374856507 557941468 /nfs/dbraw/zinc/94/14/68/557941468.db2.gz LKMHSLLYLLGDKY-UHFFFAOYSA-N 1 3 370.541 2.286 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000521216472 562171926 /nfs/dbraw/zinc/17/19/26/562171926.db2.gz PSRFXAZBKGDQKL-IAGOWNOFSA-N 1 3 366.550 2.097 20 0 FEADHO [NH3+]CCc1nc(C(=O)NC[C@H]2CCCN2CCc2ccccc2)cs1 ZINC000375644852 558061510 /nfs/dbraw/zinc/06/15/10/558061510.db2.gz OSYFXYCSYLZJLC-MRXNPFEDSA-N 1 3 358.511 2.081 20 0 FEADHO CN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000522638888 562200871 /nfs/dbraw/zinc/20/08/71/562200871.db2.gz KRXXAODOVXGVMK-OAQYLSRUSA-N 1 3 370.541 2.141 20 0 FEADHO NC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000378561645 558583514 /nfs/dbraw/zinc/58/35/14/558583514.db2.gz CYFGWQLBWCZQKR-DFQSSKMNSA-N 1 3 356.514 2.420 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCCN(C(C)C)CC2)[C@H](C)C1 ZINC000523769174 562219414 /nfs/dbraw/zinc/21/94/14/562219414.db2.gz KAHGERCTYJPSMY-RTBURBONSA-N 1 3 368.566 2.249 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCCN(C(C)C)CC2)[C@H](C)C1 ZINC000523769174 562219415 /nfs/dbraw/zinc/21/94/15/562219415.db2.gz KAHGERCTYJPSMY-RTBURBONSA-N 1 3 368.566 2.249 20 0 FEADHO COCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000398021515 558625283 /nfs/dbraw/zinc/62/52/83/558625283.db2.gz CCXVMJKKVJRXJG-IEBWSBKVSA-N 1 3 359.514 2.029 20 0 FEADHO CCN1CCC(NC(=O)CN[C@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000411556074 558916613 /nfs/dbraw/zinc/91/66/13/558916613.db2.gz XHRLGFUOZATEQN-MJGOQNOKSA-N 1 3 352.567 2.077 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000411671500 558940471 /nfs/dbraw/zinc/94/04/71/558940471.db2.gz MBCNRLOJYOTROV-KRWDZBQOSA-N 1 3 374.529 2.315 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000411671500 558940472 /nfs/dbraw/zinc/94/04/72/558940472.db2.gz MBCNRLOJYOTROV-KRWDZBQOSA-N 1 3 374.529 2.315 20 0 FEADHO CN1CCC(C[NH2+]C2CCC(C(F)(F)F)CC2)(N2CCOCC2)CC1 ZINC000414179856 559151617 /nfs/dbraw/zinc/15/16/17/559151617.db2.gz APIIIANCCUAXNN-UHFFFAOYSA-N 1 3 363.468 2.494 20 0 FEADHO Cc1nn(-c2cccc(F)c2)cc1CNCCN1CCC([NH+](C)C)CC1 ZINC000414360167 559158257 /nfs/dbraw/zinc/15/82/57/559158257.db2.gz GHLSXBLNFCLCTE-UHFFFAOYSA-N 1 3 359.493 2.435 20 0 FEADHO CN1CCC(C[NH2+]Cc2cc(F)cc3cccnc32)(N2CCOCC2)CC1 ZINC000414477426 559167556 /nfs/dbraw/zinc/16/75/56/559167556.db2.gz BSQBNDJZYOSDDE-UHFFFAOYSA-N 1 3 372.488 2.260 20 0 FEADHO CCS(=O)(=O)CCCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000414540570 559170562 /nfs/dbraw/zinc/17/05/62/559170562.db2.gz GXGPYLSOPMHHDR-UHFFFAOYSA-N 1 3 367.559 2.131 20 0 FEADHO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNC2)[NH+]1CCCCCC1 ZINC000414685138 559179610 /nfs/dbraw/zinc/17/96/10/559179610.db2.gz YCYKWKFOTDWMFN-LJQANCHMSA-N 1 3 372.513 2.245 20 0 FEADHO CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414694422 559180174 /nfs/dbraw/zinc/18/01/74/559180174.db2.gz SSMRRFLCZVCMTM-ZJOUEHCJSA-N 1 3 372.557 2.341 20 0 FEADHO CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414694422 559180176 /nfs/dbraw/zinc/18/01/76/559180176.db2.gz SSMRRFLCZVCMTM-ZJOUEHCJSA-N 1 3 372.557 2.341 20 0 FEADHO CCC[NH+]1CCN(c2ccccc2CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)CC1 ZINC000527053991 562274951 /nfs/dbraw/zinc/27/49/51/562274951.db2.gz XYORBDLPFWXUBB-FBBABVLZSA-N 1 3 370.541 2.304 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c1 ZINC000414756557 559185367 /nfs/dbraw/zinc/18/53/67/559185367.db2.gz QXNJMNSBQMLXRH-BBWFWOEESA-N 1 3 374.529 2.217 20 0 FEADHO C[C@@H]1C[C@H](CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC[NH2+]1 ZINC000414762689 559186192 /nfs/dbraw/zinc/18/61/92/559186192.db2.gz WLBOQFKBCYBFHG-VXGBXAGGSA-N 1 3 363.453 2.457 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)[C@H]3CCCNC3)CC2)cc1 ZINC000414857697 559191190 /nfs/dbraw/zinc/19/11/90/559191190.db2.gz QCFRZAUGXWMPNM-SJORKVTESA-N 1 3 365.543 2.126 20 0 FEADHO COc1ccc(CNCCN2CC[NH2+]CC2)cc1OCc1ccccc1 ZINC000414869554 559191971 /nfs/dbraw/zinc/19/19/71/559191971.db2.gz RETMTICSNODCNO-UHFFFAOYSA-N 1 3 355.482 2.269 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@]3(C)CCCNC3)CC2)cc1 ZINC000414898176 559194150 /nfs/dbraw/zinc/19/41/50/559194150.db2.gz AUACNJXBXOOQES-LJQANCHMSA-N 1 3 365.543 2.127 20 0 FEADHO CCCN1CCN(c2ccccc2CNC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000414938267 559195873 /nfs/dbraw/zinc/19/58/73/559195873.db2.gz DZYLHGHYUICAPL-OAQYLSRUSA-N 1 3 360.546 2.077 20 0 FEADHO FC(F)(F)[C@@H](CNCc1ccc(Br)s1)N1CC[NH2+]CC1 ZINC000414968086 559197631 /nfs/dbraw/zinc/19/76/31/559197631.db2.gz FMKDBUVQTSCDSG-SNVBAGLBSA-N 1 3 372.254 2.436 20 0 FEADHO COc1cc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)ccc1SC ZINC000414984843 559198801 /nfs/dbraw/zinc/19/88/01/559198801.db2.gz GXBAORMHVQMCOK-BEFAXECRSA-N 1 3 363.527 2.154 20 0 FEADHO FC(F)(F)[C@H](CNCc1c[nH]nc1-c1cccs1)N1CC[NH2+]CC1 ZINC000414998871 559199816 /nfs/dbraw/zinc/19/98/16/559199816.db2.gz ZVUUMDVXWMINAR-ZDUSSCGKSA-N 1 3 359.421 2.064 20 0 FEADHO O=C(COc1ccccc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1)NCC1CC1 ZINC000415011661 559200593 /nfs/dbraw/zinc/20/05/93/559200593.db2.gz RCXKHNMINNZAJW-RBUKOAKNSA-N 1 3 357.498 2.069 20 0 FEADHO C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@@H](C)CN1 ZINC000415064851 559203335 /nfs/dbraw/zinc/20/33/35/559203335.db2.gz DXJYXYBYPPKPPL-CVEARBPZSA-N 1 3 362.543 2.492 20 0 FEADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000415116701 559205996 /nfs/dbraw/zinc/20/59/96/559205996.db2.gz ZQMXMVJFZRDWNV-BVBHFADKSA-N 1 3 351.514 2.233 20 0 FEADHO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC(O)(C[NH3+])CC1 ZINC000415142261 559208440 /nfs/dbraw/zinc/20/84/40/559208440.db2.gz PSZCNLDZDDMGQY-UHFFFAOYSA-N 1 3 362.905 2.487 20 0 FEADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000415162079 559210690 /nfs/dbraw/zinc/21/06/90/559210690.db2.gz VVSBGJDKLXMVNH-KXBFYZLASA-N 1 3 368.481 2.152 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1CNC ZINC000415164315 559210750 /nfs/dbraw/zinc/21/07/50/559210750.db2.gz KYMBUATXPYUGJI-PKOBYXMFSA-N 1 3 374.529 2.361 20 0 FEADHO Cc1ccc(NC(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000415198589 559214187 /nfs/dbraw/zinc/21/41/87/559214187.db2.gz COPDBBRDTGQQFC-ZBFHGGJFSA-N 1 3 364.490 2.170 20 0 FEADHO CCCC[C@H](CN)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415499007 559243738 /nfs/dbraw/zinc/24/37/38/559243738.db2.gz KLZXDYURHCVNPT-LJQANCHMSA-N 1 3 374.529 2.287 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C1 ZINC000416048579 559290690 /nfs/dbraw/zinc/29/06/90/559290690.db2.gz QCWVEHCKCHOTOF-GOEBONIOSA-N 1 3 372.435 2.430 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC(=O)CCN2CCc3ccccc3C2)CCCO1 ZINC000416219442 559299315 /nfs/dbraw/zinc/29/93/15/559299315.db2.gz HMKYPZWIKFBVPF-GOSISDBHSA-N 1 3 359.514 2.052 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC(=O)CCN2CCc3ccccc3C2)CCCO1 ZINC000416219442 559299316 /nfs/dbraw/zinc/29/93/16/559299316.db2.gz HMKYPZWIKFBVPF-GOSISDBHSA-N 1 3 359.514 2.052 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)c1cccc(OC)c1 ZINC000416905914 559337439 /nfs/dbraw/zinc/33/74/39/559337439.db2.gz GTFHYRRZHDBLLK-MSOLQXFVSA-N 1 3 350.507 2.361 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1cccc(OC)c1 ZINC000416905686 559337551 /nfs/dbraw/zinc/33/75/51/559337551.db2.gz GPZKFBJKTTXAFO-ATZDWAIDSA-N 1 3 362.518 2.375 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000416967024 559340696 /nfs/dbraw/zinc/34/06/96/559340696.db2.gz GNJGREBIVMJFHP-MOPGFXCFSA-N 1 3 374.529 2.158 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC3CCN(CCc4ccccc4)CC3)C[C@@H]21 ZINC000416970332 559340861 /nfs/dbraw/zinc/34/08/61/559340861.db2.gz DZLFECYWSDXTJP-HLAWJBBLSA-N 1 3 370.541 2.462 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000417060682 559346228 /nfs/dbraw/zinc/34/62/28/559346228.db2.gz DTMAHLVXTFQZHP-VQTJNVASSA-N 1 3 352.482 2.385 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417093476 559347419 /nfs/dbraw/zinc/34/74/19/559347419.db2.gz BIKXAVDQFQLLQS-GOSISDBHSA-N 1 3 366.575 2.133 20 0 FEADHO CC1CCN([C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)CC1 ZINC000417213845 559353331 /nfs/dbraw/zinc/35/33/31/559353331.db2.gz JWTACPGKYPTXAQ-ZCNNSNEGSA-N 1 3 356.514 2.320 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000417338930 559358492 /nfs/dbraw/zinc/35/84/92/559358492.db2.gz ZPRYCZDZTBJBDX-QFBILLFUSA-N 1 3 374.529 2.286 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417367081 559359509 /nfs/dbraw/zinc/35/95/09/559359509.db2.gz PJNIIBMGLAXPNH-IBGZPJMESA-N 1 3 374.529 2.301 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000417516200 559365656 /nfs/dbraw/zinc/36/56/56/559365656.db2.gz NEZZJQZTCRJTRN-AABGKKOBSA-N 1 3 374.529 2.232 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000417518133 559365722 /nfs/dbraw/zinc/36/57/22/559365722.db2.gz RTSDWFUXGZKOEW-QRQLOZEOSA-N 1 3 362.518 2.075 20 0 FEADHO CCC(CC)(CNC(=O)NC[C@H]1CNCCO1)[NH2+][C@H](C)c1ccccc1 ZINC000417707287 559373454 /nfs/dbraw/zinc/37/34/54/559373454.db2.gz QFQPLLPQHNMNQY-SJLPKXTDSA-N 1 3 362.518 2.184 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000417827656 559378067 /nfs/dbraw/zinc/37/80/67/559378067.db2.gz DOOYQXWJDSOBSN-BTHPGYMESA-N 1 3 356.514 2.290 20 0 FEADHO O=C(NCCCOC1CCN(Cc2ccccc2)CC1)N[C@H]1CCC[NH2+]C1 ZINC000417828963 559378144 /nfs/dbraw/zinc/37/81/44/559378144.db2.gz QUZODZUUHIXJRB-IBGZPJMESA-N 1 3 374.529 2.109 20 0 FEADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418077689 559389275 /nfs/dbraw/zinc/38/92/75/559389275.db2.gz UKKWURBWGOBOKV-MOPGFXCFSA-N 1 3 362.518 2.094 20 0 FEADHO C[C@@H]1NCCN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H]1C ZINC000418104169 559390138 /nfs/dbraw/zinc/39/01/38/559390138.db2.gz JYAGMXMBXNSPTE-XOEAPDPESA-N 1 3 362.440 2.184 20 0 FEADHO CO[C@H]1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000418155790 559392130 /nfs/dbraw/zinc/39/21/30/559392130.db2.gz AAGLXQHQQJUFAO-MSOLQXFVSA-N 1 3 366.550 2.180 20 0 FEADHO CO[C@@H]1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000418155791 559392170 /nfs/dbraw/zinc/39/21/70/559392170.db2.gz AAGLXQHQQJUFAO-QZTJIDSGSA-N 1 3 366.550 2.180 20 0 FEADHO C[C@H](NC(=O)N1CCC(OCCC[NH3+])CC1)[C@@H](c1ccccc1)N(C)C ZINC000418191595 559393553 /nfs/dbraw/zinc/39/35/53/559393553.db2.gz XLKUZZOGEGLJAA-LPHOPBHVSA-N 1 3 362.518 2.217 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)N(C)C)cc1 ZINC000418193576 559393622 /nfs/dbraw/zinc/39/36/22/559393622.db2.gz DCKNLABGZRQQIZ-FCEWJHQRSA-N 1 3 362.518 2.455 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCN[C@H](C)[C@H]2C)N(C)C)cc1 ZINC000418214695 559394246 /nfs/dbraw/zinc/39/42/46/559394246.db2.gz XPVFSRVZNWKNHQ-MDZRGWNJSA-N 1 3 362.518 2.468 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)N(C)C)cc1 ZINC000418214695 559394247 /nfs/dbraw/zinc/39/42/47/559394247.db2.gz XPVFSRVZNWKNHQ-MDZRGWNJSA-N 1 3 362.518 2.468 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCN[C@H](C)[C@H]2C)[NH+](C)C)cc1 ZINC000418214695 559394248 /nfs/dbraw/zinc/39/42/48/559394248.db2.gz XPVFSRVZNWKNHQ-MDZRGWNJSA-N 1 3 362.518 2.468 20 0 FEADHO O=C(NC[C@@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418359400 559398970 /nfs/dbraw/zinc/39/89/70/559398970.db2.gz FDSGCGYCQLIXIQ-FPOVZHCZSA-N 1 3 356.514 2.436 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418452397 559402219 /nfs/dbraw/zinc/40/22/19/559402219.db2.gz XPVZIZNZXGRXAX-UHFFFAOYSA-N 1 3 361.534 2.467 20 0 FEADHO N[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000418460181 559402661 /nfs/dbraw/zinc/40/26/61/559402661.db2.gz ZXCXYLYRYPIPIE-LZQZEXGQSA-N 1 3 374.435 2.410 20 0 FEADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418584144 559407028 /nfs/dbraw/zinc/40/70/28/559407028.db2.gz BUZQBUZRYWQNFT-WMLDXEAASA-N 1 3 352.910 2.411 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)o1 ZINC000418638815 559409018 /nfs/dbraw/zinc/40/90/18/559409018.db2.gz KYDKYRKSYBKVTR-QGZVFWFLSA-N 1 3 350.507 2.439 20 0 FEADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000418655412 559409743 /nfs/dbraw/zinc/40/97/43/559409743.db2.gz CKAIOXWTRDTALR-RBUKOAKNSA-N 1 3 360.502 2.274 20 0 FEADHO CN(C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418656330 559409984 /nfs/dbraw/zinc/40/99/84/559409984.db2.gz FMPIOOYNKNPMDL-SLFFLAALSA-N 1 3 356.514 2.290 20 0 FEADHO COC[C@@]1(CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000418661258 559410277 /nfs/dbraw/zinc/41/02/77/559410277.db2.gz YYECWXPNJYOSDK-FPOVZHCZSA-N 1 3 374.529 2.061 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418726258 559412689 /nfs/dbraw/zinc/41/26/89/559412689.db2.gz PJNKYPFBUXBHBQ-MAUKXSAKSA-N 1 3 350.482 2.416 20 0 FEADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CNCCC1(F)F ZINC000418778103 559415559 /nfs/dbraw/zinc/41/55/59/559415559.db2.gz YQQFPEGTDOTJEY-SJORKVTESA-N 1 3 366.456 2.147 20 0 FEADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CNCCC1(F)F ZINC000418778103 559415560 /nfs/dbraw/zinc/41/55/60/559415560.db2.gz YQQFPEGTDOTJEY-SJORKVTESA-N 1 3 366.456 2.147 20 0 FEADHO O=C1[C@@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCCN1Cc1ccc(F)cc1F ZINC000420325184 559480682 /nfs/dbraw/zinc/48/06/82/559480682.db2.gz BENSKTCLCVGISH-KHYOSLBOSA-N 1 3 363.452 2.387 20 0 FEADHO CCOc1ccc(CN(C)C(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420338966 559481676 /nfs/dbraw/zinc/48/16/76/559481676.db2.gz LCPPLSOJVQXZQZ-MOPGFXCFSA-N 1 3 359.514 2.365 20 0 FEADHO Cc1ccc(NC(=O)NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420344938 559482023 /nfs/dbraw/zinc/48/20/23/559482023.db2.gz VBUQDNAVSFHNJZ-SJORKVTESA-N 1 3 358.486 2.273 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000420906311 559510547 /nfs/dbraw/zinc/51/05/47/559510547.db2.gz RNGBKFYKWFYPNX-UHFFFAOYSA-N 1 3 354.539 2.048 20 0 FEADHO COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000421832757 559554697 /nfs/dbraw/zinc/55/46/97/559554697.db2.gz MZBLYCBKMIVCAJ-MRXNPFEDSA-N 1 3 369.937 2.389 20 0 FEADHO CCOC(=O)C1([C@H](C)N[C@H]2CCCN(c3ccccc3)C2=O)CC[NH2+]CC1 ZINC000422746757 559605364 /nfs/dbraw/zinc/60/53/64/559605364.db2.gz XFTAYJPVGABGAH-WMZOPIPTSA-N 1 3 373.497 2.093 20 0 FEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000422755297 559605564 /nfs/dbraw/zinc/60/55/64/559605564.db2.gz BBUPHHSYIQNASF-IEBWSBKVSA-N 1 3 365.543 2.468 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000422767439 559606046 /nfs/dbraw/zinc/60/60/46/559606046.db2.gz MZYGGZGCUXXSRR-FUHWJXTLSA-N 1 3 351.516 2.078 20 0 FEADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2)CCO1 ZINC000422904723 559610538 /nfs/dbraw/zinc/61/05/38/559610538.db2.gz QMULFSQXBHVNLH-BRKWEVRTSA-N 1 3 373.541 2.154 20 0 FEADHO CN(C)CCNC(=O)c1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422913075 559611277 /nfs/dbraw/zinc/61/12/77/559611277.db2.gz XQOVADNZQWIHLJ-QHAWAJNXSA-N 1 3 372.557 2.378 20 0 FEADHO COC[C@H](CCC[NH3+])NCc1cc(Br)c2c(c1)OCCO2 ZINC000422932215 559611785 /nfs/dbraw/zinc/61/17/85/559611785.db2.gz FCPGHUBHLYNWEN-LBPRGKRZSA-N 1 3 359.264 2.064 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2cccnc2OCC(F)F)CC[NH2+]CC1 ZINC000423030263 559615785 /nfs/dbraw/zinc/61/57/85/559615785.db2.gz VVLXBSULSFWJPM-ZDUSSCGKSA-N 1 3 371.428 2.137 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2ccncc2OCC(F)F)CC[NH2+]CC1 ZINC000423111394 559619550 /nfs/dbraw/zinc/61/95/50/559619550.db2.gz WMTBVAIAPVBLKP-ZDUSSCGKSA-N 1 3 371.428 2.137 20 0 FEADHO C[C@@H]([NH2+][C@@H](CN)C1CCCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423262026 559624111 /nfs/dbraw/zinc/62/41/11/559624111.db2.gz LLRIMCXRDSSBME-KDOFPFPSSA-N 1 3 353.532 2.495 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3[NH2+]CCCC3(C)C)CC2)C[C@H](C)O1 ZINC000423363717 559626733 /nfs/dbraw/zinc/62/67/33/559626733.db2.gz VBMYHVVXDWKIBM-JZXOWHBKSA-N 1 3 351.535 2.112 20 0 FEADHO COc1cc2c(cc1F)CC[C@@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423392320 559627651 /nfs/dbraw/zinc/62/76/51/559627651.db2.gz QCUKHJAZSFGKIY-HOCLYGCPSA-N 1 3 361.383 2.247 20 0 FEADHO CN(C)C[C@@H](NC(=O)COC1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000423778869 559639185 /nfs/dbraw/zinc/63/91/85/559639185.db2.gz UJFDZVRSPNHPDC-OFLPRAFFSA-N 1 3 353.894 2.345 20 0 FEADHO [NH3+]C1CCC(OCC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000424218418 559658251 /nfs/dbraw/zinc/65/82/51/559658251.db2.gz TVSDKCVHPOMODB-DCCYDQLOSA-N 1 3 357.498 2.006 20 0 FEADHO C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424293745 559660852 /nfs/dbraw/zinc/66/08/52/559660852.db2.gz PWKKBPWPMQKLAX-LSDHHAIUSA-N 1 3 365.468 2.476 20 0 FEADHO C[C@@H](NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000424475404 559666729 /nfs/dbraw/zinc/66/67/29/559666729.db2.gz JIYCQTPNSGHVFJ-BTHPGYMESA-N 1 3 356.514 2.290 20 0 FEADHO CCN(CCN1CCCCCC1)C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424475868 559666768 /nfs/dbraw/zinc/66/67/68/559666768.db2.gz ZIBXMPKUUUZGNT-UHFFFAOYSA-N 1 3 360.502 2.117 20 0 FEADHO COc1cc(NC(=O)CNC2CCN(c3cc[nH+]cc3)CC2)cc(OC)c1 ZINC000425349604 559697792 /nfs/dbraw/zinc/69/77/92/559697792.db2.gz GKJRORIWLDGXDZ-UHFFFAOYSA-N 1 3 370.453 2.296 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CN1Cc1ccccc1 ZINC000425706125 559715593 /nfs/dbraw/zinc/71/55/93/559715593.db2.gz UMJZUDBZQFTYAS-BTHPGYMESA-N 1 3 356.514 2.385 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CN1Cc1ccccc1 ZINC000425706125 559715594 /nfs/dbraw/zinc/71/55/94/559715594.db2.gz UMJZUDBZQFTYAS-BTHPGYMESA-N 1 3 356.514 2.385 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4cccc(F)c43)CC2)CC1 ZINC000426310658 559732454 /nfs/dbraw/zinc/73/24/54/559732454.db2.gz OSOOGBVVMCTTCM-UHFFFAOYSA-N 1 3 360.477 2.456 20 0 FEADHO CN1CCN(CCCNC(=O)C[C@H]2CCC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000427291303 559752305 /nfs/dbraw/zinc/75/23/05/559752305.db2.gz FDPICEIRFBHVSF-PZJWPPBQSA-N 1 3 372.557 2.261 20 0 FEADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429034329 559789429 /nfs/dbraw/zinc/78/94/29/559789429.db2.gz IRMDQQGNPVMMCC-HXUWFJFHSA-N 1 3 374.529 2.015 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@H](C)N2CCC([C@H](C)[NH3+])CC2)cc1F ZINC000430936213 559830872 /nfs/dbraw/zinc/83/08/72/559830872.db2.gz SYOFCJHMXNJIHP-KBPBESRZSA-N 1 3 351.466 2.240 20 0 FEADHO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000431806031 559846324 /nfs/dbraw/zinc/84/63/24/559846324.db2.gz YRZWVGSRKCHJEY-PMACEKPBSA-N 1 3 359.514 2.134 20 0 FEADHO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000431806031 559846325 /nfs/dbraw/zinc/84/63/25/559846325.db2.gz YRZWVGSRKCHJEY-PMACEKPBSA-N 1 3 359.514 2.134 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000432941436 559868432 /nfs/dbraw/zinc/86/84/32/559868432.db2.gz VWRJQLZJCWIDJB-MRXNPFEDSA-N 1 3 353.532 2.291 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000432941436 559868433 /nfs/dbraw/zinc/86/84/33/559868433.db2.gz VWRJQLZJCWIDJB-MRXNPFEDSA-N 1 3 353.532 2.291 20 0 FEADHO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCCC2)cc1 ZINC000433104498 559871818 /nfs/dbraw/zinc/87/18/18/559871818.db2.gz XMMFDKMYJWCZNN-SFHVURJKSA-N 1 3 365.543 2.387 20 0 FEADHO C[C@@H](c1ccc(NC(=O)CCCN2CCC([NH3+])CC2)cc1)N1CCOCC1 ZINC000433117213 559872235 /nfs/dbraw/zinc/87/22/35/559872235.db2.gz NCCPKHOQFWTKSU-KRWDZBQOSA-N 1 3 374.529 2.222 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433125040 559872625 /nfs/dbraw/zinc/87/26/25/559872625.db2.gz HVYZJVCORSDSHL-XLIONFOSSA-N 1 3 358.530 2.141 20 0 FEADHO C[C@@H]1CCC[C@](CNC(=O)NCCCN2CCCO[C@H](C)C2)([NH+](C)C)C1 ZINC000433333876 559877231 /nfs/dbraw/zinc/87/72/31/559877231.db2.gz ISSXWWWXUGMYQP-GGPKGHCWSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCCO1 ZINC000433446433 559881425 /nfs/dbraw/zinc/88/14/25/559881425.db2.gz GPJOSJRYSRWRMT-GOSISDBHSA-N 1 3 366.550 2.147 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC000433451645 559881777 /nfs/dbraw/zinc/88/17/77/559881777.db2.gz RLAMYJJKQAIHOB-MSOLQXFVSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC000433451645 559881778 /nfs/dbraw/zinc/88/17/78/559881778.db2.gz RLAMYJJKQAIHOB-MSOLQXFVSA-N 1 3 354.539 2.003 20 0 FEADHO CC[C@@H](C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)N(CC)CC ZINC000433547741 559883893 /nfs/dbraw/zinc/88/38/93/559883893.db2.gz JDCDRCMHBGCMNE-IBGZPJMESA-N 1 3 352.567 2.124 20 0 FEADHO COc1ccc(-c2ccncc2)cc1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000435373602 559921587 /nfs/dbraw/zinc/92/15/87/559921587.db2.gz VHRIXYDWMSOYAI-SFHVURJKSA-N 1 3 368.481 2.044 20 0 FEADHO Cc1ccc(-c2n[nH]cc2CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)o1 ZINC000435375491 559921597 /nfs/dbraw/zinc/92/15/97/559921597.db2.gz MPPCYBHYGBUXHF-RDJZCZTQSA-N 1 3 371.485 2.058 20 0 FEADHO CC1(C)Cc2cc(CN3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)ccc2O1 ZINC000435380392 559921804 /nfs/dbraw/zinc/92/18/04/559921804.db2.gz QXAAZHBUNYNMBP-MJGOQNOKSA-N 1 3 371.525 2.480 20 0 FEADHO CC[C@@H](C(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2)N(CC)CC ZINC000435560585 559925204 /nfs/dbraw/zinc/92/52/04/559925204.db2.gz WQMFWNWXVYMQLW-IRXDYDNUSA-N 1 3 361.534 2.011 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000436228797 559938006 /nfs/dbraw/zinc/93/80/06/559938006.db2.gz BUQXZQLPBCOAJM-FGZHOGPDSA-N 1 3 359.558 2.378 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCOCC1)c1ccccc1 ZINC000436310954 559939687 /nfs/dbraw/zinc/93/96/87/559939687.db2.gz YDPDPDIUKPAGTR-LRXVAGHRSA-N 1 3 371.525 2.392 20 0 FEADHO CCOC(=O)Cn1nc(C)c(CN2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000437580224 559966260 /nfs/dbraw/zinc/96/62/60/559966260.db2.gz MZIKCWSDVNIONC-UHFFFAOYSA-N 1 3 362.518 2.371 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000438195262 559975500 /nfs/dbraw/zinc/97/55/00/559975500.db2.gz BLYOFKDFTGZULI-JKSUJKDBSA-N 1 3 351.457 2.087 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000439697431 559999053 /nfs/dbraw/zinc/99/90/53/559999053.db2.gz SRCSDCQLWUQYFR-RBUKOAKNSA-N 1 3 351.535 2.257 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000439697431 559999054 /nfs/dbraw/zinc/99/90/54/559999054.db2.gz SRCSDCQLWUQYFR-RBUKOAKNSA-N 1 3 351.535 2.257 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+]C2CCN(C(=O)C3CC3)CC2)CC1 ZINC000442563126 560052911 /nfs/dbraw/zinc/05/29/11/560052911.db2.gz APUKVMCBXUIWQW-UHFFFAOYSA-N 1 3 370.541 2.319 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1)C1CC1 ZINC000442975679 560064635 /nfs/dbraw/zinc/06/46/35/560064635.db2.gz KJPWPYUXHYTOCP-UHFFFAOYSA-N 1 3 372.557 2.427 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1)C1CC1 ZINC000442975679 560064637 /nfs/dbraw/zinc/06/46/37/560064637.db2.gz KJPWPYUXHYTOCP-UHFFFAOYSA-N 1 3 372.557 2.427 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(CN(C)C)c2)C[C@@H]1C ZINC000443372790 560082341 /nfs/dbraw/zinc/08/23/41/560082341.db2.gz MNVGNMLKWHONJC-YJBOKZPZSA-N 1 3 360.502 2.018 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(CN(C)C)c2)C[C@@H]1C ZINC000443372790 560082342 /nfs/dbraw/zinc/08/23/42/560082342.db2.gz MNVGNMLKWHONJC-YJBOKZPZSA-N 1 3 360.502 2.018 20 0 FEADHO CN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000444148472 560103008 /nfs/dbraw/zinc/10/30/08/560103008.db2.gz BPAVEDUICFGIOT-CYBMUJFWSA-N 1 3 366.893 2.041 20 0 FEADHO CN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000444148472 560103009 /nfs/dbraw/zinc/10/30/09/560103009.db2.gz BPAVEDUICFGIOT-CYBMUJFWSA-N 1 3 366.893 2.041 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CCOCC1)c1ccccc1 ZINC000444175400 560104383 /nfs/dbraw/zinc/10/43/83/560104383.db2.gz JZJRUCZWRLWEKZ-XKGZKEIXSA-N 1 3 357.498 2.002 20 0 FEADHO C[NH+](C)CCOc1cccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000446264752 560142855 /nfs/dbraw/zinc/14/28/55/560142855.db2.gz LQNKPKWIJYGOKI-ABSDTBQOSA-N 1 3 361.486 2.098 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000446287670 560143683 /nfs/dbraw/zinc/14/36/83/560143683.db2.gz JEYAEKMMMIXPSC-VWNVYAMZSA-N 1 3 371.525 2.472 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446619006 560148568 /nfs/dbraw/zinc/14/85/68/560148568.db2.gz ZCARKTPDTNRUOL-UHFFFAOYSA-N 1 3 350.482 2.383 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000448217761 560180524 /nfs/dbraw/zinc/18/05/24/560180524.db2.gz PGCODKYBQWGWHQ-WMZOPIPTSA-N 1 3 356.580 2.091 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000448217761 560180525 /nfs/dbraw/zinc/18/05/25/560180525.db2.gz PGCODKYBQWGWHQ-WMZOPIPTSA-N 1 3 356.580 2.091 20 0 FEADHO C[C@H](Cc1coc2ccccc12)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000449150849 560218128 /nfs/dbraw/zinc/21/81/28/560218128.db2.gz UESNKLISLAAXSY-GOSISDBHSA-N 1 3 359.514 2.344 20 0 FEADHO COc1ccc(-n2cc(CNCC3(O)CC[NH+](C(C)C)CC3)cn2)cc1 ZINC000449197138 560219779 /nfs/dbraw/zinc/21/97/79/560219779.db2.gz ZZNIUIHAOALODJ-UHFFFAOYSA-N 1 3 358.486 2.206 20 0 FEADHO CCOC(=O)c1cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[nH]c1C ZINC000449236915 560221340 /nfs/dbraw/zinc/22/13/40/560221340.db2.gz ZXAMKJUFRVIXKZ-IBGZPJMESA-N 1 3 371.481 2.356 20 0 FEADHO CCOC(=O)c1cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)[nH]c1C ZINC000449236915 560221341 /nfs/dbraw/zinc/22/13/41/560221341.db2.gz ZXAMKJUFRVIXKZ-IBGZPJMESA-N 1 3 371.481 2.356 20 0 FEADHO OCCCN1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000449385959 560228479 /nfs/dbraw/zinc/22/84/79/560228479.db2.gz GXAVRIHXZXWNEF-GXRSIYKFSA-N 1 3 357.542 2.333 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCOC[C@H]2OC)CC1 ZINC000449461848 560230988 /nfs/dbraw/zinc/23/09/88/560230988.db2.gz UAUAXUVEMYRSPG-TZIWHRDSSA-N 1 3 361.530 2.360 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000451425993 560306427 /nfs/dbraw/zinc/30/64/27/560306427.db2.gz VLSQVNUBVNKHET-WTGUMLROSA-N 1 3 359.514 2.031 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000451425993 560306428 /nfs/dbraw/zinc/30/64/28/560306428.db2.gz VLSQVNUBVNKHET-WTGUMLROSA-N 1 3 359.514 2.031 20 0 FEADHO CO[C@H]1CCN(CCOCC[N@@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451571334 560315420 /nfs/dbraw/zinc/31/54/20/560315420.db2.gz VXFUNEWHINNGKI-ROUUACIJSA-N 1 3 356.551 2.497 20 0 FEADHO CO[C@H]1CCN(CCOCC[N@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451571334 560315421 /nfs/dbraw/zinc/31/54/21/560315421.db2.gz VXFUNEWHINNGKI-ROUUACIJSA-N 1 3 356.551 2.497 20 0 FEADHO C[C@@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CC[N@@H+](C2CC2)C1 ZINC000452571842 560368114 /nfs/dbraw/zinc/36/81/14/560368114.db2.gz PRQWRWJRMGHZFU-IBGZPJMESA-N 1 3 370.541 2.141 20 0 FEADHO C[C@@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CC[N@H+](C2CC2)C1 ZINC000452571842 560368115 /nfs/dbraw/zinc/36/81/15/560368115.db2.gz PRQWRWJRMGHZFU-IBGZPJMESA-N 1 3 370.541 2.141 20 0 FEADHO O=C(NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)c1ccn[nH]1 ZINC000453202660 560384309 /nfs/dbraw/zinc/38/43/09/560384309.db2.gz YVDDCXUHAFRZQT-QWFCFKBJSA-N 1 3 367.497 2.172 20 0 FEADHO O=C(NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)c1ccn[nH]1 ZINC000453202660 560384310 /nfs/dbraw/zinc/38/43/10/560384310.db2.gz YVDDCXUHAFRZQT-QWFCFKBJSA-N 1 3 367.497 2.172 20 0 FEADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CCN4C[C@H]5CC[C@@H](C4)O5)[C@H]3C2)cc1 ZINC000453360879 560385846 /nfs/dbraw/zinc/38/58/46/560385846.db2.gz VAHSOFDVAJWGDF-CUUWFGFTSA-N 1 3 355.526 2.350 20 0 FEADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCCN4C[C@H]5CC[C@@H](C4)O5)[C@H]3C2)cc1 ZINC000453360879 560385847 /nfs/dbraw/zinc/38/58/47/560385847.db2.gz VAHSOFDVAJWGDF-CUUWFGFTSA-N 1 3 355.526 2.350 20 0 FEADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCCN4C[C@H]5CC[C@@H](C4)O5)[C@H]3C2)cc1 ZINC000453360879 560385848 /nfs/dbraw/zinc/38/58/48/560385848.db2.gz VAHSOFDVAJWGDF-CUUWFGFTSA-N 1 3 355.526 2.350 20 0 FEADHO C[C@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454770071 560457491 /nfs/dbraw/zinc/45/74/91/560457491.db2.gz NIFNYKFADBJVAM-OJAHFUOMSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454770071 560457492 /nfs/dbraw/zinc/45/74/92/560457492.db2.gz NIFNYKFADBJVAM-OJAHFUOMSA-N 1 3 356.514 2.243 20 0 FEADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H](O)CN3CCCCC3)ccc21 ZINC000455896878 560499472 /nfs/dbraw/zinc/49/94/72/560499472.db2.gz DILJJIMDGTUZTN-HKUYNNGSSA-N 1 3 360.502 2.204 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@H](C)[C@H]([NH3+])[C@@H]3C)CC2)c1 ZINC000457362839 560563874 /nfs/dbraw/zinc/56/38/74/560563874.db2.gz NNUOEKOGPMXUTK-WFXMLNOXSA-N 1 3 358.530 2.091 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)C2C[NH+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000457620543 560578373 /nfs/dbraw/zinc/57/83/73/560578373.db2.gz DZDQLYCXFXLKQD-CALCHBBNSA-N 1 3 351.535 2.257 20 0 FEADHO O=C(NCCCCC[NH+]1CCCC1)N1CCN(CC2CCOCC2)CC1 ZINC000458838626 560651497 /nfs/dbraw/zinc/65/14/97/560651497.db2.gz CPOJFBSEAXNUFW-UHFFFAOYSA-N 1 3 366.550 2.006 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCC1CCOCC1 ZINC000458886919 560654031 /nfs/dbraw/zinc/65/40/31/560654031.db2.gz NPDQNKGJMJLDKE-LJQANCHMSA-N 1 3 368.566 2.251 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCC1CCOCC1 ZINC000458886919 560654033 /nfs/dbraw/zinc/65/40/33/560654033.db2.gz NPDQNKGJMJLDKE-LJQANCHMSA-N 1 3 368.566 2.251 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC1(F)F ZINC000459026803 560662437 /nfs/dbraw/zinc/66/24/37/560662437.db2.gz MLOPJIXWOCIDTN-CVEARBPZSA-N 1 3 360.493 2.479 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCC1(F)F ZINC000459026803 560662438 /nfs/dbraw/zinc/66/24/38/560662438.db2.gz MLOPJIXWOCIDTN-CVEARBPZSA-N 1 3 360.493 2.479 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(COC)CCCC1 ZINC000459074853 560665283 /nfs/dbraw/zinc/66/52/83/560665283.db2.gz BDLCAZBBJRXHDV-SFHVURJKSA-N 1 3 368.566 2.251 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(COC)CCCC1 ZINC000459074853 560665285 /nfs/dbraw/zinc/66/52/85/560665285.db2.gz BDLCAZBBJRXHDV-SFHVURJKSA-N 1 3 368.566 2.251 20 0 FEADHO CCO[C@@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000459092377 560666314 /nfs/dbraw/zinc/66/63/14/560666314.db2.gz IOJHRFZXLMDNDI-GUDVDZBRSA-N 1 3 368.566 2.392 20 0 FEADHO CCO[C@@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000459092377 560666316 /nfs/dbraw/zinc/66/63/16/560666316.db2.gz IOJHRFZXLMDNDI-GUDVDZBRSA-N 1 3 368.566 2.392 20 0 FEADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCCC2)[C@H]1Sc1ccccc1 ZINC000459471927 560688472 /nfs/dbraw/zinc/68/84/72/560688472.db2.gz OBJGAFHCEHVNSH-JCHJZTRSSA-N 1 3 350.528 2.371 20 0 FEADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459721029 560704472 /nfs/dbraw/zinc/70/44/72/560704472.db2.gz AFIRQUOZQZWKDJ-KRWDZBQOSA-N 1 3 350.507 2.273 20 0 FEADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459721029 560704474 /nfs/dbraw/zinc/70/44/74/560704474.db2.gz AFIRQUOZQZWKDJ-KRWDZBQOSA-N 1 3 350.507 2.273 20 0 FEADHO CSC1(CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)CCN(C)CC1 ZINC000460248944 560739209 /nfs/dbraw/zinc/73/92/09/560739209.db2.gz ZITNRSKUPPXYPW-MRXNPFEDSA-N 1 3 356.580 2.233 20 0 FEADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460343877 560741980 /nfs/dbraw/zinc/74/19/80/560741980.db2.gz SSGNOPIGDUXCRO-VAMGGRTRSA-N 1 3 368.525 2.387 20 0 FEADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460343877 560741981 /nfs/dbraw/zinc/74/19/81/560741981.db2.gz SSGNOPIGDUXCRO-VAMGGRTRSA-N 1 3 368.525 2.387 20 0 FEADHO CSC1(CNC(=O)N[C@H](C)C[NH+]2CCCCCC2)CCN(C)CC1 ZINC000460858076 560753722 /nfs/dbraw/zinc/75/37/22/560753722.db2.gz RZMSSZWRSRLFQH-MRXNPFEDSA-N 1 3 356.580 2.378 20 0 FEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000462008411 560792086 /nfs/dbraw/zinc/79/20/86/560792086.db2.gz IYAMALUTLZGQME-WDSOQIARSA-N 1 3 361.534 2.445 20 0 FEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000462008411 560792087 /nfs/dbraw/zinc/79/20/87/560792087.db2.gz IYAMALUTLZGQME-WDSOQIARSA-N 1 3 361.534 2.445 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)C3CC[NH+](C)CC3)CC2)c1 ZINC000462055657 560794218 /nfs/dbraw/zinc/79/42/18/560794218.db2.gz JFPFVWVDGHAIHV-UHFFFAOYSA-N 1 3 358.530 2.060 20 0 FEADHO CN(C)C1(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)Cc2ccccc2C1 ZINC000466004148 560877788 /nfs/dbraw/zinc/87/77/88/560877788.db2.gz IOWHYUFVBFDKHH-HXUWFJFHSA-N 1 3 370.541 2.355 20 0 FEADHO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000466795091 560895906 /nfs/dbraw/zinc/89/59/06/560895906.db2.gz IOLIJHAVTFANMD-FXAWDEMLSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000466795091 560895908 /nfs/dbraw/zinc/89/59/08/560895908.db2.gz IOLIJHAVTFANMD-FXAWDEMLSA-N 1 3 356.514 2.387 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470230728 560977174 /nfs/dbraw/zinc/97/71/74/560977174.db2.gz OATYKYWKOVIMIQ-GOSISDBHSA-N 1 3 359.514 2.431 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470230728 560977175 /nfs/dbraw/zinc/97/71/75/560977175.db2.gz OATYKYWKOVIMIQ-GOSISDBHSA-N 1 3 359.514 2.431 20 0 FEADHO CC(C)[N@@H+]1CCC[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000470669361 560987091 /nfs/dbraw/zinc/98/70/91/560987091.db2.gz JXANDMNJGRFOHB-LJQANCHMSA-N 1 3 358.530 2.188 20 0 FEADHO CC(C)[N@H+]1CCC[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000470669361 560987092 /nfs/dbraw/zinc/98/70/92/560987092.db2.gz JXANDMNJGRFOHB-LJQANCHMSA-N 1 3 358.530 2.188 20 0 FEADHO CN(C)CCOCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000471658480 561009893 /nfs/dbraw/zinc/00/98/93/561009893.db2.gz MFNMQDKFOXRFGP-IHWFROFDSA-N 1 3 374.529 2.059 20 0 FEADHO CN(C)CCOCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000471658480 561009894 /nfs/dbraw/zinc/00/98/94/561009894.db2.gz MFNMQDKFOXRFGP-IHWFROFDSA-N 1 3 374.529 2.059 20 0 FEADHO C[C@@H](CCNC(=O)NCCNc1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000473030126 561040800 /nfs/dbraw/zinc/04/08/00/561040800.db2.gz WAIQTFKWLYDRFP-KRWDZBQOSA-N 1 3 355.486 2.125 20 0 FEADHO C[C@@H](CCNC(=O)NCCNc1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000473030126 561040801 /nfs/dbraw/zinc/04/08/01/561040801.db2.gz WAIQTFKWLYDRFP-KRWDZBQOSA-N 1 3 355.486 2.125 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nnc(C(C)C)o1 ZINC000473733279 561056744 /nfs/dbraw/zinc/05/67/44/561056744.db2.gz SDESJUKSXDLGOB-INIZCTEOSA-N 1 3 365.522 2.000 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nnc(C(C)C)o1 ZINC000473733279 561056745 /nfs/dbraw/zinc/05/67/45/561056745.db2.gz SDESJUKSXDLGOB-INIZCTEOSA-N 1 3 365.522 2.000 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)N(C)CC2 ZINC000475913459 561107758 /nfs/dbraw/zinc/10/77/58/561107758.db2.gz WXYOXZBMVJLYPQ-IBGZPJMESA-N 1 3 358.530 2.167 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)N(C)CC2 ZINC000475913459 561107759 /nfs/dbraw/zinc/10/77/59/561107759.db2.gz WXYOXZBMVJLYPQ-IBGZPJMESA-N 1 3 358.530 2.167 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000476449187 561119701 /nfs/dbraw/zinc/11/97/01/561119701.db2.gz XNKGKFOKHZSKNY-IBGZPJMESA-N 1 3 366.550 2.146 20 0 FEADHO C[C@@H](NCCCC[NH+]1CCN(CCO)CC1)c1ncc(C(C)(C)C)o1 ZINC000476561963 561122676 /nfs/dbraw/zinc/12/26/76/561122676.db2.gz OKYPTVARZMLQPA-MRXNPFEDSA-N 1 3 352.523 2.013 20 0 FEADHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)C1CC1 ZINC000477042838 561135057 /nfs/dbraw/zinc/13/50/57/561135057.db2.gz YPCMUZZLYATRSA-QUCCMNQESA-N 1 3 356.514 2.433 20 0 FEADHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)C1CC1 ZINC000477042838 561135058 /nfs/dbraw/zinc/13/50/58/561135058.db2.gz YPCMUZZLYATRSA-QUCCMNQESA-N 1 3 356.514 2.433 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529298444 562367969 /nfs/dbraw/zinc/36/79/69/562367969.db2.gz HJUSNKAGIPHWAS-RBUKOAKNSA-N 1 3 356.514 2.482 20 0 FEADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529320103 562369127 /nfs/dbraw/zinc/36/91/27/562369127.db2.gz DFSORZNAZQDYRD-NRXISQOPSA-N 1 3 374.451 2.376 20 0 FEADHO Cc1[nH]c(=O)c(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1-c1ccccc1 ZINC000530941768 562429295 /nfs/dbraw/zinc/42/92/95/562429295.db2.gz MVGUACQRLGULDW-UHFFFAOYSA-N 1 3 370.497 2.328 20 0 FEADHO CN(C)CCOc1ccc(CC[NH2+]C2CCN(c3cnccn3)CC2)cc1 ZINC000532215717 562470686 /nfs/dbraw/zinc/47/06/86/562470686.db2.gz PMVSINJQMKMXNL-UHFFFAOYSA-N 1 3 369.513 2.218 20 0 FEADHO C[NH+]1CCC([C@H]2CCN([C@@H]3CC(=O)N(CCc4ccccc4)C3=O)C2)CC1 ZINC000533684171 562516125 /nfs/dbraw/zinc/51/61/25/562516125.db2.gz HAMCDEZOINUDFG-VQTJNVASSA-N 1 3 369.509 2.020 20 0 FEADHO Cc1ccc([C@H](CNC(=O)NCCNc2cc[nH+]cc2)N2CCCC2)cc1 ZINC000535262992 562554450 /nfs/dbraw/zinc/55/44/50/562554450.db2.gz RJBXVKHFRVYOKN-FQEVSTJZSA-N 1 3 367.497 2.360 20 0 FEADHO C[C@H](Cn1cc(Br)cn1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000536848011 562581261 /nfs/dbraw/zinc/58/12/61/562581261.db2.gz WQLCNUKOTUOEDI-WQVCFCJDSA-N 1 3 371.323 2.002 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C)CC[S@@](C)=O)CC1 ZINC000537324257 562589613 /nfs/dbraw/zinc/58/96/13/562589613.db2.gz UTPYXRIRTUIGLP-MZNJEOGPSA-N 1 3 351.560 2.465 20 0 FEADHO CCN1CCN(CCC(=O)N2CCC(CCC[NH+](CC)CC)CC2)CC1 ZINC000541166546 562604828 /nfs/dbraw/zinc/60/48/28/562604828.db2.gz NSXTVDHOFGRCSB-UHFFFAOYSA-N 1 3 366.594 2.375 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)c(C)[nH]2)[C@H](C)C1 ZINC000602547395 567990316 /nfs/dbraw/zinc/99/03/16/567990316.db2.gz YBNFQODFRGAKGK-RDTXWAMCSA-N 1 3 351.491 2.336 20 0 FEADHO CCOC(=O)[C@@](C)(CNC1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000602627991 568007258 /nfs/dbraw/zinc/00/72/58/568007258.db2.gz AAEAGYCRDXYJNQ-NRFANRHFSA-N 1 3 362.514 2.332 20 0 FEADHO C[C@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)N1CCCC[C@H]1C ZINC000604171449 568221169 /nfs/dbraw/zinc/22/11/69/568221169.db2.gz MFSUNHKDUQQXLS-IAGOWNOFSA-N 1 3 354.539 2.002 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000604191240 568223689 /nfs/dbraw/zinc/22/36/89/568223689.db2.gz PVDPZLGOCMDZRJ-ICSRJNTNSA-N 1 3 374.529 2.232 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000604191240 568223690 /nfs/dbraw/zinc/22/36/90/568223690.db2.gz PVDPZLGOCMDZRJ-ICSRJNTNSA-N 1 3 374.529 2.232 20 0 FEADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000556875890 674425763 /nfs/dbraw/zinc/42/57/63/674425763.db2.gz FEVSJYNTCNTYFY-SFHVURJKSA-N 1 3 367.559 2.145 20 0 FEADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000556875890 674425764 /nfs/dbraw/zinc/42/57/64/674425764.db2.gz FEVSJYNTCNTYFY-SFHVURJKSA-N 1 3 367.559 2.145 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NCC1(N2CCSCC2)CCCC1 ZINC000041746375 670150374 /nfs/dbraw/zinc/15/03/74/670150374.db2.gz YPTUWXCWJPKDCN-INIZCTEOSA-N 1 3 370.632 2.296 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=S)NCC1(N2CCSCC2)CCCC1 ZINC000041746375 670150377 /nfs/dbraw/zinc/15/03/77/670150377.db2.gz YPTUWXCWJPKDCN-INIZCTEOSA-N 1 3 370.632 2.296 20 0 FEADHO COC1CCN(CCNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000080075584 670615236 /nfs/dbraw/zinc/61/52/36/670615236.db2.gz KCKMUUJULNBBNA-KRWDZBQOSA-N 1 3 354.539 2.051 20 0 FEADHO COC1CCN(CCNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000080075584 670615238 /nfs/dbraw/zinc/61/52/38/670615238.db2.gz KCKMUUJULNBBNA-KRWDZBQOSA-N 1 3 354.539 2.051 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000570191115 670675936 /nfs/dbraw/zinc/67/59/36/670675936.db2.gz UJYVUXIAOVFJJC-YJBOKZPZSA-N 1 3 350.482 2.460 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000570191115 670675940 /nfs/dbraw/zinc/67/59/40/670675940.db2.gz UJYVUXIAOVFJJC-YJBOKZPZSA-N 1 3 350.482 2.460 20 0 FEADHO C[C@@H](NCC1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000574188391 671212772 /nfs/dbraw/zinc/21/27/72/671212772.db2.gz JLEDYYKKXGULPB-VQIMIIECSA-N 1 3 365.543 2.208 20 0 FEADHO NC(C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C(F)(F)F ZINC000574199926 671213711 /nfs/dbraw/zinc/21/37/11/671213711.db2.gz FSTHFJORGAIJAI-WBVHZDCISA-N 1 3 355.404 2.391 20 0 FEADHO NC(C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C(F)(F)F ZINC000574199926 671213712 /nfs/dbraw/zinc/21/37/12/671213712.db2.gz FSTHFJORGAIJAI-WBVHZDCISA-N 1 3 355.404 2.391 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCC[C@@H]3OC)CC2)CC1 ZINC000578451697 671666674 /nfs/dbraw/zinc/66/66/74/671666674.db2.gz MANVGIQOLKQBDW-HKUYNNGSSA-N 1 3 351.535 2.114 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)[C@H](OC)C3CC3)CC2)CC1 ZINC000580094585 671782936 /nfs/dbraw/zinc/78/29/36/671782936.db2.gz PIATZTOJIXGGPI-KXBFYZLASA-N 1 3 351.535 2.112 20 0 FEADHO C[C@H]1CC2(CN1CC(=O)NCCO[C@H]1CCCC[C@H]1C)CC[NH2+]CC2 ZINC000580432934 671806924 /nfs/dbraw/zinc/80/69/24/671806924.db2.gz UEJYJOKZJYQFQF-SQNIBIBYSA-N 1 3 351.535 2.162 20 0 FEADHO C[NH+](C)CCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000684248426 672917480 /nfs/dbraw/zinc/91/74/80/672917480.db2.gz IQOQQKKVMMFPFC-UHFFFAOYSA-N 1 3 350.429 2.043 20 0 FEADHO C[C@H]1CCN(CC(=O)N(C[C@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)C1 ZINC000614444160 676175093 /nfs/dbraw/zinc/17/50/93/676175093.db2.gz WHGLZXLEEPADMQ-FUHWJXTLSA-N 1 3 353.551 2.048 20 0 FEADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545157594 673747298 /nfs/dbraw/zinc/74/72/98/673747298.db2.gz CVBYNESUAUFFGR-WBMJQRKESA-N 1 3 359.392 2.079 20 0 FEADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000545157594 673747299 /nfs/dbraw/zinc/74/72/99/673747299.db2.gz CVBYNESUAUFFGR-WBMJQRKESA-N 1 3 359.392 2.079 20 0 FEADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000566551442 675223566 /nfs/dbraw/zinc/22/35/66/675223566.db2.gz BSRSARHVJZSCAO-LLGZUXRYSA-N 1 3 362.440 2.089 20 0 FEADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1Cl ZINC000819174104 675266411 /nfs/dbraw/zinc/26/64/11/675266411.db2.gz OJOGVAZJDQGNQF-KZNAEPCWSA-N 1 3 356.869 2.480 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1c[nH]c2cnc(Cl)cc12 ZINC000824819594 675623120 /nfs/dbraw/zinc/62/31/20/675623120.db2.gz NQRNBFXAKZJSMT-ZDUSSCGKSA-N 1 3 365.909 2.147 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1c[nH]c2cnc(Cl)cc12 ZINC000824819594 675623122 /nfs/dbraw/zinc/62/31/22/675623122.db2.gz NQRNBFXAKZJSMT-ZDUSSCGKSA-N 1 3 365.909 2.147 20 0 FEADHO Cc1ccc(Br)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000824826488 675623764 /nfs/dbraw/zinc/62/37/64/675623764.db2.gz JUVIQXIZHFDQBX-ZDUSSCGKSA-N 1 3 371.323 2.154 20 0 FEADHO Cc1ccc(Br)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000824826488 675623765 /nfs/dbraw/zinc/62/37/65/675623765.db2.gz JUVIQXIZHFDQBX-ZDUSSCGKSA-N 1 3 371.323 2.154 20 0 FEADHO C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503397 676288341 /nfs/dbraw/zinc/28/83/41/676288341.db2.gz HJPDHBMZDGJPSF-LSDHHAIUSA-N 1 3 355.910 2.496 20 0 FEADHO C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503397 676288343 /nfs/dbraw/zinc/28/83/43/676288343.db2.gz HJPDHBMZDGJPSF-LSDHHAIUSA-N 1 3 355.910 2.496 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000617504522 676288964 /nfs/dbraw/zinc/28/89/64/676288964.db2.gz ZLWSLLJWSLWRFQ-HNNXBMFYSA-N 1 3 353.482 2.371 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000617504522 676288966 /nfs/dbraw/zinc/28/89/66/676288966.db2.gz ZLWSLLJWSLWRFQ-HNNXBMFYSA-N 1 3 353.482 2.371 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc(-c2cccnc2)s1 ZINC000617506182 676289244 /nfs/dbraw/zinc/28/92/44/676289244.db2.gz DUXXKOZBTKXTFO-AWEZNQCLSA-N 1 3 361.515 2.207 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc(-c2cccnc2)s1 ZINC000617506182 676289246 /nfs/dbraw/zinc/28/92/46/676289246.db2.gz DUXXKOZBTKXTFO-AWEZNQCLSA-N 1 3 361.515 2.207 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COc1ccc(Cl)c(F)c1 ZINC000617507596 676289541 /nfs/dbraw/zinc/28/95/41/676289541.db2.gz BOJKFTIKRQKKFX-ZDUSSCGKSA-N 1 3 359.873 2.246 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COc1ccc(Cl)c(F)c1 ZINC000617507596 676289544 /nfs/dbraw/zinc/28/95/44/676289544.db2.gz BOJKFTIKRQKKFX-ZDUSSCGKSA-N 1 3 359.873 2.246 20 0 FEADHO CN1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000622638579 676503340 /nfs/dbraw/zinc/50/33/40/676503340.db2.gz PHGDCGRAEVNWKR-CVEARBPZSA-N 1 3 350.532 2.354 20 0 FEADHO CN1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000622638579 676503341 /nfs/dbraw/zinc/50/33/41/676503341.db2.gz PHGDCGRAEVNWKR-CVEARBPZSA-N 1 3 350.532 2.354 20 0 FEADHO CN1CCN([C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623336168 676530224 /nfs/dbraw/zinc/53/02/24/676530224.db2.gz ZHLICJFJTLXSBU-SJORKVTESA-N 1 3 350.576 2.499 20 0 FEADHO CN1CCN([C@@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623336168 676530226 /nfs/dbraw/zinc/53/02/26/676530226.db2.gz ZHLICJFJTLXSBU-SJORKVTESA-N 1 3 350.576 2.499 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000629414891 676853927 /nfs/dbraw/zinc/85/39/27/676853927.db2.gz ILUPQTZJRTVHMS-UHFFFAOYSA-N 1 3 351.535 2.210 20 0 FEADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCCOCCC[NH3+])cc1 ZINC000629534728 676858687 /nfs/dbraw/zinc/85/86/87/676858687.db2.gz ALLMZUJXMYIINA-QZTJIDSGSA-N 1 3 354.516 2.035 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC000629667826 676864615 /nfs/dbraw/zinc/86/46/15/676864615.db2.gz XHSGHSOBHFMQGL-ZDUSSCGKSA-N 1 3 355.404 2.261 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)C1 ZINC000629667826 676864618 /nfs/dbraw/zinc/86/46/18/676864618.db2.gz XHSGHSOBHFMQGL-ZDUSSCGKSA-N 1 3 355.404 2.261 20 0 FEADHO COC[C@]1(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCCCN1 ZINC000638086713 677139646 /nfs/dbraw/zinc/13/96/46/677139646.db2.gz UVMQIEVTUQZBQW-NSHGMRRFSA-N 1 3 351.535 2.258 20 0 FEADHO COC[C@]1(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CCCCN1 ZINC000638086713 677139647 /nfs/dbraw/zinc/13/96/47/677139647.db2.gz UVMQIEVTUQZBQW-NSHGMRRFSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H]1C[C@@H](NC(=S)NCC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000760497557 680690206 /nfs/dbraw/zinc/69/02/06/680690206.db2.gz ULEFXHMBVYQJTR-VQIMIIECSA-N 1 3 360.571 2.455 20 0 FEADHO C[C@H]1C[C@H](NC(=S)NCC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000760497555 680690234 /nfs/dbraw/zinc/69/02/34/680690234.db2.gz ULEFXHMBVYQJTR-LPHOPBHVSA-N 1 3 360.571 2.455 20 0 FEADHO Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000648869731 677321993 /nfs/dbraw/zinc/32/19/93/677321993.db2.gz AZXFMXNAWCQUSR-BZUAXINKSA-N 1 3 350.532 2.072 20 0 FEADHO Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000648869731 677321994 /nfs/dbraw/zinc/32/19/94/677321994.db2.gz AZXFMXNAWCQUSR-BZUAXINKSA-N 1 3 350.532 2.072 20 0 FEADHO CCCN1CCC([N@H+](C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000649546967 677332633 /nfs/dbraw/zinc/33/26/33/677332633.db2.gz GVXKUQQCOWRKLC-UHFFFAOYSA-N 1 3 365.543 2.434 20 0 FEADHO CCCN1CCC([N@@H+](C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000649546967 677332634 /nfs/dbraw/zinc/33/26/34/677332634.db2.gz GVXKUQQCOWRKLC-UHFFFAOYSA-N 1 3 365.543 2.434 20 0 FEADHO CN(C)C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1ccc(Cl)cc1 ZINC000655064308 677620509 /nfs/dbraw/zinc/62/05/09/677620509.db2.gz VFXGKROBGOQYCS-KRWDZBQOSA-N 1 3 363.893 2.131 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@]4(CC4(F)F)C3)CC2)CC1 ZINC000655166797 677626775 /nfs/dbraw/zinc/62/67/75/677626775.db2.gz LVMBLLSZQOLNGA-SFHVURJKSA-N 1 3 355.473 2.440 20 0 FEADHO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000658989490 678143099 /nfs/dbraw/zinc/14/30/99/678143099.db2.gz AXXBFLCQSGYCEK-UHFFFAOYSA-N 1 3 360.527 2.233 20 0 FEADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cscn1 ZINC000660573664 678359258 /nfs/dbraw/zinc/35/92/58/678359258.db2.gz KFYUPPLWGGUBEP-ZDUSSCGKSA-N 1 3 351.520 2.062 20 0 FEADHO CN(C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000662252465 678596549 /nfs/dbraw/zinc/59/65/49/678596549.db2.gz OJBSBYZONCJUMK-XZJROXQQSA-N 1 3 357.281 2.404 20 0 FEADHO COc1cccc(SCCN2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000662270595 678598466 /nfs/dbraw/zinc/59/84/66/678598466.db2.gz ASASXWXTTBSSIO-HNNXBMFYSA-N 1 3 351.516 2.107 20 0 FEADHO O=S(=O)(Nc1ccccc1)[C@@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662311852 678602911 /nfs/dbraw/zinc/60/29/11/678602911.db2.gz WNXCDEAEVRSTKR-FUHWJXTLSA-N 1 3 351.516 2.282 20 0 FEADHO Cc1csc([C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2CC2)n1 ZINC000664222607 678845808 /nfs/dbraw/zinc/84/58/08/678845808.db2.gz JWQUNZUIIZXHPB-XJKSGUPXSA-N 1 3 367.563 2.474 20 0 FEADHO Cc1csc([C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2CC2)n1 ZINC000664222607 678845811 /nfs/dbraw/zinc/84/58/11/678845811.db2.gz JWQUNZUIIZXHPB-XJKSGUPXSA-N 1 3 367.563 2.474 20 0 FEADHO CC(C)C[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000664593876 678902369 /nfs/dbraw/zinc/90/23/69/678902369.db2.gz BUBJUIXURUDVCO-RCCFBDPRSA-N 1 3 356.555 2.151 20 0 FEADHO CC(C)C[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000664593876 678902370 /nfs/dbraw/zinc/90/23/70/678902370.db2.gz BUBJUIXURUDVCO-RCCFBDPRSA-N 1 3 356.555 2.151 20 0 FEADHO CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H]1CCOC(C)(C)C1 ZINC000665762974 678982557 /nfs/dbraw/zinc/98/25/57/678982557.db2.gz WANFVXKNSYVYHT-IRXDYDNUSA-N 1 3 356.555 2.248 20 0 FEADHO CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H]1CCOC(C)(C)C1 ZINC000665762974 678982558 /nfs/dbraw/zinc/98/25/58/678982558.db2.gz WANFVXKNSYVYHT-IRXDYDNUSA-N 1 3 356.555 2.248 20 0 FEADHO Cc1cc2c(cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)OCO2 ZINC000666625583 679034734 /nfs/dbraw/zinc/03/47/34/679034734.db2.gz GJFFHJWMLMZKMR-AWEZNQCLSA-N 1 3 350.463 2.117 20 0 FEADHO Cc1cc2c(cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)OCO2 ZINC000666625583 679034737 /nfs/dbraw/zinc/03/47/37/679034737.db2.gz GJFFHJWMLMZKMR-AWEZNQCLSA-N 1 3 350.463 2.117 20 0 FEADHO CCOc1ncc(C)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000667162586 679072579 /nfs/dbraw/zinc/07/25/79/679072579.db2.gz REPUOOFZKAXJLR-HNNXBMFYSA-N 1 3 351.495 2.182 20 0 FEADHO CCOc1ncc(C)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000667162586 679072582 /nfs/dbraw/zinc/07/25/82/679072582.db2.gz REPUOOFZKAXJLR-HNNXBMFYSA-N 1 3 351.495 2.182 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[NH2+]2)N(C)C)cc1 ZINC000669592669 679244378 /nfs/dbraw/zinc/24/43/78/679244378.db2.gz CXYKTGXROSWAKB-DOTOQJQBSA-N 1 3 350.532 2.453 20 0 FEADHO COc1ccc(Cl)cc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001020172293 680101850 /nfs/dbraw/zinc/10/18/50/680101850.db2.gz VWAQGTPITKNBTC-BASLNEPJSA-N 1 3 365.905 2.426 20 0 FEADHO COc1ccc(Cl)cc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001020172293 680101852 /nfs/dbraw/zinc/10/18/52/680101852.db2.gz VWAQGTPITKNBTC-BASLNEPJSA-N 1 3 365.905 2.426 20 0 FEADHO Cc1cnc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001023993113 680277033 /nfs/dbraw/zinc/27/70/33/680277033.db2.gz ANMJGYNRTXYZPB-BZUAXINKSA-N 1 3 350.532 2.120 20 0 FEADHO Cc1cnc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC001023993113 680277036 /nfs/dbraw/zinc/27/70/36/680277036.db2.gz ANMJGYNRTXYZPB-BZUAXINKSA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNCc3csc(C)n3)C2)CC[N@@H+]1C ZINC001026855573 680351627 /nfs/dbraw/zinc/35/16/27/680351627.db2.gz JVFVRWDBENGWEA-BHYGNILZSA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNCc3csc(C)n3)C2)CC[N@H+]1C ZINC001026855573 680351629 /nfs/dbraw/zinc/35/16/29/680351629.db2.gz JVFVRWDBENGWEA-BHYGNILZSA-N 1 3 350.532 2.120 20 0 FEADHO C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000754464343 680358313 /nfs/dbraw/zinc/35/83/13/680358313.db2.gz JRAAVWUYENXGPF-DOTOQJQBSA-N 1 3 365.543 2.119 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3scnc3C)C2)CC[N@@H+]1C ZINC000999203761 680399258 /nfs/dbraw/zinc/39/92/58/680399258.db2.gz CLMCZLMHCOBYJB-OWCLPIDISA-N 1 3 350.532 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3scnc3C)C2)CC[N@H+]1C ZINC000999203761 680399259 /nfs/dbraw/zinc/39/92/59/680399259.db2.gz CLMCZLMHCOBYJB-OWCLPIDISA-N 1 3 350.532 2.262 20 0 FEADHO Cc1nsc(C)c1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034939532 680440627 /nfs/dbraw/zinc/44/06/27/680440627.db2.gz FJZOKTVZUXRUPW-FVQBIDKESA-N 1 3 350.532 2.181 20 0 FEADHO Cc1nsc(C)c1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034939532 680440628 /nfs/dbraw/zinc/44/06/28/680440628.db2.gz FJZOKTVZUXRUPW-FVQBIDKESA-N 1 3 350.532 2.181 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC2CCN(CC[C@H]3CC3(Cl)Cl)CC2)CC[N@@H+]1C ZINC001002859742 680511923 /nfs/dbraw/zinc/51/19/23/680511923.db2.gz FMILYFYZJQOBPR-VNHYZAJKSA-N 1 3 362.345 2.491 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC2CCN(CC[C@H]3CC3(Cl)Cl)CC2)CC[N@H+]1C ZINC001002859742 680511925 /nfs/dbraw/zinc/51/19/25/680511925.db2.gz FMILYFYZJQOBPR-VNHYZAJKSA-N 1 3 362.345 2.491 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000766523532 680880071 /nfs/dbraw/zinc/88/00/71/680880071.db2.gz DHCBRXNLVLKTSU-DOTOQJQBSA-N 1 3 355.523 2.332 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc(Cl)n1 ZINC000841851558 680914649 /nfs/dbraw/zinc/91/46/49/680914649.db2.gz YLUCTLJFLYOORP-GVDBMIGSSA-N 1 3 358.873 2.387 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCc2ccns2)CC[N@@H+]1C ZINC001049488194 681033301 /nfs/dbraw/zinc/03/33/01/681033301.db2.gz XQYUTXQIPJTCLD-DDBAPUKQSA-N 1 3 362.543 2.091 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCc2ccns2)CC[N@H+]1C ZINC001049488194 681033303 /nfs/dbraw/zinc/03/33/03/681033303.db2.gz XQYUTXQIPJTCLD-DDBAPUKQSA-N 1 3 362.543 2.091 20 0 FEADHO Cc1ncsc1CN1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050524025 681049422 /nfs/dbraw/zinc/04/94/22/681049422.db2.gz QZDHXDOTSWXQIN-HZPDHXFCSA-N 1 3 362.543 2.216 20 0 FEADHO Cc1ncsc1CN1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050524025 681049424 /nfs/dbraw/zinc/04/94/24/681049424.db2.gz QZDHXDOTSWXQIN-HZPDHXFCSA-N 1 3 362.543 2.216 20 0 FEADHO CC[N@H+](C)C[C@@H](O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000847010866 681321102 /nfs/dbraw/zinc/32/11/02/681321102.db2.gz NESJMQGQEALLSW-HOTGVXAUSA-N 1 3 355.523 2.211 20 0 FEADHO CC[N@@H+](C)C[C@@H](O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000847010866 681321108 /nfs/dbraw/zinc/32/11/08/681321108.db2.gz NESJMQGQEALLSW-HOTGVXAUSA-N 1 3 355.523 2.211 20 0 FEADHO COc1ccc(C[C@](C)(CO)NCCC[NH+]2CCCCC2)cc1OC ZINC000933444936 681413871 /nfs/dbraw/zinc/41/38/71/681413871.db2.gz LEWVGBYIHFXMKK-HXUWFJFHSA-N 1 3 350.503 2.463 20 0 FEADHO CC(C)N1CCN(CCC[NH2+][C@](C)(CO)Cc2ccc(F)cc2)CC1 ZINC000933447034 681414679 /nfs/dbraw/zinc/41/46/79/681414679.db2.gz URZBTKFXJGIQIA-FQEVSTJZSA-N 1 3 351.510 2.125 20 0 FEADHO CC(C)(C)OC(=O)NC/C=C\CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848907628 681640886 /nfs/dbraw/zinc/64/08/86/681640886.db2.gz QFWPLQGZBYAIPC-VGOKWCNXSA-N 1 3 353.507 2.300 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000849077777 681649751 /nfs/dbraw/zinc/64/97/51/681649751.db2.gz MVBSCGGERFADQQ-GJZGRUSLSA-N 1 3 358.408 2.337 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000849106489 681654609 /nfs/dbraw/zinc/65/46/09/681654609.db2.gz RRFVYDSHCPMDQY-GZBFAFLISA-N 1 3 350.429 2.068 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000789392459 682600485 /nfs/dbraw/zinc/60/04/85/682600485.db2.gz FPUXPICDADEGAV-KRWDZBQOSA-N 1 3 366.575 2.350 20 0 FEADHO C[C@H](NCCN1CCC([NH3+])CC1)c1ccccc1I ZINC000925810009 683039526 /nfs/dbraw/zinc/03/95/26/683039526.db2.gz MTJKFYKNSWLVHR-LBPRGKRZSA-N 1 3 373.282 2.365 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CCOC3CCSCC3)CC2)CC1 ZINC000930748388 683779566 /nfs/dbraw/zinc/77/95/66/683779566.db2.gz AIFFDWXHLNGXSP-UHFFFAOYSA-N 1 3 355.592 2.391 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CCOC3CCSCC3)CC2)CC1 ZINC000930748388 683779572 /nfs/dbraw/zinc/77/95/72/683779572.db2.gz AIFFDWXHLNGXSP-UHFFFAOYSA-N 1 3 355.592 2.391 20 0 FEADHO CC(C)N(C)C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 ZINC000931185026 683848648 /nfs/dbraw/zinc/84/86/48/683848648.db2.gz IFRLAIKDBLKLKX-HZPDHXFCSA-N 1 3 355.523 2.209 20 0 FEADHO COc1ccc(Br)cc1C1(NC[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923383782 684272387 /nfs/dbraw/zinc/27/23/87/684272387.db2.gz MSTHFOFAQGBGAU-ZDUSSCGKSA-N 1 3 367.287 2.415 20 0 FEADHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1cccc(Br)c1 ZINC000923519926 684296864 /nfs/dbraw/zinc/29/68/64/684296864.db2.gz XHUMLAPCJJJINP-QWHCGFSZSA-N 1 3 352.276 2.319 20 0 FEADHO CC1CC[NH+]([C@@H](CN2C(=O)N[C@@H](CN(C)C)C2=O)c2cccs2)CC1 ZINC000924440134 684446931 /nfs/dbraw/zinc/44/69/31/684446931.db2.gz QOGWYKGWGPHQFW-GJZGRUSLSA-N 1 3 364.515 2.003 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000873274912 685103705 /nfs/dbraw/zinc/10/37/05/685103705.db2.gz HLTMJSKXXQMXJN-YHYIIZSOSA-N 1 3 351.288 2.429 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876850587 686281438 /nfs/dbraw/zinc/28/14/38/686281438.db2.gz WRZCFCVYXRKZLZ-MJGOQNOKSA-N 1 3 351.441 2.387 20 0 FEADHO Cn1ncc(CN)c1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000876948743 686299679 /nfs/dbraw/zinc/29/96/79/686299679.db2.gz OBZRCGSDRLJWQS-UHFFFAOYSA-N 1 3 359.499 2.319 20 0 FEADHO C[NH+]1CCC(NC(=O)CNC(C)(C)c2ccc(Br)cc2)CC1 ZINC000878213622 686542961 /nfs/dbraw/zinc/54/29/61/686542961.db2.gz KZRKXHQIMFBKKD-UHFFFAOYSA-N 1 3 368.319 2.484 20 0 FEADHO C[NH+]1CCC(NC(=O)CNC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000878239341 686547955 /nfs/dbraw/zinc/54/79/55/686547955.db2.gz GGBWCSMKFLOUDO-UHFFFAOYSA-N 1 3 365.905 2.146 20 0 FEADHO C[N@@H+]1CCC[C@H](CCNCc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894983744 689634435 /nfs/dbraw/zinc/63/44/35/689634435.db2.gz DLIDMIUGLMHTFQ-CYBMUJFWSA-N 1 3 358.939 2.455 20 0 FEADHO C[N@H+]1CCC[C@H](CCNCc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894983744 689634438 /nfs/dbraw/zinc/63/44/38/689634438.db2.gz DLIDMIUGLMHTFQ-CYBMUJFWSA-N 1 3 358.939 2.455 20 0 FEADHO FC(F)(F)[C@H]1CCC[C@H](CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)O1 ZINC000903783785 690971928 /nfs/dbraw/zinc/97/19/28/690971928.db2.gz CXAVNNJAKZENJQ-YYIAUSFCSA-N 1 3 361.452 2.387 20 0 FEADHO COC(=O)CCC1([NH2+]C[C@@H](CN)Cc2cnn(C)c2C)CCCCC1 ZINC000904432666 691027153 /nfs/dbraw/zinc/02/71/53/691027153.db2.gz DTTABAZRHKUOOW-MRXNPFEDSA-N 1 3 350.507 2.092 20 0 FEADHO C[C@](O)(CNC1CC[NH+](C[C@H]2CCCO2)CC1)C(F)(F)C(F)(F)F ZINC000905112898 691070233 /nfs/dbraw/zinc/07/02/33/691070233.db2.gz XWKKSPCASJWTBJ-OLZOCXBDSA-N 1 3 360.367 2.168 20 0 FEADHO C[C@](O)(CNC1CC[NH+](C[C@@H]2CCCO2)CC1)C(F)(F)C(F)(F)F ZINC000905112902 691070273 /nfs/dbraw/zinc/07/02/73/691070273.db2.gz XWKKSPCASJWTBJ-STQMWFEESA-N 1 3 360.367 2.168 20 0 FEADHO CN(C)Cc1ccnc(N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164693224 719761364 /nfs/dbraw/zinc/76/13/64/719761364.db2.gz YUVIFZWHJKTGGR-JXFKEZNVSA-N 1 3 371.460 2.336 20 0 FEADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(CN)ncn3)C[C@H]21 ZINC001165020269 721807662 /nfs/dbraw/zinc/80/76/62/721807662.db2.gz DSLKHYZXQGLIBM-KFKAGJAMSA-N 1 3 352.486 2.067 20 0 FEADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(CN)ncn3)C[C@H]21 ZINC001165020269 721807664 /nfs/dbraw/zinc/80/76/64/721807664.db2.gz DSLKHYZXQGLIBM-KFKAGJAMSA-N 1 3 352.486 2.067 20 0 FEADHO CN(C)Cc1ccnc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)c1 ZINC001164958925 722051430 /nfs/dbraw/zinc/05/14/30/722051430.db2.gz HRSNBPRVJFZJDR-UEXGIBASSA-N 1 3 367.497 2.443 20 0 FEADHO C[NH+](C)C1(CNC(=O)N2CCCN(Cc3ccccc3)CC2)CCOCC1 ZINC000073236744 541933208 /nfs/dbraw/zinc/93/32/08/541933208.db2.gz RKAZXVSPGQZPFR-UHFFFAOYSA-N 1 3 374.529 2.015 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000073657483 541982069 /nfs/dbraw/zinc/98/20/69/541982069.db2.gz RIMGCNNVKOAFFV-MOPGFXCFSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1)[N@@H+]1CCCC[C@H]1C ZINC000073657759 541981807 /nfs/dbraw/zinc/98/18/07/541981807.db2.gz QUXRVVGRQBYFLP-SQNIBIBYSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H](CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1)[N@H+]1CCCC[C@H]1C ZINC000073657759 541981810 /nfs/dbraw/zinc/98/18/10/541981810.db2.gz QUXRVVGRQBYFLP-SQNIBIBYSA-N 1 3 354.539 2.002 20 0 FEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000074084673 542033911 /nfs/dbraw/zinc/03/39/11/542033911.db2.gz AJTKXBLLQBAQQR-VQTJNVASSA-N 1 3 358.530 2.335 20 0 FEADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000074084673 542033916 /nfs/dbraw/zinc/03/39/16/542033916.db2.gz AJTKXBLLQBAQQR-VQTJNVASSA-N 1 3 358.530 2.335 20 0 FEADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000079734229 542539466 /nfs/dbraw/zinc/53/94/66/542539466.db2.gz QLEAHDOOLDPMDP-LJQANCHMSA-N 1 3 358.530 2.429 20 0 FEADHO CC(C)[NH+](CCCNC(=O)N1CCC[C@@H]1CN1CCC[C@@H]1CO)C(C)C ZINC000085417673 542726619 /nfs/dbraw/zinc/72/66/19/542726619.db2.gz GWCBWZJLRYVOQU-RTBURBONSA-N 1 3 368.566 2.126 20 0 FEADHO COc1cccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)N2CCCC2)c1 ZINC000108541887 543292894 /nfs/dbraw/zinc/29/28/94/543292894.db2.gz HFJXLYHQIUJZIQ-XLIONFOSSA-N 1 3 374.529 2.473 20 0 FEADHO COc1cccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)N2CCCC2)c1 ZINC000108541887 543292897 /nfs/dbraw/zinc/29/28/97/543292897.db2.gz HFJXLYHQIUJZIQ-XLIONFOSSA-N 1 3 374.529 2.473 20 0 FEADHO CN1CCC[C@H](CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000108573984 543295395 /nfs/dbraw/zinc/29/53/95/543295395.db2.gz DZOGVXGPXGLMJQ-UXHICEINSA-N 1 3 358.530 2.192 20 0 FEADHO CN1CCC[C@H](CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000108573984 543295396 /nfs/dbraw/zinc/29/53/96/543295396.db2.gz DZOGVXGPXGLMJQ-UXHICEINSA-N 1 3 358.530 2.192 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(C3CC3)CC2)[C@H](C)C1 ZINC000115703701 543582900 /nfs/dbraw/zinc/58/29/00/543582900.db2.gz MLRBZLGDYAQDKG-VQIMIIECSA-N 1 3 366.550 2.049 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NC2CCN(C3CC3)CC2)[C@H](C)C1 ZINC000115703701 543582904 /nfs/dbraw/zinc/58/29/04/543582904.db2.gz MLRBZLGDYAQDKG-VQIMIIECSA-N 1 3 366.550 2.049 20 0 FEADHO COCCN(C)CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000247473386 549339915 /nfs/dbraw/zinc/33/99/15/549339915.db2.gz SNZLFJBXLDSBHR-WBVHZDCISA-N 1 3 368.547 2.008 20 0 FEADHO COCCN(C)CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000247473386 549339919 /nfs/dbraw/zinc/33/99/19/549339919.db2.gz SNZLFJBXLDSBHR-WBVHZDCISA-N 1 3 368.547 2.008 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000118772731 543658567 /nfs/dbraw/zinc/65/85/67/543658567.db2.gz CMKUXSRHSSYAOR-SFHVURJKSA-N 1 3 358.530 2.290 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000118772731 543658570 /nfs/dbraw/zinc/65/85/70/543658570.db2.gz CMKUXSRHSSYAOR-SFHVURJKSA-N 1 3 358.530 2.290 20 0 FEADHO CC(C)N(C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000124771650 543841954 /nfs/dbraw/zinc/84/19/54/543841954.db2.gz CAUMCSMPEKWURS-RBUKOAKNSA-N 1 3 352.567 2.122 20 0 FEADHO CC(C)N(C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124771650 543841958 /nfs/dbraw/zinc/84/19/58/543841958.db2.gz CAUMCSMPEKWURS-RBUKOAKNSA-N 1 3 352.567 2.122 20 0 FEADHO CCCN1CCC([NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)CC1 ZINC000125170259 543865089 /nfs/dbraw/zinc/86/50/89/543865089.db2.gz KKVJQCNYJOBPQZ-UHFFFAOYSA-N 1 3 367.559 2.478 20 0 FEADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)CC(=O)N(C)C)CC2)c1 ZINC000125332288 543875695 /nfs/dbraw/zinc/87/56/95/543875695.db2.gz YHZWODYROGGWHV-LJQANCHMSA-N 1 3 360.546 2.354 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1nc(C)ccc1OC ZINC000128056261 544030284 /nfs/dbraw/zinc/03/02/84/544030284.db2.gz XNTMJEZSYVRHMX-INIZCTEOSA-N 1 3 363.506 2.278 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1nc(C)ccc1OC ZINC000128056261 544030287 /nfs/dbraw/zinc/03/02/87/544030287.db2.gz XNTMJEZSYVRHMX-INIZCTEOSA-N 1 3 363.506 2.278 20 0 FEADHO Cc1nccn1-c1ccc([C@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128070632 544030974 /nfs/dbraw/zinc/03/09/74/544030974.db2.gz MQAHWAGEAGTGPZ-LPHOPBHVSA-N 1 3 369.513 2.419 20 0 FEADHO Cc1nccn1-c1ccc([C@H](C)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128070632 544030976 /nfs/dbraw/zinc/03/09/76/544030976.db2.gz MQAHWAGEAGTGPZ-LPHOPBHVSA-N 1 3 369.513 2.419 20 0 FEADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000128070632 544030978 /nfs/dbraw/zinc/03/09/78/544030978.db2.gz MQAHWAGEAGTGPZ-LPHOPBHVSA-N 1 3 369.513 2.419 20 0 FEADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000128389419 544049634 /nfs/dbraw/zinc/04/96/34/544049634.db2.gz WCPGQAVYYAMWNK-KRWDZBQOSA-N 1 3 360.502 2.321 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@H]2CCCN(C)C2)CC1 ZINC000129133731 544092838 /nfs/dbraw/zinc/09/28/38/544092838.db2.gz UYLXSWWTPILRFH-LJQANCHMSA-N 1 3 368.566 2.108 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@H]2CCCN(C)C2)CC1 ZINC000129133731 544092841 /nfs/dbraw/zinc/09/28/41/544092841.db2.gz UYLXSWWTPILRFH-LJQANCHMSA-N 1 3 368.566 2.108 20 0 FEADHO Cc1nccn1CCCN(C)CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000130342479 544147515 /nfs/dbraw/zinc/14/75/15/544147515.db2.gz RRMXHEALGGCLMZ-UHFFFAOYSA-N 1 3 366.469 2.016 20 0 FEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000131104926 544177502 /nfs/dbraw/zinc/17/75/02/544177502.db2.gz PEGUPHFUGAUPBI-LJQANCHMSA-N 1 3 353.551 2.458 20 0 FEADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000131104926 544177504 /nfs/dbraw/zinc/17/75/04/544177504.db2.gz PEGUPHFUGAUPBI-LJQANCHMSA-N 1 3 353.551 2.458 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000136750117 544378718 /nfs/dbraw/zinc/37/87/18/544378718.db2.gz RXSGLJFUVPCBJQ-ICSRJNTNSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000136750117 544378719 /nfs/dbraw/zinc/37/87/19/544378719.db2.gz RXSGLJFUVPCBJQ-ICSRJNTNSA-N 1 3 374.529 2.253 20 0 FEADHO Cc1ccc2c(c1)[C@H](NC(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CO2 ZINC000152015036 544606095 /nfs/dbraw/zinc/60/60/95/544606095.db2.gz ZPSVCRUTMUCIGX-LJQANCHMSA-N 1 3 372.513 2.286 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000154509020 544914657 /nfs/dbraw/zinc/91/46/57/544914657.db2.gz AXKQVTDJTSUHJJ-BXKMTCNYSA-N 1 3 351.560 2.492 20 0 FEADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCN2C2CCOCC2)c1 ZINC000154860649 544958248 /nfs/dbraw/zinc/95/82/48/544958248.db2.gz NEEPBAHROANORW-FQEVSTJZSA-N 1 3 359.514 2.398 20 0 FEADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCN2C2CCOCC2)c1 ZINC000154860649 544958249 /nfs/dbraw/zinc/95/82/49/544958249.db2.gz NEEPBAHROANORW-FQEVSTJZSA-N 1 3 359.514 2.398 20 0 FEADHO CN(C)CCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188687575 328104297 /nfs/dbraw/zinc/10/42/97/328104297.db2.gz RQWPTGQPRYDWJQ-UHFFFAOYSA-N 1 3 356.308 2.327 20 0 FEADHO COc1ccc(COC[C@H](O)CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000193080884 328356095 /nfs/dbraw/zinc/35/60/95/328356095.db2.gz MZKCLXIVNRUPQK-HXUWFJFHSA-N 1 3 362.514 2.381 20 0 FEADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)[C@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000237166312 328507106 /nfs/dbraw/zinc/50/71/06/328507106.db2.gz OYQJFLOZCZJZRF-HXUWFJFHSA-N 1 3 373.501 2.231 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000237720946 328526239 /nfs/dbraw/zinc/52/62/39/328526239.db2.gz YOXNPRWAWBPBOV-HXUWFJFHSA-N 1 3 358.530 2.156 20 0 FEADHO CCC[NH+]1CCN(c2ccccc2CN[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000088739204 325299722 /nfs/dbraw/zinc/29/97/22/325299722.db2.gz VIBPOSBKOVEDGB-SFHVURJKSA-N 1 3 356.514 2.072 20 0 FEADHO CC[NH+](CC)[C@H](C)CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000109947639 325681121 /nfs/dbraw/zinc/68/11/21/325681121.db2.gz SFSZVFVLVTYYBA-LJQANCHMSA-N 1 3 360.546 2.435 20 0 FEADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000118097063 326080392 /nfs/dbraw/zinc/08/03/92/326080392.db2.gz SWTCASRSZDVWPD-SFHVURJKSA-N 1 3 360.502 2.067 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000119889760 326209443 /nfs/dbraw/zinc/20/94/43/326209443.db2.gz UUNLZMPIHIPFPJ-HKUYNNGSSA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000119889760 326209445 /nfs/dbraw/zinc/20/94/45/326209445.db2.gz UUNLZMPIHIPFPJ-HKUYNNGSSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000120424870 326257717 /nfs/dbraw/zinc/25/77/17/326257717.db2.gz MGSLHEUUHVIVTI-WMZOPIPTSA-N 1 3 362.518 2.109 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000120424870 326257720 /nfs/dbraw/zinc/25/77/20/326257720.db2.gz MGSLHEUUHVIVTI-WMZOPIPTSA-N 1 3 362.518 2.109 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000121400527 326336063 /nfs/dbraw/zinc/33/60/63/326336063.db2.gz SFCRLDUUAMJITQ-UHFFFAOYSA-N 1 3 350.894 2.316 20 0 FEADHO COCCCN1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000158693814 326904123 /nfs/dbraw/zinc/90/41/23/326904123.db2.gz XPMKNSGRCLJCNW-LJQANCHMSA-N 1 3 366.550 2.147 20 0 FEADHO COc1ccc(C)cc1[C@@H](C)NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000162390458 327024578 /nfs/dbraw/zinc/02/45/78/327024578.db2.gz SNBXUIIUMYYOBH-GOSISDBHSA-N 1 3 361.530 2.451 20 0 FEADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(-n2cnnn2)cc1 ZINC000162598947 327029593 /nfs/dbraw/zinc/02/95/93/327029593.db2.gz SUEBTVWTQMVSNB-INIZCTEOSA-N 1 3 366.469 2.454 20 0 FEADHO COc1cccc(CC(=O)N2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)c1 ZINC000166408609 327081932 /nfs/dbraw/zinc/08/19/32/327081932.db2.gz TUWGNCOIPMBJCX-WOJBJXKFSA-N 1 3 371.525 2.445 20 0 FEADHO COc1cccc(CC(=O)N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166408609 327081934 /nfs/dbraw/zinc/08/19/34/327081934.db2.gz TUWGNCOIPMBJCX-WOJBJXKFSA-N 1 3 371.525 2.445 20 0 FEADHO COc1cccc(CC(=O)N2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166408609 327081936 /nfs/dbraw/zinc/08/19/36/327081936.db2.gz TUWGNCOIPMBJCX-WOJBJXKFSA-N 1 3 371.525 2.445 20 0 FEADHO c1ccc(N2CCN(C[C@H]3CCCN(CCC[NH+]4CCCC4)C3)CC2)nc1 ZINC000170794214 327099531 /nfs/dbraw/zinc/09/95/31/327099531.db2.gz PFNAUELCZFUTKE-NRFANRHFSA-N 1 3 371.573 2.402 20 0 FEADHO O=C(NCCN1CCCCC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171531288 327144557 /nfs/dbraw/zinc/14/45/57/327144557.db2.gz RPMPZSSNFKOOEW-HXUWFJFHSA-N 1 3 358.530 2.336 20 0 FEADHO O=C(NCCN1CCCCC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000171531288 327144558 /nfs/dbraw/zinc/14/45/58/327144558.db2.gz RPMPZSSNFKOOEW-HXUWFJFHSA-N 1 3 358.530 2.336 20 0 FEADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000171611936 327148167 /nfs/dbraw/zinc/14/81/67/327148167.db2.gz QGANVQSCGLPJNJ-HXUWFJFHSA-N 1 3 358.530 2.429 20 0 FEADHO CC(C)[C@H](CNC(=O)Nc1ccn(CCN(C)C)n1)[NH+]1CCC(C)CC1 ZINC000173936689 327295796 /nfs/dbraw/zinc/29/57/96/327295796.db2.gz STTWISHXBDMPOU-KRWDZBQOSA-N 1 3 364.538 2.323 20 0 FEADHO O[C@@H](COc1ccc(F)cc1)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173959499 327297758 /nfs/dbraw/zinc/29/77/58/327297758.db2.gz NBOMAJSUSWXUDX-GOSISDBHSA-N 1 3 366.477 2.142 20 0 FEADHO C[C@H](CNC(=O)[C@@H]1CCCCN1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000174830944 327353977 /nfs/dbraw/zinc/35/39/77/327353977.db2.gz UCWSCHJVWZVCFA-CTNGQTDRSA-N 1 3 372.557 2.041 20 0 FEADHO C[C@H](CNC(=O)[C@H]1CCCCN1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000174830960 327354023 /nfs/dbraw/zinc/35/40/23/327354023.db2.gz UCWSCHJVWZVCFA-TZIWHRDSSA-N 1 3 372.557 2.041 20 0 FEADHO [NH3+]Cc1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000178832623 327610309 /nfs/dbraw/zinc/61/03/09/327610309.db2.gz AKVWNYWSYVTCRI-UHFFFAOYSA-N 1 3 353.466 2.032 20 0 FEADHO O=C(NCCCOC1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000178848345 327611347 /nfs/dbraw/zinc/61/13/47/327611347.db2.gz ZALSSYQHIDINRP-LJQANCHMSA-N 1 3 359.514 2.174 20 0 FEADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262324820 328859142 /nfs/dbraw/zinc/85/91/42/328859142.db2.gz FXRVFMIPXZRWDN-SIKLNZKXSA-N 1 3 371.525 2.039 20 0 FEADHO CN(C)CCNC(=O)C1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000264247421 329004535 /nfs/dbraw/zinc/00/45/35/329004535.db2.gz WYLVEMIBAPKVDX-UHFFFAOYSA-N 1 3 361.530 2.026 20 0 FEADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266854563 329266057 /nfs/dbraw/zinc/26/60/57/329266057.db2.gz SMEFQSKALVQIFN-WOJBJXKFSA-N 1 3 356.514 2.388 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](COC)c1ccco1 ZINC000266924289 329273154 /nfs/dbraw/zinc/27/31/54/329273154.db2.gz FRHLUEFYHSLBNM-DLBZAZTESA-N 1 3 366.506 2.025 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](COC)c1ccco1 ZINC000266924289 329273156 /nfs/dbraw/zinc/27/31/56/329273156.db2.gz FRHLUEFYHSLBNM-DLBZAZTESA-N 1 3 366.506 2.025 20 0 FEADHO COCCOCC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000267458377 329329695 /nfs/dbraw/zinc/32/96/95/329329695.db2.gz QLRQEYNHKBHWCL-FQEVSTJZSA-N 1 3 350.503 2.027 20 0 FEADHO COCCOCC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000267458377 329329697 /nfs/dbraw/zinc/32/96/97/329329697.db2.gz QLRQEYNHKBHWCL-FQEVSTJZSA-N 1 3 350.503 2.027 20 0 FEADHO CN(C)[C@]1(CNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)CCSC1 ZINC000269244150 329499936 /nfs/dbraw/zinc/49/99/36/329499936.db2.gz SIVXPOOCQHBRCK-IBGZPJMESA-N 1 3 360.527 2.157 20 0 FEADHO COC(=O)CCCN1CCC([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000271793156 329725919 /nfs/dbraw/zinc/72/59/19/329725919.db2.gz JKMCEOIJBSKYGZ-UHFFFAOYSA-N 1 3 374.529 2.305 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)Nc2ccccc2CCN(C)C)CC1 ZINC000275748715 330084725 /nfs/dbraw/zinc/08/47/25/330084725.db2.gz ZUDQGCLVWDDVNT-UHFFFAOYSA-N 1 3 362.518 2.413 20 0 FEADHO C[C@H](CCNC(=O)C(=O)Nc1ccccc1CCN(C)C)[NH+]1CCCCC1 ZINC000275878889 330099161 /nfs/dbraw/zinc/09/91/61/330099161.db2.gz QQZRPUYXCJJZIL-QGZVFWFLSA-N 1 3 374.529 2.110 20 0 FEADHO CCN(CCC[NH+](C)C)C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000276187092 330127267 /nfs/dbraw/zinc/12/72/67/330127267.db2.gz YSOVBHPZZYFLSH-UHFFFAOYSA-N 1 3 350.507 2.110 20 0 FEADHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000294194521 330191750 /nfs/dbraw/zinc/19/17/50/330191750.db2.gz KLNBXVVPDAEOKV-IAGOWNOFSA-N 1 3 354.516 2.072 20 0 FEADHO Cc1ccccc1NC(=O)CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367026776 330208408 /nfs/dbraw/zinc/20/84/08/330208408.db2.gz COHWCLVJBWMHJB-UYAOXDASSA-N 1 3 358.530 2.281 20 0 FEADHO OC(CN[C@H]1CCCC12CCOCC2)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000367104889 330217393 /nfs/dbraw/zinc/21/73/93/330217393.db2.gz BLTXLQUPESKCGN-OALUTQOASA-N 1 3 366.546 2.225 20 0 FEADHO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000623960681 676558604 /nfs/dbraw/zinc/55/86/04/676558604.db2.gz DHUIUNDLMMKLAC-HZMBPMFUSA-N 1 3 351.800 2.341 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000477494722 561146379 /nfs/dbraw/zinc/14/63/79/561146379.db2.gz AEFGPKLXVQTOAC-WOJBJXKFSA-N 1 3 374.529 2.186 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000477494722 561146380 /nfs/dbraw/zinc/14/63/80/561146380.db2.gz AEFGPKLXVQTOAC-WOJBJXKFSA-N 1 3 374.529 2.186 20 0 FEADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000159129309 545923664 /nfs/dbraw/zinc/92/36/64/545923664.db2.gz FTZJKVPUBSDVIO-OAHLLOKOSA-N 1 3 369.531 2.210 20 0 FEADHO C[NH+](C)CCOc1ccc(CNC(=O)[C@@H](CN)c2ccc(F)cc2)cc1 ZINC000479191474 561184072 /nfs/dbraw/zinc/18/40/72/561184072.db2.gz SMMNJXYRSODXEA-IBGZPJMESA-N 1 3 359.445 2.125 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000479768989 561196813 /nfs/dbraw/zinc/19/68/13/561196813.db2.gz LJWSEDQIBUZNQS-UHFFFAOYSA-N 1 3 362.518 2.253 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000175733373 546341086 /nfs/dbraw/zinc/34/10/86/546341086.db2.gz WUNURZKIHIEGSH-MSOLQXFVSA-N 1 3 362.518 2.299 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnc(C2CC2)nc1 ZINC000176117813 546410015 /nfs/dbraw/zinc/41/00/15/546410015.db2.gz LDHMDMYLYJOFLY-KRWDZBQOSA-N 1 3 360.506 2.234 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnc(C2CC2)nc1 ZINC000176117813 546410021 /nfs/dbraw/zinc/41/00/21/546410021.db2.gz LDHMDMYLYJOFLY-KRWDZBQOSA-N 1 3 360.506 2.234 20 0 FEADHO CCc1cnc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000176381441 546438230 /nfs/dbraw/zinc/43/82/30/546438230.db2.gz MLHJUPMLLAQWAI-UHFFFAOYSA-N 1 3 365.547 2.063 20 0 FEADHO C[C@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000481036938 561223448 /nfs/dbraw/zinc/22/34/48/561223448.db2.gz OPRROFTWSRVNMC-QAPCUYQASA-N 1 3 350.482 2.460 20 0 FEADHO C[C@@H]1CCC[C@](CNC(=O)NC[C@@]2(N(C)C)CCSC2)([NH+](C)C)C1 ZINC000481285901 561229678 /nfs/dbraw/zinc/22/96/78/561229678.db2.gz BMQLEISMEKQACC-NJAFHUGGSA-N 1 3 356.580 2.233 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC([C@@H](C)[NH3+])CC3)CC2)c1 ZINC000178849692 546861502 /nfs/dbraw/zinc/86/15/02/546861502.db2.gz XVUSYPKTLHRHQQ-GOSISDBHSA-N 1 3 358.530 2.093 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C[C@@H](C)O)CC1 ZINC000179087755 546897208 /nfs/dbraw/zinc/89/72/08/546897208.db2.gz SLYMUJJGFLDYEV-WIYYLYMNSA-N 1 3 373.541 2.311 20 0 FEADHO CN(C)[C@@]1(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCSC1 ZINC000481772182 561241628 /nfs/dbraw/zinc/24/16/28/561241628.db2.gz ATKCQLPDEWHSGD-FUHWJXTLSA-N 1 3 354.564 2.084 20 0 FEADHO CN(C)[C@@]1(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCSC1 ZINC000481787204 561242275 /nfs/dbraw/zinc/24/22/75/561242275.db2.gz WWHAUVSLUBIQRA-GOSISDBHSA-N 1 3 354.564 2.084 20 0 FEADHO CN(C)[C@@]1(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCSC1 ZINC000481787204 561242276 /nfs/dbraw/zinc/24/22/76/561242276.db2.gz WWHAUVSLUBIQRA-GOSISDBHSA-N 1 3 354.564 2.084 20 0 FEADHO C[NH+](C)[C@@]1(CNC(=O)N2CCN(CCC(C)(C)C)CC2)CCSC1 ZINC000481785370 561242344 /nfs/dbraw/zinc/24/23/44/561242344.db2.gz QSEASOIAQZUWOP-GOSISDBHSA-N 1 3 356.580 2.187 20 0 FEADHO CN1CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)[C@@H]1c1ccccc1 ZINC000179486910 546963260 /nfs/dbraw/zinc/96/32/60/546963260.db2.gz PZJXBTLCVHWDTK-UFYCRDLUSA-N 1 3 374.529 2.184 20 0 FEADHO C[NH+](C)C1CCN(CCNC(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000482031487 561247653 /nfs/dbraw/zinc/24/76/53/561247653.db2.gz XIUWRNCBHHWAKB-UHFFFAOYSA-N 1 3 367.497 2.003 20 0 FEADHO COC(=O)c1ccc(Cl)c(CNCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000482237864 561250910 /nfs/dbraw/zinc/25/09/10/561250910.db2.gz BKTUOAORJOLARA-MRXNPFEDSA-N 1 3 354.878 2.453 20 0 FEADHO COC(=O)c1ccc(Cl)c(CNCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000482237864 561250911 /nfs/dbraw/zinc/25/09/11/561250911.db2.gz BKTUOAORJOLARA-MRXNPFEDSA-N 1 3 354.878 2.453 20 0 FEADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(-n2ccnc2)cc1 ZINC000482566409 561256103 /nfs/dbraw/zinc/25/61/03/561256103.db2.gz MBTDLUNBKXCFJS-FUHWJXTLSA-N 1 3 355.486 2.110 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000181975052 547415418 /nfs/dbraw/zinc/41/54/18/547415418.db2.gz GBLJSJOASPDKMC-QYZOEREBSA-N 1 3 359.514 2.271 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C(F)(F)F ZINC000483666485 561281557 /nfs/dbraw/zinc/28/15/57/561281557.db2.gz YIRFFVSRBHQUOT-KBPBESRZSA-N 1 3 352.445 2.242 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)C(F)(F)F ZINC000483666485 561281558 /nfs/dbraw/zinc/28/15/58/561281558.db2.gz YIRFFVSRBHQUOT-KBPBESRZSA-N 1 3 352.445 2.242 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@@H]1CCCCO1 ZINC000182221289 547455955 /nfs/dbraw/zinc/45/59/55/547455955.db2.gz RIFBVBQFFAAROL-MSOLQXFVSA-N 1 3 354.539 2.003 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@@H]1CCCCO1 ZINC000182221289 547455957 /nfs/dbraw/zinc/45/59/57/547455957.db2.gz RIFBVBQFFAAROL-MSOLQXFVSA-N 1 3 354.539 2.003 20 0 FEADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000182488036 547502534 /nfs/dbraw/zinc/50/25/34/547502534.db2.gz OAPHKFPMSPZDGW-ZWKOTPCHSA-N 1 3 354.516 2.072 20 0 FEADHO CC(=O)c1ccccc1OCCN1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000182904253 547569450 /nfs/dbraw/zinc/56/94/50/547569450.db2.gz JMNIPUVWBBQMID-LJQANCHMSA-N 1 3 359.514 2.370 20 0 FEADHO COC[C@H](NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000183479095 547668626 /nfs/dbraw/zinc/66/86/26/547668626.db2.gz GPLYDAAAOHAGNJ-FQEVSTJZSA-N 1 3 359.514 2.090 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ncc(OC)s1 ZINC000484623664 561301362 /nfs/dbraw/zinc/30/13/62/561301362.db2.gz VUZOPGGZIAFQCK-CYBMUJFWSA-N 1 3 355.508 2.032 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ncc(OC)s1 ZINC000484623664 561301363 /nfs/dbraw/zinc/30/13/63/561301363.db2.gz VUZOPGGZIAFQCK-CYBMUJFWSA-N 1 3 355.508 2.032 20 0 FEADHO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC2(CN(C)C)CCCC2)cc1 ZINC000183953207 547743975 /nfs/dbraw/zinc/74/39/75/547743975.db2.gz NABPGQDUTIDEJD-HNNXBMFYSA-N 1 3 353.532 2.367 20 0 FEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21 ZINC000485453049 561319606 /nfs/dbraw/zinc/31/96/06/561319606.db2.gz IZYJEDZXPGEKNK-AABGKKOBSA-N 1 3 356.514 2.387 20 0 FEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21 ZINC000485453049 561319607 /nfs/dbraw/zinc/31/96/07/561319607.db2.gz IZYJEDZXPGEKNK-AABGKKOBSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185762996 548031734 /nfs/dbraw/zinc/03/17/34/548031734.db2.gz ONYYKPUOGAEPKW-HOTGVXAUSA-N 1 3 362.518 2.094 20 0 FEADHO C[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185762996 548031736 /nfs/dbraw/zinc/03/17/36/548031736.db2.gz ONYYKPUOGAEPKW-HOTGVXAUSA-N 1 3 362.518 2.094 20 0 FEADHO C[C@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000185762996 548031738 /nfs/dbraw/zinc/03/17/38/548031738.db2.gz ONYYKPUOGAEPKW-HOTGVXAUSA-N 1 3 362.518 2.094 20 0 FEADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000190990358 548338054 /nfs/dbraw/zinc/33/80/54/548338054.db2.gz SKLKJIQQOSXEDC-GOSISDBHSA-N 1 3 351.535 2.258 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000195163063 548586773 /nfs/dbraw/zinc/58/67/73/548586773.db2.gz ZFQRLLBSMAUNNG-LJQANCHMSA-N 1 3 358.530 2.013 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cc(F)cc(F)c3)CC2)CC1 ZINC000195274459 548609617 /nfs/dbraw/zinc/60/96/17/548609617.db2.gz WQBGNRIXSOCLMY-UHFFFAOYSA-N 1 3 366.456 2.323 20 0 FEADHO CN(C)c1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000195341821 548628577 /nfs/dbraw/zinc/62/85/77/548628577.db2.gz DWHOJBKKRUDJND-UHFFFAOYSA-N 1 3 359.518 2.433 20 0 FEADHO C[C@H](CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)[C@H]1CCC[NH2+]C1 ZINC000237570216 548835553 /nfs/dbraw/zinc/83/55/53/548835553.db2.gz MYZNYJOSQNXXIH-CABCVRRESA-N 1 3 374.485 2.120 20 0 FEADHO C[C@@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000237587498 548836444 /nfs/dbraw/zinc/83/64/44/548836444.db2.gz BGQICDODRKCXER-YLJYHZDGSA-N 1 3 359.514 2.426 20 0 FEADHO C[C@@H](CC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237603551 548837363 /nfs/dbraw/zinc/83/73/63/548837363.db2.gz FMUAXBGKIYPQDU-PNYFIKQUSA-N 1 3 365.562 2.360 20 0 FEADHO C[C@H]1C[NH+](CCC2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000237606169 548838757 /nfs/dbraw/zinc/83/87/57/548838757.db2.gz NKQHSMNCWWMXON-WFXMLNOXSA-N 1 3 373.541 2.294 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC000245936669 549025161 /nfs/dbraw/zinc/02/51/61/549025161.db2.gz ZPPZDTCEWXLDJB-FQEVSTJZSA-N 1 3 373.541 2.265 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC000245936669 549025163 /nfs/dbraw/zinc/02/51/63/549025163.db2.gz ZPPZDTCEWXLDJB-FQEVSTJZSA-N 1 3 373.541 2.265 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000245963065 549029091 /nfs/dbraw/zinc/02/90/91/549029091.db2.gz MVKIUXHDTWAFFX-SLFFLAALSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000245963065 549029094 /nfs/dbraw/zinc/02/90/94/549029094.db2.gz MVKIUXHDTWAFFX-SLFFLAALSA-N 1 3 358.530 2.285 20 0 FEADHO CC[N@@H+]1CCC[C@@H](NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000245984281 549031191 /nfs/dbraw/zinc/03/11/91/549031191.db2.gz ZGBSRXABYYNUOI-VQIMIIECSA-N 1 3 359.518 2.391 20 0 FEADHO CC[N@H+]1CCC[C@@H](NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000245984281 549031193 /nfs/dbraw/zinc/03/11/93/549031193.db2.gz ZGBSRXABYYNUOI-VQIMIIECSA-N 1 3 359.518 2.391 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000246166301 549067921 /nfs/dbraw/zinc/06/79/21/549067921.db2.gz DYASGTGVIHXPEG-IRXDYDNUSA-N 1 3 350.507 2.473 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000246166301 549067924 /nfs/dbraw/zinc/06/79/24/549067924.db2.gz DYASGTGVIHXPEG-IRXDYDNUSA-N 1 3 350.507 2.473 20 0 FEADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]1CSCCN1 ZINC000246357410 549113723 /nfs/dbraw/zinc/11/37/23/549113723.db2.gz XQILDGFKQYHWEM-OALUTQOASA-N 1 3 361.555 2.452 20 0 FEADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]1CSCCN1 ZINC000246357410 549113729 /nfs/dbraw/zinc/11/37/29/549113729.db2.gz XQILDGFKQYHWEM-OALUTQOASA-N 1 3 361.555 2.452 20 0 FEADHO C[C@H](CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000488536031 561391530 /nfs/dbraw/zinc/39/15/30/561391530.db2.gz MYEDGDCDSWVTKM-INDMIFKZSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000246833651 549225034 /nfs/dbraw/zinc/22/50/34/549225034.db2.gz APUISHPEQMKSCK-IXDOHACOSA-N 1 3 358.490 2.202 20 0 FEADHO CC[N@@H+]1CC[C@@H](NCc2cccc(OCCN3CCOCC3)c2)[C@@H](C)C1 ZINC000247097717 549283056 /nfs/dbraw/zinc/28/30/56/549283056.db2.gz PWGJNFNIZIAURV-GHTZIAJQSA-N 1 3 361.530 2.218 20 0 FEADHO CC[N@H+]1CC[C@@H](NCc2cccc(OCCN3CCOCC3)c2)[C@@H](C)C1 ZINC000247097717 549283058 /nfs/dbraw/zinc/28/30/58/549283058.db2.gz PWGJNFNIZIAURV-GHTZIAJQSA-N 1 3 361.530 2.218 20 0 FEADHO CCN1CC[C@@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)[C@@H](C)C1 ZINC000247097717 549283061 /nfs/dbraw/zinc/28/30/61/549283061.db2.gz PWGJNFNIZIAURV-GHTZIAJQSA-N 1 3 361.530 2.218 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@H]1CCCCO1 ZINC000248417509 549432996 /nfs/dbraw/zinc/43/29/96/549432996.db2.gz RIFBVBQFFAAROL-ZWKOTPCHSA-N 1 3 354.539 2.003 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@H]1CCCCO1 ZINC000248417509 549432999 /nfs/dbraw/zinc/43/29/99/549432999.db2.gz RIFBVBQFFAAROL-ZWKOTPCHSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@@H](O)CN(C[C@H](O)C[N@H+](C[C@H](C)O)C1CCCCC1)C1CCCCC1 ZINC000248764162 549498261 /nfs/dbraw/zinc/49/82/61/549498261.db2.gz ZNGUAXIEPLLILL-WGMWDUQUSA-N 1 3 370.578 2.378 20 0 FEADHO C[C@@H](O)CN(C[C@H](O)C[N@@H+](C[C@H](C)O)C1CCCCC1)C1CCCCC1 ZINC000248764162 549498263 /nfs/dbraw/zinc/49/82/63/549498263.db2.gz ZNGUAXIEPLLILL-WGMWDUQUSA-N 1 3 370.578 2.378 20 0 FEADHO C[C@@H](O)C[N@@H+](C[C@H](O)CN(C[C@H](C)O)C1CCCCC1)C1CCCCC1 ZINC000248764162 549498266 /nfs/dbraw/zinc/49/82/66/549498266.db2.gz ZNGUAXIEPLLILL-WGMWDUQUSA-N 1 3 370.578 2.378 20 0 FEADHO C[C@@H](O)C[N@H+](C[C@H](O)CN(C[C@H](C)O)C1CCCCC1)C1CCCCC1 ZINC000248764162 549498270 /nfs/dbraw/zinc/49/82/70/549498270.db2.gz ZNGUAXIEPLLILL-WGMWDUQUSA-N 1 3 370.578 2.378 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000248781305 549501638 /nfs/dbraw/zinc/50/16/38/549501638.db2.gz VLSZFPONYJSIDG-QRQLOZEOSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000248781305 549501640 /nfs/dbraw/zinc/50/16/40/549501640.db2.gz VLSZFPONYJSIDG-QRQLOZEOSA-N 1 3 356.514 2.433 20 0 FEADHO O=C(NC[C@@H]1CCCN(CCOC2CCCCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000261809759 549757922 /nfs/dbraw/zinc/75/79/22/549757922.db2.gz JMHHZEBJVOGXPR-PKOBYXMFSA-N 1 3 351.535 2.306 20 0 FEADHO O=C1C[C@H](N[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CN1c1ccccc1Cl ZINC000261900569 549767832 /nfs/dbraw/zinc/76/78/32/549767832.db2.gz HQQRRVPSTOZCHQ-XOSAIJSUSA-N 1 3 363.889 2.192 20 0 FEADHO CCN(CC)[C@H](CNC(=O)C1(COC)CC[NH2+]CC1)c1ccsc1 ZINC000262440843 549820049 /nfs/dbraw/zinc/82/00/49/549820049.db2.gz YDJABUWEYIRCME-MRXNPFEDSA-N 1 3 353.532 2.263 20 0 FEADHO O=C(NC1CC[NH2+]CC1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262505940 549825402 /nfs/dbraw/zinc/82/54/02/549825402.db2.gz JWZIWRVMBIPZLO-KRWDZBQOSA-N 1 3 355.404 2.309 20 0 FEADHO N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000262663098 549836312 /nfs/dbraw/zinc/83/63/12/549836312.db2.gz ZQKGYSZKFBCGCT-NRFANRHFSA-N 1 3 367.493 2.399 20 0 FEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262707539 549841394 /nfs/dbraw/zinc/84/13/94/549841394.db2.gz DQOYSXPUJIRQPD-RBUKOAKNSA-N 1 3 367.497 2.202 20 0 FEADHO C[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)N(C)Cc1ccccc1 ZINC000262769600 549848063 /nfs/dbraw/zinc/84/80/63/549848063.db2.gz MFDJYPZYIYPGJY-FUHWJXTLSA-N 1 3 355.486 2.058 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1(C)C ZINC000262790026 549849811 /nfs/dbraw/zinc/84/98/11/549849811.db2.gz NQUBIQFSJOQKHS-UEXGIBASSA-N 1 3 365.562 2.489 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cnc(-c3ccccc3OC)nc2)CC1 ZINC000490556732 561435029 /nfs/dbraw/zinc/43/50/29/561435029.db2.gz OKFDQWCCVIJMIW-KRWDZBQOSA-N 1 3 369.513 2.268 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000263775600 549934845 /nfs/dbraw/zinc/93/48/45/549934845.db2.gz NXMHDQZKVPHQEG-FQEVSTJZSA-N 1 3 374.529 2.061 20 0 FEADHO C[C@@H](CC[NH+](C)C)NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000263895377 549952719 /nfs/dbraw/zinc/95/27/19/549952719.db2.gz VIBLXOLLBLUZHD-KRWDZBQOSA-N 1 3 361.534 2.070 20 0 FEADHO C[C@H](C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)CN(C)C ZINC000491588453 561447001 /nfs/dbraw/zinc/44/70/01/561447001.db2.gz INKXFGONJRZJKW-MRXNPFEDSA-N 1 3 369.937 2.338 20 0 FEADHO CN1CCC(O)(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000268957970 550137539 /nfs/dbraw/zinc/13/75/39/550137539.db2.gz DVOJTZJGYVKAHM-UHFFFAOYSA-N 1 3 351.922 2.351 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000269196226 550166476 /nfs/dbraw/zinc/16/64/76/550166476.db2.gz LNCADSGFNYSSKI-PKOBYXMFSA-N 1 3 358.530 2.335 20 0 FEADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H](CN)c3ccccc3)nc2)CC1 ZINC000269291955 550177277 /nfs/dbraw/zinc/17/72/77/550177277.db2.gz LLLRXMMXPAICQN-IBGZPJMESA-N 1 3 367.497 2.293 20 0 FEADHO CN1CCN(Cc2ccc(CNC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000269391977 550189877 /nfs/dbraw/zinc/18/98/77/550189877.db2.gz AACGTEKMHQAAPT-OAQYLSRUSA-N 1 3 366.509 2.140 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCc1ccccn1 ZINC000269425470 550194513 /nfs/dbraw/zinc/19/45/13/550194513.db2.gz FNHHVKUSLRZARM-LJQANCHMSA-N 1 3 361.534 2.072 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCc1ccccn1 ZINC000269425470 550194516 /nfs/dbraw/zinc/19/45/16/550194516.db2.gz FNHHVKUSLRZARM-LJQANCHMSA-N 1 3 361.534 2.072 20 0 FEADHO C[C@@]1(CO)CCC[C@H]1NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000493391769 561455764 /nfs/dbraw/zinc/45/57/64/561455764.db2.gz WTONWNJMHHFXGK-CTNGQTDRSA-N 1 3 359.514 2.039 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)CC2)c1 ZINC000493537030 561456640 /nfs/dbraw/zinc/45/66/40/561456640.db2.gz PBXLZOZACHKZEV-FPOVZHCZSA-N 1 3 370.541 2.060 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)CC2)c1 ZINC000493537030 561456641 /nfs/dbraw/zinc/45/66/41/561456641.db2.gz PBXLZOZACHKZEV-FPOVZHCZSA-N 1 3 370.541 2.060 20 0 FEADHO C[C@H](NC(=O)NCc1ccccc1OCC[NH+](C)C)C1=CCN(C)CC1 ZINC000272758119 550469226 /nfs/dbraw/zinc/46/92/26/550469226.db2.gz OHAQCGSHWWMTOO-INIZCTEOSA-N 1 3 360.502 2.077 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H](C)C3=CC[N@H+](C)CC3)CC2)c1 ZINC000272963282 550478502 /nfs/dbraw/zinc/47/85/02/550478502.db2.gz NPTYBLBBKJGTEW-LJQANCHMSA-N 1 3 370.541 2.274 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)CC2)c1 ZINC000272963282 550478503 /nfs/dbraw/zinc/47/85/03/550478503.db2.gz NPTYBLBBKJGTEW-LJQANCHMSA-N 1 3 370.541 2.274 20 0 FEADHO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(OCCN(C)C)cc1 ZINC000274811255 550556462 /nfs/dbraw/zinc/55/64/62/550556462.db2.gz VEJAHLFBGFROIP-INIZCTEOSA-N 1 3 356.532 2.493 20 0 FEADHO O=C(CC[C@@H]1CCC[NH2+]1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000494669771 561473755 /nfs/dbraw/zinc/47/37/55/561473755.db2.gz QFUVNTVPFRADNZ-KRWDZBQOSA-N 1 3 363.477 2.317 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000494686003 561474370 /nfs/dbraw/zinc/47/43/70/561474370.db2.gz AEGOXJZRZVTHJA-OKZBNKHCSA-N 1 3 366.550 2.144 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000494686003 561474371 /nfs/dbraw/zinc/47/43/71/561474371.db2.gz AEGOXJZRZVTHJA-OKZBNKHCSA-N 1 3 366.550 2.144 20 0 FEADHO O=c1[nH]ccc2c1CN(CCCCC[N@@H+]1CCc3cc[nH]c(=O)c3C1)CC2 ZINC000276853114 550603181 /nfs/dbraw/zinc/60/31/81/550603181.db2.gz ADMWALJTHXMQQC-UHFFFAOYSA-N 1 3 368.481 2.475 20 0 FEADHO O=c1[nH]ccc2c1CN(CCCCC[N@H+]1CCc3cc[nH]c(=O)c3C1)CC2 ZINC000276853114 550603182 /nfs/dbraw/zinc/60/31/82/550603182.db2.gz ADMWALJTHXMQQC-UHFFFAOYSA-N 1 3 368.481 2.475 20 0 FEADHO CCC[NH+]1CCC(CNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC000494896174 561478726 /nfs/dbraw/zinc/47/87/26/561478726.db2.gz VJFZUVWETLCMJG-KRWDZBQOSA-N 1 3 366.550 2.003 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000278427262 550784676 /nfs/dbraw/zinc/78/46/76/550784676.db2.gz YOELAZJCIZOSED-APWZRJJASA-N 1 3 355.486 2.300 20 0 FEADHO CC[C@]1(O)CCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000495232569 561485092 /nfs/dbraw/zinc/48/50/92/561485092.db2.gz MAUBZZZMTLSBIO-UWJYYQICSA-N 1 3 359.514 2.003 20 0 FEADHO CN1CCN(CCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1(C)C ZINC000281660720 551127002 /nfs/dbraw/zinc/12/70/02/551127002.db2.gz CHYIQOSXLGPQKE-UHFFFAOYSA-N 1 3 358.530 2.038 20 0 FEADHO NC1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000497326645 561498389 /nfs/dbraw/zinc/49/83/89/561498389.db2.gz XUFOCSNKVIUDBI-MOPGFXCFSA-N 1 3 357.498 2.007 20 0 FEADHO NC1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000497326645 561498390 /nfs/dbraw/zinc/49/83/90/561498390.db2.gz XUFOCSNKVIUDBI-MOPGFXCFSA-N 1 3 357.498 2.007 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282117545 551182772 /nfs/dbraw/zinc/18/27/72/551182772.db2.gz JHNWKBSWIXFEDY-LJQANCHMSA-N 1 3 359.514 2.417 20 0 FEADHO CN1CCN(CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1(C)C ZINC000282232537 551198664 /nfs/dbraw/zinc/19/86/64/551198664.db2.gz IPBXXQZJNMPOLN-UHFFFAOYSA-N 1 3 370.541 2.435 20 0 FEADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000282304076 551209308 /nfs/dbraw/zinc/20/93/08/551209308.db2.gz MPBNBVBBJOBJSG-QGZVFWFLSA-N 1 3 358.530 2.490 20 0 FEADHO CN(C)[C@]1(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)CCSC1 ZINC000497566511 561503976 /nfs/dbraw/zinc/50/39/76/561503976.db2.gz VSXGCOFOWQSPDJ-IBGZPJMESA-N 1 3 368.591 2.378 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)Cc1ccccc1 ZINC000498105051 561516056 /nfs/dbraw/zinc/51/60/56/561516056.db2.gz IJYQVXSUQYMMHN-VAMGGRTRSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)Cc1ccccc1 ZINC000498105051 561516057 /nfs/dbraw/zinc/51/60/57/561516057.db2.gz IJYQVXSUQYMMHN-VAMGGRTRSA-N 1 3 358.530 2.285 20 0 FEADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)c3ccc(=O)[nH]n3)CC2)cc1 ZINC000285504000 551766775 /nfs/dbraw/zinc/76/67/75/551766775.db2.gz AHUFBNBLDHDYHR-HNNXBMFYSA-N 1 3 356.470 2.341 20 0 FEADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000286912921 551939338 /nfs/dbraw/zinc/93/93/38/551939338.db2.gz AMJWTCYJPCLUST-YLJYHZDGSA-N 1 3 374.529 2.395 20 0 FEADHO CC[N@@H+]1CC[C@H](CNC(=O)c2cnn(CCN(C)C)c2-c2ccccc2)C1 ZINC000286958500 551944615 /nfs/dbraw/zinc/94/46/15/551944615.db2.gz AORJTLAMADBSDU-QGZVFWFLSA-N 1 3 369.513 2.183 20 0 FEADHO CC[N@H+]1CC[C@H](CNC(=O)c2cnn(CCN(C)C)c2-c2ccccc2)C1 ZINC000286958500 551944617 /nfs/dbraw/zinc/94/46/17/551944617.db2.gz AORJTLAMADBSDU-QGZVFWFLSA-N 1 3 369.513 2.183 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000287242519 551980292 /nfs/dbraw/zinc/98/02/92/551980292.db2.gz WGTXAXNBOPOVGR-IBGZPJMESA-N 1 3 360.502 2.224 20 0 FEADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000287738921 552040825 /nfs/dbraw/zinc/04/08/25/552040825.db2.gz PNWWHZIYCODTKG-ZACQAIPSSA-N 1 3 358.404 2.453 20 0 FEADHO [NH3+]C1CCN(CCCC(=O)N2CCNC[C@H]2c2ccccc2Cl)CC1 ZINC000499580746 561553930 /nfs/dbraw/zinc/55/39/30/561553930.db2.gz CJQSUNHMXIPRFK-SFHVURJKSA-N 1 3 364.921 2.016 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3COc4ccccc43)CC2)CC1 ZINC000288745848 552205289 /nfs/dbraw/zinc/20/52/89/552205289.db2.gz XSKXWQTTWMJELR-MRXNPFEDSA-N 1 3 372.513 2.020 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000500392133 561571335 /nfs/dbraw/zinc/57/13/35/561571335.db2.gz VIQPZJHZSQWNBO-SFHVURJKSA-N 1 3 374.533 2.309 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000500392133 561571336 /nfs/dbraw/zinc/57/13/36/561571336.db2.gz VIQPZJHZSQWNBO-SFHVURJKSA-N 1 3 374.533 2.309 20 0 FEADHO CC(C)n1cc(CNCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)nn1 ZINC000289618625 552350549 /nfs/dbraw/zinc/35/05/49/552350549.db2.gz FLJXMJGBHAJYNK-FQEVSTJZSA-N 1 3 356.518 2.327 20 0 FEADHO CC(C)n1cc(CNCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)nn1 ZINC000289618625 552350551 /nfs/dbraw/zinc/35/05/51/552350551.db2.gz FLJXMJGBHAJYNK-FQEVSTJZSA-N 1 3 356.518 2.327 20 0 FEADHO Cc1cnn([C@H]2CCN(C/C=C/C[N@@H+]3CC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000289709682 552365778 /nfs/dbraw/zinc/36/57/78/552365778.db2.gz CGKPAFNYOHJNSK-LOKQZNEXSA-N 1 3 354.502 2.446 20 0 FEADHO Cc1cnn([C@H]2CCN(C/C=C/C[N@H+]3CC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000289709682 552365781 /nfs/dbraw/zinc/36/57/81/552365781.db2.gz CGKPAFNYOHJNSK-LOKQZNEXSA-N 1 3 354.502 2.446 20 0 FEADHO CC[N@@H+]1CC[C@H](NC[C@](C)(O)Cc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000290265332 552451105 /nfs/dbraw/zinc/45/11/05/552451105.db2.gz VQOBQDARQIJQEZ-OXFYSEKESA-N 1 3 350.503 2.317 20 0 FEADHO CC[N@H+]1CC[C@H](NC[C@](C)(O)Cc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000290265332 552451107 /nfs/dbraw/zinc/45/11/07/552451107.db2.gz VQOBQDARQIJQEZ-OXFYSEKESA-N 1 3 350.503 2.317 20 0 FEADHO CC[NH+]1CCC(CCN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000290668573 552516797 /nfs/dbraw/zinc/51/67/97/552516797.db2.gz LCLNJIDRTWEFEO-LJQANCHMSA-N 1 3 365.543 2.423 20 0 FEADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc2c(c1)OCO2 ZINC000292331826 552716665 /nfs/dbraw/zinc/71/66/65/552716665.db2.gz RZVFNFRBYUMPEY-HNNXBMFYSA-N 1 3 373.497 2.194 20 0 FEADHO COC(=O)c1cc([C@H](C)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)oc1C ZINC000292782623 552758226 /nfs/dbraw/zinc/75/82/26/552758226.db2.gz ZEOYDVYRJPELLW-KGLIPLIRSA-N 1 3 352.475 2.460 20 0 FEADHO C[C@H](NC1CC1)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000294916288 552943760 /nfs/dbraw/zinc/94/37/60/552943760.db2.gz CKPFOKRFWJXRDI-KRWDZBQOSA-N 1 3 359.514 2.314 20 0 FEADHO C[C@H](NC1CC1)C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000295794472 553060013 /nfs/dbraw/zinc/06/00/13/553060013.db2.gz SGJPLIAYQJMXTQ-JXFKEZNVSA-N 1 3 359.514 2.031 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)N3CCN(C)CC[C@H]3C)CCCC2)CC1 ZINC000502751169 561624555 /nfs/dbraw/zinc/62/45/55/561624555.db2.gz ZMGRFQZGZDTYGK-QGZVFWFLSA-N 1 3 366.550 2.146 20 0 FEADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000503198835 561636469 /nfs/dbraw/zinc/63/64/69/561636469.db2.gz ODNSLYVDYSORPH-FGTMMUONSA-N 1 3 359.580 2.148 20 0 FEADHO CS(=O)(=O)Nc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298559011 553440566 /nfs/dbraw/zinc/44/05/66/553440566.db2.gz VSWVAVCXNBJNCJ-UHFFFAOYSA-N 1 3 360.483 2.212 20 0 FEADHO CCN1CCC(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000298586669 553444938 /nfs/dbraw/zinc/44/49/38/553444938.db2.gz QGMJZPDLFOVFQQ-UHFFFAOYSA-N 1 3 358.530 2.477 20 0 FEADHO CN1CCCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000299448898 553564801 /nfs/dbraw/zinc/56/48/01/553564801.db2.gz OGKSRYQIUOMQGS-MRXNPFEDSA-N 1 3 350.532 2.307 20 0 FEADHO CN1CCCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000299448898 553564804 /nfs/dbraw/zinc/56/48/04/553564804.db2.gz OGKSRYQIUOMQGS-MRXNPFEDSA-N 1 3 350.532 2.307 20 0 FEADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCC[C@@H]3CNS(C)(=O)=O)CC2)C1 ZINC000504569198 561659802 /nfs/dbraw/zinc/65/98/02/561659802.db2.gz WYPLXCOCHXASPV-FPAYPSAMSA-N 1 3 371.591 2.337 20 0 FEADHO CN(CCNC(=O)N(CC[NH+](C)C)Cc1ccccn1)Cc1ccccc1 ZINC000504399183 561657584 /nfs/dbraw/zinc/65/75/84/561657584.db2.gz NVYHGUPAYKRXCM-UHFFFAOYSA-N 1 3 369.513 2.287 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)cc2)CC1 ZINC000505532018 561673433 /nfs/dbraw/zinc/67/34/33/561673433.db2.gz AXWJISAIJRNGQE-JOCHJYFZSA-N 1 3 370.541 2.386 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)cc2)CC1 ZINC000505532018 561673434 /nfs/dbraw/zinc/67/34/34/561673434.db2.gz AXWJISAIJRNGQE-JOCHJYFZSA-N 1 3 370.541 2.386 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc2c(c1)CCO2 ZINC000505754543 561679405 /nfs/dbraw/zinc/67/94/05/561679405.db2.gz KEPYSSQQEQNYJY-IBGZPJMESA-N 1 3 359.514 2.039 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc2c(c1)CCO2 ZINC000505754543 561679406 /nfs/dbraw/zinc/67/94/06/561679406.db2.gz KEPYSSQQEQNYJY-IBGZPJMESA-N 1 3 359.514 2.039 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1nc(C)c(Cl)c1C ZINC000505804027 561681397 /nfs/dbraw/zinc/68/13/97/561681397.db2.gz YOKZAOYDRJBRST-INIZCTEOSA-N 1 3 369.941 2.028 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1nc(C)c(Cl)c1C ZINC000505804027 561681398 /nfs/dbraw/zinc/68/13/98/561681398.db2.gz YOKZAOYDRJBRST-INIZCTEOSA-N 1 3 369.941 2.028 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1cccc(F)c1 ZINC000505838394 561682383 /nfs/dbraw/zinc/68/23/83/561682383.db2.gz KPHCQJWNPFZALG-KRWDZBQOSA-N 1 3 351.466 2.079 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1cccc(F)c1 ZINC000505838394 561682385 /nfs/dbraw/zinc/68/23/85/561682385.db2.gz KPHCQJWNPFZALG-KRWDZBQOSA-N 1 3 351.466 2.079 20 0 FEADHO CCC[C@@H]1C[C@H](C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)CCO1 ZINC000506176852 561692413 /nfs/dbraw/zinc/69/24/13/561692413.db2.gz YTGZLDGILYLUTP-GUDVDZBRSA-N 1 3 353.551 2.456 20 0 FEADHO CCC[C@@H]1C[C@H](C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)CCO1 ZINC000506176852 561692414 /nfs/dbraw/zinc/69/24/14/561692414.db2.gz YTGZLDGILYLUTP-GUDVDZBRSA-N 1 3 353.551 2.456 20 0 FEADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507270524 561723298 /nfs/dbraw/zinc/72/32/98/561723298.db2.gz RFYSQEHVTWKNIX-HXUWFJFHSA-N 1 3 373.541 2.372 20 0 FEADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507270524 561723299 /nfs/dbraw/zinc/72/32/99/561723299.db2.gz RFYSQEHVTWKNIX-HXUWFJFHSA-N 1 3 373.541 2.372 20 0 FEADHO C[C@@H]1C[C@H](Nc2ncc(Cl)c(N[C@@H]3CC[N@H+](C)[C@H](C)C3)n2)CCN1C ZINC000330196372 554083128 /nfs/dbraw/zinc/08/31/28/554083128.db2.gz QCYOZULKCKTGEN-KBUPBQIOSA-N 1 3 366.941 2.919 20 0 FEADHO C[C@@H]1C[C@H](Nc2ncc(Cl)c(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)n2)CCN1C ZINC000330196372 554083130 /nfs/dbraw/zinc/08/31/30/554083130.db2.gz QCYOZULKCKTGEN-KBUPBQIOSA-N 1 3 366.941 2.919 20 0 FEADHO C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331195683 554228712 /nfs/dbraw/zinc/22/87/12/554228712.db2.gz NKJVVRIRYVYZCJ-HOTGVXAUSA-N 1 3 353.532 2.147 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCCC[C@@H]3CN)CC2)cc1 ZINC000333173415 554583591 /nfs/dbraw/zinc/58/35/91/554583591.db2.gz QHRXLCHRSRIWML-APWZRJJASA-N 1 3 365.543 2.255 20 0 FEADHO C[C@@H]([NH3+])C1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000333933757 554657754 /nfs/dbraw/zinc/65/77/54/554657754.db2.gz HZTCKZBCRPSEOR-OAHLLOKOSA-N 1 3 354.564 2.117 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCC3(N4CCSCC4)CCCC3)C[C@@H]21 ZINC000333937191 554658594 /nfs/dbraw/zinc/65/85/94/554658594.db2.gz LICZSSIHAYJROK-IXDOHACOSA-N 1 3 366.575 2.117 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc3c(c2)oc(=O)n3C)[C@@H](C)C1 ZINC000510982305 561853239 /nfs/dbraw/zinc/85/32/39/561853239.db2.gz KUQBLJVUSBVBRW-DOTOQJQBSA-N 1 3 361.486 2.358 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)CC1 ZINC000511762216 561880032 /nfs/dbraw/zinc/88/00/32/561880032.db2.gz KUJCBPISNVGPEA-HKBOAZHASA-N 1 3 371.525 2.091 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000363273050 555069074 /nfs/dbraw/zinc/06/90/74/555069074.db2.gz NSEIZYIHQWCWTD-GOSISDBHSA-N 1 3 361.534 2.363 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000363273050 555069077 /nfs/dbraw/zinc/06/90/77/555069077.db2.gz NSEIZYIHQWCWTD-GOSISDBHSA-N 1 3 361.534 2.363 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C)N(C)C)cc1 ZINC000512427744 561904457 /nfs/dbraw/zinc/90/44/57/561904457.db2.gz WVHRHTSBKWAXGP-MAUKXSAKSA-N 1 3 350.507 2.326 20 0 FEADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000365163388 555499045 /nfs/dbraw/zinc/49/90/45/555499045.db2.gz TXELLCNFWFTXMC-OALUTQOASA-N 1 3 367.497 2.154 20 0 FEADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365279132 555530900 /nfs/dbraw/zinc/53/09/00/555530900.db2.gz NMMBWENGWQNTMU-MSOLQXFVSA-N 1 3 361.534 2.219 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000365279132 555530901 /nfs/dbraw/zinc/53/09/01/555530901.db2.gz NMMBWENGWQNTMU-MSOLQXFVSA-N 1 3 361.534 2.219 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000365279132 555530902 /nfs/dbraw/zinc/53/09/02/555530902.db2.gz NMMBWENGWQNTMU-MSOLQXFVSA-N 1 3 361.534 2.219 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CC(C(F)(F)F)C1 ZINC000513363015 561935457 /nfs/dbraw/zinc/93/54/57/561935457.db2.gz GLMKPPHTODAKEM-YMAMQOFZSA-N 1 3 364.456 2.385 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CC(C(F)(F)F)C1 ZINC000513363015 561935458 /nfs/dbraw/zinc/93/54/58/561935458.db2.gz GLMKPPHTODAKEM-YMAMQOFZSA-N 1 3 364.456 2.385 20 0 FEADHO CN1CCN(C2(CNC(=O)CC3CC[NH+](C)CC3)CCCCCC2)CC1 ZINC000365852920 555683785 /nfs/dbraw/zinc/68/37/85/555683785.db2.gz CXTXVGJVTGHQCA-UHFFFAOYSA-N 1 3 364.578 2.175 20 0 FEADHO [NH3+]CCc1nc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cs1 ZINC000366416053 555837496 /nfs/dbraw/zinc/83/74/96/555837496.db2.gz DORCBBNBFTWFOA-MRXNPFEDSA-N 1 3 358.511 2.286 20 0 FEADHO CC[NH+](CC)CCCN1CCC(OCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000514142696 561961801 /nfs/dbraw/zinc/96/18/01/561961801.db2.gz VLRCHPDNNIYEPM-OALUTQOASA-N 1 3 355.567 2.309 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000367021026 555999059 /nfs/dbraw/zinc/99/90/59/555999059.db2.gz PESQNKCZPFGPAJ-WIYYLYMNSA-N 1 3 353.514 2.330 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000367021026 555999061 /nfs/dbraw/zinc/99/90/61/555999061.db2.gz PESQNKCZPFGPAJ-WIYYLYMNSA-N 1 3 353.514 2.330 20 0 FEADHO C[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367021026 555999063 /nfs/dbraw/zinc/99/90/63/555999063.db2.gz PESQNKCZPFGPAJ-WIYYLYMNSA-N 1 3 353.514 2.330 20 0 FEADHO COC(=O)c1csc([C@@H](C)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367614124 556097748 /nfs/dbraw/zinc/09/77/48/556097748.db2.gz HGBBPHYOZBNVSE-HIFRSBDPSA-N 1 3 351.516 2.354 20 0 FEADHO C[C@H]1CN(C[C@@H](O)Cc2cccc(Cl)c2)CCN1C1CC[NH+](C)CC1 ZINC000367861365 556157650 /nfs/dbraw/zinc/15/76/50/556157650.db2.gz AIHOSJQWOGKAFX-JXFKEZNVSA-N 1 3 365.949 2.344 20 0 FEADHO C[N@H+](CC1CCN(c2ccncc2)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000367903263 556168452 /nfs/dbraw/zinc/16/84/52/556168452.db2.gz JVITZTGRELBXLS-MRXNPFEDSA-N 1 3 370.419 2.393 20 0 FEADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000367903263 556168453 /nfs/dbraw/zinc/16/84/53/556168453.db2.gz JVITZTGRELBXLS-MRXNPFEDSA-N 1 3 370.419 2.393 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@@H](C)O1 ZINC000368290426 556270036 /nfs/dbraw/zinc/27/00/36/556270036.db2.gz NJFYSTPUYAVCMG-GPMSIDNRSA-N 1 3 357.514 2.205 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H](C)O1 ZINC000368290426 556270037 /nfs/dbraw/zinc/27/00/37/556270037.db2.gz NJFYSTPUYAVCMG-GPMSIDNRSA-N 1 3 357.514 2.205 20 0 FEADHO CN1CCN(CCCC[NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000515283201 562003365 /nfs/dbraw/zinc/00/33/65/562003365.db2.gz LHSUSUBESSIPHM-UHFFFAOYSA-N 1 3 352.910 2.286 20 0 FEADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000369028231 556481178 /nfs/dbraw/zinc/48/11/78/556481178.db2.gz PIJMMSOBWKPLAR-VQTJNVASSA-N 1 3 374.529 2.189 20 0 FEADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000369028231 556481181 /nfs/dbraw/zinc/48/11/81/556481181.db2.gz PIJMMSOBWKPLAR-VQTJNVASSA-N 1 3 374.529 2.189 20 0 FEADHO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000515832490 562023191 /nfs/dbraw/zinc/02/31/91/562023191.db2.gz XXGLQIWXXXLICC-MJGOQNOKSA-N 1 3 363.502 2.095 20 0 FEADHO C[C@H](CNC(=O)N1CCCN(C2CCOCC2)CC1)C[NH+]1CCCCC1 ZINC000369528971 556621249 /nfs/dbraw/zinc/62/12/49/556621249.db2.gz AALGMKUYKKQXJO-GOSISDBHSA-N 1 3 366.550 2.005 20 0 FEADHO CCC[NH+](CCC)CCCNC(=O)N=c1ccn(C2CCN(C)CC2)[nH]1 ZINC000369684311 556667767 /nfs/dbraw/zinc/66/77/67/556667767.db2.gz UEIFUGNYSUZPFL-UHFFFAOYSA-N 1 3 364.538 2.783 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000369869688 556717851 /nfs/dbraw/zinc/71/78/51/556717851.db2.gz BERZSZBXJSVAKW-INIZCTEOSA-N 1 3 350.532 2.496 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000369869688 556717853 /nfs/dbraw/zinc/71/78/53/556717853.db2.gz BERZSZBXJSVAKW-INIZCTEOSA-N 1 3 350.532 2.496 20 0 FEADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 ZINC000369881699 556720475 /nfs/dbraw/zinc/72/04/75/556720475.db2.gz DIGLEEJPKQYKGJ-ICSRJNTNSA-N 1 3 373.545 2.494 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CNCCC1(F)F ZINC000516634541 562052062 /nfs/dbraw/zinc/05/20/62/562052062.db2.gz NMZUEBQEPZFUDR-DJIMGWMZSA-N 1 3 366.456 2.193 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CNCCC1(F)F ZINC000516634541 562052063 /nfs/dbraw/zinc/05/20/63/562052063.db2.gz NMZUEBQEPZFUDR-DJIMGWMZSA-N 1 3 366.456 2.193 20 0 FEADHO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000370212500 556812183 /nfs/dbraw/zinc/81/21/83/556812183.db2.gz KZVKQISMFOMFLA-WOJBJXKFSA-N 1 3 359.514 2.186 20 0 FEADHO CC(C)[C@@H](C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1)[NH+]1CCCCC1 ZINC000370420917 556868235 /nfs/dbraw/zinc/86/82/35/556868235.db2.gz BPARPOBNSDZMPG-PMACEKPBSA-N 1 3 364.578 2.124 20 0 FEADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(-n2cncn2)cc1 ZINC000370635068 556926704 /nfs/dbraw/zinc/92/67/04/556926704.db2.gz NWZSKSOQWSIRQB-SJLPKXTDSA-N 1 3 354.502 2.086 20 0 FEADHO CCNC(=O)c1ccc(CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000370670091 556935324 /nfs/dbraw/zinc/93/53/24/556935324.db2.gz WGKXJUXDSKGIDX-LSTHTHJFSA-N 1 3 359.514 2.415 20 0 FEADHO CCNC(=O)c1ccc(CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000370670091 556935325 /nfs/dbraw/zinc/93/53/25/556935325.db2.gz WGKXJUXDSKGIDX-LSTHTHJFSA-N 1 3 359.514 2.415 20 0 FEADHO COCC[C@@]1(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)CC[NH2+]C1 ZINC000371271708 557126187 /nfs/dbraw/zinc/12/61/87/557126187.db2.gz UVISSIBJYOAVIY-SFHVURJKSA-N 1 3 369.893 2.235 20 0 FEADHO C[C@H]1CN(CCC(=O)NCC2CCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371303388 557138328 /nfs/dbraw/zinc/13/83/28/557138328.db2.gz OIEQIXPZEDJLIP-AZUAARDMSA-N 1 3 364.578 2.031 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000517384789 562088159 /nfs/dbraw/zinc/08/81/59/562088159.db2.gz LACSKZVGLSYFQV-GOSISDBHSA-N 1 3 366.550 2.049 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000517418805 562089801 /nfs/dbraw/zinc/08/98/01/562089801.db2.gz NUJMQIUHPUQVNG-UXHICEINSA-N 1 3 358.530 2.429 20 0 FEADHO O[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)COCc1ccccc1 ZINC000518169381 562105464 /nfs/dbraw/zinc/10/54/64/562105464.db2.gz VIODQLOLJWZRCY-OAQYLSRUSA-N 1 3 355.482 2.465 20 0 FEADHO C[C@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)N1CCC(C)CC1 ZINC000517890292 562100085 /nfs/dbraw/zinc/10/00/85/562100085.db2.gz JWEHQFZKFITSIA-GOSISDBHSA-N 1 3 366.550 2.051 20 0 FEADHO CSC1(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCN(C)CC1 ZINC000518998020 562123029 /nfs/dbraw/zinc/12/30/29/562123029.db2.gz CWCQNDGQSLKKEF-INIZCTEOSA-N 1 3 371.616 2.148 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000519358898 562129958 /nfs/dbraw/zinc/12/99/58/562129958.db2.gz PANFYRMQISUWFY-APWZRJJASA-N 1 3 374.529 2.347 20 0 FEADHO OC1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)Cc2ccccc2C1 ZINC000519537744 562133996 /nfs/dbraw/zinc/13/39/96/562133996.db2.gz DGFWYFHIVXJSMC-UGKGYDQZSA-N 1 3 350.462 2.362 20 0 FEADHO CN(C(=O)C[C@H]1CCCC[C@H]1[NH3+])C1CCN(CCc2ccccn2)CC1 ZINC000519613841 562137201 /nfs/dbraw/zinc/13/72/01/562137201.db2.gz YSQUIRJNXKCMSA-YLJYHZDGSA-N 1 3 358.530 2.455 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3[C@@H]4CC[C@H]3C[C@@H]([NH3+])C4)cc2)CC1 ZINC000373434067 557692520 /nfs/dbraw/zinc/69/25/20/557692520.db2.gz DUUXFNKHKHHNFN-FNLKRUPLSA-N 1 3 356.514 2.311 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000373438540 557693500 /nfs/dbraw/zinc/69/35/00/557693500.db2.gz FSSZXKDLNYIIHU-POAQFYNOSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373438540 557693502 /nfs/dbraw/zinc/69/35/02/557693502.db2.gz FSSZXKDLNYIIHU-POAQFYNOSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000520426823 562156290 /nfs/dbraw/zinc/15/62/90/562156290.db2.gz RVUZTSIBCMFLAQ-KRWDZBQOSA-N 1 3 369.513 2.400 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N(C)C3CC[NH2+]CC3)c(C)c2)CC1 ZINC000521212836 562171814 /nfs/dbraw/zinc/17/18/14/562171814.db2.gz ZKFDZXWSPUPHKV-UHFFFAOYSA-N 1 3 359.518 2.353 20 0 FEADHO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000521253306 562173064 /nfs/dbraw/zinc/17/30/64/562173064.db2.gz XPKRUMVVOHKSLD-NQIIRXRSSA-N 1 3 370.541 2.188 20 0 FEADHO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000375448976 558029354 /nfs/dbraw/zinc/02/93/54/558029354.db2.gz NNKGYDVJFKUWEI-OJAHFUOMSA-N 1 3 359.514 2.343 20 0 FEADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000375493817 558037371 /nfs/dbraw/zinc/03/73/71/558037371.db2.gz JJZBYNUFKLMITM-CEXWTWQISA-N 1 3 368.566 2.249 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC(=O)N3C)CC[C@H]1N1CCN(C)CC1 ZINC000376322981 558157729 /nfs/dbraw/zinc/15/77/29/558157729.db2.gz FYRHDHARLZDTHR-YLJYHZDGSA-N 1 3 370.541 2.053 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC(=O)N3C)CC[C@H]1N1CCN(C)CC1 ZINC000376322981 558157730 /nfs/dbraw/zinc/15/77/30/558157730.db2.gz FYRHDHARLZDTHR-YLJYHZDGSA-N 1 3 370.541 2.053 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000376652612 558203435 /nfs/dbraw/zinc/20/34/35/558203435.db2.gz KCYBHDMSJNBQGJ-IEBWSBKVSA-N 1 3 366.550 2.144 20 0 FEADHO COCC[C@@]1(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC[NH2+]C1 ZINC000376693592 558209565 /nfs/dbraw/zinc/20/95/65/558209565.db2.gz ASKMEJAJQJXZEZ-CTNGQTDRSA-N 1 3 359.514 2.264 20 0 FEADHO CC1(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC[NH+](Cc2ccccc2)CC1 ZINC000376942010 558242536 /nfs/dbraw/zinc/24/25/36/558242536.db2.gz WWRXSSJDLBIIRF-VQTJNVASSA-N 1 3 371.525 2.268 20 0 FEADHO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000377412190 558335616 /nfs/dbraw/zinc/33/56/16/558335616.db2.gz MYULLQYRQOMNMJ-LEAZDLGRSA-N 1 3 359.514 2.122 20 0 FEADHO C[C@H](NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377412190 558335619 /nfs/dbraw/zinc/33/56/19/558335619.db2.gz MYULLQYRQOMNMJ-LEAZDLGRSA-N 1 3 359.514 2.122 20 0 FEADHO C[C@H](NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377412190 558335622 /nfs/dbraw/zinc/33/56/22/558335622.db2.gz MYULLQYRQOMNMJ-LEAZDLGRSA-N 1 3 359.514 2.122 20 0 FEADHO CCN1CCN([C@@H](C)CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000377652004 558387345 /nfs/dbraw/zinc/38/73/45/558387345.db2.gz VHMGLFDISAIYPT-IBGZPJMESA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)cc2)CC1 ZINC000377812206 558424968 /nfs/dbraw/zinc/42/49/68/558424968.db2.gz UGJXJWDTIJTEKU-FQEVSTJZSA-N 1 3 370.541 2.290 20 0 FEADHO CCN(CC)[C@H](CNC(=O)[C@@]1(CCOC)CC[NH2+]C1)c1ccsc1 ZINC000378208540 558503029 /nfs/dbraw/zinc/50/30/29/558503029.db2.gz HLGHCTPSSPPUHO-SJLPKXTDSA-N 1 3 353.532 2.263 20 0 FEADHO COc1ccc(OCCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000378320489 558529062 /nfs/dbraw/zinc/52/90/62/558529062.db2.gz PSKCBQSQVFQMFN-NQIIRXRSSA-N 1 3 361.530 2.422 20 0 FEADHO CCOC(=O)CC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390159993 558610707 /nfs/dbraw/zinc/61/07/07/558610707.db2.gz NTIUEMJSVQQPQW-RAFMOHDBSA-N 1 3 360.498 2.476 20 0 FEADHO CCOC(=O)CC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390159993 558610708 /nfs/dbraw/zinc/61/07/08/558610708.db2.gz NTIUEMJSVQQPQW-RAFMOHDBSA-N 1 3 360.498 2.476 20 0 FEADHO [NH3+][C@@H](CC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390891920 558613419 /nfs/dbraw/zinc/61/34/19/558613419.db2.gz LLCZBIBCZMCEOE-SFTDATJTSA-N 1 3 367.493 2.484 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)ccc1CN(C)C ZINC000411181438 558849573 /nfs/dbraw/zinc/84/95/73/558849573.db2.gz OUYNPTGATSZYQD-LJQANCHMSA-N 1 3 374.529 2.232 20 0 FEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)C1 ZINC000411270858 558865225 /nfs/dbraw/zinc/86/52/25/558865225.db2.gz QFIMRBLJBIPHHW-KRWDZBQOSA-N 1 3 374.529 2.185 20 0 FEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)C1 ZINC000411270858 558865227 /nfs/dbraw/zinc/86/52/27/558865227.db2.gz QFIMRBLJBIPHHW-KRWDZBQOSA-N 1 3 374.529 2.185 20 0 FEADHO CN(C)[C@@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000525383381 562246970 /nfs/dbraw/zinc/24/69/70/562246970.db2.gz INEQJELRRXMTRT-UNMCSNQZSA-N 1 3 367.493 2.043 20 0 FEADHO CN(C)[C@@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000525383381 562246971 /nfs/dbraw/zinc/24/69/71/562246971.db2.gz INEQJELRRXMTRT-UNMCSNQZSA-N 1 3 367.493 2.043 20 0 FEADHO Cc1cc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1CN(C)C ZINC000411337871 558879751 /nfs/dbraw/zinc/87/97/51/558879751.db2.gz VZGZCJAWHYGQPT-LJQANCHMSA-N 1 3 374.529 2.328 20 0 FEADHO Cc1cc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)ccc1CN(C)C ZINC000411337871 558879753 /nfs/dbraw/zinc/87/97/53/558879753.db2.gz VZGZCJAWHYGQPT-LJQANCHMSA-N 1 3 374.529 2.328 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000411695938 558946112 /nfs/dbraw/zinc/94/61/12/558946112.db2.gz PQPRXNIEXVVPPW-PZJWPPBQSA-N 1 3 358.530 2.010 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)N[C@@H]3CCN(C)[C@H](C)C3)CCCC2)CC1 ZINC000525812406 562255869 /nfs/dbraw/zinc/25/58/69/562255869.db2.gz DTFVMZCDFVYEPC-IAGOWNOFSA-N 1 3 366.550 2.192 20 0 FEADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000412778390 559055779 /nfs/dbraw/zinc/05/57/79/559055779.db2.gz JHDBPDORUUQIOP-LJQANCHMSA-N 1 3 361.530 2.296 20 0 FEADHO CC[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)N(C)C ZINC000413634975 559121652 /nfs/dbraw/zinc/12/16/52/559121652.db2.gz NMCYBXUEGULJAQ-QRVBRYPASA-N 1 3 352.567 2.122 20 0 FEADHO CC[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)N(C)C ZINC000413634975 559121653 /nfs/dbraw/zinc/12/16/53/559121653.db2.gz NMCYBXUEGULJAQ-QRVBRYPASA-N 1 3 352.567 2.122 20 0 FEADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000414179645 559151658 /nfs/dbraw/zinc/15/16/58/559151658.db2.gz LKLFVXAPFZCGMO-JKSUJKDBSA-N 1 3 353.532 2.319 20 0 FEADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000414179645 559151659 /nfs/dbraw/zinc/15/16/59/559151659.db2.gz LKLFVXAPFZCGMO-JKSUJKDBSA-N 1 3 353.532 2.319 20 0 FEADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000414188765 559152112 /nfs/dbraw/zinc/15/21/12/559152112.db2.gz JGSWIHQNDNFTBX-OAHLLOKOSA-N 1 3 353.457 2.412 20 0 FEADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414202196 559152757 /nfs/dbraw/zinc/15/27/57/559152757.db2.gz UGTAVCMPBWEAFR-OXJNMPFZSA-N 1 3 361.505 2.445 20 0 FEADHO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414202194 559152814 /nfs/dbraw/zinc/15/28/14/559152814.db2.gz UGTAVCMPBWEAFR-JXFKEZNVSA-N 1 3 361.505 2.445 20 0 FEADHO COC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CCOCC1 ZINC000414296339 559155353 /nfs/dbraw/zinc/15/53/53/559155353.db2.gz FANRWGBUIMZNLL-FQEVSTJZSA-N 1 3 362.514 2.045 20 0 FEADHO CN1CCC(C[NH2+]Cc2ccc(F)c(Cl)c2)(N2CCOCC2)CC1 ZINC000414478422 559167542 /nfs/dbraw/zinc/16/75/42/559167542.db2.gz FATBIXVCJUKCBY-UHFFFAOYSA-N 1 3 355.885 2.365 20 0 FEADHO CCOc1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1F ZINC000414489409 559168139 /nfs/dbraw/zinc/16/81/39/559168139.db2.gz VUPXUMVSBXTWSV-UHFFFAOYSA-N 1 3 365.493 2.111 20 0 FEADHO CN1CCC(C[NH2+]Cc2cccc(OC(F)F)c2)(N2CCOCC2)CC1 ZINC000414489475 559168201 /nfs/dbraw/zinc/16/82/01/559168201.db2.gz WFAGJTACBKUQHU-UHFFFAOYSA-N 1 3 369.456 2.174 20 0 FEADHO C[N@@H+](Cc1ccc(Br)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414684581 559179482 /nfs/dbraw/zinc/17/94/82/559179482.db2.gz WBEQCHPOBKISSK-AWEZNQCLSA-N 1 3 354.292 2.078 20 0 FEADHO C[N@H+](Cc1ccc(Br)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414684581 559179483 /nfs/dbraw/zinc/17/94/83/559179483.db2.gz WBEQCHPOBKISSK-AWEZNQCLSA-N 1 3 354.292 2.078 20 0 FEADHO CCC[NH+]1CCN(c2ccccc2CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)CC1 ZINC000527053989 562274972 /nfs/dbraw/zinc/27/49/72/562274972.db2.gz XYORBDLPFWXUBB-CUWPLCDZSA-N 1 3 370.541 2.304 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)C1 ZINC000414734502 559183148 /nfs/dbraw/zinc/18/31/48/559183148.db2.gz FTMBWLVQPFKDNB-QGZVFWFLSA-N 1 3 365.468 2.417 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H](C[NH2+]C)C3)c(C)c2)CC1 ZINC000414753309 559184884 /nfs/dbraw/zinc/18/48/84/559184884.db2.gz QJPREYGJQOTNSU-QGZVFWFLSA-N 1 3 359.518 2.210 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)C1 ZINC000414760344 559185840 /nfs/dbraw/zinc/18/58/40/559185840.db2.gz YGVBBBJARZFSCU-LSDHHAIUSA-N 1 3 374.460 2.344 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)C1 ZINC000414760344 559185841 /nfs/dbraw/zinc/18/58/41/559185841.db2.gz YGVBBBJARZFSCU-LSDHHAIUSA-N 1 3 374.460 2.344 20 0 FEADHO [NH3+]C[C@@H]1CN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC12CCOCC2 ZINC000414793342 559187921 /nfs/dbraw/zinc/18/79/21/559187921.db2.gz TWONOCBWENGLBI-QUCCMNQESA-N 1 3 360.498 2.432 20 0 FEADHO CCC([NH3+])(CC)CNC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000414809748 559189113 /nfs/dbraw/zinc/18/91/13/559189113.db2.gz MYVUQCJJIYWBGD-UHFFFAOYSA-N 1 3 353.532 2.255 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCNCC2(F)F)CC1 ZINC000414994349 559199471 /nfs/dbraw/zinc/19/94/71/559199471.db2.gz DDEHAQWTTLSTQW-QGZVFWFLSA-N 1 3 352.473 2.163 20 0 FEADHO C[C@H]1CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC[C@@H]1[NH3+] ZINC000415067962 559203563 /nfs/dbraw/zinc/20/35/63/559203563.db2.gz LUXZOBMLMMMGHI-YJBOKZPZSA-N 1 3 362.543 2.479 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H]1CCCCNC1 ZINC000415065968 559203568 /nfs/dbraw/zinc/20/35/68/559203568.db2.gz IBSVDKJFHBPSBX-RDTXWAMCSA-N 1 3 358.486 2.484 20 0 FEADHO COc1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc(OC)c1O ZINC000415107769 559205470 /nfs/dbraw/zinc/20/54/70/559205470.db2.gz LPBYOZQCUPKLND-BEFAXECRSA-N 1 3 350.459 2.128 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH2+]Cc2nc(-c3ccccc3F)cs2)C1 ZINC000415107372 559205560 /nfs/dbraw/zinc/20/55/60/559205560.db2.gz OQMIRHJITWZCPT-ZDUSSCGKSA-N 1 3 362.474 2.236 20 0 FEADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000415115324 559205979 /nfs/dbraw/zinc/20/59/79/559205979.db2.gz ULCBTUOZCQSYFX-MAUKXSAKSA-N 1 3 358.486 2.122 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000415115321 559206069 /nfs/dbraw/zinc/20/60/69/559206069.db2.gz ULCBTUOZCQSYFX-CRAIPNDOSA-N 1 3 358.486 2.122 20 0 FEADHO Cc1cc(C)c(CN2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1C ZINC000415134017 559207363 /nfs/dbraw/zinc/20/73/63/559207363.db2.gz DGCLPDPMZXRFGD-PMACEKPBSA-N 1 3 356.514 2.332 20 0 FEADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415172269 559211740 /nfs/dbraw/zinc/21/17/40/559211740.db2.gz SMQDMZNDNAWYHI-VQIMIIECSA-N 1 3 372.513 2.245 20 0 FEADHO C[C@@H](CN)N(C)C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000415413212 559233042 /nfs/dbraw/zinc/23/30/42/559233042.db2.gz DDCFOPAJEMYMJT-HNNXBMFYSA-N 1 3 360.502 2.195 20 0 FEADHO C[C@@H](CN)N(C)C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000415413212 559233043 /nfs/dbraw/zinc/23/30/43/559233043.db2.gz DDCFOPAJEMYMJT-HNNXBMFYSA-N 1 3 360.502 2.195 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000415449247 559238246 /nfs/dbraw/zinc/23/82/46/559238246.db2.gz QYKZSVZKXIRZMT-WBVHZDCISA-N 1 3 360.502 2.053 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000415720694 559265114 /nfs/dbraw/zinc/26/51/14/559265114.db2.gz INABSKPMIWYZJK-OAQYLSRUSA-N 1 3 372.513 2.069 20 0 FEADHO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415791054 559271547 /nfs/dbraw/zinc/27/15/47/559271547.db2.gz SAQYCYVXUYEJCW-INIZCTEOSA-N 1 3 360.502 2.245 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000415928451 559283167 /nfs/dbraw/zinc/28/31/67/559283167.db2.gz FKTGYMYVWNQPIN-QGZVFWFLSA-N 1 3 373.545 2.428 20 0 FEADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415958933 559285055 /nfs/dbraw/zinc/28/50/55/559285055.db2.gz OILDOCBUEQFBBW-OAQYLSRUSA-N 1 3 368.481 2.246 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)N1CCN(CC2CCCCC2)CC1)C(F)(F)F ZINC000415997780 559288175 /nfs/dbraw/zinc/28/81/75/559288175.db2.gz SGNGJSQOZYRNBV-CQSZACIVSA-N 1 3 350.429 2.174 20 0 FEADHO CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000416008081 559288849 /nfs/dbraw/zinc/28/88/49/559288849.db2.gz NKSFMXDETAQRIL-CABCVRRESA-N 1 3 358.408 2.182 20 0 FEADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000416789114 559332784 /nfs/dbraw/zinc/33/27/84/559332784.db2.gz RLDURSFBZZCCLS-ZCNNSNEGSA-N 1 3 356.514 2.465 20 0 FEADHO CO[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)[C@@H](C[NH3+])C1 ZINC000416849968 559335175 /nfs/dbraw/zinc/33/51/75/559335175.db2.gz YXCKZHSDOKNRAQ-BZUAXINKSA-N 1 3 366.531 2.033 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1cccc(OC)c1 ZINC000416919946 559338360 /nfs/dbraw/zinc/33/83/60/559338360.db2.gz KLEVGLJACLJALQ-DFQSSKMNSA-N 1 3 374.529 2.472 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N2C[C@@H](C)NC[C@H]2C)cc1 ZINC000416989324 559342264 /nfs/dbraw/zinc/34/22/64/559342264.db2.gz MEQRJNIOIUMEGF-IAGOWNOFSA-N 1 3 362.518 2.299 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000416991714 559342497 /nfs/dbraw/zinc/34/24/97/559342497.db2.gz ORIXPQVMWZZSJZ-SJORKVTESA-N 1 3 362.518 2.299 20 0 FEADHO CN(C(=O)NCC1(N2CCSCC2)CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417105129 559347889 /nfs/dbraw/zinc/34/78/89/559347889.db2.gz GCELNHPVIZGNKO-SJPCQFCGSA-N 1 3 366.575 2.272 20 0 FEADHO [NH3+]CCCOC1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000417114229 559348411 /nfs/dbraw/zinc/34/84/11/559348411.db2.gz NTODCYYFQQIAEO-IBGZPJMESA-N 1 3 374.529 2.190 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000417218417 559353641 /nfs/dbraw/zinc/35/36/41/559353641.db2.gz GQZIQLGNDKOQPY-IEBWSBKVSA-N 1 3 374.529 2.361 20 0 FEADHO COCCN1CCC(NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000417297529 559356548 /nfs/dbraw/zinc/35/65/48/559356548.db2.gz OJWBBPOOGPRXCE-FQEVSTJZSA-N 1 3 370.497 2.250 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417374954 559359761 /nfs/dbraw/zinc/35/97/61/559359761.db2.gz ZTJGVAYTTSMEGE-HKUYNNGSSA-N 1 3 374.529 2.158 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417380571 559360103 /nfs/dbraw/zinc/36/01/03/559360103.db2.gz KRBYTHGMQDYZHZ-DLBZAZTESA-N 1 3 362.543 2.211 20 0 FEADHO COCCCN1CCC(NC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000417439011 559362372 /nfs/dbraw/zinc/36/23/72/559362372.db2.gz KNFRHXARHPYTNK-UHFFFAOYSA-N 1 3 354.539 2.099 20 0 FEADHO [NH3+]CC[C@H]1CCCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417587258 559368048 /nfs/dbraw/zinc/36/80/48/559368048.db2.gz CYRLRWODCWFOPB-LJQANCHMSA-N 1 3 374.529 2.432 20 0 FEADHO [NH3+]CCCOC1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000417653601 559370666 /nfs/dbraw/zinc/37/06/66/559370666.db2.gz RCFQHEQKUVKMKH-IBGZPJMESA-N 1 3 374.529 2.190 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](N)c2ccccc2)[C@H](C)C1 ZINC000417666698 559371470 /nfs/dbraw/zinc/37/14/70/559371470.db2.gz DTDGARFHTPDHSW-QRQLOZEOSA-N 1 3 362.518 2.123 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](N)c2ccccc2)[C@H](C)C1 ZINC000417666698 559371471 /nfs/dbraw/zinc/37/14/71/559371471.db2.gz DTDGARFHTPDHSW-QRQLOZEOSA-N 1 3 362.518 2.123 20 0 FEADHO CCC(CC)(CNC(=O)N1CCOC2(CNC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000417704794 559373301 /nfs/dbraw/zinc/37/33/01/559373301.db2.gz MVODLKZPJYXUHY-KRWDZBQOSA-N 1 3 374.529 2.280 20 0 FEADHO C[NH+](C)C1(CNC(=O)NC[C@H](N)c2ccccc2)Cc2ccccc2C1 ZINC000417737800 559374633 /nfs/dbraw/zinc/37/46/33/559374633.db2.gz OJQQBZWZDGFINC-IBGZPJMESA-N 1 3 352.482 2.085 20 0 FEADHO CN1CCC[C@H](CNC(=O)NCC[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000417749881 559375222 /nfs/dbraw/zinc/37/52/22/559375222.db2.gz VUHMUWLCDIMLQM-UKRRQHHQSA-N 1 3 358.408 2.346 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417829429 559378265 /nfs/dbraw/zinc/37/82/65/559378265.db2.gz RBCNLKCXVDOTTR-SLYNCCJLSA-N 1 3 356.514 2.292 20 0 FEADHO CO[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417837816 559378771 /nfs/dbraw/zinc/37/87/71/559378771.db2.gz MPQFGYUGGUXCRH-MTFMMBMASA-N 1 3 374.529 2.187 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1Cc1ccccc1 ZINC000417873529 559380224 /nfs/dbraw/zinc/38/02/24/559380224.db2.gz LVAOWLZUPQFTOB-RSPOEFSDSA-N 1 3 356.514 2.290 20 0 FEADHO CN1CC[C@H](NC(=O)NCCC[NH2+]Cc2cccnc2)[C@@H]1c1ccccc1 ZINC000417944715 559383012 /nfs/dbraw/zinc/38/30/12/559383012.db2.gz PWLOXUHDTKRQBR-PMACEKPBSA-N 1 3 367.497 2.306 20 0 FEADHO C[C@]1(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CCCN1Cc1ccccc1 ZINC000418044445 559387815 /nfs/dbraw/zinc/38/78/15/559387815.db2.gz MQPPYWNIRARMGQ-SVFBPWRDSA-N 1 3 356.514 2.292 20 0 FEADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000418143316 559391800 /nfs/dbraw/zinc/39/18/00/559391800.db2.gz LWKCQEVTYFHTTD-FPOVZHCZSA-N 1 3 356.514 2.292 20 0 FEADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)c1ccco1 ZINC000418167796 559392789 /nfs/dbraw/zinc/39/27/89/559392789.db2.gz NHZAFIXJSGKTRN-RDJZCZTQSA-N 1 3 366.506 2.248 20 0 FEADHO CCc1ccc([C@H](CNC(=O)N2CCOC3(CNC3)C2)[NH+](CC)CC)cc1 ZINC000418223445 559394457 /nfs/dbraw/zinc/39/44/57/559394457.db2.gz YWKGCKIGJLLBDH-IBGZPJMESA-N 1 3 374.529 2.016 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000418347756 559398517 /nfs/dbraw/zinc/39/85/17/559398517.db2.gz NSPHHZWKLQZASV-QGZVFWFLSA-N 1 3 362.518 2.158 20 0 FEADHO COCC1(CNC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC[NH2+]CC1 ZINC000418348938 559398709 /nfs/dbraw/zinc/39/87/09/559398709.db2.gz JKNDGTGWXDZNGR-SFHVURJKSA-N 1 3 362.518 2.125 20 0 FEADHO C[C@H](CC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418522962 559404716 /nfs/dbraw/zinc/40/47/16/559404716.db2.gz JSNHYBMHYOZQSL-CYBMUJFWSA-N 1 3 371.323 2.260 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000418561317 559406359 /nfs/dbraw/zinc/40/63/59/559406359.db2.gz ZBJPAXARHYSKTF-HXUWFJFHSA-N 1 3 368.481 2.401 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418564960 559406391 /nfs/dbraw/zinc/40/63/91/559406391.db2.gz KKCNVUCRVPSRRY-MAUKXSAKSA-N 1 3 366.456 2.146 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418601907 559407591 /nfs/dbraw/zinc/40/75/91/559407591.db2.gz MGXAZFABUCDZOG-UHFFFAOYSA-N 1 3 366.456 2.348 20 0 FEADHO COC[C@]1(CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000418655068 559409821 /nfs/dbraw/zinc/40/98/21/559409821.db2.gz MSXVCZHABIECLR-FUHWJXTLSA-N 1 3 368.909 2.011 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000418733622 559413018 /nfs/dbraw/zinc/41/30/18/559413018.db2.gz VFTFJTOYTKQGJM-FUHWJXTLSA-N 1 3 362.518 2.286 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418781374 559415755 /nfs/dbraw/zinc/41/57/55/559415755.db2.gz ZFUHCFJMSUOLTA-KRWDZBQOSA-N 1 3 350.482 2.431 20 0 FEADHO CN(C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418783105 559415969 /nfs/dbraw/zinc/41/59/69/559415969.db2.gz FDCAPLLEVVORJV-WTGUMLROSA-N 1 3 356.514 2.290 20 0 FEADHO CN(C)c1ncc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)n1C ZINC000419699530 559454780 /nfs/dbraw/zinc/45/47/80/559454780.db2.gz ARTKXHDYOVOHKZ-UHFFFAOYSA-N 1 3 357.502 2.249 20 0 FEADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN(CCCO)[C@H]1CCc2ccccc21 ZINC000420302089 559479421 /nfs/dbraw/zinc/47/94/21/559479421.db2.gz LZPRYODRAZOXFY-FKBYEOEOSA-N 1 3 354.494 2.289 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000420302089 559479422 /nfs/dbraw/zinc/47/94/22/559479422.db2.gz LZPRYODRAZOXFY-FKBYEOEOSA-N 1 3 354.494 2.289 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000420302089 559479423 /nfs/dbraw/zinc/47/94/23/559479423.db2.gz LZPRYODRAZOXFY-FKBYEOEOSA-N 1 3 354.494 2.289 20 0 FEADHO CN(CCCOc1ccccc1)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321948 559480231 /nfs/dbraw/zinc/48/02/31/559480231.db2.gz DHUYAEYDAMTYLD-RBUKOAKNSA-N 1 3 359.514 2.235 20 0 FEADHO C[C@@H]([NH2+]C[C@H](O)[C@@H](N)Cc1ccccc1)c1cccc(-n2cccn2)c1 ZINC000420408138 559486138 /nfs/dbraw/zinc/48/61/38/559486138.db2.gz OZQGNFCGJXIVMM-CZAAIQMYSA-N 1 3 350.466 2.454 20 0 FEADHO CN(C[C@@H]1CCC[N@@H+]1C)c1ncc(Cl)c(N(C)C[C@@H]2CCCN2C)n1 ZINC000420635979 559494638 /nfs/dbraw/zinc/49/46/38/559494638.db2.gz MYPFGIKNETXNJV-GJZGRUSLSA-N 1 3 366.941 2.191 20 0 FEADHO CN(C[C@@H]1CCC[N@H+]1C)c1ncc(Cl)c(N(C)C[C@@H]2CCCN2C)n1 ZINC000420635979 559494639 /nfs/dbraw/zinc/49/46/39/559494639.db2.gz MYPFGIKNETXNJV-GJZGRUSLSA-N 1 3 366.941 2.191 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)NCc3ccc(C)cc3)CC2)CC1 ZINC000420986098 559517333 /nfs/dbraw/zinc/51/73/33/559517333.db2.gz XTAUXNSVXMXBEF-UHFFFAOYSA-N 1 3 372.557 2.103 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)NCc3ccc(C)cc3)CC2)CC1 ZINC000420986098 559517334 /nfs/dbraw/zinc/51/73/34/559517334.db2.gz XTAUXNSVXMXBEF-UHFFFAOYSA-N 1 3 372.557 2.103 20 0 FEADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C[C@H]1C[NH3+] ZINC000422633004 559598869 /nfs/dbraw/zinc/59/88/69/559598869.db2.gz HRACYGOZTDXADE-FRRDWIJNSA-N 1 3 366.893 2.073 20 0 FEADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C[C@H]1CN ZINC000422633004 559598870 /nfs/dbraw/zinc/59/88/70/559598870.db2.gz HRACYGOZTDXADE-FRRDWIJNSA-N 1 3 366.893 2.073 20 0 FEADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C[C@H]1CN ZINC000422633004 559598871 /nfs/dbraw/zinc/59/88/71/559598871.db2.gz HRACYGOZTDXADE-FRRDWIJNSA-N 1 3 366.893 2.073 20 0 FEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000422755291 559605522 /nfs/dbraw/zinc/60/55/22/559605522.db2.gz BBUPHHSYIQNASF-HKUYNNGSSA-N 1 3 365.543 2.468 20 0 FEADHO CN1CCN(c2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cn2)CC1 ZINC000422815489 559607267 /nfs/dbraw/zinc/60/72/67/559607267.db2.gz BWZHRKTXGHMXNH-HSALFYBXSA-N 1 3 357.546 2.234 20 0 FEADHO COc1cc(C[C@@H](CO)C[NH2+][C@@H](C)c2ccc(CN)nc2C)cc(OC)c1 ZINC000422818096 559607328 /nfs/dbraw/zinc/60/73/28/559607328.db2.gz FPMVOCLSYJUFOD-WMLDXEAASA-N 1 3 373.497 2.368 20 0 FEADHO C(N[C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCC1 ZINC000422842170 559608070 /nfs/dbraw/zinc/60/80/70/559608070.db2.gz FDYXPAFCHXZRGT-BZSNNMDCSA-N 1 3 353.576 2.095 20 0 FEADHO c1ccc(-c2ccc(NCCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)nn2)cc1 ZINC000422855657 559608618 /nfs/dbraw/zinc/60/86/18/559608618.db2.gz CXNUEZQVFORHFA-MISYRCLQSA-N 1 3 351.498 3.066 20 0 FEADHO COC[C@H](CCC[NH3+])NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000422929299 559611675 /nfs/dbraw/zinc/61/16/75/559611675.db2.gz PDMZJVCUOLNATA-ZDUSSCGKSA-N 1 3 368.279 2.078 20 0 FEADHO COc1cc(OC)cc(OCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422930432 559611778 /nfs/dbraw/zinc/61/17/78/559611778.db2.gz UIGYMUZJQNWOQQ-VAMGGRTRSA-N 1 3 364.486 2.219 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994179 559614235 /nfs/dbraw/zinc/61/42/35/559614235.db2.gz UTTVRHZUMMUPKK-YXPYIKCWSA-N 1 3 360.420 2.198 20 0 FEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994179 559614236 /nfs/dbraw/zinc/61/42/36/559614236.db2.gz UTTVRHZUMMUPKK-YXPYIKCWSA-N 1 3 360.420 2.198 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2ccnc(OC3CCC3)c2)CC[NH2+]CC1 ZINC000423014890 559615115 /nfs/dbraw/zinc/61/51/15/559615115.db2.gz QBHDHQUAMFHGDH-OAHLLOKOSA-N 1 3 361.486 2.424 20 0 FEADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423023784 559615488 /nfs/dbraw/zinc/61/54/88/559615488.db2.gz IARUQTFSHNRAGN-HBMCJLEFSA-N 1 3 366.509 2.010 20 0 FEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000423082456 559617978 /nfs/dbraw/zinc/61/79/78/559617978.db2.gz WUMNWXXXJNSKET-YJBOKZPZSA-N 1 3 367.559 2.127 20 0 FEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCN1C(=O)c2ccccc2C1=O ZINC000423116168 559619892 /nfs/dbraw/zinc/61/98/92/559619892.db2.gz ZSEVKSBXKURNLA-KXBFYZLASA-N 1 3 351.450 2.221 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000423138095 559620567 /nfs/dbraw/zinc/62/05/67/559620567.db2.gz SBAAXNLREISLAW-JCGIZDLHSA-N 1 3 351.466 2.221 20 0 FEADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423150355 559620872 /nfs/dbraw/zinc/62/08/72/559620872.db2.gz BSEBNJFSDRBHLT-DVOMOZLQSA-N 1 3 359.283 2.456 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423150355 559620873 /nfs/dbraw/zinc/62/08/73/559620873.db2.gz BSEBNJFSDRBHLT-DVOMOZLQSA-N 1 3 359.283 2.456 20 0 FEADHO CC(C)(CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)S(C)(=O)=O ZINC000423190947 559622441 /nfs/dbraw/zinc/62/24/41/559622441.db2.gz SEXMCWUQKSPLCZ-MAUKXSAKSA-N 1 3 352.500 2.045 20 0 FEADHO COc1cc(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)ccc1OCCN(C)C ZINC000423338720 559626037 /nfs/dbraw/zinc/62/60/37/559626037.db2.gz ILQUJOYKPWXPHL-SFHVURJKSA-N 1 3 363.502 2.030 20 0 FEADHO COc1ccc2c(c1)[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423377140 559627102 /nfs/dbraw/zinc/62/71/02/559627102.db2.gz DZCOSYZESBUFKV-IRXDYDNUSA-N 1 3 357.420 2.498 20 0 FEADHO C[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000423410269 559628133 /nfs/dbraw/zinc/62/81/33/559628133.db2.gz RQYFTOVVSYPIMX-DOTOQJQBSA-N 1 3 355.486 2.127 20 0 FEADHO CC(C)[C@H](C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H](C)[NH3+] ZINC000423412512 559628332 /nfs/dbraw/zinc/62/83/32/559628332.db2.gz WXWCDSHOERDJAC-YJBOKZPZSA-N 1 3 360.502 2.070 20 0 FEADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423750299 559638205 /nfs/dbraw/zinc/63/82/05/559638205.db2.gz XMIIOIODSJCZPI-PMACEKPBSA-N 1 3 372.557 2.341 20 0 FEADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423750299 559638206 /nfs/dbraw/zinc/63/82/06/559638206.db2.gz XMIIOIODSJCZPI-PMACEKPBSA-N 1 3 372.557 2.341 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000423800911 559639782 /nfs/dbraw/zinc/63/97/82/559639782.db2.gz SAXZFXCDQVLTQG-YRPNKDGESA-N 1 3 356.514 2.283 20 0 FEADHO C[C@@H]1CC2(CN1CCCS(=O)(=O)c1ccc(F)cc1)CC[NH2+]CC2 ZINC000424290425 559660809 /nfs/dbraw/zinc/66/08/09/559660809.db2.gz MNQMGRBMPOGOQQ-OAHLLOKOSA-N 1 3 354.491 2.454 20 0 FEADHO CN1CC[C@@]2(CC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000429029768 559789362 /nfs/dbraw/zinc/78/93/62/559789362.db2.gz PNFIIVUNZDAXND-DOTOQJQBSA-N 1 3 369.303 2.216 20 0 FEADHO CN1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000429029768 559789363 /nfs/dbraw/zinc/78/93/63/559789363.db2.gz PNFIIVUNZDAXND-DOTOQJQBSA-N 1 3 369.303 2.216 20 0 FEADHO COc1cc(NC(=O)CCN[C@](C)(C[NH3+])C(C)C)cc(OC)c1OC ZINC000430567473 559823034 /nfs/dbraw/zinc/82/30/34/559823034.db2.gz DOATVPXICVHYAO-GOSISDBHSA-N 1 3 353.463 2.004 20 0 FEADHO COCC[C@]1(C(=O)NC2CCN(Cc3ccccc3C)CC2)CC[NH2+]C1 ZINC000430771625 559827905 /nfs/dbraw/zinc/82/79/05/559827905.db2.gz ZTYVGBNTLXCAIW-OAQYLSRUSA-N 1 3 359.514 2.092 20 0 FEADHO C[C@@H](CC(=O)NCCc1ccc(OCCN(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000430913088 559830087 /nfs/dbraw/zinc/83/00/87/559830087.db2.gz RJXVVKQECAKDOS-PKOBYXMFSA-N 1 3 361.530 2.312 20 0 FEADHO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N1CCC([C@H](C)[NH3+])CC1 ZINC000430932864 559830696 /nfs/dbraw/zinc/83/06/96/559830696.db2.gz GNZVGJYEIOXCRV-SOUVJXGZSA-N 1 3 361.486 2.083 20 0 FEADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000431017751 559832493 /nfs/dbraw/zinc/83/24/93/559832493.db2.gz RTJSMFVRPQIXOV-RTWAWAEBSA-N 1 3 372.557 2.348 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NCCNc2cc[nH+]cc2)CCN1Cc1ccccc1 ZINC000431693220 559844225 /nfs/dbraw/zinc/84/42/25/559844225.db2.gz RWAOYIWZQOWCNN-FXAWDEMLSA-N 1 3 367.497 2.268 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]CCCN2CCCO[C@@H](C)C2)[C@H](C)C1 ZINC000432421160 559858416 /nfs/dbraw/zinc/85/84/16/559858416.db2.gz OEGGYBWVKPPLHW-AABGKKOBSA-N 1 3 355.567 2.214 20 0 FEADHO CC1CC[NH+](CCCCNC(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000433276225 559875489 /nfs/dbraw/zinc/87/54/89/559875489.db2.gz UEKAMDRDHMYMRL-IBGZPJMESA-N 1 3 368.566 2.299 20 0 FEADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433336408 559877520 /nfs/dbraw/zinc/87/75/20/559877520.db2.gz VMCXFYVRUZNWEQ-FGTMMUONSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433336408 559877521 /nfs/dbraw/zinc/87/75/21/559877521.db2.gz VMCXFYVRUZNWEQ-FGTMMUONSA-N 1 3 354.539 2.049 20 0 FEADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000433377703 559879090 /nfs/dbraw/zinc/87/90/90/559879090.db2.gz WTKJJSNTHKJDOM-SLFFLAALSA-N 1 3 356.514 2.407 20 0 FEADHO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H](C)N3CCCCCC3)CC2)CC1 ZINC000433570532 559884445 /nfs/dbraw/zinc/88/44/45/559884445.db2.gz MBBUSFUCCHJPQY-IBGZPJMESA-N 1 3 364.578 2.268 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433938166 559890921 /nfs/dbraw/zinc/89/09/21/559890921.db2.gz CJCRDKCSDLBINZ-RBUKOAKNSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@H]3CSCCN3)cc2)C1 ZINC000434888522 559911692 /nfs/dbraw/zinc/91/16/92/559911692.db2.gz TWIHUGFJCAIBNG-WBVHZDCISA-N 1 3 363.527 2.441 20 0 FEADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H]3CSCCN3)cc2)C1 ZINC000434888522 559911693 /nfs/dbraw/zinc/91/16/93/559911693.db2.gz TWIHUGFJCAIBNG-WBVHZDCISA-N 1 3 363.527 2.441 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccccc3OCC(=O)N3CCCC3)C[C@H]21 ZINC000435384777 559921985 /nfs/dbraw/zinc/92/19/85/559921985.db2.gz OKFACODGSQDKKD-QXAKKESOSA-N 1 3 357.498 2.247 20 0 FEADHO [NH3+]CC[C@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000442613908 560053422 /nfs/dbraw/zinc/05/34/22/560053422.db2.gz FQTSQZQAWTYXFS-LJQANCHMSA-N 1 3 358.530 2.176 20 0 FEADHO CCCN(C)CC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000443337555 560081086 /nfs/dbraw/zinc/08/10/86/560081086.db2.gz XPPARKAOMDHRCO-UHFFFAOYSA-N 1 3 351.466 2.127 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446575531 560147745 /nfs/dbraw/zinc/14/77/45/560147745.db2.gz JVOAZQIDQVRHBI-SFHVURJKSA-N 1 3 362.518 2.365 20 0 FEADHO C[C@H](C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)N1CCN(C)CC1 ZINC000449133253 560217416 /nfs/dbraw/zinc/21/74/16/560217416.db2.gz CYMIOTBJCSWLBK-VQTJNVASSA-N 1 3 358.574 2.308 20 0 FEADHO C[C@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)N1CCN(C)CC1 ZINC000449133253 560217417 /nfs/dbraw/zinc/21/74/17/560217417.db2.gz CYMIOTBJCSWLBK-VQTJNVASSA-N 1 3 358.574 2.308 20 0 FEADHO CN1CCN(C)[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453114163 560383554 /nfs/dbraw/zinc/38/35/54/560383554.db2.gz RRSOXQFFXSYGNC-GXRSIYKFSA-N 1 3 356.558 2.265 20 0 FEADHO CN1CCN(C)[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453114163 560383555 /nfs/dbraw/zinc/38/35/55/560383555.db2.gz RRSOXQFFXSYGNC-GXRSIYKFSA-N 1 3 356.558 2.265 20 0 FEADHO CN1CCN(C)[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453114163 560383556 /nfs/dbraw/zinc/38/35/56/560383556.db2.gz RRSOXQFFXSYGNC-GXRSIYKFSA-N 1 3 356.558 2.265 20 0 FEADHO COC1([C@H](C)NCc2ccncc2OCCC[NH+](C)C)CCOCC1 ZINC000453241664 560384503 /nfs/dbraw/zinc/38/45/03/560384503.db2.gz ZFIPVHQKDPBWLC-INIZCTEOSA-N 1 3 351.491 2.086 20 0 FEADHO C[C@H]1CN(C(=O)N[C@H]2CCN(C3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000454636025 560452288 /nfs/dbraw/zinc/45/22/88/560452288.db2.gz FBASGUSIKFVWAU-MJGOQNOKSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@H]1CN(C(=O)N[C@H]2CCN(C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000454636025 560452289 /nfs/dbraw/zinc/45/22/89/560452289.db2.gz FBASGUSIKFVWAU-MJGOQNOKSA-N 1 3 356.514 2.387 20 0 FEADHO CN1CC[C@H]2CN(C(=O)NCC3([N@H+](C)Cc4ccccc4)CCC3)C[C@H]21 ZINC000455338470 560478604 /nfs/dbraw/zinc/47/86/04/560478604.db2.gz SSWGILYXACUHKM-RBUKOAKNSA-N 1 3 356.514 2.387 20 0 FEADHO CN1CC[C@H]2CN(C(=O)NCC3([N@@H+](C)Cc4ccccc4)CCC3)C[C@H]21 ZINC000455338470 560478605 /nfs/dbraw/zinc/47/86/05/560478605.db2.gz SSWGILYXACUHKM-RBUKOAKNSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)CN1CCN(C)CC1 ZINC000455929188 560500594 /nfs/dbraw/zinc/50/05/94/560500594.db2.gz OKJYQUFMFHQLTJ-JXFKEZNVSA-N 1 3 373.545 2.241 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCCCC[N@H+](C)C3CC3)cc2)CC1 ZINC000457212166 560556277 /nfs/dbraw/zinc/55/62/77/560556277.db2.gz XFCZBHGCWDBNGJ-UHFFFAOYSA-N 1 3 358.530 2.433 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCCCC[N@@H+](C)C3CC3)cc2)CC1 ZINC000457212166 560556278 /nfs/dbraw/zinc/55/62/78/560556278.db2.gz XFCZBHGCWDBNGJ-UHFFFAOYSA-N 1 3 358.530 2.433 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)N2CCCC2)cc1 ZINC000457430537 560566288 /nfs/dbraw/zinc/56/62/88/560566288.db2.gz HBGGOXJTEZKRPI-GOSISDBHSA-N 1 3 362.518 2.472 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000457701993 560582576 /nfs/dbraw/zinc/58/25/76/560582576.db2.gz DIFYNKMEDQMNHT-NSHGMRRFSA-N 1 3 350.551 2.482 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CC[C@@]3(C2)CCCN(C)C3)C1 ZINC000457701993 560582577 /nfs/dbraw/zinc/58/25/77/560582577.db2.gz DIFYNKMEDQMNHT-NSHGMRRFSA-N 1 3 350.551 2.482 20 0 FEADHO C[N@@H+]1CCC[C@H](CCNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000457804463 560588687 /nfs/dbraw/zinc/58/86/87/560588687.db2.gz UEPPWTOVSZDSKH-QGZVFWFLSA-N 1 3 368.591 2.379 20 0 FEADHO C[N@H+]1CCC[C@H](CCNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000457804463 560588688 /nfs/dbraw/zinc/58/86/88/560588688.db2.gz UEPPWTOVSZDSKH-QGZVFWFLSA-N 1 3 368.591 2.379 20 0 FEADHO CN(C)C1(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)Cc2ccccc2C1 ZINC000458431453 560622884 /nfs/dbraw/zinc/62/28/84/560622884.db2.gz OKLQMLGPDPIHEB-QGZVFWFLSA-N 1 3 358.530 2.117 20 0 FEADHO CN(C)C1(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)Cc2ccccc2C1 ZINC000458431453 560622885 /nfs/dbraw/zinc/62/28/85/560622885.db2.gz OKLQMLGPDPIHEB-QGZVFWFLSA-N 1 3 358.530 2.117 20 0 FEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000458904045 560655248 /nfs/dbraw/zinc/65/52/48/560655248.db2.gz BHZJXVIEUGAXMA-RBUKOAKNSA-N 1 3 368.566 2.249 20 0 FEADHO CCO[C@@H]1CCC[C@H]1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000459115072 560667552 /nfs/dbraw/zinc/66/75/52/560667552.db2.gz SJADITQWJNPENT-RCCFBDPRSA-N 1 3 354.539 2.002 20 0 FEADHO CCO[C@@H]1CCC[C@H]1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000459115072 560667553 /nfs/dbraw/zinc/66/75/53/560667553.db2.gz SJADITQWJNPENT-RCCFBDPRSA-N 1 3 354.539 2.002 20 0 FEADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000459285664 560677644 /nfs/dbraw/zinc/67/76/44/560677644.db2.gz FDHQQNHJWHYWEO-UYAOXDASSA-N 1 3 373.545 2.277 20 0 FEADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459285664 560677646 /nfs/dbraw/zinc/67/76/46/560677646.db2.gz FDHQQNHJWHYWEO-UYAOXDASSA-N 1 3 373.545 2.277 20 0 FEADHO CCO[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)[C@H]1SC ZINC000459418253 560685540 /nfs/dbraw/zinc/68/55/40/560685540.db2.gz IQXSBBCTNHMQNH-KZNAEPCWSA-N 1 3 355.592 2.435 20 0 FEADHO COc1cc(CNCC[C@@H]2CCC[N@H+](C)C2)cc(Cl)c1OCC(N)=O ZINC000459737390 560705387 /nfs/dbraw/zinc/70/53/87/560705387.db2.gz RCBBYSOHKMWDRT-ZDUSSCGKSA-N 1 3 369.893 2.034 20 0 FEADHO COc1cc(CNCC[C@@H]2CCC[N@@H+](C)C2)cc(Cl)c1OCC(N)=O ZINC000459737390 560705388 /nfs/dbraw/zinc/70/53/88/560705388.db2.gz RCBBYSOHKMWDRT-ZDUSSCGKSA-N 1 3 369.893 2.034 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000461885024 560786326 /nfs/dbraw/zinc/78/63/26/560786326.db2.gz RQAVMCARORAXFR-OALUTQOASA-N 1 3 372.557 2.313 20 0 FEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000465216197 560860339 /nfs/dbraw/zinc/86/03/39/560860339.db2.gz ITBSPDKWVZOJJG-PMACEKPBSA-N 1 3 360.546 2.436 20 0 FEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000465216197 560860340 /nfs/dbraw/zinc/86/03/40/560860340.db2.gz ITBSPDKWVZOJJG-PMACEKPBSA-N 1 3 360.546 2.436 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000465553406 560868237 /nfs/dbraw/zinc/86/82/37/560868237.db2.gz WHZMGVWQMANNKV-LJQANCHMSA-N 1 3 368.566 2.393 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000465553406 560868238 /nfs/dbraw/zinc/86/82/38/560868238.db2.gz WHZMGVWQMANNKV-LJQANCHMSA-N 1 3 368.566 2.393 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCOC1CCCC1 ZINC000465671616 560870747 /nfs/dbraw/zinc/87/07/47/560870747.db2.gz XWGQSLWWGHHSCG-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCOC1CCCC1 ZINC000465671616 560870748 /nfs/dbraw/zinc/87/07/48/560870748.db2.gz XWGQSLWWGHHSCG-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000465750142 560872007 /nfs/dbraw/zinc/87/20/07/560872007.db2.gz HXNYALCPJJLWHT-KRWDZBQOSA-N 1 3 358.530 2.117 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000465750142 560872008 /nfs/dbraw/zinc/87/20/08/560872008.db2.gz HXNYALCPJJLWHT-KRWDZBQOSA-N 1 3 358.530 2.117 20 0 FEADHO CN1CCCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000466076396 560879673 /nfs/dbraw/zinc/87/96/73/560879673.db2.gz IQPDZPVQWDUCOW-WBVHZDCISA-N 1 3 350.532 2.478 20 0 FEADHO CN1CCCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000466076396 560879674 /nfs/dbraw/zinc/87/96/74/560879674.db2.gz IQPDZPVQWDUCOW-WBVHZDCISA-N 1 3 350.532 2.478 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3c[nH]nc3-c3ccc4c(c3)OCCO4)C[C@@H]21 ZINC000469872337 560967533 /nfs/dbraw/zinc/96/75/33/560967533.db2.gz BKROQTGWNFCPBZ-BHYGNILZSA-N 1 3 354.454 2.407 20 0 FEADHO CCCCOc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000470000141 560971515 /nfs/dbraw/zinc/97/15/15/560971515.db2.gz PQPXKPUASUZXQV-KRWDZBQOSA-N 1 3 363.502 2.161 20 0 FEADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000470018329 560972236 /nfs/dbraw/zinc/97/22/36/560972236.db2.gz NQJUCEUPAZFUDZ-CQSZACIVSA-N 1 3 361.877 2.017 20 0 FEADHO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc2c(c1)CNC2 ZINC000470366951 560979727 /nfs/dbraw/zinc/97/97/27/560979727.db2.gz JNMKJRFVISFEOJ-LJQANCHMSA-N 1 3 373.497 2.170 20 0 FEADHO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc2c(c1)CNC2 ZINC000470366951 560979728 /nfs/dbraw/zinc/97/97/28/560979728.db2.gz JNMKJRFVISFEOJ-LJQANCHMSA-N 1 3 373.497 2.170 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000470738121 560988280 /nfs/dbraw/zinc/98/82/80/560988280.db2.gz SVSWHLKKXFXTDU-WOJBJXKFSA-N 1 3 358.530 2.287 20 0 FEADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470732676 560988361 /nfs/dbraw/zinc/98/83/61/560988361.db2.gz MIQWEEQZBFMSNK-AOIWGVFYSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470732676 560988362 /nfs/dbraw/zinc/98/83/62/560988362.db2.gz MIQWEEQZBFMSNK-AOIWGVFYSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CN1C1CC1 ZINC000472036237 561016480 /nfs/dbraw/zinc/01/64/80/561016480.db2.gz CJIILPPVQDZSCR-IJXRJRJASA-N 1 3 368.525 2.385 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CN1C1CC1 ZINC000472036237 561016481 /nfs/dbraw/zinc/01/64/81/561016481.db2.gz CJIILPPVQDZSCR-IJXRJRJASA-N 1 3 368.525 2.385 20 0 FEADHO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000472681020 561032847 /nfs/dbraw/zinc/03/28/47/561032847.db2.gz BGLOECKAHJQGSV-QGZVFWFLSA-N 1 3 353.532 2.101 20 0 FEADHO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000472681020 561032848 /nfs/dbraw/zinc/03/28/48/561032848.db2.gz BGLOECKAHJQGSV-QGZVFWFLSA-N 1 3 353.532 2.101 20 0 FEADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000473297054 561046929 /nfs/dbraw/zinc/04/69/29/561046929.db2.gz DQNYQAJBXVDZLE-FQEVSTJZSA-N 1 3 360.546 2.217 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N(C)CC[NH+]3CCCC3)c2)CC1 ZINC000473826235 561058436 /nfs/dbraw/zinc/05/84/36/561058436.db2.gz FFFAFBMKKZTWHK-UHFFFAOYSA-N 1 3 359.518 2.388 20 0 FEADHO CN(C)[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000473983783 561062738 /nfs/dbraw/zinc/06/27/38/561062738.db2.gz OQDDSEYFEBOOBF-SOAGJPPSSA-N 1 3 358.530 2.475 20 0 FEADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529306385 562368220 /nfs/dbraw/zinc/36/82/20/562368220.db2.gz LQASRZKPNBEHSU-ZHALLVOQSA-N 1 3 366.550 2.049 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)N[C@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000529327049 562369481 /nfs/dbraw/zinc/36/94/81/562369481.db2.gz AGLAZIDCHZAHMU-IBGZPJMESA-N 1 3 372.513 2.243 20 0 FEADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529349427 562370482 /nfs/dbraw/zinc/37/04/82/562370482.db2.gz LBWGFCJJKVAQGZ-RBUKOAKNSA-N 1 3 356.514 2.229 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(N(C)c2ccccc2)nc1 ZINC000530641773 562418696 /nfs/dbraw/zinc/41/86/96/562418696.db2.gz JIBFLEHYZVEIIS-UHFFFAOYSA-N 1 3 369.513 2.415 20 0 FEADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530815821 562424725 /nfs/dbraw/zinc/42/47/25/562424725.db2.gz PQAZLZACPYOYLI-OPYAIIAOSA-N 1 3 359.514 2.003 20 0 FEADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530815821 562424726 /nfs/dbraw/zinc/42/47/26/562424726.db2.gz PQAZLZACPYOYLI-OPYAIIAOSA-N 1 3 359.514 2.003 20 0 FEADHO C[N@H+](CCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000530813683 562424830 /nfs/dbraw/zinc/42/48/30/562424830.db2.gz BKJDOPNYYIVMQE-QFIPXVFZSA-N 1 3 373.541 2.394 20 0 FEADHO C[N@@H+](CCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000530813683 562424831 /nfs/dbraw/zinc/42/48/31/562424831.db2.gz BKJDOPNYYIVMQE-QFIPXVFZSA-N 1 3 373.541 2.394 20 0 FEADHO C[C@H]1CN(CCNCc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000531848991 562458728 /nfs/dbraw/zinc/45/87/28/562458728.db2.gz MKBYIGISRUTMTR-SFHVURJKSA-N 1 3 360.546 2.027 20 0 FEADHO C[C@H]1CN(CC[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CCO1 ZINC000531848991 562458729 /nfs/dbraw/zinc/45/87/29/562458729.db2.gz MKBYIGISRUTMTR-SFHVURJKSA-N 1 3 360.546 2.027 20 0 FEADHO CC(C)[NH+]1CCC(NC[C@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC000531932550 562462011 /nfs/dbraw/zinc/46/20/11/562462011.db2.gz QPJYMBFNHQRHAM-GOSISDBHSA-N 1 3 350.576 2.499 20 0 FEADHO CC(C)N1CCC([NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC000531932550 562462012 /nfs/dbraw/zinc/46/20/12/562462012.db2.gz QPJYMBFNHQRHAM-GOSISDBHSA-N 1 3 350.576 2.499 20 0 FEADHO CSCc1cc(F)ccc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000532292235 562473004 /nfs/dbraw/zinc/47/30/04/562473004.db2.gz FHMHLBCXJSYOIB-UHFFFAOYSA-N 1 3 370.538 2.324 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000533027650 562496126 /nfs/dbraw/zinc/49/61/26/562496126.db2.gz OOWHFRIAJYLDGN-MAUKXSAKSA-N 1 3 357.502 2.143 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000533027650 562496127 /nfs/dbraw/zinc/49/61/27/562496127.db2.gz OOWHFRIAJYLDGN-MAUKXSAKSA-N 1 3 357.502 2.143 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000533027650 562496128 /nfs/dbraw/zinc/49/61/28/562496128.db2.gz OOWHFRIAJYLDGN-MAUKXSAKSA-N 1 3 357.502 2.143 20 0 FEADHO C[NH+]1CCC([C@H]2CCN([C@H]3CC(=O)N(CCc4ccccc4)C3=O)C2)CC1 ZINC000533684169 562515923 /nfs/dbraw/zinc/51/59/23/562515923.db2.gz HAMCDEZOINUDFG-PMACEKPBSA-N 1 3 369.509 2.020 20 0 FEADHO O=C(NCCNc1ccncc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000533811738 562518969 /nfs/dbraw/zinc/51/89/69/562518969.db2.gz IPYSVCDNDXPWFK-UHFFFAOYSA-N 1 3 353.470 2.011 20 0 FEADHO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)C2)CC1 ZINC000535897514 562570585 /nfs/dbraw/zinc/57/05/85/562570585.db2.gz ATFNARJDBABAGF-NHCUHLMSSA-N 1 3 370.541 2.484 20 0 FEADHO CC(C)C[C@H](N[C@H](C)c1ccc([S@](C)=O)cc1)C(=O)NCC[NH+](C)C ZINC000540744639 562592464 /nfs/dbraw/zinc/59/24/64/562592464.db2.gz PTYFDYAMUFADFP-DZQNVJDRSA-N 1 3 367.559 2.167 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)CCN(C)c3cc[nH+]cc3)CC2)C[C@@H](C)O1 ZINC000540926402 562597203 /nfs/dbraw/zinc/59/72/03/562597203.db2.gz QXWUERAMCPYRRX-QZTJIDSGSA-N 1 3 374.529 2.256 20 0 FEADHO C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CCCN(C)C2)CCOCC1)c1ccccc1 ZINC000603593634 568121605 /nfs/dbraw/zinc/12/16/05/568121605.db2.gz SXGQSLVIMIXRLB-HKUYNNGSSA-N 1 3 374.529 2.280 20 0 FEADHO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000431139306 568278560 /nfs/dbraw/zinc/27/85/60/568278560.db2.gz OERXSHDDUVHVAR-OAHLLOKOSA-N 1 3 350.511 2.310 20 0 FEADHO O=C(NC[C@H]1CCCC[NH2+]1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000636987760 568280990 /nfs/dbraw/zinc/28/09/90/568280990.db2.gz CSBYWFPKYKSNHI-CTNGQTDRSA-N 1 3 356.514 2.436 20 0 FEADHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825576344 609150425 /nfs/dbraw/zinc/15/04/25/609150425.db2.gz DVLUDCKPXSISNW-TZMCWYRMSA-N 1 3 350.442 2.013 20 0 FEADHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825576344 609150427 /nfs/dbraw/zinc/15/04/27/609150427.db2.gz DVLUDCKPXSISNW-TZMCWYRMSA-N 1 3 350.442 2.013 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000811812348 674630016 /nfs/dbraw/zinc/63/00/16/674630016.db2.gz QRNVJYAZVNPFTF-FCEWJHQRSA-N 1 3 357.539 2.220 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000811812348 674630018 /nfs/dbraw/zinc/63/00/18/674630018.db2.gz QRNVJYAZVNPFTF-FCEWJHQRSA-N 1 3 357.539 2.220 20 0 FEADHO CC[C@H](NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCCC[NH2+]1 ZINC000562956769 674827417 /nfs/dbraw/zinc/82/74/17/674827417.db2.gz FPIYZOLXQXLHLY-PMPSAXMXSA-N 1 3 371.572 2.269 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](O)CC(C)(C)C)CC2)CC1 ZINC000570695249 670755404 /nfs/dbraw/zinc/75/54/04/670755404.db2.gz XDBLYHQMNCSVAI-SFHVURJKSA-N 1 3 353.551 2.096 20 0 FEADHO CCN1CCN([C@@H](C)CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000579128675 671714418 /nfs/dbraw/zinc/71/44/18/671714418.db2.gz LXGMIGIGEMIABN-PKOBYXMFSA-N 1 3 352.567 2.207 20 0 FEADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCOc1cccc(Cl)c1 ZINC000580952045 671849820 /nfs/dbraw/zinc/84/98/20/671849820.db2.gz CVDSUCWIAGTMGA-CVEARBPZSA-N 1 3 365.905 2.157 20 0 FEADHO Cc1ccc(C)c(OC[C@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000584717211 672208779 /nfs/dbraw/zinc/20/87/79/672208779.db2.gz UAGZDTCPPFPFOW-RTBURBONSA-N 1 3 350.503 2.134 20 0 FEADHO Cc1ccc(C)c(OC[C@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000584717211 672208781 /nfs/dbraw/zinc/20/87/81/672208781.db2.gz UAGZDTCPPFPFOW-RTBURBONSA-N 1 3 350.503 2.134 20 0 FEADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000700802377 673056147 /nfs/dbraw/zinc/05/61/47/673056147.db2.gz IFXIJCCIZKXSQY-ULQDDVLXSA-N 1 3 355.523 2.332 20 0 FEADHO CCOC(=O)c1csc(CCNC2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000594498944 673094136 /nfs/dbraw/zinc/09/41/36/673094136.db2.gz DIWHJTRREOMRPY-OAHLLOKOSA-N 1 3 367.515 2.095 20 0 FEADHO COC(=O)CCCN1CCC([NH2+][C@H]2CCN(C3CCCCC3)C2)CC1 ZINC000597207987 673456820 /nfs/dbraw/zinc/45/68/20/673456820.db2.gz IPADZNLYYIBYBB-SFHVURJKSA-N 1 3 351.535 2.401 20 0 FEADHO C[C@@H]1CN(CCOC2CCN(CCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000539150391 673476610 /nfs/dbraw/zinc/47/66/10/673476610.db2.gz WALKWOYPTNKTPN-KDURUIRLSA-N 1 3 353.551 2.063 20 0 FEADHO C[C@@H]1[C@H](C(=O)N(C[C@H](O)CC(C)(C)C)C2CCN(C)CC2)CC[N@@H+]1C ZINC000614443141 676175128 /nfs/dbraw/zinc/17/51/28/676175128.db2.gz QHXVNWWNHFHERU-KBAYOESNSA-N 1 3 353.551 2.047 20 0 FEADHO C[C@@H]1[C@H](C(=O)N(C[C@H](O)CC(C)(C)C)C2CCN(C)CC2)CC[N@H+]1C ZINC000614443141 676175129 /nfs/dbraw/zinc/17/51/29/676175129.db2.gz QHXVNWWNHFHERU-KBAYOESNSA-N 1 3 353.551 2.047 20 0 FEADHO CN(CCCN(C)[C@H]1CCN(c2ccccc2Cl)C1=O)CC[NH+](C)C ZINC000567424652 675292155 /nfs/dbraw/zinc/29/21/55/675292155.db2.gz JLTFTBLRXSGQTR-SFHVURJKSA-N 1 3 366.937 2.261 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C[C@@H](C)OC)C(C)C)CC2)CC1 ZINC000568200139 675358072 /nfs/dbraw/zinc/35/80/72/675358072.db2.gz QQUZMKHQYJMZLY-QGZVFWFLSA-N 1 3 353.551 2.455 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc(Cl)n1 ZINC000825548413 675658452 /nfs/dbraw/zinc/65/84/52/675658452.db2.gz XDVXFJLBOXSKSW-NUEKZKHPSA-N 1 3 350.894 2.424 20 0 FEADHO Cc1ccc(Cl)c(OCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617503328 676288596 /nfs/dbraw/zinc/28/85/96/676288596.db2.gz FEELBTZOXVYYDZ-HNNXBMFYSA-N 1 3 355.910 2.415 20 0 FEADHO Cc1ccc(Cl)c(OCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617503328 676288597 /nfs/dbraw/zinc/28/85/97/676288597.db2.gz FEELBTZOXVYYDZ-HNNXBMFYSA-N 1 3 355.910 2.415 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000617505414 676288732 /nfs/dbraw/zinc/28/87/32/676288732.db2.gz BNQMAHYLJFLMPS-YSVLISHTSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000617505414 676288735 /nfs/dbraw/zinc/28/87/35/676288735.db2.gz BNQMAHYLJFLMPS-YSVLISHTSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CSc1ccc(F)c(F)c1 ZINC000617503956 676289005 /nfs/dbraw/zinc/28/90/05/676289005.db2.gz BUJSYJWLYZLIBK-ZDUSSCGKSA-N 1 3 359.486 2.445 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CSc1ccc(F)c(F)c1 ZINC000617503956 676289006 /nfs/dbraw/zinc/28/90/06/676289006.db2.gz BUJSYJWLYZLIBK-ZDUSSCGKSA-N 1 3 359.486 2.445 20 0 FEADHO CN1CCN([C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623336165 676529975 /nfs/dbraw/zinc/52/99/75/676529975.db2.gz ZHLICJFJTLXSBU-DLBZAZTESA-N 1 3 350.576 2.499 20 0 FEADHO CN1CCN([C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623336165 676529976 /nfs/dbraw/zinc/52/99/76/676529976.db2.gz ZHLICJFJTLXSBU-DLBZAZTESA-N 1 3 350.576 2.499 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(F)c(F)c2N(C)C)CC1 ZINC000623402712 676533112 /nfs/dbraw/zinc/53/31/12/676533112.db2.gz WOUIZURZYIFPEO-HNNXBMFYSA-N 1 3 354.489 2.394 20 0 FEADHO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000623960681 676558603 /nfs/dbraw/zinc/55/86/03/676558603.db2.gz DHUIUNDLMMKLAC-HZMBPMFUSA-N 1 3 351.800 2.341 20 0 FEADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CCCCN2C2CC2)CC[C@@H]1C(F)(F)F ZINC000627020214 676735041 /nfs/dbraw/zinc/73/50/41/676735041.db2.gz CKXBRBWPKDZOPN-YUELXQCFSA-N 1 3 362.440 2.172 20 0 FEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627023007 676735236 /nfs/dbraw/zinc/73/52/36/676735236.db2.gz HQIYSZKZEAIRSA-RDBSUJKOSA-N 1 3 364.456 2.276 20 0 FEADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2ccccc2CC(F)(F)F)C1 ZINC000631064058 676931613 /nfs/dbraw/zinc/93/16/13/676931613.db2.gz MKCGTYVFEUEVKD-INIZCTEOSA-N 1 3 357.420 2.468 20 0 FEADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)CC2(O)CCOCC2)[C@H]1c1cccs1 ZINC000634706442 677080226 /nfs/dbraw/zinc/08/02/26/677080226.db2.gz PLVJEGKODUEANU-NUJGCVRESA-N 1 3 368.543 2.013 20 0 FEADHO C[N@H+]1CCC[C@H](CNC[C@H](O)CC2(O)CCOCC2)[C@H]1c1cccs1 ZINC000634706442 677080227 /nfs/dbraw/zinc/08/02/27/677080227.db2.gz PLVJEGKODUEANU-NUJGCVRESA-N 1 3 368.543 2.013 20 0 FEADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC[C@@H](CO)c1ccc(Cl)cc1 ZINC000634731014 677080904 /nfs/dbraw/zinc/08/09/04/677080904.db2.gz BNRNZVVBWFQBLY-ICSRJNTNSA-N 1 3 362.901 2.498 20 0 FEADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNC[C@@H](CO)c1ccc(Cl)cc1 ZINC000634731014 677080905 /nfs/dbraw/zinc/08/09/05/677080905.db2.gz BNRNZVVBWFQBLY-ICSRJNTNSA-N 1 3 362.901 2.498 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccc(S(N)(=O)=O)s2)C1 ZINC000638369328 677144032 /nfs/dbraw/zinc/14/40/32/677144032.db2.gz GCSUHVUKNCABEI-OKILXGFUSA-N 1 3 359.561 2.243 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccc(S(N)(=O)=O)s2)C1 ZINC000638369328 677144033 /nfs/dbraw/zinc/14/40/33/677144033.db2.gz GCSUHVUKNCABEI-OKILXGFUSA-N 1 3 359.561 2.243 20 0 FEADHO COC[C@@H](CCC[NH3+])N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000643470363 677226958 /nfs/dbraw/zinc/22/69/58/677226958.db2.gz IVMAZNNBVDGWLS-HIFRSBDPSA-N 1 3 359.392 2.154 20 0 FEADHO Cc1ccc(Cl)c(OC[C@@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000644632310 677247035 /nfs/dbraw/zinc/24/70/35/677247035.db2.gz WVNWFNJRLIJSJO-SJORKVTESA-N 1 3 370.921 2.479 20 0 FEADHO Cc1ccc(Cl)c(OC[C@@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000644632310 677247036 /nfs/dbraw/zinc/24/70/36/677247036.db2.gz WVNWFNJRLIJSJO-SJORKVTESA-N 1 3 370.921 2.479 20 0 FEADHO CC[C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)N1CCc2ccccc2C1 ZINC000649292909 677328855 /nfs/dbraw/zinc/32/88/55/677328855.db2.gz LIGFHDISRRISBW-DLBZAZTESA-N 1 3 351.441 2.184 20 0 FEADHO Cc1ccc([C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)N2CCCC2)cc1 ZINC000655913822 677672243 /nfs/dbraw/zinc/67/22/43/677672243.db2.gz JUKOVRUDYQIPKU-LSDHHAIUSA-N 1 3 358.408 2.321 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662681444 678650440 /nfs/dbraw/zinc/65/04/40/678650440.db2.gz DWOCSVUYJZIXOC-KRWDZBQOSA-N 1 3 355.404 2.093 20 0 FEADHO Cc1csc([C@@H](C)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000664647043 678908996 /nfs/dbraw/zinc/90/89/96/678908996.db2.gz KYBLHVHZZYMBMB-KBPBESRZSA-N 1 3 355.552 2.126 20 0 FEADHO Cc1csc([C@@H](C)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000664647043 678908998 /nfs/dbraw/zinc/90/89/98/678908998.db2.gz KYBLHVHZZYMBMB-KBPBESRZSA-N 1 3 355.552 2.126 20 0 FEADHO COC1(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCC(C)CC1 ZINC000664788493 678924125 /nfs/dbraw/zinc/92/41/25/678924125.db2.gz LLWXDULCMLMZKB-HFCFLWKCSA-N 1 3 356.555 2.153 20 0 FEADHO COC1(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCC(C)CC1 ZINC000664788493 678924126 /nfs/dbraw/zinc/92/41/26/678924126.db2.gz LLWXDULCMLMZKB-HFCFLWKCSA-N 1 3 356.555 2.153 20 0 FEADHO N[C@H](C[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1)C1CC1 ZINC000666835034 679047782 /nfs/dbraw/zinc/04/77/82/679047782.db2.gz IWOYFORBUCVHHY-MRXNPFEDSA-N 1 3 358.511 2.474 20 0 FEADHO CO[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000667642173 679120059 /nfs/dbraw/zinc/12/00/59/679120059.db2.gz QZUPDPRTPKFEJT-IBGZPJMESA-N 1 3 351.535 2.257 20 0 FEADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)(N2CCCCC2)CC1 ZINC000669251160 679224515 /nfs/dbraw/zinc/22/45/15/679224515.db2.gz BECVPRULTCHESZ-IAGOWNOFSA-N 1 3 351.535 2.257 20 0 FEADHO O=C(NC[C@@H]1CCCC[NH2+]1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000669573919 679243521 /nfs/dbraw/zinc/24/35/21/679243521.db2.gz KRTNHWGKYOBRRL-NFOMZHRRSA-N 1 3 362.440 2.233 20 0 FEADHO COc1cc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccc1Cl ZINC001018867454 680084234 /nfs/dbraw/zinc/08/42/34/680084234.db2.gz OIIJNQLEMNRKSJ-VNQPRFMTSA-N 1 3 365.905 2.379 20 0 FEADHO COc1cc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccc1Cl ZINC001018867454 680084238 /nfs/dbraw/zinc/08/42/38/680084238.db2.gz OIIJNQLEMNRKSJ-VNQPRFMTSA-N 1 3 365.905 2.379 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(C[C@H]3CC(C)(C)CO3)CC2)CC[N@@H+]1C ZINC000981199966 680220592 /nfs/dbraw/zinc/22/05/92/680220592.db2.gz HDAHUPFXQHQDFS-FGTMMUONSA-N 1 3 351.535 2.066 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(C[C@H]3CC(C)(C)CO3)CC2)CC[N@H+]1C ZINC000981199966 680220593 /nfs/dbraw/zinc/22/05/93/680220593.db2.gz HDAHUPFXQHQDFS-FGTMMUONSA-N 1 3 351.535 2.066 20 0 FEADHO Cc1nsc(C)c1CN1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023378690 680258050 /nfs/dbraw/zinc/25/80/50/680258050.db2.gz DFBAMHGWAFDRTM-HYVNUMGLSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1nsc(C)c1CN1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023378690 680258054 /nfs/dbraw/zinc/25/80/54/680258054.db2.gz DFBAMHGWAFDRTM-HYVNUMGLSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1ncc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)s1 ZINC000995825614 680304312 /nfs/dbraw/zinc/30/43/12/680304312.db2.gz OMKRCXRKTBBOQS-WQVCFCJDSA-N 1 3 350.532 2.118 20 0 FEADHO Cc1ncc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)s1 ZINC000995825614 680304314 /nfs/dbraw/zinc/30/43/14/680304314.db2.gz OMKRCXRKTBBOQS-WQVCFCJDSA-N 1 3 350.532 2.118 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3ccnc(Cl)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000995828415 680305224 /nfs/dbraw/zinc/30/52/24/680305224.db2.gz XRKMSMALQODRTQ-FVQBIDKESA-N 1 3 364.921 2.402 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3ccnc(Cl)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995828415 680305225 /nfs/dbraw/zinc/30/52/25/680305225.db2.gz XRKMSMALQODRTQ-FVQBIDKESA-N 1 3 364.921 2.402 20 0 FEADHO C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000754464349 680358153 /nfs/dbraw/zinc/35/81/53/680358153.db2.gz JRAAVWUYENXGPF-WBVHZDCISA-N 1 3 365.543 2.119 20 0 FEADHO CCc1nc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC000997786508 680366040 /nfs/dbraw/zinc/36/60/40/680366040.db2.gz RWDZOFHPTHRNSJ-RHSMWYFYSA-N 1 3 364.559 2.374 20 0 FEADHO CCc1nc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC000997786508 680366046 /nfs/dbraw/zinc/36/60/46/680366046.db2.gz RWDZOFHPTHRNSJ-RHSMWYFYSA-N 1 3 364.559 2.374 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cccc(Cl)n2)CC[N@@H+]1C ZINC001034939509 680440484 /nfs/dbraw/zinc/44/04/84/680440484.db2.gz CZVQLLXRLMTXFJ-FVQBIDKESA-N 1 3 350.894 2.156 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cccc(Cl)n2)CC[N@H+]1C ZINC001034939509 680440488 /nfs/dbraw/zinc/44/04/88/680440488.db2.gz CZVQLLXRLMTXFJ-FVQBIDKESA-N 1 3 350.894 2.156 20 0 FEADHO CN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841692311 680907372 /nfs/dbraw/zinc/90/73/72/680907372.db2.gz QZLPQPITKOKSIY-LSDHHAIUSA-N 1 3 350.507 2.107 20 0 FEADHO Cc1cc([C@H](N)CC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc(Cl)n1 ZINC000841849343 680914660 /nfs/dbraw/zinc/91/46/60/680914660.db2.gz MWMVCKVKJCMNDJ-DZGCQCFKSA-N 1 3 359.861 2.283 20 0 FEADHO Cc1ncc(CN2CCC3(CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C3)CC2)s1 ZINC001050524318 681049487 /nfs/dbraw/zinc/04/94/87/681049487.db2.gz YTDAKHREDSRSMB-RHSMWYFYSA-N 1 3 362.543 2.216 20 0 FEADHO Cc1ncc(CN2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)CC2)s1 ZINC001050524318 681049489 /nfs/dbraw/zinc/04/94/89/681049489.db2.gz YTDAKHREDSRSMB-RHSMWYFYSA-N 1 3 362.543 2.216 20 0 FEADHO COC(=O)c1sccc1CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000774731335 681226823 /nfs/dbraw/zinc/22/68/23/681226823.db2.gz DHAIYFCZBSCVNK-INIZCTEOSA-N 1 3 351.516 2.135 20 0 FEADHO C[C@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000774763965 681231091 /nfs/dbraw/zinc/23/10/91/681231091.db2.gz PKSUWWILONGOMI-KFKAGJAMSA-N 1 3 351.922 2.331 20 0 FEADHO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000774763965 681231097 /nfs/dbraw/zinc/23/10/97/681231097.db2.gz PKSUWWILONGOMI-KFKAGJAMSA-N 1 3 351.922 2.331 20 0 FEADHO COCC[N@H+](C)C[C@@H](O)CN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000846851023 681298395 /nfs/dbraw/zinc/29/83/95/681298395.db2.gz AKTSVSYWPDKQAC-NVXWUHKLSA-N 1 3 360.420 2.434 20 0 FEADHO COCC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000846851023 681298399 /nfs/dbraw/zinc/29/83/99/681298399.db2.gz AKTSVSYWPDKQAC-NVXWUHKLSA-N 1 3 360.420 2.434 20 0 FEADHO COC(=O)CCC[NH+]1CCC(NC[C@H](O)c2c(F)cccc2F)CC1 ZINC000775634607 681320148 /nfs/dbraw/zinc/32/01/48/681320148.db2.gz VKUUFQKACUUBPR-INIZCTEOSA-N 1 3 356.413 2.005 20 0 FEADHO CC[N@H+](C)C[C@@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000847010871 681320893 /nfs/dbraw/zinc/32/08/93/681320893.db2.gz NESJMQGQEALLSW-JKSUJKDBSA-N 1 3 355.523 2.211 20 0 FEADHO CC[N@@H+](C)C[C@@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000847010871 681320899 /nfs/dbraw/zinc/32/08/99/681320899.db2.gz NESJMQGQEALLSW-JKSUJKDBSA-N 1 3 355.523 2.211 20 0 FEADHO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000849091306 681651903 /nfs/dbraw/zinc/65/19/03/681651903.db2.gz UERPDYOECGIBOP-HUUCEWRRSA-N 1 3 356.392 2.183 20 0 FEADHO C[C@H](Cc1ccccc1)NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000849276793 681675835 /nfs/dbraw/zinc/67/58/35/681675835.db2.gz PGYGCGHSNVDWBS-SJORKVTESA-N 1 3 350.576 2.354 20 0 FEADHO C[C@H](Cc1ccccc1)NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000849276793 681675839 /nfs/dbraw/zinc/67/58/39/681675839.db2.gz PGYGCGHSNVDWBS-SJORKVTESA-N 1 3 350.576 2.354 20 0 FEADHO Cc1cnc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC000940119692 682031344 /nfs/dbraw/zinc/03/13/44/682031344.db2.gz GRHWOGZDRBVNFX-HUUCEWRRSA-N 1 3 350.532 2.262 20 0 FEADHO Cc1cnc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC000940119692 682031348 /nfs/dbraw/zinc/03/13/48/682031348.db2.gz GRHWOGZDRBVNFX-HUUCEWRRSA-N 1 3 350.532 2.262 20 0 FEADHO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000788248623 682515112 /nfs/dbraw/zinc/51/51/12/682515112.db2.gz RVAJIJGDVCMFLH-YESZJQIVSA-N 1 3 355.523 2.259 20 0 FEADHO Cc1ccc(Br)nc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346633 682659826 /nfs/dbraw/zinc/65/98/26/682659826.db2.gz HIMLNLVPHLGCKK-ZDUSSCGKSA-N 1 3 371.323 2.154 20 0 FEADHO Cc1ccc(Br)nc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346633 682659830 /nfs/dbraw/zinc/65/98/30/682659830.db2.gz HIMLNLVPHLGCKK-ZDUSSCGKSA-N 1 3 371.323 2.154 20 0 FEADHO C[NH+](C)C1CC(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000857228508 682866947 /nfs/dbraw/zinc/86/69/47/682866947.db2.gz OKAYJTLIVYDFCC-OFLPRAFFSA-N 1 3 351.441 2.353 20 0 FEADHO CN(CCCN(C)C(=S)NCC(C)(C)C[NH+](C)C)Cc1ccco1 ZINC000795163144 683025246 /nfs/dbraw/zinc/02/52/46/683025246.db2.gz BVWAYUXXCNNFTG-UHFFFAOYSA-N 1 3 354.564 2.496 20 0 FEADHO CN(C)S(=O)(=O)Cc1ccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925804088 683038686 /nfs/dbraw/zinc/03/86/86/683038686.db2.gz BYBCWIXHWQAYNV-IRXDYDNUSA-N 1 3 353.532 2.074 20 0 FEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc([C@H](C)O)s3)C2)[C@@H]1C(C)C ZINC000922393101 683713316 /nfs/dbraw/zinc/71/33/16/683713316.db2.gz KCKTVQXDXMNDPK-CWLUVXEGSA-N 1 3 353.532 2.156 20 0 FEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc([C@H](C)O)s3)C2)[C@@H]1C(C)C ZINC000922393101 683713320 /nfs/dbraw/zinc/71/33/20/683713320.db2.gz KCKTVQXDXMNDPK-CWLUVXEGSA-N 1 3 353.532 2.156 20 0 FEADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000863549258 683740683 /nfs/dbraw/zinc/74/06/83/683740683.db2.gz FSFVBXQHPIZYEY-CVEARBPZSA-N 1 3 351.397 2.381 20 0 FEADHO CC(C)[C@](C)(C[NH3+])NC[C@H](O)COc1cc(F)cc(Br)c1 ZINC000923295714 684258374 /nfs/dbraw/zinc/25/83/74/684258374.db2.gz FLCFVCFIPVBFPT-ZFWWWQNUSA-N 1 3 363.271 2.291 20 0 FEADHO CC(C)[C@@](C)(C[NH3+])NC[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923295713 684258541 /nfs/dbraw/zinc/25/85/41/684258541.db2.gz FLCFVCFIPVBFPT-UKRRQHHQSA-N 1 3 363.271 2.291 20 0 FEADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000923380697 684271871 /nfs/dbraw/zinc/27/18/71/684271871.db2.gz BYHHGOWQHRYYSW-BPLDGKMQSA-N 1 3 361.255 2.187 20 0 FEADHO Cc1cc([C@H](N)CC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cc(Cl)n1 ZINC000877344140 686358704 /nfs/dbraw/zinc/35/87/04/686358704.db2.gz VATONPGOXVCKBE-DLBZAZTESA-N 1 3 358.873 2.264 20 0 FEADHO F[C@@H]1CC2(CC[C@@H]1N1CCC(OCC[NH+]3CCCC3)CC1)OCCO2 ZINC000892130662 689154610 /nfs/dbraw/zinc/15/46/10/689154610.db2.gz PQNIOFHYWDSTOE-MSOLQXFVSA-N 1 3 356.482 2.197 20 0 FEADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC000892610746 689217873 /nfs/dbraw/zinc/21/78/73/689217873.db2.gz NCVZGTNOZCQULX-QZTJIDSGSA-N 1 3 352.450 2.350 20 0 FEADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1 ZINC000898366991 690167815 /nfs/dbraw/zinc/16/78/15/690167815.db2.gz JPULYIDZMHLISB-CYBMUJFWSA-N 1 3 353.898 2.267 20 0 FEADHO CN(c1cccc(C[NH2+][C@H]2CCN(C)[C@@H]3CCC[C@H]32)c1)S(C)(=O)=O ZINC000903424455 690892412 /nfs/dbraw/zinc/89/24/12/690892412.db2.gz VQGARVBQDCSWBH-OKZBNKHCSA-N 1 3 351.516 2.045 20 0 FEADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000903842724 690978525 /nfs/dbraw/zinc/97/85/25/690978525.db2.gz SPYDEOYEXCZCBP-YOENINGUSA-N 1 3 364.287 2.366 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000905356690 691107847 /nfs/dbraw/zinc/10/78/47/691107847.db2.gz QQVNMFYPZPIYHG-SFHVURJKSA-N 1 3 365.543 2.147 20 0 FEADHO Cc1cc2[nH]ccc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)[nH+]1 ZINC001164741070 720712817 /nfs/dbraw/zinc/71/28/17/720712817.db2.gz SKDPYBPAFCCABB-HUUCEWRRSA-N 1 3 350.426 2.003 20 0 FEADHO C[NH+](C)CCOc1cccc(CNC(=O)NC2CCN(C3CC3)CC2)c1 ZINC000045409900 540212205 /nfs/dbraw/zinc/21/22/05/540212205.db2.gz FIAYYOOFMNTLLQ-UHFFFAOYSA-N 1 3 360.502 2.053 20 0 FEADHO C[C@H]1CCCCN1CCNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000045814444 540229854 /nfs/dbraw/zinc/22/98/54/540229854.db2.gz DPVRWUXSDIQEFL-KRWDZBQOSA-N 1 3 362.518 2.301 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 ZINC000050801419 540414453 /nfs/dbraw/zinc/41/44/53/540414453.db2.gz KBVKISIHIIKSSI-UHFFFAOYSA-N 1 3 373.497 2.136 20 0 FEADHO Cn1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000050801369 540414756 /nfs/dbraw/zinc/41/47/56/540414756.db2.gz DJJBKXRKGBNFJE-UHFFFAOYSA-N 1 3 354.498 2.467 20 0 FEADHO COc1ccccc1CCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050802820 540415646 /nfs/dbraw/zinc/41/56/46/540415646.db2.gz CONKVFPGJSJFCB-UHFFFAOYSA-N 1 3 359.514 2.303 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cnc(C)s1 ZINC000073868634 542008910 /nfs/dbraw/zinc/00/89/10/542008910.db2.gz MXVSVYQCLFJFEQ-HNNXBMFYSA-N 1 3 353.536 2.009 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cnc(C)s1 ZINC000073868634 542008914 /nfs/dbraw/zinc/00/89/14/542008914.db2.gz MXVSVYQCLFJFEQ-HNNXBMFYSA-N 1 3 353.536 2.009 20 0 FEADHO CN(CCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000074858124 542129657 /nfs/dbraw/zinc/12/96/57/542129657.db2.gz VTHXELOAMMUBNH-FQEVSTJZSA-N 1 3 358.530 2.492 20 0 FEADHO CN(CCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000074858124 542129661 /nfs/dbraw/zinc/12/96/61/542129661.db2.gz VTHXELOAMMUBNH-FQEVSTJZSA-N 1 3 358.530 2.492 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000074863242 542130092 /nfs/dbraw/zinc/13/00/92/542130092.db2.gz XUCFDAUZTVJVRN-MOPGFXCFSA-N 1 3 366.550 2.003 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000074863242 542130095 /nfs/dbraw/zinc/13/00/95/542130095.db2.gz XUCFDAUZTVJVRN-MOPGFXCFSA-N 1 3 366.550 2.003 20 0 FEADHO CCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C[C@H]1CCOC1 ZINC000076720039 542317162 /nfs/dbraw/zinc/31/71/62/542317162.db2.gz FCFLSZNIBCXKLZ-LJQANCHMSA-N 1 3 373.541 2.434 20 0 FEADHO CC[NH+](CC)CCCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000081223871 542640067 /nfs/dbraw/zinc/64/00/67/542640067.db2.gz XYAALQRXPFRNNI-UHFFFAOYSA-N 1 3 360.546 2.355 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)CC2)c1 ZINC000081328589 542648945 /nfs/dbraw/zinc/64/89/45/542648945.db2.gz UYXITFUEKHBZCB-OAQYLSRUSA-N 1 3 370.541 2.204 20 0 FEADHO CN(C)CCNC(=O)c1ccc(CNC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000090038849 542781023 /nfs/dbraw/zinc/78/10/23/542781023.db2.gz IDTOZUIIGKVYPG-UHFFFAOYSA-N 1 3 372.557 2.475 20 0 FEADHO O=C(c1cnccn1)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000090052596 542781475 /nfs/dbraw/zinc/78/14/75/542781475.db2.gz CXWKOZQNAVJVLJ-UHFFFAOYSA-N 1 3 371.529 2.468 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](O)COc1ccccc1Br ZINC000090457889 542785095 /nfs/dbraw/zinc/78/50/95/542785095.db2.gz LGHYGSMZCOEXOE-IPYPFGDCSA-N 1 3 357.292 2.119 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](O)COc1ccccc1Br ZINC000090457889 542785098 /nfs/dbraw/zinc/78/50/98/542785098.db2.gz LGHYGSMZCOEXOE-IPYPFGDCSA-N 1 3 357.292 2.119 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc(CN(C)C)c2)CC1=O ZINC000105317889 543170979 /nfs/dbraw/zinc/17/09/79/543170979.db2.gz WIJUEKOCEMCNBH-MJGOQNOKSA-N 1 3 372.513 2.020 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc(CN(C)C)c2)CC1=O ZINC000105317889 543170981 /nfs/dbraw/zinc/17/09/81/543170981.db2.gz WIJUEKOCEMCNBH-MJGOQNOKSA-N 1 3 372.513 2.020 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106540153 543235867 /nfs/dbraw/zinc/23/58/67/543235867.db2.gz RBBHLODKWWZHKP-RBUKOAKNSA-N 1 3 358.530 2.475 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106540153 543235870 /nfs/dbraw/zinc/23/58/70/543235870.db2.gz RBBHLODKWWZHKP-RBUKOAKNSA-N 1 3 358.530 2.475 20 0 FEADHO CN(CCn1cccn1)Cc1cccc(C[N@H+](C)CCn2cccn2)c1 ZINC000111283602 543392309 /nfs/dbraw/zinc/39/23/09/543392309.db2.gz VDGRGMHPBFKQAZ-UHFFFAOYSA-N 1 3 352.486 2.344 20 0 FEADHO CN(CCn1cccn1)Cc1cccc(C[N@@H+](C)CCn2cccn2)c1 ZINC000111283602 543392311 /nfs/dbraw/zinc/39/23/11/543392311.db2.gz VDGRGMHPBFKQAZ-UHFFFAOYSA-N 1 3 352.486 2.344 20 0 FEADHO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000118115071 543646654 /nfs/dbraw/zinc/64/66/54/543646654.db2.gz WELPVLKQKSIIMA-UHFFFAOYSA-N 1 3 374.529 2.459 20 0 FEADHO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000118115071 543646656 /nfs/dbraw/zinc/64/66/56/543646656.db2.gz WELPVLKQKSIIMA-UHFFFAOYSA-N 1 3 374.529 2.459 20 0 FEADHO CCc1nc2c(s1)[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)CCC2 ZINC000128067656 544030864 /nfs/dbraw/zinc/03/08/64/544030864.db2.gz GTFPQUANZODNFX-UONOGXRCSA-N 1 3 350.532 2.260 20 0 FEADHO C[C@H](c1cccnc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127503631 543997283 /nfs/dbraw/zinc/99/72/83/543997283.db2.gz QGZGARUMEXJKKZ-MRXNPFEDSA-N 1 3 359.518 2.343 20 0 FEADHO CCc1noc(CC)c1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000130546676 544155405 /nfs/dbraw/zinc/15/54/05/544155405.db2.gz GVPYVATVFSTHNO-UHFFFAOYSA-N 1 3 362.518 2.017 20 0 FEADHO CN(C)CCN1CCC([NH2+]C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000150948057 544489412 /nfs/dbraw/zinc/48/94/12/544489412.db2.gz XNCBCPKQNSIUBI-UHFFFAOYSA-N 1 3 362.537 2.406 20 0 FEADHO COc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1Cn1cccn1 ZINC000151375567 544534192 /nfs/dbraw/zinc/53/41/92/544534192.db2.gz YUFKTOARDRGCBF-QGZVFWFLSA-N 1 3 372.513 2.437 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC000152228151 544627811 /nfs/dbraw/zinc/62/78/11/544627811.db2.gz YOUHIFIJDSEJJB-HKUYNNGSSA-N 1 3 358.530 2.352 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000152770693 544693801 /nfs/dbraw/zinc/69/38/01/544693801.db2.gz PMTYCJVTELPQMY-IBGZPJMESA-N 1 3 358.530 2.013 20 0 FEADHO C[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)N1CCCCCC1 ZINC000154413725 544903475 /nfs/dbraw/zinc/90/34/75/544903475.db2.gz IUQZMLUGIFGVEN-WRURNZQNSA-N 1 3 362.562 2.020 20 0 FEADHO C[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)N1CCCCCC1 ZINC000154413725 544903478 /nfs/dbraw/zinc/90/34/78/544903478.db2.gz IUQZMLUGIFGVEN-WRURNZQNSA-N 1 3 362.562 2.020 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@H](C)Cn2cc(Br)cn2)CC1 ZINC000154492658 544912344 /nfs/dbraw/zinc/91/23/44/544912344.db2.gz VLYPRUJIXYMUSF-OAHLLOKOSA-N 1 3 372.355 2.041 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1(C)C ZINC000188039956 328062089 /nfs/dbraw/zinc/06/20/89/328062089.db2.gz UFXWVXWJFIFMAY-WIYYLYMNSA-N 1 3 359.514 2.431 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1(C)C ZINC000188041110 328062187 /nfs/dbraw/zinc/06/21/87/328062187.db2.gz OOEZFVXJQAKQNJ-NQIIRXRSSA-N 1 3 359.514 2.431 20 0 FEADHO CC[C@]1(CO)CCCN1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000189613779 328158224 /nfs/dbraw/zinc/15/82/24/328158224.db2.gz QZHRYVZYBWYOKD-JOCHJYFZSA-N 1 3 373.541 2.313 20 0 FEADHO COC(=O)C1CCC([NH2+]Cc2ccccc2CN2CCC(O)CC2)CC1 ZINC000192444246 328319116 /nfs/dbraw/zinc/31/91/16/328319116.db2.gz WPDOXHWAYYPWMJ-UHFFFAOYSA-N 1 3 360.498 2.465 20 0 FEADHO CCCCCNC(=O)C1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000192721130 328335352 /nfs/dbraw/zinc/33/53/52/328335352.db2.gz FOPYNOWAETZSLU-UHFFFAOYSA-N 1 3 366.594 2.421 20 0 FEADHO COc1ccccc1CN1CCN(CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000192732108 328336053 /nfs/dbraw/zinc/33/60/53/328336053.db2.gz VIEAIGRTUMPBQP-UHFFFAOYSA-N 1 3 374.573 2.229 20 0 FEADHO COc1ccccc1COC[C@@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193080918 328356140 /nfs/dbraw/zinc/35/61/40/328356140.db2.gz ARJFSNZVAIYNRO-FQEVSTJZSA-N 1 3 362.514 2.381 20 0 FEADHO C[C@@]1(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCCC[NH2+]1 ZINC000237578279 328520912 /nfs/dbraw/zinc/52/09/12/328520912.db2.gz PDEAWWNDELGIRG-NRFANRHFSA-N 1 3 358.530 2.237 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)C[NH+]3CCCCC3)cc2)CC1 ZINC000118769984 326101118 /nfs/dbraw/zinc/10/11/18/326101118.db2.gz CQFDXTKDTOUWCY-SFHVURJKSA-N 1 3 358.530 2.433 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000245969846 328581984 /nfs/dbraw/zinc/58/19/84/328581984.db2.gz ZOIPVVDIXPWPJA-IPMKNSEASA-N 1 3 357.498 2.025 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000120687057 326278902 /nfs/dbraw/zinc/27/89/02/326278902.db2.gz YIVIFCHOTVGWIU-RSPOEFSDSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000120687057 326278906 /nfs/dbraw/zinc/27/89/06/326278906.db2.gz YIVIFCHOTVGWIU-RSPOEFSDSA-N 1 3 356.514 2.433 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000120808640 326289876 /nfs/dbraw/zinc/28/98/76/326289876.db2.gz CUBLUYPUYABFNS-QGZVFWFLSA-N 1 3 362.518 2.158 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000120808640 326289878 /nfs/dbraw/zinc/28/98/78/326289878.db2.gz CUBLUYPUYABFNS-QGZVFWFLSA-N 1 3 362.518 2.158 20 0 FEADHO CN(C)CCN(C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC000162875694 327036899 /nfs/dbraw/zinc/03/68/99/327036899.db2.gz GIYWSTYSYGSPST-UHFFFAOYSA-N 1 3 360.502 2.020 20 0 FEADHO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168894652 327087664 /nfs/dbraw/zinc/08/76/64/327087664.db2.gz QGULQHBMUUKOCD-UTKZUKDTSA-N 1 3 363.521 2.429 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000171899289 327168207 /nfs/dbraw/zinc/16/82/07/327168207.db2.gz ZLYCMTUOLGFXRO-FQEVSTJZSA-N 1 3 374.529 2.192 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000173337643 327250640 /nfs/dbraw/zinc/25/06/40/327250640.db2.gz KPUUNENKLDTVIJ-SFHVURJKSA-N 1 3 372.513 2.021 20 0 FEADHO O[C@@H](COCc1ccccc1)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173950727 327296989 /nfs/dbraw/zinc/29/69/89/327296989.db2.gz CGCVKLPCHBEPPM-HXUWFJFHSA-N 1 3 362.514 2.141 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173953745 327297490 /nfs/dbraw/zinc/29/74/90/327297490.db2.gz RLLGBLUNXMBLRU-HZPDHXFCSA-N 1 3 364.538 2.323 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174215353 327313621 /nfs/dbraw/zinc/31/36/21/327313621.db2.gz RJGHDAXVKGELJA-GOSISDBHSA-N 1 3 374.529 2.254 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2OCCN(C)C)CC[N@@H+]1C ZINC000174439069 327327271 /nfs/dbraw/zinc/32/72/71/327327271.db2.gz FZIYXGMSSGUQRF-AEFFLSMTSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2OCCN(C)C)CC[N@H+]1C ZINC000174439069 327327273 /nfs/dbraw/zinc/32/72/73/327327273.db2.gz FZIYXGMSSGUQRF-AEFFLSMTSA-N 1 3 362.518 2.251 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnn(CC(F)F)c1 ZINC000174838803 327354428 /nfs/dbraw/zinc/35/44/28/327354428.db2.gz NLXSIZUHKHHPNU-HNNXBMFYSA-N 1 3 372.464 2.028 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnn(CC(F)F)c1 ZINC000174838803 327354429 /nfs/dbraw/zinc/35/44/29/327354429.db2.gz NLXSIZUHKHHPNU-HNNXBMFYSA-N 1 3 372.464 2.028 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000175733412 327409535 /nfs/dbraw/zinc/40/95/35/327409535.db2.gz WUNURZKIHIEGSH-QZTJIDSGSA-N 1 3 362.518 2.299 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000175952059 327423777 /nfs/dbraw/zinc/42/37/77/327423777.db2.gz TVHXCDBRHXOWIE-UHFFFAOYSA-N 1 3 360.502 2.066 20 0 FEADHO CN(c1ccccc1C[NH2+][C@@H]1CCC[C@@H](C(N)=O)C1)C1CCN(C)CC1 ZINC000246489428 328621169 /nfs/dbraw/zinc/62/11/69/328621169.db2.gz NOMJSOULVSACCN-SJLPKXTDSA-N 1 3 358.530 2.351 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000266822293 329263173 /nfs/dbraw/zinc/26/31/73/329263173.db2.gz FZQAULQZUZRXNZ-UYAOXDASSA-N 1 3 358.530 2.140 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000266822293 329263175 /nfs/dbraw/zinc/26/31/75/329263175.db2.gz FZQAULQZUZRXNZ-UYAOXDASSA-N 1 3 358.530 2.140 20 0 FEADHO C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000267021617 329283987 /nfs/dbraw/zinc/28/39/87/329283987.db2.gz PPLSIVKCUHMVFW-JTSKRJEESA-N 1 3 373.541 2.216 20 0 FEADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267365396 329319393 /nfs/dbraw/zinc/31/93/93/329319393.db2.gz FFJBVOXZUKJDMX-PZJWPPBQSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267365396 329319395 /nfs/dbraw/zinc/31/93/95/329319395.db2.gz FFJBVOXZUKJDMX-PZJWPPBQSA-N 1 3 372.557 2.041 20 0 FEADHO CCO[C@H](CCN(C)C)C[NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000273565313 329875255 /nfs/dbraw/zinc/87/52/55/329875255.db2.gz JHGATYJTALXDPQ-DLBZAZTESA-N 1 3 356.532 2.104 20 0 FEADHO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)cn1 ZINC000414083048 330260171 /nfs/dbraw/zinc/26/01/71/330260171.db2.gz VPXXLIKOSOTBSK-INIZCTEOSA-N 1 3 370.497 2.102 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000555414760 674360147 /nfs/dbraw/zinc/36/01/47/674360147.db2.gz HAQWTMZYXUKAEP-UHFFFAOYSA-N 1 3 353.532 2.293 20 0 FEADHO C[C@H](CCNS(=O)(=O)c1ccc(CN(C)C)cc1)[NH+]1CCCCC1 ZINC000477467844 561145766 /nfs/dbraw/zinc/14/57/66/561145766.db2.gz JZPVVAISJLKLNA-MRXNPFEDSA-N 1 3 353.532 2.291 20 0 FEADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C[C@H](C)O1 ZINC000177492198 546630323 /nfs/dbraw/zinc/63/03/23/546630323.db2.gz YJSYJTOWRLCFIH-IRXDYDNUSA-N 1 3 359.514 2.497 20 0 FEADHO C[C@H](CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000481036935 561223418 /nfs/dbraw/zinc/22/34/18/561223418.db2.gz OPRROFTWSRVNMC-CRAIPNDOSA-N 1 3 350.482 2.460 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000177856271 546697158 /nfs/dbraw/zinc/69/71/58/546697158.db2.gz IAKSDEMXJXNFOV-KRWDZBQOSA-N 1 3 368.591 2.331 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000177856271 546697160 /nfs/dbraw/zinc/69/71/60/546697160.db2.gz IAKSDEMXJXNFOV-KRWDZBQOSA-N 1 3 368.591 2.331 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)C[C@H](C)O1 ZINC000178856799 546862157 /nfs/dbraw/zinc/86/21/57/546862157.db2.gz ULPGEIUDWVVLQM-UEXGIBASSA-N 1 3 373.541 2.467 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]CC2(N3CCCC3)CCOCC2)[C@H](C)C1 ZINC000482568172 561256214 /nfs/dbraw/zinc/25/62/14/561256214.db2.gz WBBCCEHLAYILRY-WOJBJXKFSA-N 1 3 367.578 2.358 20 0 FEADHO CN(C)CCOC1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000483168591 561269426 /nfs/dbraw/zinc/26/94/26/561269426.db2.gz MRPHXAJVCRJZJZ-KRWDZBQOSA-N 1 3 351.535 2.210 20 0 FEADHO CN(C)CCOC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000483168591 561269427 /nfs/dbraw/zinc/26/94/27/561269427.db2.gz MRPHXAJVCRJZJZ-KRWDZBQOSA-N 1 3 351.535 2.210 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(OC)CCCCC1 ZINC000483367395 561275028 /nfs/dbraw/zinc/27/50/28/561275028.db2.gz PLICYJBANTYJFP-GOSISDBHSA-N 1 3 368.566 2.393 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(OC)CCCCC1 ZINC000483367395 561275029 /nfs/dbraw/zinc/27/50/29/561275029.db2.gz PLICYJBANTYJFP-GOSISDBHSA-N 1 3 368.566 2.393 20 0 FEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000483617789 561280779 /nfs/dbraw/zinc/28/07/79/561280779.db2.gz CNXRXADARNTUFA-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO C[NH+](C)[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000483830098 561284727 /nfs/dbraw/zinc/28/47/27/561284727.db2.gz NSJNLQFIQWRLLY-QGZVFWFLSA-N 1 3 368.591 2.474 20 0 FEADHO C[C@@H](CCNC(=O)N(CCN(C)C)Cc1ccccn1)[NH+]1CCCCC1 ZINC000182678813 547532668 /nfs/dbraw/zinc/53/26/68/547532668.db2.gz XAFGDTIBXWXBKP-SFHVURJKSA-N 1 3 361.534 2.419 20 0 FEADHO CCN1CCN(C(=O)[C@@H](C)N2CCC(CCC[NH+](CC)CC)CC2)CC1 ZINC000182762186 547548887 /nfs/dbraw/zinc/54/88/87/547548887.db2.gz BDSDJSHLSNRAFG-LJQANCHMSA-N 1 3 366.594 2.373 20 0 FEADHO CC[NH+](CC)CCCC1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000182761286 547548917 /nfs/dbraw/zinc/54/89/17/547548917.db2.gz ACHOTAOTPSEZHX-UHFFFAOYSA-N 1 3 352.523 2.151 20 0 FEADHO CCC[C@@H]1C[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000183530739 547675983 /nfs/dbraw/zinc/67/59/83/547675983.db2.gz LEKJAJSCNMKJFM-VQIMIIECSA-N 1 3 351.535 2.257 20 0 FEADHO C[NH+](C)CCOC1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000485116513 561312956 /nfs/dbraw/zinc/31/29/56/561312956.db2.gz GWPMSYJVFUCBCN-FQEVSTJZSA-N 1 3 359.514 2.220 20 0 FEADHO CN1CCN(CCC(C)(C)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000185403792 547979847 /nfs/dbraw/zinc/97/98/47/547979847.db2.gz IHVADBWOAXTDIV-QGZVFWFLSA-N 1 3 369.598 2.068 20 0 FEADHO CCCN1CCC([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000186039928 548076784 /nfs/dbraw/zinc/07/67/84/548076784.db2.gz ZAZJFKKPUCOHKB-UHFFFAOYSA-N 1 3 351.516 2.191 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)CCN(C)C2CC2)CC1 ZINC000186745540 548184132 /nfs/dbraw/zinc/18/41/32/548184132.db2.gz KUOVHBAPZRZXHW-UHFFFAOYSA-N 1 3 372.557 2.102 20 0 FEADHO O=C(CN1CCCN(C2CC2)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000195336643 548626887 /nfs/dbraw/zinc/62/68/87/548626887.db2.gz AYKZEOBRLJBGQU-UHFFFAOYSA-N 1 3 370.541 2.069 20 0 FEADHO CC(C)(C[NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000236602521 548768052 /nfs/dbraw/zinc/76/80/52/548768052.db2.gz PQGXUZPEUVJUJV-UHFFFAOYSA-N 1 3 353.894 2.284 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)C3(C[NH3+])CCCC3)CC2)C[C@H](C)O1 ZINC000237604862 548838461 /nfs/dbraw/zinc/83/84/61/548838461.db2.gz AYQMTOUCFCFDEY-CALCHBBNSA-N 1 3 351.535 2.243 20 0 FEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000245398473 548906892 /nfs/dbraw/zinc/90/68/92/548906892.db2.gz SSUBTUMWCKBZRC-BZSNNMDCSA-N 1 3 368.566 2.248 20 0 FEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000245398473 548906898 /nfs/dbraw/zinc/90/68/98/548906898.db2.gz SSUBTUMWCKBZRC-BZSNNMDCSA-N 1 3 368.566 2.248 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1[C@H](C)CC[C@@H]1C ZINC000245745137 548987200 /nfs/dbraw/zinc/98/72/00/548987200.db2.gz FTIAUOKRVLGBFU-LHHMMCJZSA-N 1 3 351.535 2.132 20 0 FEADHO CC(C)N1CC[C@H](N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000246098452 549051265 /nfs/dbraw/zinc/05/12/65/549051265.db2.gz APWSZXVUUQYJEZ-SCTDSRPQSA-N 1 3 351.535 2.207 20 0 FEADHO CC(C)N1CC[C@H](N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000246098452 549051268 /nfs/dbraw/zinc/05/12/68/549051268.db2.gz APWSZXVUUQYJEZ-SCTDSRPQSA-N 1 3 351.535 2.207 20 0 FEADHO CC(C)C[C@H](CNC(=O)[C@H]1CN2CCN1CCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000488279342 561387322 /nfs/dbraw/zinc/38/73/22/561387322.db2.gz JRXILZWMXCTEQB-CEWLAPEOSA-N 1 3 372.557 2.258 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc(CN(C)C)c2)CC1=O ZINC000246529480 549154857 /nfs/dbraw/zinc/15/48/57/549154857.db2.gz WIJUEKOCEMCNBH-PKOBYXMFSA-N 1 3 372.513 2.020 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc(CN(C)C)c2)CC1=O ZINC000246529480 549154861 /nfs/dbraw/zinc/15/48/61/549154861.db2.gz WIJUEKOCEMCNBH-PKOBYXMFSA-N 1 3 372.513 2.020 20 0 FEADHO CN1CCC[C@@H](CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000247035172 549270716 /nfs/dbraw/zinc/27/07/16/549270716.db2.gz DZOGVXGPXGLMJQ-VQTJNVASSA-N 1 3 358.530 2.192 20 0 FEADHO CN1CCC[C@@H](CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000247035172 549270720 /nfs/dbraw/zinc/27/07/20/549270720.db2.gz DZOGVXGPXGLMJQ-VQTJNVASSA-N 1 3 358.530 2.192 20 0 FEADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000489070730 561402646 /nfs/dbraw/zinc/40/26/46/561402646.db2.gz LDBJHLVGNQQIEP-CTNGQTDRSA-N 1 3 356.514 2.388 20 0 FEADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000489070730 561402647 /nfs/dbraw/zinc/40/26/47/561402647.db2.gz LDBJHLVGNQQIEP-CTNGQTDRSA-N 1 3 356.514 2.388 20 0 FEADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000489070735 561402749 /nfs/dbraw/zinc/40/27/49/561402749.db2.gz LDBJHLVGNQQIEP-PZJWPPBQSA-N 1 3 356.514 2.388 20 0 FEADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000489070735 561402750 /nfs/dbraw/zinc/40/27/50/561402750.db2.gz LDBJHLVGNQQIEP-PZJWPPBQSA-N 1 3 356.514 2.388 20 0 FEADHO COc1cccc(COC[C@H](O)C[N@H+](C)CC[C@@H]2CCCCN2C)c1 ZINC000247643862 549368063 /nfs/dbraw/zinc/36/80/63/549368063.db2.gz UBPWXJFOJJULPI-RBUKOAKNSA-N 1 3 350.503 2.379 20 0 FEADHO COc1cccc(COC[C@H](O)C[N@@H+](C)CC[C@@H]2CCCCN2C)c1 ZINC000247643862 549368066 /nfs/dbraw/zinc/36/80/66/549368066.db2.gz UBPWXJFOJJULPI-RBUKOAKNSA-N 1 3 350.503 2.379 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000249483047 549595075 /nfs/dbraw/zinc/59/50/75/549595075.db2.gz XNASDYDYZBNGFW-YRXWBPOGSA-N 1 3 353.551 2.218 20 0 FEADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000489801529 561419349 /nfs/dbraw/zinc/41/93/49/561419349.db2.gz PCJGYDVNAFPLKI-SFHVURJKSA-N 1 3 362.493 2.068 20 0 FEADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CN3CCN2CCC3)c1 ZINC000490144757 561427616 /nfs/dbraw/zinc/42/76/16/561427616.db2.gz YUAUYHFMQQHPSG-NRFANRHFSA-N 1 3 372.557 2.315 20 0 FEADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CN3CCN2CCC3)c1 ZINC000490144757 561427617 /nfs/dbraw/zinc/42/76/17/561427617.db2.gz YUAUYHFMQQHPSG-NRFANRHFSA-N 1 3 372.557 2.315 20 0 FEADHO N[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C1CCOCC1 ZINC000261838033 549761310 /nfs/dbraw/zinc/76/13/10/549761310.db2.gz QJJFCXZFWYLMOR-FQEVSTJZSA-N 1 3 359.514 2.433 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000261862433 549763384 /nfs/dbraw/zinc/76/33/84/549763384.db2.gz WZLYBKCNBRGRHT-HNAYVOBHSA-N 1 3 363.477 2.303 20 0 FEADHO CCc1cccc(OCCN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261868152 549763882 /nfs/dbraw/zinc/76/38/82/549763882.db2.gz NVMLVZMWOYNPOS-UYAOXDASSA-N 1 3 359.514 2.208 20 0 FEADHO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)O1 ZINC000261899239 549767930 /nfs/dbraw/zinc/76/79/30/549767930.db2.gz WIVBBMKLOXRXPM-DYXWJJEUSA-N 1 3 357.498 2.007 20 0 FEADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000262251886 549802097 /nfs/dbraw/zinc/80/20/97/549802097.db2.gz DPGMNKRRRQTGMH-LSDHHAIUSA-N 1 3 373.501 2.358 20 0 FEADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@@H](C)C1 ZINC000490366499 561431820 /nfs/dbraw/zinc/43/18/20/561431820.db2.gz JTZFMWJELQKDNR-MLHJIOFPSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@@H](C)C1 ZINC000490366499 561431821 /nfs/dbraw/zinc/43/18/21/561431821.db2.gz JTZFMWJELQKDNR-MLHJIOFPSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000271838757 550405511 /nfs/dbraw/zinc/40/55/11/550405511.db2.gz FWOGCTLFXNDICA-MRXNPFEDSA-N 1 3 357.502 2.168 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000271838757 550405513 /nfs/dbraw/zinc/40/55/13/550405513.db2.gz FWOGCTLFXNDICA-MRXNPFEDSA-N 1 3 357.502 2.168 20 0 FEADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000271888019 550408787 /nfs/dbraw/zinc/40/87/87/550408787.db2.gz VHOTVHOBNLGVFO-INIZCTEOSA-N 1 3 353.532 2.497 20 0 FEADHO CN1C(=O)CCc2cc(C[NH2+]C3CCN([C@H]4CCC[C@H]4O)CC3)ccc21 ZINC000274790483 550554779 /nfs/dbraw/zinc/55/47/79/550554779.db2.gz MKPOMPNZKOHRDG-VQTJNVASSA-N 1 3 357.498 2.063 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)COc2ccccc2C)[C@@H](C)C1 ZINC000274813941 550556885 /nfs/dbraw/zinc/55/68/85/550556885.db2.gz FAPYJZNIJQOFCY-ZCNNSNEGSA-N 1 3 364.530 2.461 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)COc2ccccc2C)[C@@H](C)C1 ZINC000274813941 550556886 /nfs/dbraw/zinc/55/68/86/550556886.db2.gz FAPYJZNIJQOFCY-ZCNNSNEGSA-N 1 3 364.530 2.461 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)c2)CC1 ZINC000274818495 550557055 /nfs/dbraw/zinc/55/70/55/550557055.db2.gz NXFAMQZIQROGQG-PXNSSMCTSA-N 1 3 371.529 2.386 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)c2)CC1 ZINC000274818495 550557056 /nfs/dbraw/zinc/55/70/56/550557056.db2.gz NXFAMQZIQROGQG-PXNSSMCTSA-N 1 3 371.529 2.386 20 0 FEADHO CN(C)CCN(Cc1ccco1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276955457 550615063 /nfs/dbraw/zinc/61/50/63/550615063.db2.gz WBDLZIWCNXVGLG-UHFFFAOYSA-N 1 3 350.507 2.475 20 0 FEADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279066027 550852598 /nfs/dbraw/zinc/85/25/98/550852598.db2.gz SXBOMJJADYUBHL-QFBILLFUSA-N 1 3 353.470 2.054 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279103717 550854431 /nfs/dbraw/zinc/85/44/31/550854431.db2.gz XPSFNKUTHHKGGA-NXHRZFHOSA-N 1 3 367.497 2.127 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000279886316 550939402 /nfs/dbraw/zinc/93/94/02/550939402.db2.gz GXKJNSLRPDWGGR-GDBMZVCRSA-N 1 3 358.511 2.285 20 0 FEADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000282421913 551226632 /nfs/dbraw/zinc/22/66/32/551226632.db2.gz STCAFQLXHVMBCS-TZIWHRDSSA-N 1 3 374.573 2.064 20 0 FEADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282464164 551232932 /nfs/dbraw/zinc/23/29/32/551232932.db2.gz VWCYYGZTXLOVGX-HXUWFJFHSA-N 1 3 370.545 2.334 20 0 FEADHO CN(CCN1CCCC1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000497784611 561508799 /nfs/dbraw/zinc/50/87/99/561508799.db2.gz WAHGDNMCLVJEPL-UHFFFAOYSA-N 1 3 358.530 2.431 20 0 FEADHO CCCC[C@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000498077723 561515623 /nfs/dbraw/zinc/51/56/23/561515623.db2.gz QQDODCWMIXOACA-SFHVURJKSA-N 1 3 351.466 2.303 20 0 FEADHO N[C@@H](CC(F)F)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000498207023 561518642 /nfs/dbraw/zinc/51/86/42/561518642.db2.gz SPKWNNJEKKSOIE-LPHOPBHVSA-N 1 3 351.441 2.484 20 0 FEADHO N[C@@H](CC(F)F)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000498207023 561518643 /nfs/dbraw/zinc/51/86/43/561518643.db2.gz SPKWNNJEKKSOIE-LPHOPBHVSA-N 1 3 351.441 2.484 20 0 FEADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000285135387 551709576 /nfs/dbraw/zinc/70/95/76/551709576.db2.gz QLDJVOBZVSLDOP-IRXDYDNUSA-N 1 3 351.441 2.212 20 0 FEADHO C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000285135387 551709578 /nfs/dbraw/zinc/70/95/78/551709578.db2.gz QLDJVOBZVSLDOP-IRXDYDNUSA-N 1 3 351.441 2.212 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1csc(CC[NH3+])n1 ZINC000286206130 551861215 /nfs/dbraw/zinc/86/12/15/551861215.db2.gz SJHTZCZIISCHQC-UHFFFAOYSA-N 1 3 368.453 2.127 20 0 FEADHO C[NH+]1CCC(O)(CNCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000286645612 551909956 /nfs/dbraw/zinc/90/99/56/551909956.db2.gz UAJCKNUPFFHBRH-UHFFFAOYSA-N 1 3 368.403 2.437 20 0 FEADHO C[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000287087345 551961933 /nfs/dbraw/zinc/96/19/33/551961933.db2.gz PEIGGUNQPKGJRV-HZPDHXFCSA-N 1 3 354.516 2.102 20 0 FEADHO C[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000287087341 551961987 /nfs/dbraw/zinc/96/19/87/551961987.db2.gz PEIGGUNQPKGJRV-CVEARBPZSA-N 1 3 354.516 2.102 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000287420680 552001846 /nfs/dbraw/zinc/00/18/46/552001846.db2.gz KMZLCXQTOAKFOK-GOSISDBHSA-N 1 3 374.529 2.443 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000287420680 552001847 /nfs/dbraw/zinc/00/18/47/552001847.db2.gz KMZLCXQTOAKFOK-GOSISDBHSA-N 1 3 374.529 2.443 20 0 FEADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000290041386 552418532 /nfs/dbraw/zinc/41/85/32/552418532.db2.gz DLXXZICIFXAPQI-LEWJYISDSA-N 1 3 372.557 2.339 20 0 FEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000290063367 552421822 /nfs/dbraw/zinc/42/18/22/552421822.db2.gz HUVBLRLAZCCBGI-HKBOAZHASA-N 1 3 373.541 2.182 20 0 FEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000500855403 561584307 /nfs/dbraw/zinc/58/43/07/561584307.db2.gz ARWRTQAWIYTJPO-KRWDZBQOSA-N 1 3 368.566 2.440 20 0 FEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000500855403 561584308 /nfs/dbraw/zinc/58/43/08/561584308.db2.gz ARWRTQAWIYTJPO-KRWDZBQOSA-N 1 3 368.566 2.440 20 0 FEADHO CN(C)CC1(C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CCCC1 ZINC000290812849 552542466 /nfs/dbraw/zinc/54/24/66/552542466.db2.gz WKJJHNRNECVGJP-GOSISDBHSA-N 1 3 365.543 2.423 20 0 FEADHO COc1cc(CN2CCC(CO)CC2)cc(C[NH+]2CCC(CO)CC2)c1 ZINC000292666251 552747836 /nfs/dbraw/zinc/74/78/36/552747836.db2.gz QBYDIWGRGYZZQY-UHFFFAOYSA-N 1 3 362.514 2.104 20 0 FEADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000294440040 552906381 /nfs/dbraw/zinc/90/63/81/552906381.db2.gz XTOUPTGPFDBFFB-INIZCTEOSA-N 1 3 355.482 2.404 20 0 FEADHO COc1ccc(C[NH+]2CCC(CNCc3ccnc(OC)n3)CC2)cc1 ZINC000294946839 552946374 /nfs/dbraw/zinc/94/63/74/552946374.db2.gz FEJDFOJTPWSACO-UHFFFAOYSA-N 1 3 356.470 2.496 20 0 FEADHO CCO[C@H]1C[C@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)C12CCCCC2 ZINC000502845603 561627447 /nfs/dbraw/zinc/62/74/47/561627447.db2.gz WFQYOXFIBIGIJZ-OALUTQOASA-N 1 3 363.546 2.447 20 0 FEADHO C[C@@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)CCN(C2CC2)C1 ZINC000297244110 553268377 /nfs/dbraw/zinc/26/83/77/553268377.db2.gz OALYIUUVDKUJNB-KRWDZBQOSA-N 1 3 374.529 2.253 20 0 FEADHO C[C@@H](CCNC(=O)Nc1ccnn1CCN(C)C)[N@H+](C)Cc1ccccc1 ZINC000297585459 553312120 /nfs/dbraw/zinc/31/21/20/553312120.db2.gz YYNODUYLWWVVSH-KRWDZBQOSA-N 1 3 372.517 2.477 20 0 FEADHO C[C@@H](CCNC(=O)Nc1ccnn1CCN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000297585459 553312121 /nfs/dbraw/zinc/31/21/21/553312121.db2.gz YYNODUYLWWVVSH-KRWDZBQOSA-N 1 3 372.517 2.477 20 0 FEADHO COC(=O)[C@]1(C)CN(CC[C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@H]1C ZINC000503200732 561636404 /nfs/dbraw/zinc/63/64/04/561636404.db2.gz ZRCNLQPCHRYYTO-AOHSKODXSA-N 1 3 368.518 2.027 20 0 FEADHO COC(=O)[C@]1(C)CN(CC[C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@H]1C ZINC000503200732 561636405 /nfs/dbraw/zinc/63/64/05/561636405.db2.gz ZRCNLQPCHRYYTO-AOHSKODXSA-N 1 3 368.518 2.027 20 0 FEADHO COC(=O)[C@]1(C)CN([C@@H](C)CC[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@H]1C ZINC000503200732 561636406 /nfs/dbraw/zinc/63/64/06/561636406.db2.gz ZRCNLQPCHRYYTO-AOHSKODXSA-N 1 3 368.518 2.027 20 0 FEADHO COC(=O)[C@]1(C)CN([C@@H](C)CC[N@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@H]1C ZINC000503200732 561636407 /nfs/dbraw/zinc/63/64/07/561636407.db2.gz ZRCNLQPCHRYYTO-AOHSKODXSA-N 1 3 368.518 2.027 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)[C@H]1SC ZINC000298500827 553432957 /nfs/dbraw/zinc/43/29/57/553432957.db2.gz QJQAPSAVQRJYMW-IPMKNSEASA-N 1 3 364.559 2.092 20 0 FEADHO CN(C)C(=O)COc1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298571376 553442084 /nfs/dbraw/zinc/44/20/84/553442084.db2.gz WZYICRRHLANKAR-UHFFFAOYSA-N 1 3 368.481 2.307 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000298677646 553457649 /nfs/dbraw/zinc/45/76/49/553457649.db2.gz UWBSFTDBOPSYQC-MOPGFXCFSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000298677646 553457650 /nfs/dbraw/zinc/45/76/50/553457650.db2.gz UWBSFTDBOPSYQC-MOPGFXCFSA-N 1 3 360.502 2.053 20 0 FEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(=O)OC)s1 ZINC000299717929 553606666 /nfs/dbraw/zinc/60/66/66/553606666.db2.gz LKGFUPSIMFYWBZ-AWEZNQCLSA-N 1 3 367.515 2.023 20 0 FEADHO Cc1cnc(N(C)C[C@H]2CCCN(C)C2)nc1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000301572721 553661922 /nfs/dbraw/zinc/66/19/22/553661922.db2.gz ORUGUAHWQIIKBQ-OALUTQOASA-N 1 3 374.577 2.341 20 0 FEADHO Cc1cnc(N(C)C[C@H]2CCCN(C)C2)nc1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000301572721 553661923 /nfs/dbraw/zinc/66/19/23/553661923.db2.gz ORUGUAHWQIIKBQ-OALUTQOASA-N 1 3 374.577 2.341 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(C(=O)NC)CC2)CC1 ZINC000506267349 561694471 /nfs/dbraw/zinc/69/44/71/561694471.db2.gz IIJSGZQUTBZZHI-UHFFFAOYSA-N 1 3 358.530 2.177 20 0 FEADHO O=C1CC[C@@H](N[C@@H]2CCc3cc(F)c(F)c(F)c32)[C@H](C2CC[NH2+]CC2)N1 ZINC000333284598 554598743 /nfs/dbraw/zinc/59/87/43/554598743.db2.gz NAYGTDNXYJDLFG-LPMFXHHGSA-N 1 3 367.415 2.328 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000333400887 554609643 /nfs/dbraw/zinc/60/96/43/554609643.db2.gz PYAGJHJBLDORJT-JUSBFGHESA-N 1 3 356.514 2.276 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NCC2(N3CCSCC3)CCCCC2)CC[NH2+]1 ZINC000333437344 554613028 /nfs/dbraw/zinc/61/30/28/554613028.db2.gz VNUQNYWFRPDSHY-JKSUJKDBSA-N 1 3 354.564 2.178 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000333753276 554639335 /nfs/dbraw/zinc/63/93/35/554639335.db2.gz ZIGSMENBGMRDRY-BHIYHBOVSA-N 1 3 359.518 2.076 20 0 FEADHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC3CCN(Cc4cccs4)CC3)C[C@@H]12 ZINC000333858586 554650059 /nfs/dbraw/zinc/65/00/59/554650059.db2.gz YUQLOTASFHODDV-CGTJXYLNSA-N 1 3 362.543 2.339 20 0 FEADHO CC(C)OCCN1CCC([NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000361240133 554911995 /nfs/dbraw/zinc/91/19/95/554911995.db2.gz DSRRCADYWLOESG-HLAWJBBLSA-N 1 3 367.578 2.355 20 0 FEADHO C[NH+]1CCC(CCNC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000361516284 554923499 /nfs/dbraw/zinc/92/34/99/554923499.db2.gz WDEQLEXGAFDSOV-HXUWFJFHSA-N 1 3 373.545 2.325 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)C1 ZINC000361703039 554930504 /nfs/dbraw/zinc/93/05/04/554930504.db2.gz YZBHQFPYSKXOJW-FCGDIQPGSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)C1 ZINC000361703039 554930503 /nfs/dbraw/zinc/93/05/03/554930503.db2.gz YZBHQFPYSKXOJW-FCGDIQPGSA-N 1 3 350.551 2.480 20 0 FEADHO COC[C@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)c(F)c1 ZINC000361997025 554942747 /nfs/dbraw/zinc/94/27/47/554942747.db2.gz MRFOLKJSPOGFRL-KXBFYZLASA-N 1 3 353.457 2.410 20 0 FEADHO COC(=O)c1ccnc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000362302049 554961514 /nfs/dbraw/zinc/96/15/14/554961514.db2.gz AXXMAPTXJWTFBD-ZWKOTPCHSA-N 1 3 358.486 2.053 20 0 FEADHO COC(=O)c1ccnc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000362302049 554961516 /nfs/dbraw/zinc/96/15/16/554961516.db2.gz AXXMAPTXJWTFBD-ZWKOTPCHSA-N 1 3 358.486 2.053 20 0 FEADHO COC(=O)c1ccnc(N2CCC([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)c1 ZINC000362302049 554961517 /nfs/dbraw/zinc/96/15/17/554961517.db2.gz AXXMAPTXJWTFBD-ZWKOTPCHSA-N 1 3 358.486 2.053 20 0 FEADHO C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](N3CC=CC3)C2)[C@H]1c1cccs1 ZINC000363494161 555120020 /nfs/dbraw/zinc/12/00/20/555120020.db2.gz ZJIMIVRRLXYRJY-NUJGCVRESA-N 1 3 360.527 2.397 20 0 FEADHO CN(C)Cc1cnc(CNCC2(N3CCCCC3)CCOCC2)s1 ZINC000512055066 561890450 /nfs/dbraw/zinc/89/04/50/561890450.db2.gz XCKRMAJRDNHYEO-UHFFFAOYSA-N 1 3 352.548 2.329 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000512512043 561908019 /nfs/dbraw/zinc/90/80/19/561908019.db2.gz PRBYCDBZTLIZFY-MOPGFXCFSA-N 1 3 374.529 2.096 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000512512043 561908020 /nfs/dbraw/zinc/90/80/20/561908020.db2.gz PRBYCDBZTLIZFY-MOPGFXCFSA-N 1 3 374.529 2.096 20 0 FEADHO C[C@@H](CO)N1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000364935878 555443199 /nfs/dbraw/zinc/44/31/99/555443199.db2.gz NIURWOMMAFRIPJ-SFHVURJKSA-N 1 3 359.514 2.201 20 0 FEADHO CC(C)(CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1)N1CCCCC1 ZINC000365231799 555517640 /nfs/dbraw/zinc/51/76/40/555517640.db2.gz ZFIZEAWINJOIKD-UHFFFAOYSA-N 1 3 361.534 2.363 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000514056866 561958997 /nfs/dbraw/zinc/95/89/97/561958997.db2.gz NGDUFSDGCCFHJP-MSOLQXFVSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000514056866 561958998 /nfs/dbraw/zinc/95/89/98/561958998.db2.gz NGDUFSDGCCFHJP-MSOLQXFVSA-N 1 3 360.502 2.053 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366646481 555898107 /nfs/dbraw/zinc/89/81/07/555898107.db2.gz SIYUTQUGGZUACD-UHFFFAOYSA-N 1 3 372.513 2.128 20 0 FEADHO CC1CCC(N2CCC([N@H+](C)C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000366923391 555971086 /nfs/dbraw/zinc/97/10/86/555971086.db2.gz DKPDUPJBIFJEGS-HFCFLWKCSA-N 1 3 371.591 2.243 20 0 FEADHO CC1CCC(N2CCC([N@@H+](C)C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000366923391 555971090 /nfs/dbraw/zinc/97/10/90/555971090.db2.gz DKPDUPJBIFJEGS-HFCFLWKCSA-N 1 3 371.591 2.243 20 0 FEADHO CC1CCC([NH+]2CCC(N(C)C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000366923391 555971092 /nfs/dbraw/zinc/97/10/92/555971092.db2.gz DKPDUPJBIFJEGS-HFCFLWKCSA-N 1 3 371.591 2.243 20 0 FEADHO CN1CCN(C(=O)CCN2CCC[C@H]([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000367274564 556005136 /nfs/dbraw/zinc/00/51/36/556005136.db2.gz NHAUPBHOKSBZOY-NRFANRHFSA-N 1 3 372.557 2.137 20 0 FEADHO CN1CCN(C(=O)CCN2CCC[C@H]([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000367274564 556005140 /nfs/dbraw/zinc/00/51/40/556005140.db2.gz NHAUPBHOKSBZOY-NRFANRHFSA-N 1 3 372.557 2.137 20 0 FEADHO CN(Cc1ccccc1)[C@H]1CCC[N@H+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000367274564 556005145 /nfs/dbraw/zinc/00/51/45/556005145.db2.gz NHAUPBHOKSBZOY-NRFANRHFSA-N 1 3 372.557 2.137 20 0 FEADHO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000367274564 556005148 /nfs/dbraw/zinc/00/51/48/556005148.db2.gz NHAUPBHOKSBZOY-NRFANRHFSA-N 1 3 372.557 2.137 20 0 FEADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000367527574 556074286 /nfs/dbraw/zinc/07/42/86/556074286.db2.gz PVSYJDAWPAJXFS-MSOLQXFVSA-N 1 3 366.550 2.098 20 0 FEADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000367527574 556074288 /nfs/dbraw/zinc/07/42/88/556074288.db2.gz PVSYJDAWPAJXFS-MSOLQXFVSA-N 1 3 366.550 2.098 20 0 FEADHO Cc1ccccc1NC(=O)CCN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367678732 556112893 /nfs/dbraw/zinc/11/28/93/556112893.db2.gz OFJXNUMGGZYRCT-IBGZPJMESA-N 1 3 358.530 2.424 20 0 FEADHO Cc1ccccc1NC(=O)CCN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367678732 556112896 /nfs/dbraw/zinc/11/28/96/556112896.db2.gz OFJXNUMGGZYRCT-IBGZPJMESA-N 1 3 358.530 2.424 20 0 FEADHO CCOc1c(OC)cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OC ZINC000514861449 561983848 /nfs/dbraw/zinc/98/38/48/561983848.db2.gz HEVZJJLXUPTXCM-APWZRJJASA-N 1 3 364.486 2.431 20 0 FEADHO CCCN(CCN1CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000367837159 556151210 /nfs/dbraw/zinc/15/12/10/556151210.db2.gz UYHZTTFCTYZZTQ-IBGZPJMESA-N 1 3 351.535 2.354 20 0 FEADHO CCCN(CCN1CCCCC1)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000367837159 556151212 /nfs/dbraw/zinc/15/12/12/556151212.db2.gz UYHZTTFCTYZZTQ-IBGZPJMESA-N 1 3 351.535 2.354 20 0 FEADHO Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c(C)s1 ZINC000514926842 561987080 /nfs/dbraw/zinc/98/70/80/561987080.db2.gz KRIRNGBBAXCELS-OAGGEKHMSA-N 1 3 371.572 2.106 20 0 FEADHO CC(C)OCC[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000368152247 556231129 /nfs/dbraw/zinc/23/11/29/556231129.db2.gz NPCGNQPXRFIMTM-LJQANCHMSA-N 1 3 357.514 2.205 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H](N)C3)CC2)cc1 ZINC000515498299 562013130 /nfs/dbraw/zinc/01/31/30/562013130.db2.gz FZYRFFPTNKDHJS-DOTOQJQBSA-N 1 3 365.543 2.309 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC(N[C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000515498299 562013132 /nfs/dbraw/zinc/01/31/32/562013132.db2.gz FZYRFFPTNKDHJS-DOTOQJQBSA-N 1 3 365.543 2.309 20 0 FEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000369028332 556481308 /nfs/dbraw/zinc/48/13/08/556481308.db2.gz WOFOIPUFASNJMX-PMACEKPBSA-N 1 3 374.529 2.191 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369219542 556539222 /nfs/dbraw/zinc/53/92/22/556539222.db2.gz FOGIKBAZEULTEH-AZUAARDMSA-N 1 3 373.545 2.467 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369219542 556539226 /nfs/dbraw/zinc/53/92/26/556539226.db2.gz FOGIKBAZEULTEH-AZUAARDMSA-N 1 3 373.545 2.467 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369219543 556539422 /nfs/dbraw/zinc/53/94/22/556539422.db2.gz FOGIKBAZEULTEH-ICSRJNTNSA-N 1 3 373.545 2.467 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000369219543 556539424 /nfs/dbraw/zinc/53/94/24/556539424.db2.gz FOGIKBAZEULTEH-ICSRJNTNSA-N 1 3 373.545 2.467 20 0 FEADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369404128 556593027 /nfs/dbraw/zinc/59/30/27/556593027.db2.gz YCCQNZWZIXOSLQ-GBESFXJTSA-N 1 3 368.566 2.105 20 0 FEADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369404128 556593029 /nfs/dbraw/zinc/59/30/29/556593029.db2.gz YCCQNZWZIXOSLQ-GBESFXJTSA-N 1 3 368.566 2.105 20 0 FEADHO COCCCN1CCCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000369653699 556659439 /nfs/dbraw/zinc/65/94/39/556659439.db2.gz AUCORMKWJJLSST-UHFFFAOYSA-N 1 3 362.518 2.002 20 0 FEADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000369854302 556713110 /nfs/dbraw/zinc/71/31/10/556713110.db2.gz VUGUSXFVLAYRFX-MRXNPFEDSA-N 1 3 371.533 2.193 20 0 FEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000370051603 556767658 /nfs/dbraw/zinc/76/76/58/556767658.db2.gz XCXCAGLSCIPXNB-KSZLIROESA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000370051603 556767662 /nfs/dbraw/zinc/76/76/62/556767662.db2.gz XCXCAGLSCIPXNB-KSZLIROESA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000516634571 562051939 /nfs/dbraw/zinc/05/19/39/562051939.db2.gz QDDWZLBFMPGTIW-HBFSDRIKSA-N 1 3 374.529 2.327 20 0 FEADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000370263503 556824586 /nfs/dbraw/zinc/82/45/86/556824586.db2.gz YJPLWOFSWXVMAZ-DOTOQJQBSA-N 1 3 362.543 2.074 20 0 FEADHO [NH3+]C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)CC12CCOCC2 ZINC000516768659 562057267 /nfs/dbraw/zinc/05/72/67/562057267.db2.gz PGBRMCFNEQZQDU-LJQANCHMSA-N 1 3 357.498 2.110 20 0 FEADHO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000516867625 562061793 /nfs/dbraw/zinc/06/17/93/562061793.db2.gz JBMHDOSZHWHZIX-DLBZAZTESA-N 1 3 374.529 2.095 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000370609886 556920953 /nfs/dbraw/zinc/92/09/53/556920953.db2.gz GCTCJXZWAFJCIS-SLFFLAALSA-N 1 3 356.514 2.236 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000370609886 556920956 /nfs/dbraw/zinc/92/09/56/556920956.db2.gz GCTCJXZWAFJCIS-SLFFLAALSA-N 1 3 356.514 2.236 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000370736163 556953281 /nfs/dbraw/zinc/95/32/81/556953281.db2.gz BFXZEDQWLYBAEO-RTBURBONSA-N 1 3 372.513 2.210 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000370736163 556953284 /nfs/dbraw/zinc/95/32/84/556953284.db2.gz BFXZEDQWLYBAEO-RTBURBONSA-N 1 3 372.513 2.210 20 0 FEADHO C[C@@H](C(=O)Nc1cccc(F)c1)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258999 557122958 /nfs/dbraw/zinc/12/29/58/557122958.db2.gz FBUHEJCPHCRDPW-KXBFYZLASA-N 1 3 362.493 2.253 20 0 FEADHO CC(C)N1CCN(C2CCN(C(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000371349084 557155817 /nfs/dbraw/zinc/15/58/17/557155817.db2.gz FPHBDRGOUZCDMK-CEXWTWQISA-N 1 3 364.578 2.265 20 0 FEADHO CC(C)N1CCN(C2CCN(C(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000371349084 557155821 /nfs/dbraw/zinc/15/58/21/557155821.db2.gz FPHBDRGOUZCDMK-CEXWTWQISA-N 1 3 364.578 2.265 20 0 FEADHO CCN(CC)[C@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000517883290 562099789 /nfs/dbraw/zinc/09/97/89/562099789.db2.gz LHCUYGQALDDYJZ-FQEVSTJZSA-N 1 3 360.546 2.213 20 0 FEADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000372055661 557368123 /nfs/dbraw/zinc/36/81/23/557368123.db2.gz FTMAXRPFASNVJU-HZPDHXFCSA-N 1 3 371.572 2.364 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H]4CC[N@H+](C)[C@H]4C3)c2)CC1 ZINC000372160392 557395941 /nfs/dbraw/zinc/39/59/41/557395941.db2.gz LSMZDFNGXFJMEQ-XLIONFOSSA-N 1 3 371.529 2.386 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H]4CC[N@@H+](C)[C@H]4C3)c2)CC1 ZINC000372160392 557395945 /nfs/dbraw/zinc/39/59/45/557395945.db2.gz LSMZDFNGXFJMEQ-XLIONFOSSA-N 1 3 371.529 2.386 20 0 FEADHO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372369210 557452331 /nfs/dbraw/zinc/45/23/31/557452331.db2.gz LUJNVFWXOKUGFA-LFGUQSLTSA-N 1 3 364.578 2.170 20 0 FEADHO CN1CC[C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@@H]1c1cccnc1 ZINC000373121174 557633323 /nfs/dbraw/zinc/63/33/23/557633323.db2.gz KGQFYKOBQKYISU-SXLOBPIMSA-N 1 3 371.529 2.391 20 0 FEADHO CN1CC[C@@H](CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[C@@H]1c1cccnc1 ZINC000373121174 557633325 /nfs/dbraw/zinc/63/33/25/557633325.db2.gz KGQFYKOBQKYISU-SXLOBPIMSA-N 1 3 371.529 2.391 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)C1 ZINC000373184595 557646492 /nfs/dbraw/zinc/64/64/92/557646492.db2.gz FIBKSWDKZNLJLW-RDGPPVDQSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)C1 ZINC000373184595 557646493 /nfs/dbraw/zinc/64/64/93/557646493.db2.gz FIBKSWDKZNLJLW-RDGPPVDQSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373218147 557652293 /nfs/dbraw/zinc/65/22/93/557652293.db2.gz QXHBLSOLEUZEEZ-MLYOOKFZSA-N 1 3 364.578 2.265 20 0 FEADHO CC[NH+]1CCC(CCNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC000373335526 557674773 /nfs/dbraw/zinc/67/47/73/557674773.db2.gz XKLSEYPFXKSLOU-KRWDZBQOSA-N 1 3 366.550 2.003 20 0 FEADHO C[N@H+](C[C@@H]1CC12CCN(CCN1C(=O)NC3(CCCC3)C1=O)CC2)C1CC1 ZINC000374292845 557859729 /nfs/dbraw/zinc/85/97/29/557859729.db2.gz FZZYHJTXDABUPS-INIZCTEOSA-N 1 3 374.529 2.047 20 0 FEADHO C[N@@H+](C[C@@H]1CC12CCN(CCN1C(=O)NC3(CCCC3)C1=O)CC2)C1CC1 ZINC000374292845 557859730 /nfs/dbraw/zinc/85/97/30/557859730.db2.gz FZZYHJTXDABUPS-INIZCTEOSA-N 1 3 374.529 2.047 20 0 FEADHO CC1CCC([NH+]2CCC(N(C)C(=O)[C@@H](N)C3CCOCC3)CC2)CC1 ZINC000374593813 557904168 /nfs/dbraw/zinc/90/41/68/557904168.db2.gz NTDMGXLJCOYVCU-PPSBMQLTSA-N 1 3 351.535 2.242 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]4CC[N@H+](C)[C@H]4C3)cc2)CC1 ZINC000375062805 557972202 /nfs/dbraw/zinc/97/22/02/557972202.db2.gz CFCYCVFTRMGWID-RXVVDRJESA-N 1 3 370.541 2.383 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]4CC[N@@H+](C)[C@H]4C3)cc2)CC1 ZINC000375062805 557972203 /nfs/dbraw/zinc/97/22/03/557972203.db2.gz CFCYCVFTRMGWID-RXVVDRJESA-N 1 3 370.541 2.383 20 0 FEADHO C[C@H](CC[NH+](C)C)NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000521301203 562173950 /nfs/dbraw/zinc/17/39/50/562173950.db2.gz JWKATEADDVZKAM-QGZVFWFLSA-N 1 3 368.566 2.440 20 0 FEADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000375225826 557994737 /nfs/dbraw/zinc/99/47/37/557994737.db2.gz FJCGGFHGYOJOQS-LJQANCHMSA-N 1 3 356.514 2.388 20 0 FEADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000375225826 557994739 /nfs/dbraw/zinc/99/47/39/557994739.db2.gz FJCGGFHGYOJOQS-LJQANCHMSA-N 1 3 356.514 2.388 20 0 FEADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000375493820 558037139 /nfs/dbraw/zinc/03/71/39/558037139.db2.gz JJZBYNUFKLMITM-GBESFXJTSA-N 1 3 368.566 2.249 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000375965077 558106159 /nfs/dbraw/zinc/10/61/59/558106159.db2.gz WHPMDOBSQZMWNN-HOTGVXAUSA-N 1 3 350.532 2.448 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000375965077 558106160 /nfs/dbraw/zinc/10/61/60/558106160.db2.gz WHPMDOBSQZMWNN-HOTGVXAUSA-N 1 3 350.532 2.448 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000376646930 558202862 /nfs/dbraw/zinc/20/28/62/558202862.db2.gz RKSIUVVITCMZEY-HKUYNNGSSA-N 1 3 366.550 2.144 20 0 FEADHO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000377412192 558335525 /nfs/dbraw/zinc/33/55/25/558335525.db2.gz MYULLQYRQOMNMJ-RNQOJCNYSA-N 1 3 359.514 2.122 20 0 FEADHO C[C@H](NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377412192 558335526 /nfs/dbraw/zinc/33/55/26/558335526.db2.gz MYULLQYRQOMNMJ-RNQOJCNYSA-N 1 3 359.514 2.122 20 0 FEADHO C[C@H](NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377412192 558335527 /nfs/dbraw/zinc/33/55/27/558335527.db2.gz MYULLQYRQOMNMJ-RNQOJCNYSA-N 1 3 359.514 2.122 20 0 FEADHO CN1CC[NH+]([C@@H]2CCCCN(Cc3ccnn3-c3ccccc3)C2)CC1 ZINC000377672747 558393065 /nfs/dbraw/zinc/39/30/65/558393065.db2.gz LZMCWMRAXZYGJX-HXUWFJFHSA-N 1 3 353.514 2.474 20 0 FEADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)cc2)CC1 ZINC000377807367 558423822 /nfs/dbraw/zinc/42/38/22/558423822.db2.gz QBZBZBOHLDVSNX-LEWJYISDSA-N 1 3 370.541 2.398 20 0 FEADHO CN(CC1CCCCC1)C(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378433228 558555956 /nfs/dbraw/zinc/55/59/56/558555956.db2.gz QBULDVVSKLVOMD-FQEVSTJZSA-N 1 3 364.578 2.125 20 0 FEADHO COCC1(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000388403637 558608749 /nfs/dbraw/zinc/60/87/49/558608749.db2.gz NAEQRKJGIICGFI-IBGZPJMESA-N 1 3 359.514 2.126 20 0 FEADHO C[C@H]1CCC[C@](CNC(=O)N2CCC(OCCN(C)C)CC2)([NH+](C)C)C1 ZINC000524518480 562229818 /nfs/dbraw/zinc/22/98/18/562229818.db2.gz DRNWXMCOAVHOBU-PXNSSMCTSA-N 1 3 368.566 2.249 20 0 FEADHO Cc1cccc(C)c1OC[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524901246 562237239 /nfs/dbraw/zinc/23/72/39/562237239.db2.gz SRVNHCDLDSTFCS-SFHVURJKSA-N 1 3 364.534 2.206 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)[C@H](C)C1 ZINC000411415865 558891074 /nfs/dbraw/zinc/89/10/74/558891074.db2.gz GWFDWBPKZYEVER-VQIMIIECSA-N 1 3 374.529 2.184 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)[C@H](C)C1 ZINC000411415865 558891075 /nfs/dbraw/zinc/89/10/75/558891075.db2.gz GWFDWBPKZYEVER-VQIMIIECSA-N 1 3 374.529 2.184 20 0 FEADHO C[C@H](NCCC(=O)Nc1ccc(C(N)=O)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518694 558909325 /nfs/dbraw/zinc/90/93/25/558909325.db2.gz PXXLNRASXMPGFR-DOTOQJQBSA-N 1 3 372.513 2.357 20 0 FEADHO C[C@H](NCCC(=O)Nc1ccc(C(N)=O)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518694 558909326 /nfs/dbraw/zinc/90/93/26/558909326.db2.gz PXXLNRASXMPGFR-DOTOQJQBSA-N 1 3 372.513 2.357 20 0 FEADHO C[C@H]([NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000411518694 558909328 /nfs/dbraw/zinc/90/93/28/558909328.db2.gz PXXLNRASXMPGFR-DOTOQJQBSA-N 1 3 372.513 2.357 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000411671501 558940460 /nfs/dbraw/zinc/94/04/60/558940460.db2.gz MBCNRLOJYOTROV-QGZVFWFLSA-N 1 3 374.529 2.315 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000411671501 558940462 /nfs/dbraw/zinc/94/04/62/558940462.db2.gz MBCNRLOJYOTROV-QGZVFWFLSA-N 1 3 374.529 2.315 20 0 FEADHO CN(CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccncc1 ZINC000525948148 562260811 /nfs/dbraw/zinc/26/08/11/562260811.db2.gz PIPMAJTZQGESLL-BGYRXZFFSA-N 1 3 364.493 2.498 20 0 FEADHO CN(CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccncc1 ZINC000525948148 562260812 /nfs/dbraw/zinc/26/08/12/562260812.db2.gz PIPMAJTZQGESLL-BGYRXZFFSA-N 1 3 364.493 2.498 20 0 FEADHO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(CN2CCCCC2)c1 ZINC000413623968 559120962 /nfs/dbraw/zinc/12/09/62/559120962.db2.gz INDRKQGVYYKCRR-FQEVSTJZSA-N 1 3 359.514 2.249 20 0 FEADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](CO)CN2CCCCC2)cc1 ZINC000413824640 559133128 /nfs/dbraw/zinc/13/31/28/559133128.db2.gz WVUSKYGANMDFND-FQEVSTJZSA-N 1 3 361.530 2.495 20 0 FEADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](CO)CN2CCCCC2)cc1 ZINC000413824640 559133129 /nfs/dbraw/zinc/13/31/29/559133129.db2.gz WVUSKYGANMDFND-FQEVSTJZSA-N 1 3 361.530 2.495 20 0 FEADHO CCN1CC[C@H](NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000413869913 559136214 /nfs/dbraw/zinc/13/62/14/559136214.db2.gz ZGEPAXYKTSDKNC-AQNXPRMDSA-N 1 3 356.514 2.244 20 0 FEADHO CCN1CC[C@H](NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000413869913 559136215 /nfs/dbraw/zinc/13/62/15/559136215.db2.gz ZGEPAXYKTSDKNC-AQNXPRMDSA-N 1 3 356.514 2.244 20 0 FEADHO CCCN1CCC[C@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413976249 559144630 /nfs/dbraw/zinc/14/46/30/559144630.db2.gz JJVIDWFPMDPIEY-IBGZPJMESA-N 1 3 359.514 2.004 20 0 FEADHO Cc1nc(C)c([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)s1 ZINC000414180395 559151793 /nfs/dbraw/zinc/15/17/93/559151793.db2.gz BARVBKAPXVYFDO-AWEZNQCLSA-N 1 3 352.548 2.207 20 0 FEADHO CCO[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1(CC)CC ZINC000414182732 559152004 /nfs/dbraw/zinc/15/20/04/559152004.db2.gz DHWXBBOPSFZADW-RTBURBONSA-N 1 3 367.578 2.356 20 0 FEADHO C[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(F)c1F ZINC000414200456 559152707 /nfs/dbraw/zinc/15/27/07/559152707.db2.gz RWLACOLICREMOA-HNNXBMFYSA-N 1 3 353.457 2.412 20 0 FEADHO C[NH+]1CCC(CNCc2ccc(Cl)cc2F)(N2CCOCC2)CC1 ZINC000414483946 559168082 /nfs/dbraw/zinc/16/80/82/559168082.db2.gz NIARBCUFMBUAFJ-UHFFFAOYSA-N 1 3 355.885 2.365 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)C1 ZINC000414687446 559179768 /nfs/dbraw/zinc/17/97/68/559179768.db2.gz HONXZAHYHHTULD-AWEZNQCLSA-N 1 3 367.440 2.005 20 0 FEADHO C[N@H+](CCCc1cc(-c2ccccc2)no1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414695491 559180240 /nfs/dbraw/zinc/18/02/40/559180240.db2.gz OXEQVRKHDSLLNP-QGZVFWFLSA-N 1 3 370.497 2.403 20 0 FEADHO C[N@@H+](CCCc1cc(-c2ccccc2)no1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414695491 559180242 /nfs/dbraw/zinc/18/02/42/559180242.db2.gz OXEQVRKHDSLLNP-QGZVFWFLSA-N 1 3 370.497 2.403 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1 ZINC000414708261 559181335 /nfs/dbraw/zinc/18/13/35/559181335.db2.gz QBCQHSUEXWDRQE-HZPDHXFCSA-N 1 3 360.502 2.114 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2cccc(CNC)c2)CC1 ZINC000414746775 559184478 /nfs/dbraw/zinc/18/44/78/559184478.db2.gz SVCFAIOKOXDUPT-UHFFFAOYSA-N 1 3 374.529 2.315 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2cccc(CNC)c2)CC1 ZINC000414746775 559184479 /nfs/dbraw/zinc/18/44/79/559184479.db2.gz SVCFAIOKOXDUPT-UHFFFAOYSA-N 1 3 374.529 2.315 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000414822998 559189701 /nfs/dbraw/zinc/18/97/01/559189701.db2.gz NXGKNEOBBGQDDW-UHFFFAOYSA-N 1 3 360.502 2.117 20 0 FEADHO Cc1ccc(-c2n[nH]cc2CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414996909 559199813 /nfs/dbraw/zinc/19/98/13/559199813.db2.gz XXWWKEJAIGWDEC-MRXNPFEDSA-N 1 3 367.419 2.311 20 0 FEADHO CN(c1ccccc1CN[C@@H]1CNCCC1(F)F)C1CC[NH+](C)CC1 ZINC000415002483 559199897 /nfs/dbraw/zinc/19/98/97/559199897.db2.gz NMAKGNXSALPWQN-GOSISDBHSA-N 1 3 352.473 2.304 20 0 FEADHO O=C(COc1ccccc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCCC1 ZINC000415003343 559200290 /nfs/dbraw/zinc/20/02/90/559200290.db2.gz FUWJURSFIIWWPY-RBUKOAKNSA-N 1 3 357.498 2.166 20 0 FEADHO COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)CN)C2)c(C(F)(F)F)c1 ZINC000415089829 559204921 /nfs/dbraw/zinc/20/49/21/559204921.db2.gz YEUHGZJAYLJRFR-GFCCVEGCSA-N 1 3 359.392 2.001 20 0 FEADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)c1Br ZINC000415093943 559204937 /nfs/dbraw/zinc/20/49/37/559204937.db2.gz CWRAOHKEUOYVKM-ZDUSSCGKSA-N 1 3 354.292 2.044 20 0 FEADHO COc1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc(OC)c1OC ZINC000415102420 559205245 /nfs/dbraw/zinc/20/52/45/559205245.db2.gz CCTMCAHGUIAAID-QFBILLFUSA-N 1 3 364.486 2.431 20 0 FEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000415116706 559206084 /nfs/dbraw/zinc/20/60/84/559206084.db2.gz ZQMXMVJFZRDWNV-KANFNMMFSA-N 1 3 351.514 2.233 20 0 FEADHO [NH3+]CC1(O)CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000415141965 559208304 /nfs/dbraw/zinc/20/83/04/559208304.db2.gz OXYRDZMVLOEIIO-UHFFFAOYSA-N 1 3 363.465 2.220 20 0 FEADHO CCCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415233729 559217015 /nfs/dbraw/zinc/21/70/15/559217015.db2.gz WMOBCTPQKJFVTM-UHFFFAOYSA-N 1 3 374.529 2.459 20 0 FEADHO CCCC[C@@H](CN)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415500137 559243948 /nfs/dbraw/zinc/24/39/48/559243948.db2.gz PPNDZGXZDDUHEU-APWZRJJASA-N 1 3 374.529 2.491 20 0 FEADHO CCCC[C@@H](CN)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415500137 559243949 /nfs/dbraw/zinc/24/39/49/559243949.db2.gz PPNDZGXZDDUHEU-APWZRJJASA-N 1 3 374.529 2.491 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)c2)CC1 ZINC000415506861 559244864 /nfs/dbraw/zinc/24/48/64/559244864.db2.gz UBCCRKKSEWENCK-OXQOHEQNSA-N 1 3 359.518 2.277 20 0 FEADHO CCCN(C(=O)C(=O)Nc1cccc(CN(CC)CC)c1)C1CC[NH2+]CC1 ZINC000415508207 559245002 /nfs/dbraw/zinc/24/50/02/559245002.db2.gz PPAVJCSZXXTLRD-UHFFFAOYSA-N 1 3 374.529 2.458 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000415831282 559276301 /nfs/dbraw/zinc/27/63/01/559276301.db2.gz NTZMRGXEAIAELB-LJQANCHMSA-N 1 3 368.481 2.283 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)NCc1ccncc1OCCN(C)C ZINC000415930840 559283030 /nfs/dbraw/zinc/28/30/30/559283030.db2.gz LASNVEXWNJWRJF-UHFFFAOYSA-N 1 3 371.485 2.453 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000415950779 559284437 /nfs/dbraw/zinc/28/44/37/559284437.db2.gz IBJUOWHWIMSEEV-UHFFFAOYSA-N 1 3 360.502 2.372 20 0 FEADHO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1ncccc1CN)c1ccccc1 ZINC000415993688 559287691 /nfs/dbraw/zinc/28/76/91/559287691.db2.gz FXQDXIXTWUOMMX-GOSISDBHSA-N 1 3 371.485 2.371 20 0 FEADHO COCC[N@@H+](C)CC[C@@H](NC(=O)Nc1ncccc1CN)c1ccccc1 ZINC000415993688 559287692 /nfs/dbraw/zinc/28/76/92/559287692.db2.gz FXQDXIXTWUOMMX-GOSISDBHSA-N 1 3 371.485 2.371 20 0 FEADHO CS[C@H]1CN(C(=O)CCN2CCc3ccccc3C2)C[C@H]1[NH+]1CCCC1 ZINC000416206036 559298234 /nfs/dbraw/zinc/29/82/34/559298234.db2.gz TUWZHUVTECVTNM-UXHICEINSA-N 1 3 373.566 2.473 20 0 FEADHO C[C@H]1C[N@H+](CCCNC(=O)CCN2CCc3ccccc3C2)CCCO1 ZINC000416219443 559299187 /nfs/dbraw/zinc/29/91/87/559299187.db2.gz HMKYPZWIKFBVPF-SFHVURJKSA-N 1 3 359.514 2.052 20 0 FEADHO C[C@H]1C[N@@H+](CCCNC(=O)CCN2CCc3ccccc3C2)CCCO1 ZINC000416219443 559299188 /nfs/dbraw/zinc/29/91/88/559299188.db2.gz HMKYPZWIKFBVPF-SFHVURJKSA-N 1 3 359.514 2.052 20 0 FEADHO [NH3+]CCCOC1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000416790210 559332900 /nfs/dbraw/zinc/33/29/00/559332900.db2.gz GCFMPFUQYUQTGJ-UHFFFAOYSA-N 1 3 374.529 2.190 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416829664 559334212 /nfs/dbraw/zinc/33/42/12/559334212.db2.gz FTZBFTCEDWFTTN-AQNXPRMDSA-N 1 3 358.530 2.190 20 0 FEADHO COc1cccc([C@H](CNC(=O)NCC2=CC[NH2+]CC2)N2CCCC2)c1 ZINC000416840817 559334604 /nfs/dbraw/zinc/33/46/04/559334604.db2.gz GGFUIQUEJVSDQF-IBGZPJMESA-N 1 3 358.486 2.051 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1cccc(OC)c1 ZINC000416926616 559338781 /nfs/dbraw/zinc/33/87/81/559338781.db2.gz ROTPFMBPIDFHAU-AYOQOUSVSA-N 1 3 362.518 2.457 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000416980663 559341773 /nfs/dbraw/zinc/34/17/73/559341773.db2.gz ZBEXYCAVEPJQFA-RBUKOAKNSA-N 1 3 374.529 2.158 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N2C[C@H](C)NC[C@H]2C)cc1 ZINC000416989322 559342382 /nfs/dbraw/zinc/34/23/82/559342382.db2.gz MEQRJNIOIUMEGF-DLBZAZTESA-N 1 3 362.518 2.299 20 0 FEADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCCNCc2cccnc2)C1 ZINC000417023840 559344477 /nfs/dbraw/zinc/34/44/77/559344477.db2.gz LWPLMPJXTQXRCZ-ROUUACIJSA-N 1 3 361.534 2.229 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417197775 559352629 /nfs/dbraw/zinc/35/26/29/559352629.db2.gz QISKIJYVGMCUFA-UXHICEINSA-N 1 3 358.530 2.333 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)NCC3=CC[NH2+]CC3)CC2)cc1 ZINC000417330290 559357850 /nfs/dbraw/zinc/35/78/50/559357850.db2.gz KNIQTQNNBTVQPU-UHFFFAOYSA-N 1 3 372.513 2.126 20 0 FEADHO COc1ccc(C[NH+]2CCC(CNC(=O)N3CCN[C@H](C)[C@H]3C)CC2)cc1 ZINC000417330788 559357852 /nfs/dbraw/zinc/35/78/52/559357852.db2.gz LJUQUVXCSORBDA-IAGOWNOFSA-N 1 3 374.529 2.299 20 0 FEADHO COc1ccc(C[NH+]2CCC(CNC(=O)N3C[C@H](C)NC[C@H]3C)CC2)cc1 ZINC000417335888 559358174 /nfs/dbraw/zinc/35/81/74/559358174.db2.gz UJPLWNAULLHEJR-DLBZAZTESA-N 1 3 374.529 2.299 20 0 FEADHO CC1(C)CN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCN1 ZINC000417375249 559359808 /nfs/dbraw/zinc/35/98/08/559359808.db2.gz BPEWTAWBYLKJMF-UHFFFAOYSA-N 1 3 350.532 2.354 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)NC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000417515227 559365489 /nfs/dbraw/zinc/36/54/89/559365489.db2.gz KVDPFGHFJUWRQM-SFHVURJKSA-N 1 3 362.518 2.137 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000417549468 559366633 /nfs/dbraw/zinc/36/66/33/559366633.db2.gz SVDZQLBXQFYTAJ-KRWDZBQOSA-N 1 3 354.539 2.083 20 0 FEADHO CC[NH2+][C@H](C)CNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417582928 559367697 /nfs/dbraw/zinc/36/76/97/559367697.db2.gz KPKNSOKYYAZFAN-MRXNPFEDSA-N 1 3 354.539 2.097 20 0 FEADHO O=C(NCCCNCc1cccnc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417801364 559376889 /nfs/dbraw/zinc/37/68/89/559376889.db2.gz VUMLCXNMEIDUOQ-IBGZPJMESA-N 1 3 359.518 2.125 20 0 FEADHO O=C(NCCCNCc1cccnc1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000417801364 559376890 /nfs/dbraw/zinc/37/68/90/559376890.db2.gz VUMLCXNMEIDUOQ-IBGZPJMESA-N 1 3 359.518 2.125 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000417821549 559377759 /nfs/dbraw/zinc/37/77/59/559377759.db2.gz ZMVNPUOBBGGRDU-INIZCTEOSA-N 1 3 362.518 2.395 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417825290 559377921 /nfs/dbraw/zinc/37/79/21/559377921.db2.gz MYOFCADQXLYVKL-BMFZPTHFSA-N 1 3 354.445 2.179 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000417829814 559378150 /nfs/dbraw/zinc/37/81/50/559378150.db2.gz GJEQIOFDFOFUEF-SLYNCCJLSA-N 1 3 356.514 2.435 20 0 FEADHO COC[C@]1(CNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC000417830398 559378288 /nfs/dbraw/zinc/37/82/88/559378288.db2.gz GTYAEVLVNUGBSZ-HFSMHLIXSA-N 1 3 374.529 2.107 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417833168 559378334 /nfs/dbraw/zinc/37/83/34/559378334.db2.gz UGYRZEFBHBQVDZ-LMCOJAPRSA-N 1 3 356.514 2.148 20 0 FEADHO [NH3+]C[C@H]1CCN(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000417833693 559378359 /nfs/dbraw/zinc/37/83/59/559378359.db2.gz UKJBJSJIGNBZBS-LJQANCHMSA-N 1 3 374.529 2.048 20 0 FEADHO C[C@H]1[C@@H](NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCCN1C ZINC000417993281 559385582 /nfs/dbraw/zinc/38/55/82/559385582.db2.gz AIXPRZFNMGCBEA-WQCNXYOZSA-N 1 3 362.493 2.301 20 0 FEADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417999336 559385951 /nfs/dbraw/zinc/38/59/51/559385951.db2.gz VOKHYXBPNRFZGY-ZWKOTPCHSA-N 1 3 374.529 2.096 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCCO1 ZINC000418120187 559390879 /nfs/dbraw/zinc/39/08/79/559390879.db2.gz VLEUHQIJRUJVGP-IEBWSBKVSA-N 1 3 362.518 2.267 20 0 FEADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000418177988 559392982 /nfs/dbraw/zinc/39/29/82/559392982.db2.gz YFRSEXBCQYCZPS-FUHWJXTLSA-N 1 3 374.529 2.428 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)N(C)C)cc1 ZINC000418179702 559393217 /nfs/dbraw/zinc/39/32/17/559393217.db2.gz ARYMXOREWASDJL-GJYPPUQNSA-N 1 3 362.518 2.468 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2C[C@@H](C)NC[C@@H]2C)[NH+](C)C)cc1 ZINC000418179702 559393218 /nfs/dbraw/zinc/39/32/18/559393218.db2.gz ARYMXOREWASDJL-GJYPPUQNSA-N 1 3 362.518 2.468 20 0 FEADHO CCCN(C)[C@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418184346 559393288 /nfs/dbraw/zinc/39/32/88/559393288.db2.gz PTZZEQUSYOPIDL-DLBZAZTESA-N 1 3 368.909 2.092 20 0 FEADHO CSC1(CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CCN(C)CC1 ZINC000418192606 559393564 /nfs/dbraw/zinc/39/35/64/559393564.db2.gz AMIMBHHKUYSMTC-IRXDYDNUSA-N 1 3 368.591 2.378 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000418193544 559393713 /nfs/dbraw/zinc/39/37/13/559393713.db2.gz CYGNHXPNLAABGH-VQIMIIECSA-N 1 3 362.518 2.375 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCNC(C)(C)C2)[NH+](C)C)cc1 ZINC000418203759 559393935 /nfs/dbraw/zinc/39/39/35/559393935.db2.gz KOPWKXNZPCIEIF-GOSISDBHSA-N 1 3 362.518 2.470 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[NH2+]C(C)(C)C2)N(C)C)cc1 ZINC000418203759 559393936 /nfs/dbraw/zinc/39/39/36/559393936.db2.gz KOPWKXNZPCIEIF-GOSISDBHSA-N 1 3 362.518 2.470 20 0 FEADHO O=C(NCCC[NH2+]C1CC1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418287533 559396420 /nfs/dbraw/zinc/39/64/20/559396420.db2.gz KNRFFGXXJOAGGC-MOPGFXCFSA-N 1 3 356.514 2.292 20 0 FEADHO O=C(NCCC[NH2+]C1CC1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000418287539 559396532 /nfs/dbraw/zinc/39/65/32/559396532.db2.gz KNRFFGXXJOAGGC-RBUKOAKNSA-N 1 3 356.514 2.292 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418333185 559397827 /nfs/dbraw/zinc/39/78/27/559397827.db2.gz GLFKKJSWDHQKSQ-MJGOQNOKSA-N 1 3 359.518 2.077 20 0 FEADHO N[C@H](CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)c1ccccc1 ZINC000418448754 559402120 /nfs/dbraw/zinc/40/21/20/559402120.db2.gz JPTQLYKOJMKHPL-QRVBRYPASA-N 1 3 356.445 2.352 20 0 FEADHO CC(C)C[C@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418450539 559402131 /nfs/dbraw/zinc/40/21/31/559402131.db2.gz UUIVFDXYJQOTAI-MRXNPFEDSA-N 1 3 356.461 2.411 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418514212 559404424 /nfs/dbraw/zinc/40/44/24/559404424.db2.gz HFIMDTGEALOMJN-UHFFFAOYSA-N 1 3 368.472 2.428 20 0 FEADHO O=C(NCC[C@H]1CCC[NH2+]1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418550678 559405810 /nfs/dbraw/zinc/40/58/10/559405810.db2.gz OKCJXRLJRPADBD-HSALFYBXSA-N 1 3 356.514 2.292 20 0 FEADHO CC(C)N(CCN(C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418556463 559406167 /nfs/dbraw/zinc/40/61/67/559406167.db2.gz AMGLXKPTMJCSKZ-CRAIPNDOSA-N 1 3 368.472 2.392 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000418597377 559407421 /nfs/dbraw/zinc/40/74/21/559407421.db2.gz HOXOHBGHWMIZAI-GSEOLPGOSA-N 1 3 356.514 2.290 20 0 FEADHO COC[C@@]1(CNC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CCC[NH2+]1 ZINC000418655070 559409888 /nfs/dbraw/zinc/40/98/88/559409888.db2.gz MSXVCZHABIECLR-WMZOPIPTSA-N 1 3 368.909 2.011 20 0 FEADHO CCc1ccccc1[C@H](N)CNC(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000418660791 559410374 /nfs/dbraw/zinc/41/03/74/559410374.db2.gz ZMBDNPZSHCOIQX-CMKODMSKSA-N 1 3 374.529 2.144 20 0 FEADHO C[C@H](CCCC[NH3+])NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418670416 559410593 /nfs/dbraw/zinc/41/05/93/559410593.db2.gz JJXKZZMYWROKIJ-KURKYZTESA-N 1 3 368.566 2.425 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418763158 559414653 /nfs/dbraw/zinc/41/46/53/559414653.db2.gz HSJGWYQPWXXUPD-GOSISDBHSA-N 1 3 350.482 2.431 20 0 FEADHO CC(C)CN(CCN(C)C)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418763151 559414661 /nfs/dbraw/zinc/41/46/61/559414661.db2.gz JRUODGYBHBJOJD-UHFFFAOYSA-N 1 3 350.551 2.369 20 0 FEADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000418780135 559415725 /nfs/dbraw/zinc/41/57/25/559415725.db2.gz BMZLIOHIFZLGCY-VQTJNVASSA-N 1 3 358.530 2.464 20 0 FEADHO C[C@@H](c1nc(-c2cccs2)no1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420315746 559479787 /nfs/dbraw/zinc/47/97/87/559479787.db2.gz LGASQBLMDMWKTN-LSDHHAIUSA-N 1 3 361.515 2.476 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000420312740 559479936 /nfs/dbraw/zinc/47/99/36/559479936.db2.gz XCYDVLGVLOSWAU-FSSWDIPSSA-N 1 3 354.494 2.251 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000420312740 559479937 /nfs/dbraw/zinc/47/99/37/559479937.db2.gz XCYDVLGVLOSWAU-FSSWDIPSSA-N 1 3 354.494 2.251 20 0 FEADHO O=C(Nc1ccccc1)c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420347626 559482356 /nfs/dbraw/zinc/48/23/56/559482356.db2.gz HPOGXMBWFWGIHA-NRFANRHFSA-N 1 3 364.493 2.418 20 0 FEADHO c1ccc(-c2nc3ccccn3c2CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420352594 559482494 /nfs/dbraw/zinc/48/24/94/559482494.db2.gz ZHLKGTDDPANNDW-LJQANCHMSA-N 1 3 361.493 2.481 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000420398290 559485397 /nfs/dbraw/zinc/48/53/97/559485397.db2.gz GVCQCEJGLTZFHK-ZGXWSNOMSA-N 1 3 362.420 2.315 20 0 FEADHO C[C@@H]1CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H]1C[NH3+] ZINC000420413237 559486544 /nfs/dbraw/zinc/48/65/44/559486544.db2.gz SVKBMXXEIVHSRC-HZPDHXFCSA-N 1 3 358.486 2.059 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CCc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000420973723 559515843 /nfs/dbraw/zinc/51/58/43/559515843.db2.gz CQXAVUBPMVXFBW-UHFFFAOYSA-N 1 3 373.541 2.492 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CCc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000420973723 559515844 /nfs/dbraw/zinc/51/58/44/559515844.db2.gz CQXAVUBPMVXFBW-UHFFFAOYSA-N 1 3 373.541 2.492 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000420984727 559517311 /nfs/dbraw/zinc/51/73/11/559517311.db2.gz UOQROMWPOAVLQV-UHFFFAOYSA-N 1 3 359.514 2.450 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000421305666 559537787 /nfs/dbraw/zinc/53/77/87/559537787.db2.gz VJAAOOQIIJVGRO-GOSISDBHSA-N 1 3 360.502 2.020 20 0 FEADHO CC(C)(CC[NH3+])NC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000422590170 559596601 /nfs/dbraw/zinc/59/66/01/559596601.db2.gz KTCFUBGOQTZMAB-UHFFFAOYSA-N 1 3 361.534 2.015 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422700762 559603462 /nfs/dbraw/zinc/60/34/62/559603462.db2.gz AOODPZPYESPMTD-ZFZWDLNGSA-N 1 3 368.319 2.370 20 0 FEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000422728099 559604631 /nfs/dbraw/zinc/60/46/31/559604631.db2.gz FBPIUCLOEKLUDV-DOMZBBRYSA-N 1 3 354.292 2.157 20 0 FEADHO [NH3+]C[C@H]1CCCC[C@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000422730166 559604704 /nfs/dbraw/zinc/60/47/04/559604704.db2.gz JFCIOAAKQNPRKW-UKRRQHHQSA-N 1 3 354.292 2.286 20 0 FEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422730166 559604705 /nfs/dbraw/zinc/60/47/05/559604705.db2.gz JFCIOAAKQNPRKW-UKRRQHHQSA-N 1 3 354.292 2.286 20 0 FEADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H](CCC[NH3+])COC)CC1 ZINC000422746505 559605262 /nfs/dbraw/zinc/60/52/62/559605262.db2.gz WRZRNWPIZWIDIR-AEFFLSMTSA-N 1 3 366.525 2.372 20 0 FEADHO COc1ccc(CN2CCC(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)CC2)cc1 ZINC000422786536 559606645 /nfs/dbraw/zinc/60/66/45/559606645.db2.gz SLEDDEFFCIBSIH-FGZHOGPDSA-N 1 3 373.541 2.264 20 0 FEADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)C[C@H]3COCCN3)CC2)c1 ZINC000422808642 559607213 /nfs/dbraw/zinc/60/72/13/559607213.db2.gz LHAZRBGIFZCNSZ-SFTDATJTSA-N 1 3 374.573 2.254 20 0 FEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000422826445 559607912 /nfs/dbraw/zinc/60/79/12/559607912.db2.gz LNKOZIBJDCBEHM-CQSZACIVSA-N 1 3 373.501 2.144 20 0 FEADHO CCN1CCN(c2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000422884440 559609785 /nfs/dbraw/zinc/60/97/85/559609785.db2.gz WZERFMAKJRVISN-XUVXKRRUSA-N 1 3 357.546 2.234 20 0 FEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000422952350 559612617 /nfs/dbraw/zinc/61/26/17/559612617.db2.gz AQCABWQDQFUJIW-DOMZBBRYSA-N 1 3 354.292 2.157 20 0 FEADHO COC[C@H](CCC[NH3+])NCc1cn2cc(Br)cc(C)c2n1 ZINC000423036054 559616031 /nfs/dbraw/zinc/61/60/31/559616031.db2.gz KQGOBHGJVLSVGU-ZDUSSCGKSA-N 1 3 355.280 2.249 20 0 FEADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000423045622 559616303 /nfs/dbraw/zinc/61/63/03/559616303.db2.gz CJYHRYKCDIDFSC-HOTGVXAUSA-N 1 3 355.479 2.115 20 0 FEADHO O=C1NC2(CCCC2)C(=O)N1CCCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423066200 559617272 /nfs/dbraw/zinc/61/72/72/559617272.db2.gz WJOZQSDBWZDEFQ-ZACQAIPSSA-N 1 3 362.518 2.142 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)CC2)cc1 ZINC000423366166 559626935 /nfs/dbraw/zinc/62/69/35/559626935.db2.gz XKEXWQXBJKGUBN-JXFKEZNVSA-N 1 3 359.514 2.412 20 0 FEADHO C[C@@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)N(C)Cc1ccccc1 ZINC000423413529 559628242 /nfs/dbraw/zinc/62/82/42/559628242.db2.gz ZJJROXJWPDUFCN-LPHOPBHVSA-N 1 3 355.486 2.058 20 0 FEADHO COc1ccc([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c(OC)c1 ZINC000423456013 559629603 /nfs/dbraw/zinc/62/96/03/559629603.db2.gz NGZZXMKGEPGBBF-DUXSXAKTSA-N 1 3 361.486 2.001 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423759652 559638632 /nfs/dbraw/zinc/63/86/32/559638632.db2.gz LZVWZRCWFZIZJB-LJQANCHMSA-N 1 3 373.476 2.151 20 0 FEADHO CC(=O)c1ccc(C(=O)NCC2(N)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000424017019 559651216 /nfs/dbraw/zinc/65/12/16/559651216.db2.gz FKOAEWSUPCFAEZ-UHFFFAOYSA-N 1 3 355.438 2.206 20 0 FEADHO CN(c1ccccc1C[NH2+]C[C@@H]1CCN(C)C(=O)C1)C1CCN(C)CC1 ZINC000424188503 559657179 /nfs/dbraw/zinc/65/71/79/559657179.db2.gz LOAHDNMGHUBZGI-QGZVFWFLSA-N 1 3 358.530 2.175 20 0 FEADHO C[C@@H]1CC2(CN1CCCOc1ccc(S(C)(=O)=O)cc1)CC[NH2+]CC2 ZINC000424286676 559660674 /nfs/dbraw/zinc/66/06/74/559660674.db2.gz HRKNSNRNSRVWJT-MRXNPFEDSA-N 1 3 366.527 2.323 20 0 FEADHO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)c(OC)c1 ZINC000424289959 559660906 /nfs/dbraw/zinc/66/09/06/559660906.db2.gz CVGCUVCIQOYTQH-KZNAEPCWSA-N 1 3 361.486 2.227 20 0 FEADHO COc1ccc2c(c1)CCCN2C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424291305 559660952 /nfs/dbraw/zinc/66/09/52/559660952.db2.gz NKJPJKXQPAANKG-MRXNPFEDSA-N 1 3 357.498 2.438 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425655667 559713250 /nfs/dbraw/zinc/71/32/50/559713250.db2.gz RWDKPPUMLOSPNF-ZSYWTGECSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425655667 559713251 /nfs/dbraw/zinc/71/32/51/559713251.db2.gz RWDKPPUMLOSPNF-ZSYWTGECSA-N 1 3 350.551 2.480 20 0 FEADHO CN1C[C@@H]2CCCN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000425738871 559716944 /nfs/dbraw/zinc/71/69/44/559716944.db2.gz FYILNLZTTWWUBN-HSALFYBXSA-N 1 3 356.514 2.244 20 0 FEADHO CN1C[C@@H]2CCCN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000425738871 559716945 /nfs/dbraw/zinc/71/69/45/559716945.db2.gz FYILNLZTTWWUBN-HSALFYBXSA-N 1 3 356.514 2.244 20 0 FEADHO CCN1CCCN(C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)CC1 ZINC000428700431 559781322 /nfs/dbraw/zinc/78/13/22/559781322.db2.gz LCFMAMRGMYUMDA-UHFFFAOYSA-N 1 3 366.550 2.147 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1 ZINC000429703307 559804235 /nfs/dbraw/zinc/80/42/35/559804235.db2.gz LWXVOZLABOYWQP-VURPSTOHSA-N 1 3 371.525 2.343 20 0 FEADHO C[NH2+]C[C@H]1CCCN([C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000430603426 559824409 /nfs/dbraw/zinc/82/44/09/559824409.db2.gz KCVUHPXMHUZTFQ-AZUAARDMSA-N 1 3 372.557 2.087 20 0 FEADHO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)CNCC2CC2)cc1 ZINC000430874240 559829626 /nfs/dbraw/zinc/82/96/26/559829626.db2.gz YIXKFLILHZDEEM-UHFFFAOYSA-N 1 3 358.486 2.439 20 0 FEADHO Cc1cc(C)cc(OCCN(C)C(=O)CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431025874 559832618 /nfs/dbraw/zinc/83/26/18/559832618.db2.gz CTCKOKNWSCFTGB-UHFFFAOYSA-N 1 3 359.514 2.216 20 0 FEADHO CCN(CCNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)C1CC1 ZINC000431768798 559845686 /nfs/dbraw/zinc/84/56/86/559845686.db2.gz GOPMCYDHBYOVGU-UHFFFAOYSA-N 1 3 369.513 2.326 20 0 FEADHO CCN1CCN(c2ccccc2CNCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000432349210 559857197 /nfs/dbraw/zinc/85/71/97/559857197.db2.gz WNWFELCDQJLMGL-HXUWFJFHSA-N 1 3 374.573 2.419 20 0 FEADHO CCN1CCN(c2ccccc2CNCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000432349210 559857198 /nfs/dbraw/zinc/85/71/98/559857198.db2.gz WNWFELCDQJLMGL-HXUWFJFHSA-N 1 3 374.573 2.419 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433272409 559875448 /nfs/dbraw/zinc/87/54/48/559875448.db2.gz IJLIHABYYQJNAN-QZTJIDSGSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433272409 559875449 /nfs/dbraw/zinc/87/54/49/559875449.db2.gz IJLIHABYYQJNAN-QZTJIDSGSA-N 1 3 354.539 2.051 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCCO1 ZINC000433290535 559875942 /nfs/dbraw/zinc/87/59/42/559875942.db2.gz XFLICDUECLTDKP-IEBWSBKVSA-N 1 3 368.566 2.297 20 0 FEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433338897 559877497 /nfs/dbraw/zinc/87/74/97/559877497.db2.gz IVLJSPQJUABHID-RTBURBONSA-N 1 3 368.566 2.441 20 0 FEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433338897 559877498 /nfs/dbraw/zinc/87/74/98/559877498.db2.gz IVLJSPQJUABHID-RTBURBONSA-N 1 3 368.566 2.441 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000433938164 559890927 /nfs/dbraw/zinc/89/09/27/559890927.db2.gz CJCRDKCSDLBINZ-OALUTQOASA-N 1 3 366.550 2.146 20 0 FEADHO Cc1cc(NC(=O)CCN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)no1 ZINC000435698709 559928348 /nfs/dbraw/zinc/92/83/48/559928348.db2.gz XBDISMYVXRKUFD-MRXNPFEDSA-N 1 3 374.510 3.017 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NCC3([NH+](C)C)CCC3)cc2)CC1 ZINC000438525053 559980148 /nfs/dbraw/zinc/98/01/48/559980148.db2.gz XXLNITIWEORCFB-UHFFFAOYSA-N 1 3 358.530 2.431 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C(C)C)on1 ZINC000438542011 559980425 /nfs/dbraw/zinc/98/04/25/559980425.db2.gz UJWZUZFEBMVNPP-OAHLLOKOSA-N 1 3 351.495 2.678 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C(C)C)on1 ZINC000438542011 559980426 /nfs/dbraw/zinc/98/04/26/559980426.db2.gz UJWZUZFEBMVNPP-OAHLLOKOSA-N 1 3 351.495 2.678 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(CCN(C)C)C(C)C)[C@H](C)C1 ZINC000440247416 560007459 /nfs/dbraw/zinc/00/74/59/560007459.db2.gz ZRUWDHMYYKQEQW-MSOLQXFVSA-N 1 3 356.555 2.105 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(CCN(C)C)C(C)C)[C@H](C)C1 ZINC000440247416 560007460 /nfs/dbraw/zinc/00/74/60/560007460.db2.gz ZRUWDHMYYKQEQW-MSOLQXFVSA-N 1 3 356.555 2.105 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CN1C1CC1 ZINC000441078801 560023073 /nfs/dbraw/zinc/02/30/73/560023073.db2.gz XIQDFQQYCAJNGZ-CRAIPNDOSA-N 1 3 356.514 2.010 20 0 FEADHO CN1CCN(CC[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)CC1(C)C ZINC000441351163 560029519 /nfs/dbraw/zinc/02/95/19/560029519.db2.gz IVYNSMHYAXHAED-UHFFFAOYSA-N 1 3 352.567 2.029 20 0 FEADHO CCOc1ccc([C@H](C)NC(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000443062401 560068617 /nfs/dbraw/zinc/06/86/17/560068617.db2.gz XCVBADMSTFNAFF-HOTGVXAUSA-N 1 3 363.502 2.332 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1(C)C ZINC000444182073 560104576 /nfs/dbraw/zinc/10/45/76/560104576.db2.gz LBKICCUPPCOJPK-YLJYHZDGSA-N 1 3 351.535 2.290 20 0 FEADHO CCO[C@H]1C[C@](N)(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1(C)C ZINC000444182069 560104650 /nfs/dbraw/zinc/10/46/50/560104650.db2.gz LBKICCUPPCOJPK-PXNSSMCTSA-N 1 3 351.535 2.290 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000446263739 560142865 /nfs/dbraw/zinc/14/28/65/560142865.db2.gz YRPVZEUWLZFZME-KNKQGSTJSA-N 1 3 371.525 2.084 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000446263739 560142866 /nfs/dbraw/zinc/14/28/66/560142866.db2.gz YRPVZEUWLZFZME-KNKQGSTJSA-N 1 3 371.525 2.084 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000446370980 560145109 /nfs/dbraw/zinc/14/51/09/560145109.db2.gz NQZGZWNHMGWCSL-OPYAIIAOSA-N 1 3 363.546 2.432 20 0 FEADHO CC(C)C[C@H]([NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)C(=O)NCCN(C)C ZINC000448022908 560176142 /nfs/dbraw/zinc/17/61/42/560176142.db2.gz QOCNKNXZTMCSCY-KSZLIROESA-N 1 3 363.550 2.128 20 0 FEADHO CC(C)C[C@H]([NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)C(=O)NCCN(C)C ZINC000448022910 560176162 /nfs/dbraw/zinc/17/61/62/560176162.db2.gz QOCNKNXZTMCSCY-SQNIBIBYSA-N 1 3 363.550 2.128 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449148994 560218195 /nfs/dbraw/zinc/21/81/95/560218195.db2.gz LWWBGRBFLRUPHF-INIZCTEOSA-N 1 3 371.447 2.071 20 0 FEADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000449700777 560237481 /nfs/dbraw/zinc/23/74/81/560237481.db2.gz BDDDOHFWTIYLIA-IBGZPJMESA-N 1 3 358.530 2.093 20 0 FEADHO CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](CC[C@H]3CCCCN3C)C2)CC1 ZINC000451526134 560312316 /nfs/dbraw/zinc/31/23/16/560312316.db2.gz BPCIKRVGGGAOQB-NHCUHLMSSA-N 1 3 364.578 2.127 20 0 FEADHO CC(=O)N1CCCN(C[C@@H]2CCC[N@H+](CC[C@H]3CCCCN3C)C2)CC1 ZINC000451526134 560312317 /nfs/dbraw/zinc/31/23/17/560312317.db2.gz BPCIKRVGGGAOQB-NHCUHLMSSA-N 1 3 364.578 2.127 20 0 FEADHO CC(C)N1CCN(CCC[N@H+](C)C2CCN(CC(F)(F)F)CC2)CC1 ZINC000452028004 560346463 /nfs/dbraw/zinc/34/64/63/560346463.db2.gz BCIMKODQYAOQOE-UHFFFAOYSA-N 1 3 364.500 2.361 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+](C)C2CCN(CC(F)(F)F)CC2)CC1 ZINC000452028004 560346464 /nfs/dbraw/zinc/34/64/64/560346464.db2.gz BCIMKODQYAOQOE-UHFFFAOYSA-N 1 3 364.500 2.361 20 0 FEADHO CC1(C(=O)NC[C@@H]2CCCCN2CCO)CC[NH+](Cc2ccccc2)CC1 ZINC000452370869 560360901 /nfs/dbraw/zinc/36/09/01/560360901.db2.gz GWMBYBGLMNGVND-FQEVSTJZSA-N 1 3 373.541 2.252 20 0 FEADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453592585 560390104 /nfs/dbraw/zinc/39/01/04/560390104.db2.gz KLUCEHVZHHBGDL-HNAYVOBHSA-N 1 3 372.513 2.165 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCN1C ZINC000453702709 560398117 /nfs/dbraw/zinc/39/81/17/560398117.db2.gz AAXYYYTXCIVRTB-BJZITVGISA-N 1 3 372.513 2.115 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)c1 ZINC000454098644 560429032 /nfs/dbraw/zinc/42/90/32/560429032.db2.gz NMMQSMVWGNINRR-IBGZPJMESA-N 1 3 374.529 2.408 20 0 FEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000454613052 560451335 /nfs/dbraw/zinc/45/13/35/560451335.db2.gz STFLLPYYAYOROG-FUHWJXTLSA-N 1 3 356.580 2.233 20 0 FEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccnn1CCN(C)C ZINC000455671811 560491293 /nfs/dbraw/zinc/49/12/93/560491293.db2.gz UNCNPEFBJPRQSU-MRXNPFEDSA-N 1 3 350.511 2.221 20 0 FEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccnn1CCN(C)C ZINC000455671811 560491294 /nfs/dbraw/zinc/49/12/94/560491294.db2.gz UNCNPEFBJPRQSU-MRXNPFEDSA-N 1 3 350.511 2.221 20 0 FEADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H]3CCCN(CCCO)C3)ccc21 ZINC000455872808 560498513 /nfs/dbraw/zinc/49/85/13/560498513.db2.gz ZFVCDHQJISXZKA-IEBWSBKVSA-N 1 3 360.502 2.204 20 0 FEADHO CC(C)(C[NH+]1CCCC1)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000457055575 560546120 /nfs/dbraw/zinc/54/61/20/560546120.db2.gz SFNXKCZCFNUPTQ-UHFFFAOYSA-N 1 3 358.530 2.189 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000458369927 560617733 /nfs/dbraw/zinc/61/77/33/560617733.db2.gz YKYMQZNCNOSHOY-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000458382293 560618912 /nfs/dbraw/zinc/61/89/12/560618912.db2.gz QZDWVHACQAVZCE-ZWKOTPCHSA-N 1 3 368.566 2.033 20 0 FEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000458382293 560618913 /nfs/dbraw/zinc/61/89/13/560618913.db2.gz QZDWVHACQAVZCE-ZWKOTPCHSA-N 1 3 368.566 2.033 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000458503923 560628163 /nfs/dbraw/zinc/62/81/63/560628163.db2.gz QCIYSBZUGSMEGX-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO CN1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460100280 560734489 /nfs/dbraw/zinc/73/44/89/560734489.db2.gz BKAGLYJNNFYRJS-SLFFLAALSA-N 1 3 356.514 2.244 20 0 FEADHO CN1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460100280 560734490 /nfs/dbraw/zinc/73/44/90/560734490.db2.gz BKAGLYJNNFYRJS-SLFFLAALSA-N 1 3 356.514 2.244 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCN1C ZINC000465582677 560869157 /nfs/dbraw/zinc/86/91/57/560869157.db2.gz ZMFONHUGCBZXMK-YLJYHZDGSA-N 1 3 358.530 2.475 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)CC[N@@H+]1C ZINC000465655668 560870596 /nfs/dbraw/zinc/87/05/96/560870596.db2.gz ISQJLYNAJZWJEO-CVEARBPZSA-N 1 3 354.564 2.130 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)CC[N@H+]1C ZINC000465655668 560870598 /nfs/dbraw/zinc/87/05/98/560870598.db2.gz ISQJLYNAJZWJEO-CVEARBPZSA-N 1 3 354.564 2.130 20 0 FEADHO CCN1CCC[C@H](NC(=O)N2CCC(OCC[NH+](CC)CC)CC2)C1 ZINC000465707781 560871526 /nfs/dbraw/zinc/87/15/26/560871526.db2.gz AEZLTPSTUIFTGS-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000465877263 560874585 /nfs/dbraw/zinc/87/45/85/560874585.db2.gz QPYFSHZMAUJHAW-MOPGFXCFSA-N 1 3 368.566 2.393 20 0 FEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000465877263 560874586 /nfs/dbraw/zinc/87/45/86/560874586.db2.gz QPYFSHZMAUJHAW-MOPGFXCFSA-N 1 3 368.566 2.393 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@](C)(OC)C1(C)C ZINC000466670489 560892586 /nfs/dbraw/zinc/89/25/86/560892586.db2.gz RYACERFAZBWACK-UWVAXJGDSA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@](C)(OC)C1(C)C ZINC000466670489 560892587 /nfs/dbraw/zinc/89/25/87/560892587.db2.gz RYACERFAZBWACK-UWVAXJGDSA-N 1 3 368.566 2.248 20 0 FEADHO CCCN1CCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000468182733 560924314 /nfs/dbraw/zinc/92/43/14/560924314.db2.gz JZAZLGUYXABZTG-VQTJNVASSA-N 1 3 359.514 2.134 20 0 FEADHO CCCN1CCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000468182733 560924315 /nfs/dbraw/zinc/92/43/15/560924315.db2.gz JZAZLGUYXABZTG-VQTJNVASSA-N 1 3 359.514 2.134 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000469729712 560963147 /nfs/dbraw/zinc/96/31/47/560963147.db2.gz SOBNYEKTOGSCCO-FPOVZHCZSA-N 1 3 372.557 2.387 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000469729712 560963148 /nfs/dbraw/zinc/96/31/48/560963148.db2.gz SOBNYEKTOGSCCO-FPOVZHCZSA-N 1 3 372.557 2.387 20 0 FEADHO C[C@@H](CN1CCC[C@H](C(=O)NCC[NH3+])C1)c1cccc(Br)c1 ZINC000470008841 560971934 /nfs/dbraw/zinc/97/19/34/560971934.db2.gz NGYIVIWOVKTPFD-ZFWWWQNUSA-N 1 3 368.319 2.340 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCOCCN(C)C)CC1 ZINC000471641674 561009403 /nfs/dbraw/zinc/00/94/03/561009403.db2.gz HMIUBNNBNQDJSP-GOSISDBHSA-N 1 3 368.566 2.251 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCOCCN(C)C)CC1 ZINC000471641674 561009404 /nfs/dbraw/zinc/00/94/04/561009404.db2.gz HMIUBNNBNQDJSP-GOSISDBHSA-N 1 3 368.566 2.251 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC000471975698 561015436 /nfs/dbraw/zinc/01/54/36/561015436.db2.gz COHOTKJRJOYWTD-LMCOJAPRSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCN1C ZINC000471975698 561015437 /nfs/dbraw/zinc/01/54/37/561015437.db2.gz COHOTKJRJOYWTD-LMCOJAPRSA-N 1 3 356.514 2.243 20 0 FEADHO Clc1cnc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000472061952 561017047 /nfs/dbraw/zinc/01/70/47/561017047.db2.gz HMRCJMNJFMILAZ-UHFFFAOYSA-N 1 3 351.907 2.493 20 0 FEADHO CCN1CCCC[C@H]1CNC(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000472987841 561039594 /nfs/dbraw/zinc/03/95/94/561039594.db2.gz GFJKDXWGKIVNAE-ZWKOTPCHSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@H](CCNC(=O)NCCNc1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000473030127 561040758 /nfs/dbraw/zinc/04/07/58/561040758.db2.gz WAIQTFKWLYDRFP-QGZVFWFLSA-N 1 3 355.486 2.125 20 0 FEADHO C[C@H](CCNC(=O)NCCNc1ccncc1)[N@@H+](C)Cc1ccccc1 ZINC000473030127 561040759 /nfs/dbraw/zinc/04/07/59/561040759.db2.gz WAIQTFKWLYDRFP-QGZVFWFLSA-N 1 3 355.486 2.125 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000474216474 561068603 /nfs/dbraw/zinc/06/86/03/561068603.db2.gz OERXTXTYESVSQD-NRFANRHFSA-N 1 3 372.557 2.182 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CO)CCC(C)(C)C)CC2)CC1 ZINC000474250465 561069488 /nfs/dbraw/zinc/06/94/88/561069488.db2.gz ONKKMXFIMMFRIE-QGZVFWFLSA-N 1 3 368.566 2.031 20 0 FEADHO CCOC(=O)c1coc(CNCC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000474820886 561083742 /nfs/dbraw/zinc/08/37/42/561083742.db2.gz ISMZARGAGMCURR-UHFFFAOYSA-N 1 3 363.502 2.496 20 0 FEADHO CCN(C(=O)N[C@H]1CCN(CCOC)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475185848 561092537 /nfs/dbraw/zinc/09/25/37/561092537.db2.gz YSXDWMPNTFNLIM-PMACEKPBSA-N 1 3 374.529 2.013 20 0 FEADHO CCN(C(=O)N[C@H]1CCN(CCOC)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475185848 561092538 /nfs/dbraw/zinc/09/25/38/561092538.db2.gz YSXDWMPNTFNLIM-PMACEKPBSA-N 1 3 374.529 2.013 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000476055697 561110328 /nfs/dbraw/zinc/11/03/28/561110328.db2.gz MWZHYYMMPIFTIM-ROUUACIJSA-N 1 3 368.566 2.438 20 0 FEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000477159095 561138094 /nfs/dbraw/zinc/13/80/94/561138094.db2.gz IZROXCJFFHUIBY-QZTJIDSGSA-N 1 3 368.566 2.297 20 0 FEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000477159095 561138095 /nfs/dbraw/zinc/13/80/95/561138095.db2.gz IZROXCJFFHUIBY-QZTJIDSGSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000528752089 562345730 /nfs/dbraw/zinc/34/57/30/562345730.db2.gz DMPXVWSRKWQTDT-OPOADAIRSA-N 1 3 359.514 2.300 20 0 FEADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529308877 562368528 /nfs/dbraw/zinc/36/85/28/562368528.db2.gz WRQMLRHMSNNGAY-LJQANCHMSA-N 1 3 372.513 2.245 20 0 FEADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529339211 562369959 /nfs/dbraw/zinc/36/99/59/562369959.db2.gz NRQKOKLDTSABQB-ICSRJNTNSA-N 1 3 374.529 2.049 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3[C@H](C)O[C@H](C)[C@H]3C)CC2)CC1 ZINC000529978646 562393484 /nfs/dbraw/zinc/39/34/84/562393484.db2.gz LXJWFSGXCUNXRO-JEWRLFTDSA-N 1 3 351.535 2.111 20 0 FEADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240166 562403611 /nfs/dbraw/zinc/40/36/11/562403611.db2.gz YUQSKDWKROJCOY-FXAWDEMLSA-N 1 3 359.514 2.124 20 0 FEADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000530809499 562424512 /nfs/dbraw/zinc/42/45/12/562424512.db2.gz HTHBCQMEXNUVJF-IFMALSPDSA-N 1 3 373.541 2.394 20 0 FEADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000530809499 562424513 /nfs/dbraw/zinc/42/45/13/562424513.db2.gz HTHBCQMEXNUVJF-IFMALSPDSA-N 1 3 373.541 2.394 20 0 FEADHO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(C)C2CCOCC2)CC1 ZINC000530867192 562426674 /nfs/dbraw/zinc/42/66/74/562426674.db2.gz ZKBLLOYBILEZIK-UHFFFAOYSA-N 1 3 359.514 2.140 20 0 FEADHO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(C)C2CCOCC2)CC1 ZINC000530867192 562426675 /nfs/dbraw/zinc/42/66/75/562426675.db2.gz ZKBLLOYBILEZIK-UHFFFAOYSA-N 1 3 359.514 2.140 20 0 FEADHO COc1ccc(-c2n[nH]cc2CNCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000532374225 562475640 /nfs/dbraw/zinc/47/56/40/562475640.db2.gz SLHAVNLPAJZJSN-UHFFFAOYSA-N 1 3 358.486 2.410 20 0 FEADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000533639478 562515292 /nfs/dbraw/zinc/51/52/92/562515292.db2.gz FYPCTCBKSBIEHA-SXLOBPIMSA-N 1 3 359.514 2.331 20 0 FEADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000533639478 562515293 /nfs/dbraw/zinc/51/52/93/562515293.db2.gz FYPCTCBKSBIEHA-SXLOBPIMSA-N 1 3 359.514 2.331 20 0 FEADHO O=C(NCCNc1cc[nH+]cc1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000534524338 562535885 /nfs/dbraw/zinc/53/58/85/562535885.db2.gz NTHWDTMLVYSPKG-MRXNPFEDSA-N 1 3 373.526 2.188 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](c3cccnc3)C3CC3)CC2)CC1 ZINC000534610195 562538223 /nfs/dbraw/zinc/53/82/23/562538223.db2.gz IORTYBGKJRDNBC-FQEVSTJZSA-N 1 3 371.529 2.391 20 0 FEADHO CCCN(C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000535095940 562550981 /nfs/dbraw/zinc/55/09/81/562550981.db2.gz LXLSBKPZNFKYEX-RBUKOAKNSA-N 1 3 352.567 2.124 20 0 FEADHO CCCN(C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000535095940 562550982 /nfs/dbraw/zinc/55/09/82/562550982.db2.gz LXLSBKPZNFKYEX-RBUKOAKNSA-N 1 3 352.567 2.124 20 0 FEADHO CN(CCC(=O)NCC1(N2CCSCC2)CCCC1)c1cc[nH+]cc1 ZINC000540928969 562597379 /nfs/dbraw/zinc/59/73/79/562597379.db2.gz HFRKJBOEQXWNHQ-UHFFFAOYSA-N 1 3 362.543 2.386 20 0 FEADHO O[C@@H](CN[C@H]1CCc2cccc(Br)c2C1)C[NH+]1CCCC1 ZINC000549723493 562638400 /nfs/dbraw/zinc/63/84/00/562638400.db2.gz VZJZSLYFDAGKSC-GJZGRUSLSA-N 1 3 353.304 2.353 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669110457 567881339 /nfs/dbraw/zinc/88/13/39/567881339.db2.gz ZHDQOERQWQLQHA-QUCCMNQESA-N 1 3 356.514 2.087 20 0 FEADHO CCOC(=O)c1ccc(CN2CCCN(C3CC[NH+](CC)CC3)CC2)[nH]1 ZINC000602699808 568017090 /nfs/dbraw/zinc/01/70/90/568017090.db2.gz ROAYMGJWBQFVBL-UHFFFAOYSA-N 1 3 362.518 2.183 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000604171879 568221243 /nfs/dbraw/zinc/22/12/43/568221243.db2.gz RXLHXDLIQFKMEK-QZTJIDSGSA-N 1 3 368.566 2.107 20 0 FEADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000604185675 568222685 /nfs/dbraw/zinc/22/26/85/568222685.db2.gz SXTSMRWKOUGSLV-HOTGVXAUSA-N 1 3 362.543 2.496 20 0 FEADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@H]1CCN(C2CC2)C1 ZINC000604185675 568222686 /nfs/dbraw/zinc/22/26/86/568222686.db2.gz SXTSMRWKOUGSLV-HOTGVXAUSA-N 1 3 362.543 2.496 20 0 FEADHO CN1CCC(n2cc(NC(=O)NCC(C)(C)C[NH+]3CCCC3)cn2)CC1 ZINC000637083560 568350427 /nfs/dbraw/zinc/35/04/27/568350427.db2.gz HUOUROMATJTMQK-UHFFFAOYSA-N 1 3 362.522 2.393 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3csc(C)n3)CC2)CC1 ZINC000557480874 674450606 /nfs/dbraw/zinc/45/06/06/674450606.db2.gz DDPKJEJGGIHQFD-UHFFFAOYSA-N 1 3 364.559 2.307 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(F)(F)C(F)F)CC2)CC1 ZINC000561316524 674655670 /nfs/dbraw/zinc/65/56/70/674655670.db2.gz SGPOMEJQFMWRRP-UHFFFAOYSA-N 1 3 353.404 2.199 20 0 FEADHO C[C@@H]1CCC[N@H+](CCNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000561483001 674671699 /nfs/dbraw/zinc/67/16/99/674671699.db2.gz ASVNEADQVMUCFJ-QGZVFWFLSA-N 1 3 350.507 2.475 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000561483001 674671701 /nfs/dbraw/zinc/67/17/01/674671701.db2.gz ASVNEADQVMUCFJ-QGZVFWFLSA-N 1 3 350.507 2.475 20 0 FEADHO C[C@H]1CC2(CN1CC(=O)NCCOc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000562969937 674829070 /nfs/dbraw/zinc/82/90/70/674829070.db2.gz NXIMAUWFTSKPBH-HNNXBMFYSA-N 1 3 365.905 2.299 20 0 FEADHO C[C@@H]1CC2(CN1CC(=O)NCCOc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000562969938 674829342 /nfs/dbraw/zinc/82/93/42/674829342.db2.gz NXIMAUWFTSKPBH-OAHLLOKOSA-N 1 3 365.905 2.299 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000565607573 675136166 /nfs/dbraw/zinc/13/61/66/675136166.db2.gz JWSDTQLTZPQNFV-ZHALLVOQSA-N 1 3 351.535 2.114 20 0 FEADHO [NH3+]C[C@H]1CCC[C@H]1NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000576218965 671352751 /nfs/dbraw/zinc/35/27/51/671352751.db2.gz IDCBIVSCKMTXQF-DGCLKSJQSA-N 1 3 350.264 2.451 20 0 FEADHO [NH3+]C[C@H]1CCC[C@H]1NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000576218965 671352753 /nfs/dbraw/zinc/35/27/53/671352753.db2.gz IDCBIVSCKMTXQF-DGCLKSJQSA-N 1 3 350.264 2.451 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC3(COC)CC3)CC2)CC1 ZINC000578024964 671635963 /nfs/dbraw/zinc/63/59/63/671635963.db2.gz LSEFDECEFREWOE-UHFFFAOYSA-N 1 3 351.535 2.116 20 0 FEADHO C[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCC1(F)F ZINC000582393357 671997517 /nfs/dbraw/zinc/99/75/17/671997517.db2.gz ZMCLEEBAUUFTRY-AWEZNQCLSA-N 1 3 358.477 2.232 20 0 FEADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000583141774 672067482 /nfs/dbraw/zinc/06/74/82/672067482.db2.gz WVGXJIGFDFFBHM-XYJFISCASA-N 1 3 353.551 2.358 20 0 FEADHO O=S1(=O)CCCN1c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000680858402 672607554 /nfs/dbraw/zinc/60/75/54/672607554.db2.gz UWNQHVBQKIPLHX-UHFFFAOYSA-N 1 3 363.527 2.191 20 0 FEADHO C[C@H](NC[C@H]1CCCCS1(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000544386393 673709352 /nfs/dbraw/zinc/70/93/52/673709352.db2.gz VCATYZCVVCYWTI-MAUKXSAKSA-N 1 3 354.516 2.245 20 0 FEADHO CC[NH+](CC)CCSCC(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000600684793 673791553 /nfs/dbraw/zinc/79/15/53/673791553.db2.gz YSFFTKUEFXESNC-UHFFFAOYSA-N 1 3 371.591 2.165 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)COCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000746471150 673880081 /nfs/dbraw/zinc/88/00/81/673880081.db2.gz KZTOGKFLHBDRBC-QRFRQXIXSA-N 1 3 350.503 2.235 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)COCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000746471150 673880082 /nfs/dbraw/zinc/88/00/82/673880082.db2.gz KZTOGKFLHBDRBC-QRFRQXIXSA-N 1 3 350.503 2.235 20 0 FEADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1ccc(Br)cc1 ZINC000567160370 675271739 /nfs/dbraw/zinc/27/17/39/675271739.db2.gz DPWXPIDERKLDKC-INIZCTEOSA-N 1 3 369.303 2.405 20 0 FEADHO CCC[C@]1(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCOC1 ZINC000568778577 675399913 /nfs/dbraw/zinc/39/99/13/675399913.db2.gz SJLJUQWGCNJNAW-FQEVSTJZSA-N 1 3 351.535 2.258 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc(Cl)n1 ZINC000825990257 675676986 /nfs/dbraw/zinc/67/69/86/675676986.db2.gz NUPRPPRHWZOIOK-MRXNPFEDSA-N 1 3 359.861 2.177 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1SCCc2sccc21 ZINC000617505603 676288893 /nfs/dbraw/zinc/28/88/93/676288893.db2.gz JPACNTXTVWECBB-BBRMVZONSA-N 1 3 355.573 2.467 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1SCCc2sccc21 ZINC000617505603 676288895 /nfs/dbraw/zinc/28/88/95/676288895.db2.gz JPACNTXTVWECBB-BBRMVZONSA-N 1 3 355.573 2.467 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000617505690 676288946 /nfs/dbraw/zinc/28/89/46/676288946.db2.gz MTVUZRYYMJEXMS-IAOVAPTHSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000617505690 676288944 /nfs/dbraw/zinc/28/89/44/676288944.db2.gz MTVUZRYYMJEXMS-IAOVAPTHSA-N 1 3 353.457 2.457 20 0 FEADHO Cc1nn(C(C)(C)C)c(C)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505226 676288990 /nfs/dbraw/zinc/28/89/90/676288990.db2.gz YIWBXTMWGREGTM-AWEZNQCLSA-N 1 3 351.539 2.257 20 0 FEADHO Cc1nn(C(C)(C)C)c(C)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505226 676288992 /nfs/dbraw/zinc/28/89/92/676288992.db2.gz YIWBXTMWGREGTM-AWEZNQCLSA-N 1 3 351.539 2.257 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCC[C@H](C)O3)CC2)CC1 ZINC000618589119 676345392 /nfs/dbraw/zinc/34/53/92/676345392.db2.gz NWAMMFUTWWDSGY-LPHOPBHVSA-N 1 3 351.535 2.257 20 0 FEADHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)CC1(C)C ZINC000623493234 676537533 /nfs/dbraw/zinc/53/75/33/676537533.db2.gz ZGCLESIFOINCMA-INIZCTEOSA-N 1 3 351.516 2.189 20 0 FEADHO CN1CC[C@@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC1(C)C ZINC000623493907 676537839 /nfs/dbraw/zinc/53/78/39/676537839.db2.gz WPHNYSKSFJOAHA-MRXNPFEDSA-N 1 3 351.516 2.189 20 0 FEADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)C2)cc1 ZINC000632952990 677023341 /nfs/dbraw/zinc/02/33/41/677023341.db2.gz NBKVIDIDIHGZIB-LSDHHAIUSA-N 1 3 358.408 2.148 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635003236 677087230 /nfs/dbraw/zinc/08/72/30/677087230.db2.gz AZCQPFGIFCMJBN-BPMKRMDCSA-N 1 3 351.288 2.429 20 0 FEADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@@H](C)C1 ZINC000638114207 677140275 /nfs/dbraw/zinc/14/02/75/677140275.db2.gz SUFYEKASUIFZIY-WFASDCNBSA-N 1 3 359.923 2.150 20 0 FEADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)[C@@H](C)C1 ZINC000638114207 677140276 /nfs/dbraw/zinc/14/02/76/677140276.db2.gz SUFYEKASUIFZIY-WFASDCNBSA-N 1 3 359.923 2.150 20 0 FEADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC/C=C\C[NH3+] ZINC000641865037 677216838 /nfs/dbraw/zinc/21/68/38/677216838.db2.gz NYYXNPGLZJCKAX-ARJAWSKDSA-N 1 3 358.408 2.294 20 0 FEADHO O[C@H](C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1)Cn1cccn1 ZINC000644548879 677245569 /nfs/dbraw/zinc/24/55/69/677245569.db2.gz RYWZXNRVQPENCT-GOSISDBHSA-N 1 3 362.905 2.399 20 0 FEADHO CC1(OCC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C[NH2+]C1 ZINC000649324123 677329383 /nfs/dbraw/zinc/32/93/83/677329383.db2.gz WRIYAVIYANFDOZ-UHFFFAOYSA-N 1 3 365.905 2.047 20 0 FEADHO CSc1ccc([C@H](CNC(=O)NCCC2(C[NH3+])CC2)N(C)C)cc1 ZINC000652196531 677475613 /nfs/dbraw/zinc/47/56/13/677475613.db2.gz WSRDSCXMVJEZBH-INIZCTEOSA-N 1 3 350.532 2.439 20 0 FEADHO CN(C)C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1ccc(Cl)cc1 ZINC000655064312 677620470 /nfs/dbraw/zinc/62/04/70/677620470.db2.gz VFXGKROBGOQYCS-QGZVFWFLSA-N 1 3 363.893 2.131 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655467793 677642398 /nfs/dbraw/zinc/64/23/98/677642398.db2.gz KJBYLPUNQCHIJQ-QFBILLFUSA-N 1 3 351.441 2.245 20 0 FEADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)NCc1cc(F)cc(F)c1 ZINC000662294577 678601125 /nfs/dbraw/zinc/60/11/25/678601125.db2.gz CMZIUQXZFNFDGU-INIZCTEOSA-N 1 3 351.441 2.293 20 0 FEADHO [NH3+][C@H](CCC(=O)NC1CCN([C@H]2CCOC2)CC1)CC1CCCCC1 ZINC000662707435 678652982 /nfs/dbraw/zinc/65/29/82/678652982.db2.gz DYWQBUTXTIPHLS-MJGOQNOKSA-N 1 3 351.535 2.434 20 0 FEADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2nc3c(s2)CNCC3)cc1 ZINC000663498276 678748220 /nfs/dbraw/zinc/74/82/20/678748220.db2.gz RXMTZFWQPVCVCR-RDJZCZTQSA-N 1 3 358.511 2.033 20 0 FEADHO CCc1nc([C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cs1 ZINC000664084647 678829822 /nfs/dbraw/zinc/82/98/22/678829822.db2.gz ZCQXFWGYXZSFKT-UONOGXRCSA-N 1 3 355.552 2.338 20 0 FEADHO CCc1nc([C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cs1 ZINC000664084647 678829825 /nfs/dbraw/zinc/82/98/25/678829825.db2.gz ZCQXFWGYXZSFKT-UONOGXRCSA-N 1 3 355.552 2.338 20 0 FEADHO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664330121 678864241 /nfs/dbraw/zinc/86/42/41/678864241.db2.gz ZGRDRTLAENLFAT-KSZLIROESA-N 1 3 356.555 2.009 20 0 FEADHO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664330121 678864244 /nfs/dbraw/zinc/86/42/44/678864244.db2.gz ZGRDRTLAENLFAT-KSZLIROESA-N 1 3 356.555 2.009 20 0 FEADHO Cc1c(Br)cncc1CN(C)CCC[N@@H+](C)CCN(C)C ZINC000668176091 679153466 /nfs/dbraw/zinc/15/34/66/679153466.db2.gz IUEOAIVGWQXZPI-UHFFFAOYSA-N 1 3 357.340 2.468 20 0 FEADHO Cc1c(Br)cncc1CN(C)CCC[N@H+](C)CCN(C)C ZINC000668176091 679153467 /nfs/dbraw/zinc/15/34/67/679153467.db2.gz IUEOAIVGWQXZPI-UHFFFAOYSA-N 1 3 357.340 2.468 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COCc2cccc(OC)c2)[C@@H](C)C1 ZINC000749345736 680041896 /nfs/dbraw/zinc/04/18/96/680041896.db2.gz DZVCRPMTXNDKQZ-HQRMLTQVSA-N 1 3 350.503 2.235 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COCc2cccc(OC)c2)[C@@H](C)C1 ZINC000749345736 680041899 /nfs/dbraw/zinc/04/18/99/680041899.db2.gz DZVCRPMTXNDKQZ-HQRMLTQVSA-N 1 3 350.503 2.235 20 0 FEADHO Cc1nc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001023993358 680277049 /nfs/dbraw/zinc/27/70/49/680277049.db2.gz DXSZYAHBSPGVEI-KBRIMQKVSA-N 1 3 364.559 2.428 20 0 FEADHO Cc1nc(CNC[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001023993358 680277051 /nfs/dbraw/zinc/27/70/51/680277051.db2.gz DXSZYAHBSPGVEI-KBRIMQKVSA-N 1 3 364.559 2.428 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNCc3nc(C)cs3)C2)CC[N@@H+]1C ZINC000983714291 680323489 /nfs/dbraw/zinc/32/34/89/680323489.db2.gz PGYQZYRSOLLNKB-YHUYYLMFSA-N 1 3 350.532 2.166 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNCc3nc(C)cs3)C2)CC[N@H+]1C ZINC000983714291 680323493 /nfs/dbraw/zinc/32/34/93/680323493.db2.gz PGYQZYRSOLLNKB-YHUYYLMFSA-N 1 3 350.532 2.166 20 0 FEADHO Cc1nc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001026853970 680350955 /nfs/dbraw/zinc/35/09/55/680350955.db2.gz XDZUQLGXVFYAPD-DAXOMENPSA-N 1 3 350.532 2.038 20 0 FEADHO Cc1nc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001026853970 680350958 /nfs/dbraw/zinc/35/09/58/680350958.db2.gz XDZUQLGXVFYAPD-DAXOMENPSA-N 1 3 350.532 2.038 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc(Cl)n1 ZINC000841848267 680914723 /nfs/dbraw/zinc/91/47/23/680914723.db2.gz GRWZBXJUWSFVHN-JKSUJKDBSA-N 1 3 350.894 2.424 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1cccc(Br)c1 ZINC000848987767 681647457 /nfs/dbraw/zinc/64/74/57/681647457.db2.gz YWSRBQKHSJZEBZ-GJZGRUSLSA-N 1 3 369.307 2.081 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1ccccc1Br ZINC000849117076 681658424 /nfs/dbraw/zinc/65/84/24/681658424.db2.gz SMCXIHTZJQJKNF-DOMZBBRYSA-N 1 3 369.307 2.081 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)N[C@H]1CCc2ccccc2C1 ZINC000849276494 681675949 /nfs/dbraw/zinc/67/59/49/681675949.db2.gz JYZSQLXTEMBDJI-LPHOPBHVSA-N 1 3 362.587 2.280 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)N[C@H]1CCc2ccccc2C1 ZINC000849276494 681675953 /nfs/dbraw/zinc/67/59/53/681675953.db2.gz JYZSQLXTEMBDJI-LPHOPBHVSA-N 1 3 362.587 2.280 20 0 FEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000852013965 682203301 /nfs/dbraw/zinc/20/33/01/682203301.db2.gz XMFQXCNGJMIPGD-IRXDYDNUSA-N 1 3 357.539 2.314 20 0 FEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000852013965 682203306 /nfs/dbraw/zinc/20/33/06/682203306.db2.gz XMFQXCNGJMIPGD-IRXDYDNUSA-N 1 3 357.539 2.314 20 0 FEADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 ZINC000852040377 682207545 /nfs/dbraw/zinc/20/75/45/682207545.db2.gz LEIGILFZHUGSPZ-FCLJQHQZSA-N 1 3 353.507 2.179 20 0 FEADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C2 ZINC000852040377 682207551 /nfs/dbraw/zinc/20/75/51/682207551.db2.gz LEIGILFZHUGSPZ-FCLJQHQZSA-N 1 3 353.507 2.179 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1c(F)cc(F)cc1F ZINC000854093134 682512384 /nfs/dbraw/zinc/51/23/84/682512384.db2.gz WUYMELYKZYHUES-LBPRGKRZSA-N 1 3 360.424 2.175 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1c(F)cc(F)cc1F ZINC000854093134 682512385 /nfs/dbraw/zinc/51/23/85/682512385.db2.gz WUYMELYKZYHUES-LBPRGKRZSA-N 1 3 360.424 2.175 20 0 FEADHO C[C@H]([NH3+])CCNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000857115718 682854549 /nfs/dbraw/zinc/85/45/49/682854549.db2.gz QKCVKLKNCUANNO-ZDUSSCGKSA-N 1 3 371.323 2.260 20 0 FEADHO CN1CC[C@H]([NH2+]CCOCCCNC(=O)OC(C)(C)C)[C@H]2CCC[C@H]21 ZINC000858532943 682977624 /nfs/dbraw/zinc/97/76/24/682977624.db2.gz OUHKVIZKKBWLAD-IXDOHACOSA-N 1 3 355.523 2.380 20 0 FEADHO CN1CCC(NC(=S)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000920310447 683333101 /nfs/dbraw/zinc/33/31/01/683333101.db2.gz PXJGPWJHKKZREE-UHFFFAOYSA-N 1 3 360.571 2.252 20 0 FEADHO C[C@H](NCC[N@@H+]1CCCC1(C)C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862391939 683583270 /nfs/dbraw/zinc/58/32/70/683583270.db2.gz XKNFBTKZKWPJGM-JKSUJKDBSA-N 1 3 355.523 2.475 20 0 FEADHO C[C@H](NCC[N@H+]1CCCC1(C)C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862391939 683583277 /nfs/dbraw/zinc/58/32/77/683583277.db2.gz XKNFBTKZKWPJGM-JKSUJKDBSA-N 1 3 355.523 2.475 20 0 FEADHO CN(Cc1ccccc1Br)C(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923489595 684290858 /nfs/dbraw/zinc/29/08/58/684290858.db2.gz PQLFKWBYONHQMK-CYBMUJFWSA-N 1 3 354.292 2.078 20 0 FEADHO C[C@@H]1CN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923497462 684292379 /nfs/dbraw/zinc/29/23/79/684292379.db2.gz LVVOIFAGFKCNBS-NEPJUHHUSA-N 1 3 361.383 2.377 20 0 FEADHO C[C@@H]1C[C@@H](N(C)S(=O)(=O)[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000923617158 684315821 /nfs/dbraw/zinc/31/58/21/684315821.db2.gz NMOWDOWVZCGBER-NZSAHSFTSA-N 1 3 365.543 2.053 20 0 FEADHO [NH3+]CCC[C@H](NCCS(=O)(=O)NCc1ccccc1)c1ccccc1 ZINC000925601399 684572518 /nfs/dbraw/zinc/57/25/18/684572518.db2.gz LBOQUDGRZQQMHP-IBGZPJMESA-N 1 3 361.511 2.176 20 0 FEADHO [NH3+]CCC[C@H](NC[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccccc1 ZINC000925707734 684579420 /nfs/dbraw/zinc/57/94/20/684579420.db2.gz RETXFYBOHLQJLG-IRXDYDNUSA-N 1 3 360.479 2.291 20 0 FEADHO C[C@@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000873291566 685106081 /nfs/dbraw/zinc/10/60/81/685106081.db2.gz KIRPFJPLVQTFSC-UKRRQHHQSA-N 1 3 370.490 2.039 20 0 FEADHO Cc1cc([C@H](N)CC(=O)NCc2cccc3c2CC[NH2+]C3)cc(Cl)n1 ZINC000877141099 686331728 /nfs/dbraw/zinc/33/17/28/686331728.db2.gz DHAWEKNEKKGPPC-QGZVFWFLSA-N 1 3 358.873 2.395 20 0 FEADHO O=C(NC[C@H]1Cc2ccccc2CN1)c1csc(C2CC[NH2+]CC2)n1 ZINC000877339291 686358024 /nfs/dbraw/zinc/35/80/24/686358024.db2.gz WXCAEGREBRDOJM-MRXNPFEDSA-N 1 3 356.495 2.054 20 0 FEADHO [NH3+]C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1C(F)(F)F ZINC000877359245 686362613 /nfs/dbraw/zinc/36/26/13/686362613.db2.gz GKJFOCUBWSOULZ-CVEARBPZSA-N 1 3 355.404 2.492 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)CC[C@@H]3CC(C)(C)CO3)CC2)CC1 ZINC000878554208 686607329 /nfs/dbraw/zinc/60/73/29/686607329.db2.gz YJDZFOCSOPCJGD-GOSISDBHSA-N 1 3 351.535 2.257 20 0 FEADHO CC(C)[NH+]1CCN(CCCN2CC[C@@H](C(F)(F)F)O[C@H](C)C2)CC1 ZINC000880063362 686991017 /nfs/dbraw/zinc/99/10/17/686991017.db2.gz ZTQLPKDNXCYSBH-CVEARBPZSA-N 1 3 351.457 2.444 20 0 FEADHO C[NH+](C)CCOc1ccc(CNC[C@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000883365893 687614662 /nfs/dbraw/zinc/61/46/62/687614662.db2.gz JHUMWRPBUFIXKU-ZDUSSCGKSA-N 1 3 356.335 2.275 20 0 FEADHO CC(C)C[C@H]1CN(C)CCN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000886602192 688282198 /nfs/dbraw/zinc/28/21/98/688282198.db2.gz LXJMCDBADKNYKU-ACBHZAAOSA-N 1 3 351.535 2.066 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc([S@](C)(=N)=O)cc1 ZINC000888462136 688617153 /nfs/dbraw/zinc/61/71/53/688617153.db2.gz ABORIXUDGAIWHK-HWRSSNJWSA-N 1 3 369.535 2.116 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc([S@](C)(=N)=O)cc1 ZINC000888462136 688617155 /nfs/dbraw/zinc/61/71/55/688617155.db2.gz ABORIXUDGAIWHK-HWRSSNJWSA-N 1 3 369.535 2.116 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)N(C)C)cc1 ZINC000891446041 689063158 /nfs/dbraw/zinc/06/31/58/689063158.db2.gz LPORMZFBQQUMRI-HZPDHXFCSA-N 1 3 354.445 2.142 20 0 FEADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000892609836 689218108 /nfs/dbraw/zinc/21/81/08/689218108.db2.gz BJEJCZZTWVTWRT-MSOLQXFVSA-N 1 3 352.450 2.350 20 0 FEADHO CN(C)Cc1ccc(C[NH2+][C@@H](CO)CC(F)F)c2c1OC(F)(F)O2 ZINC000894566585 689556355 /nfs/dbraw/zinc/55/63/55/689556355.db2.gz MVSWPABHICJWOW-LLVKDONJSA-N 1 3 352.328 2.175 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCSC[C@@H]1C1CC1 ZINC000895666092 689751669 /nfs/dbraw/zinc/75/16/69/689751669.db2.gz KAEQVFUTCLJZIM-DOTOQJQBSA-N 1 3 356.580 2.186 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCSC[C@@H]1C1CC1 ZINC000895666092 689751670 /nfs/dbraw/zinc/75/16/70/689751670.db2.gz KAEQVFUTCLJZIM-DOTOQJQBSA-N 1 3 356.580 2.186 20 0 FEADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000897555098 690038778 /nfs/dbraw/zinc/03/87/78/690038778.db2.gz NHFXNMIENGLWMO-CRAIPNDOSA-N 1 3 350.482 2.460 20 0 FEADHO CN(C)C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000897555098 690038779 /nfs/dbraw/zinc/03/87/79/690038779.db2.gz NHFXNMIENGLWMO-CRAIPNDOSA-N 1 3 350.482 2.460 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)c3nccs3)CC2)CC1 ZINC000900445749 690517473 /nfs/dbraw/zinc/51/74/73/690517473.db2.gz KVYCERNVJLHSEQ-UHFFFAOYSA-N 1 3 350.532 2.096 20 0 FEADHO C[C@@H](N[C@@H]1Cc2cc(Br)cnc2NC1=O)C1CC[NH+](C)CC1 ZINC000903325237 690882210 /nfs/dbraw/zinc/88/22/10/690882210.db2.gz KPKFUIYZLNMVCI-QMTHXVAHSA-N 1 3 367.291 2.027 20 0 FEADHO FC(F)(F)[C@@H]1CCC[C@@H](CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)O1 ZINC000903783784 690972135 /nfs/dbraw/zinc/97/21/35/690972135.db2.gz CXAVNNJAKZENJQ-YVSFHVDLSA-N 1 3 361.452 2.387 20 0 FEADHO CN(C)[S@@](C)(=O)=NCC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000903870439 690982032 /nfs/dbraw/zinc/98/20/32/690982032.db2.gz HCPBLSJCHQSVCS-VWLOTQADSA-N 1 3 364.559 2.119 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)C1 ZINC000903988793 690992543 /nfs/dbraw/zinc/99/25/43/690992543.db2.gz XIZFTGIADYFFMC-HUUCEWRRSA-N 1 3 362.543 2.009 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)C1 ZINC000903988793 690992546 /nfs/dbraw/zinc/99/25/46/690992546.db2.gz XIZFTGIADYFFMC-HUUCEWRRSA-N 1 3 362.543 2.009 20 0 FEADHO CCOC(=O)C1CCN(C2CCN(c3cc(N(C)C)cc[nH+]3)CC2)CC1 ZINC001164617062 719025909 /nfs/dbraw/zinc/02/59/09/719025909.db2.gz JVHNGZHACIHWIN-UHFFFAOYSA-N 1 3 360.502 2.392 20 0 FEADHO Cc1[nH+]c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc2[nH]ccc21 ZINC001164743973 720746051 /nfs/dbraw/zinc/74/60/51/720746051.db2.gz QSNHVXBXQMUABL-GJZGRUSLSA-N 1 3 350.426 2.003 20 0 FEADHO CN(C)c1cc[nH+]c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164865771 721084142 /nfs/dbraw/zinc/08/41/42/721084142.db2.gz PJIWDFOVMSVZRT-OALUTQOASA-N 1 3 353.470 2.022 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cccc4cccnc43)CC2)CC1 ZINC000050799580 540414778 /nfs/dbraw/zinc/41/47/78/540414778.db2.gz JCIXTSPPEPUYDV-UHFFFAOYSA-N 1 3 366.509 2.452 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3-n3cccn3)CC2)CC1 ZINC000050798080 540414980 /nfs/dbraw/zinc/41/49/80/540414980.db2.gz GOPUAUQNEAORMS-UHFFFAOYSA-N 1 3 367.497 2.161 20 0 FEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000054805201 540611377 /nfs/dbraw/zinc/61/13/77/540611377.db2.gz XGFWWOCTWZHFOE-KRWDZBQOSA-N 1 3 359.518 2.424 20 0 FEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000054805201 540611381 /nfs/dbraw/zinc/61/13/81/540611381.db2.gz XGFWWOCTWZHFOE-KRWDZBQOSA-N 1 3 359.518 2.424 20 0 FEADHO CCN1CCN(CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000068277085 541571277 /nfs/dbraw/zinc/57/12/77/541571277.db2.gz ULTZEDXPGGHAHB-UHFFFAOYSA-N 1 3 358.530 2.040 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)N2CCCC2)cc1 ZINC000068598624 541613294 /nfs/dbraw/zinc/61/32/94/541613294.db2.gz LYCXQZYBMRMAIZ-APWZRJJASA-N 1 3 362.518 2.472 20 0 FEADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000068644081 541616067 /nfs/dbraw/zinc/61/60/67/541616067.db2.gz GMPLTLWRVQFXEV-INIZCTEOSA-N 1 3 360.502 2.067 20 0 FEADHO CC(C)N1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000069081669 541655367 /nfs/dbraw/zinc/65/53/67/541655367.db2.gz XVUKWHXAHJJQNT-UHFFFAOYSA-N 1 3 372.557 2.315 20 0 FEADHO CC(C)[NH+](CCNC(=O)CCN1CCN(c2ccccc2)CC1)C(C)C ZINC000072827054 541873938 /nfs/dbraw/zinc/87/39/38/541873938.db2.gz LRSNYRQPNYRJIU-UHFFFAOYSA-N 1 3 360.546 2.434 20 0 FEADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000072907137 541892312 /nfs/dbraw/zinc/89/23/12/541892312.db2.gz CVZVFKLZGKYILG-IBGZPJMESA-N 1 3 358.530 2.189 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000072956229 541897249 /nfs/dbraw/zinc/89/72/49/541897249.db2.gz KYNQXLXCSXUMKF-IBGZPJMESA-N 1 3 358.530 2.189 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000072956229 541897253 /nfs/dbraw/zinc/89/72/53/541897253.db2.gz KYNQXLXCSXUMKF-IBGZPJMESA-N 1 3 358.530 2.189 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000074229121 542056617 /nfs/dbraw/zinc/05/66/17/542056617.db2.gz RDRSBJQYZDMFBK-QUCCMNQESA-N 1 3 356.514 2.137 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000074229121 542056626 /nfs/dbraw/zinc/05/66/26/542056626.db2.gz RDRSBJQYZDMFBK-QUCCMNQESA-N 1 3 356.514 2.137 20 0 FEADHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000076981209 542338497 /nfs/dbraw/zinc/33/84/97/542338497.db2.gz OTUVNEOEIAZYHW-FQEVSTJZSA-N 1 3 356.514 2.388 20 0 FEADHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCCN(Cc2ccccc2)CC1 ZINC000076981209 542338500 /nfs/dbraw/zinc/33/85/00/542338500.db2.gz OTUVNEOEIAZYHW-FQEVSTJZSA-N 1 3 356.514 2.388 20 0 FEADHO CCN1CCN(CCC[NH2+][C@H](C)c2sc(CCOC)nc2C)CC1 ZINC000092738984 542884367 /nfs/dbraw/zinc/88/43/67/542884367.db2.gz BLCIUXFSAPLHIF-OAHLLOKOSA-N 1 3 354.564 2.319 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCOC([O-])=NC(N)=O)CC1 ZINC000093190370 542915196 /nfs/dbraw/zinc/91/51/96/542915196.db2.gz DBYJMFGSLJCTND-OAHLLOKOSA-N 1 3 354.495 2.158 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCOC([O-])=NC(N)=O)CC1 ZINC000093190370 542915198 /nfs/dbraw/zinc/91/51/98/542915198.db2.gz DBYJMFGSLJCTND-OAHLLOKOSA-N 1 3 354.495 2.158 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCOC(=O)N=C(N)[O-])CC1 ZINC000093190370 542915199 /nfs/dbraw/zinc/91/51/99/542915199.db2.gz DBYJMFGSLJCTND-OAHLLOKOSA-N 1 3 354.495 2.158 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCOC(=O)N=C(N)[O-])CC1 ZINC000093190370 542915202 /nfs/dbraw/zinc/91/52/02/542915202.db2.gz DBYJMFGSLJCTND-OAHLLOKOSA-N 1 3 354.495 2.158 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)c3ccncc3)CC2)CC1 ZINC000093791258 542940064 /nfs/dbraw/zinc/94/00/64/542940064.db2.gz KVQKUXSHIDSWKO-UHFFFAOYSA-N 1 3 373.545 2.217 20 0 FEADHO c1ncn(-c2ccc(CN3CCC(OCC[NH+]4CCCC4)CC3)cc2)n1 ZINC000093735159 542939622 /nfs/dbraw/zinc/93/96/22/542939622.db2.gz KTXHLWOSLTYYPQ-UHFFFAOYSA-N 1 3 355.486 2.344 20 0 FEADHO C[NH+](C)[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000105150074 543162683 /nfs/dbraw/zinc/16/26/83/543162683.db2.gz UHEJZTQFNVWLLT-MRXNPFEDSA-N 1 3 354.564 2.084 20 0 FEADHO CC(C)[NH2+]C1CCN([C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000108369421 543287644 /nfs/dbraw/zinc/28/76/44/543287644.db2.gz VRDKWKSWZLBDPR-WIYYLYMNSA-N 1 3 372.557 2.228 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000109804520 543339911 /nfs/dbraw/zinc/33/99/11/543339911.db2.gz MVZBBKUTEAGXKG-NRFANRHFSA-N 1 3 372.557 2.055 20 0 FEADHO CC1CC[NH+](C[C@H](O)CNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000109910308 543343614 /nfs/dbraw/zinc/34/36/14/543343614.db2.gz JNGSPLMERSWJQK-HXUWFJFHSA-N 1 3 359.514 2.105 20 0 FEADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000112916954 543467884 /nfs/dbraw/zinc/46/78/84/543467884.db2.gz MGGJLHKKACNVAB-PZJWPPBQSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000112916954 543467886 /nfs/dbraw/zinc/46/78/86/543467886.db2.gz MGGJLHKKACNVAB-PZJWPPBQSA-N 1 3 372.557 2.041 20 0 FEADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000115797614 543586648 /nfs/dbraw/zinc/58/66/48/543586648.db2.gz GHDAJQXQKAXBGX-SFHVURJKSA-N 1 3 358.530 2.418 20 0 FEADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000115797614 543586652 /nfs/dbraw/zinc/58/66/52/543586652.db2.gz GHDAJQXQKAXBGX-SFHVURJKSA-N 1 3 358.530 2.418 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000128554687 544058930 /nfs/dbraw/zinc/05/89/30/544058930.db2.gz OHGIMIGQPVIKCE-HBFSDRIKSA-N 1 3 358.530 2.044 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000128554687 544058933 /nfs/dbraw/zinc/05/89/33/544058933.db2.gz OHGIMIGQPVIKCE-HBFSDRIKSA-N 1 3 358.530 2.044 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000128570002 544060656 /nfs/dbraw/zinc/06/06/56/544060656.db2.gz VTUHHADHDKQDTJ-LJQANCHMSA-N 1 3 374.529 2.313 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000128570002 544060659 /nfs/dbraw/zinc/06/06/59/544060659.db2.gz VTUHHADHDKQDTJ-LJQANCHMSA-N 1 3 374.529 2.313 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cnc4ccccc4c3)CC2)CC1 ZINC000130366855 544148348 /nfs/dbraw/zinc/14/83/48/544148348.db2.gz RMTLZKHBFBGGFI-UHFFFAOYSA-N 1 3 366.509 2.452 20 0 FEADHO COc1ccc([C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1F ZINC000153067457 544728902 /nfs/dbraw/zinc/72/89/02/544728902.db2.gz VHYCYZIAUABKNP-CQSZACIVSA-N 1 3 354.470 2.030 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@]2(CCOC2)C1 ZINC000154038673 544857222 /nfs/dbraw/zinc/85/72/22/544857222.db2.gz MNLCEMAACMQMJF-GCJKJVERSA-N 1 3 371.525 2.268 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000154325875 544891234 /nfs/dbraw/zinc/89/12/34/544891234.db2.gz SRCSDCQLWUQYFR-MOPGFXCFSA-N 1 3 351.535 2.257 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000154325875 544891236 /nfs/dbraw/zinc/89/12/36/544891236.db2.gz SRCSDCQLWUQYFR-MOPGFXCFSA-N 1 3 351.535 2.257 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc2)CC1 ZINC000154264614 544883055 /nfs/dbraw/zinc/88/30/55/544883055.db2.gz KSVJGTRLKYEGTL-TZIWHRDSSA-N 1 3 370.541 2.385 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc2)CC1 ZINC000154264614 544883059 /nfs/dbraw/zinc/88/30/59/544883059.db2.gz KSVJGTRLKYEGTL-TZIWHRDSSA-N 1 3 370.541 2.385 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000154509144 544914396 /nfs/dbraw/zinc/91/43/96/544914396.db2.gz AXKQVTDJTSUHJJ-MZNJEOGPSA-N 1 3 351.560 2.492 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C3CCOCC3)CC2)CC1 ZINC000553517022 674267400 /nfs/dbraw/zinc/26/74/00/674267400.db2.gz JERIMHWNPCYZHW-INIZCTEOSA-N 1 3 351.535 2.114 20 0 FEADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C12CCC2 ZINC000181975655 327755177 /nfs/dbraw/zinc/75/51/77/327755177.db2.gz FUJRDPPKVPGDSV-OALUTQOASA-N 1 3 359.514 2.415 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000181975842 327755301 /nfs/dbraw/zinc/75/53/01/327755301.db2.gz SCTDQRZFSIEPCI-AQNXPRMDSA-N 1 3 371.525 2.415 20 0 FEADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@](C)(CO)C1CCCCC1)c1ccccc1 ZINC000184585833 327874034 /nfs/dbraw/zinc/87/40/34/327874034.db2.gz ONWDCBZSLMJHNU-PZJWPPBQSA-N 1 3 361.530 2.326 20 0 FEADHO OC1CCN(Cc2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2)CC1 ZINC000186178069 327950138 /nfs/dbraw/zinc/95/01/38/327950138.db2.gz DGCCOHKPMUYBCZ-UHFFFAOYSA-N 1 3 360.498 2.419 20 0 FEADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000187795242 328046691 /nfs/dbraw/zinc/04/66/91/328046691.db2.gz TUYYEGITJYMVKR-IBGZPJMESA-N 1 3 358.530 2.287 20 0 FEADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000189448556 328148933 /nfs/dbraw/zinc/14/89/33/328148933.db2.gz YLXZIEWFOSFKNK-SFHVURJKSA-N 1 3 360.502 2.067 20 0 FEADHO C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000237103868 328504701 /nfs/dbraw/zinc/50/47/01/328504701.db2.gz IVKBLTOOPFPXSO-FQEVSTJZSA-N 1 3 355.482 2.203 20 0 FEADHO CN(C)[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000077671077 325004121 /nfs/dbraw/zinc/00/41/21/325004121.db2.gz RZJQPEACVMTKMP-FXAWDEMLSA-N 1 3 374.529 2.089 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])CC2)c1 ZINC000237402108 328514897 /nfs/dbraw/zinc/51/48/97/328514897.db2.gz YNDMFNHMPJQYES-UYAOXDASSA-N 1 3 358.530 2.093 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC1CCN(CCc2ccccc2)CC1 ZINC000079167096 325078958 /nfs/dbraw/zinc/07/89/58/325078958.db2.gz QFOMKJACRFSEBG-IBGZPJMESA-N 1 3 370.541 2.477 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC1CCN(CCc2ccccc2)CC1 ZINC000079167096 325078963 /nfs/dbraw/zinc/07/89/63/325078963.db2.gz QFOMKJACRFSEBG-IBGZPJMESA-N 1 3 370.541 2.477 20 0 FEADHO CCc1onc(C)c1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000089411459 325315758 /nfs/dbraw/zinc/31/57/58/325315758.db2.gz PVCCWQQXYTYOLN-HNNXBMFYSA-N 1 3 351.495 2.425 20 0 FEADHO CCc1onc(C)c1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000089411459 325315759 /nfs/dbraw/zinc/31/57/59/325315759.db2.gz PVCCWQQXYTYOLN-HNNXBMFYSA-N 1 3 351.495 2.425 20 0 FEADHO C[NH+](C)[C@@H]1CCN(C(=O)NCC2CCN(Cc3ccccc3F)CC2)C1 ZINC000107393582 325627325 /nfs/dbraw/zinc/62/73/25/325627325.db2.gz FMPUNIIVWQREGO-GOSISDBHSA-N 1 3 362.493 2.383 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000119940732 326214542 /nfs/dbraw/zinc/21/45/42/326214542.db2.gz HUCLKQHLVGFKKX-GOSISDBHSA-N 1 3 374.529 2.328 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000119940732 326214544 /nfs/dbraw/zinc/21/45/44/326214544.db2.gz HUCLKQHLVGFKKX-GOSISDBHSA-N 1 3 374.529 2.328 20 0 FEADHO CN(C)c1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000120179510 326238168 /nfs/dbraw/zinc/23/81/68/326238168.db2.gz ULWSPNYGKKTORE-UHFFFAOYSA-N 1 3 362.493 2.180 20 0 FEADHO CCNC(=O)C(C)(C)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000120962358 326302480 /nfs/dbraw/zinc/30/24/80/326302480.db2.gz ZRYFGXPNNJCVRX-UHFFFAOYSA-N 1 3 360.546 2.469 20 0 FEADHO CN(C)Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000121971599 326378778 /nfs/dbraw/zinc/37/87/78/326378778.db2.gz ZWPCWGIJICANPH-WOJBJXKFSA-N 1 3 359.514 2.246 20 0 FEADHO CN(C)Cc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000122359543 326393880 /nfs/dbraw/zinc/39/38/80/326393880.db2.gz ORPOMMJIOGQPIO-WOJBJXKFSA-N 1 3 359.514 2.246 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000122474296 326398250 /nfs/dbraw/zinc/39/82/50/326398250.db2.gz ZMGRHWHSWKRICA-KRWDZBQOSA-N 1 3 374.529 2.315 20 0 FEADHO C[NH+](C)CCOc1cc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccn1 ZINC000136216296 326650725 /nfs/dbraw/zinc/65/07/25/326650725.db2.gz IKFGOMKLHRKJKB-MRXNPFEDSA-N 1 3 364.490 2.121 20 0 FEADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000136445850 326652816 /nfs/dbraw/zinc/65/28/16/326652816.db2.gz LYAFCJYLRJBTRM-IRXDYDNUSA-N 1 3 362.518 2.120 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCSc2ccccc21 ZINC000152890242 326718807 /nfs/dbraw/zinc/71/88/07/326718807.db2.gz NHMCATOQKSTDNV-INIZCTEOSA-N 1 3 350.532 2.358 20 0 FEADHO C[C@H](CN1CCN(C)CC1)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000154990280 326774453 /nfs/dbraw/zinc/77/44/53/326774453.db2.gz CISAWYFJDIIKIE-GOSISDBHSA-N 1 3 362.537 2.058 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000157034911 326852170 /nfs/dbraw/zinc/85/21/70/326852170.db2.gz KFXQPHKHOYWTQW-PMACEKPBSA-N 1 3 361.530 2.069 20 0 FEADHO C[C@H](CCn1cccn1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000159053835 326917422 /nfs/dbraw/zinc/91/74/22/326917422.db2.gz BOQSUEDMCZACMZ-GOSISDBHSA-N 1 3 369.513 2.277 20 0 FEADHO Cc1cc2ncn(C[C@H](O)C[N@@H+]3CC[C@@H]4[C@H](CCCN4C)C3)c2cc1C ZINC000162799246 327034932 /nfs/dbraw/zinc/03/49/32/327034932.db2.gz VLAHIJOXEFEFGE-QWFCFKBJSA-N 1 3 356.514 2.430 20 0 FEADHO Cc1cc2ncn(C[C@H](O)C[N@H+]3CC[C@@H]4[C@H](CCCN4C)C3)c2cc1C ZINC000162799246 327034934 /nfs/dbraw/zinc/03/49/34/327034934.db2.gz VLAHIJOXEFEFGE-QWFCFKBJSA-N 1 3 356.514 2.430 20 0 FEADHO Cc1cc2ncn(C[C@H](O)CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2cc1C ZINC000162799246 327034936 /nfs/dbraw/zinc/03/49/36/327034936.db2.gz VLAHIJOXEFEFGE-QWFCFKBJSA-N 1 3 356.514 2.430 20 0 FEADHO Cc1cc2ncn(C[C@H](O)CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2cc1C ZINC000162799246 327034938 /nfs/dbraw/zinc/03/49/38/327034938.db2.gz VLAHIJOXEFEFGE-QWFCFKBJSA-N 1 3 356.514 2.430 20 0 FEADHO COC1(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CC[NH2+]CC1 ZINC000165730095 327078862 /nfs/dbraw/zinc/07/88/62/327078862.db2.gz CEIVJCHSQLRTCD-IBGZPJMESA-N 1 3 359.514 2.344 20 0 FEADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000165995852 327080339 /nfs/dbraw/zinc/08/03/39/327080339.db2.gz FBFYTMVNHJBJJF-UKRRQHHQSA-N 1 3 360.495 2.237 20 0 FEADHO COC1(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]CC1 ZINC000168514113 327087115 /nfs/dbraw/zinc/08/71/15/327087115.db2.gz HRQOUBHPFBRXSV-HKUYNNGSSA-N 1 3 359.514 2.267 20 0 FEADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc2c(s1)CCC2 ZINC000168929426 327087847 /nfs/dbraw/zinc/08/78/47/327087847.db2.gz IAIXFVQSNVBJTP-INIZCTEOSA-N 1 3 351.560 2.278 20 0 FEADHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000169225560 327088127 /nfs/dbraw/zinc/08/81/27/327088127.db2.gz VCIHAWFLYDIKED-SFHVURJKSA-N 1 3 369.868 2.001 20 0 FEADHO CC1(C)CC(NC(=O)N2CCN(CC3CCOCC3)CC2)CC(C)(C)[NH2+]1 ZINC000172433782 327201762 /nfs/dbraw/zinc/20/17/62/327201762.db2.gz DBFABSSTMAEFPC-UHFFFAOYSA-N 1 3 366.550 2.049 20 0 FEADHO CC(C)[NH+]1CCC(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000172747555 327216807 /nfs/dbraw/zinc/21/68/07/327216807.db2.gz ZITDTPCIIJTXRJ-QZTJIDSGSA-N 1 3 365.562 2.455 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173337630 327250581 /nfs/dbraw/zinc/25/05/81/327250581.db2.gz KPUUNENKLDTVIJ-GOSISDBHSA-N 1 3 372.513 2.021 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1COc2ccccc2C1 ZINC000174060008 327304131 /nfs/dbraw/zinc/30/41/31/327304131.db2.gz DIMPXSTWUADBDU-RTBURBONSA-N 1 3 374.529 2.048 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1COc2ccccc2C1 ZINC000174060008 327304133 /nfs/dbraw/zinc/30/41/33/327304133.db2.gz DIMPXSTWUADBDU-RTBURBONSA-N 1 3 374.529 2.048 20 0 FEADHO O=c1[nH]c(CCN2CCC(OCC[NH+]3CCCC3)CC2)nc2ccccc21 ZINC000174239132 327314723 /nfs/dbraw/zinc/31/47/23/327314723.db2.gz IGGYITSDOCREPU-UHFFFAOYSA-N 1 3 370.497 2.042 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000178013254 327558709 /nfs/dbraw/zinc/55/87/09/327558709.db2.gz NFVGYIBYULOSBO-RBUKOAKNSA-N 1 3 374.529 2.456 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)/C=C/C[NH+](C)C)CC2)c1 ZINC000264671210 329046875 /nfs/dbraw/zinc/04/68/75/329046875.db2.gz YMVXQTGBEUWQJT-JXMROGBWSA-N 1 3 358.530 2.131 20 0 FEADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000267511192 329334477 /nfs/dbraw/zinc/33/44/77/329334477.db2.gz LUMOVNGFFWXULJ-SXLOBPIMSA-N 1 3 374.529 2.059 20 0 FEADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000267511192 329334479 /nfs/dbraw/zinc/33/44/79/329334479.db2.gz LUMOVNGFFWXULJ-SXLOBPIMSA-N 1 3 374.529 2.059 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000268097661 329384830 /nfs/dbraw/zinc/38/48/30/329384830.db2.gz DDUPRAVJKBLYPL-OXQOHEQNSA-N 1 3 374.529 2.299 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000268114396 329386593 /nfs/dbraw/zinc/38/65/93/329386593.db2.gz JXBAKOJUCSOQKS-LMNJBCLMSA-N 1 3 370.541 2.333 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000268114396 329386595 /nfs/dbraw/zinc/38/65/95/329386595.db2.gz JXBAKOJUCSOQKS-LMNJBCLMSA-N 1 3 370.541 2.333 20 0 FEADHO CS[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1N(C)C ZINC000270533058 329608153 /nfs/dbraw/zinc/60/81/53/329608153.db2.gz VWFWQMDBHHXMNS-RBUKOAKNSA-N 1 3 361.555 2.403 20 0 FEADHO CCCN1CC[C@@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414060517 330258584 /nfs/dbraw/zinc/25/85/84/330258584.db2.gz AVJQNYVJPOKFQW-KGLIPLIRSA-N 1 3 356.308 2.321 20 0 FEADHO [NH3+]C1CCN(CCCC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000433163507 330274252 /nfs/dbraw/zinc/27/42/52/330274252.db2.gz PASOJJTVOAUHHB-HXUWFJFHSA-N 1 3 358.530 2.143 20 0 FEADHO COc1cc(C)cc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000155432288 545525017 /nfs/dbraw/zinc/52/50/17/545525017.db2.gz SXPQFVHUNFWVPL-UHFFFAOYSA-N 1 3 374.529 2.361 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000155665706 545555951 /nfs/dbraw/zinc/55/59/51/545555951.db2.gz IESNRUPYJKGZAF-MSOLQXFVSA-N 1 3 358.530 2.490 20 0 FEADHO [NH3+][C@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000158348055 545852444 /nfs/dbraw/zinc/85/24/44/545852444.db2.gz WVFOUODSSQZNIO-RDJZCZTQSA-N 1 3 355.404 2.391 20 0 FEADHO COCC1(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC[NH2+]CC1 ZINC000479189857 561183905 /nfs/dbraw/zinc/18/39/05/561183905.db2.gz FSOHEVCFRLYWLP-RDJZCZTQSA-N 1 3 365.543 2.263 20 0 FEADHO O=C(CN1CCN(CCC2CC[NH2+]CC2)CC1)Nc1ccccc1Cl ZINC000479682644 561194933 /nfs/dbraw/zinc/19/49/33/561194933.db2.gz BQMQWHPBUAKKFM-UHFFFAOYSA-N 1 3 364.921 2.286 20 0 FEADHO CCN1CCCC[C@H]1CNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000175754370 546344427 /nfs/dbraw/zinc/34/44/27/546344427.db2.gz ONWUEWYLZDGAKL-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000175785293 546349872 /nfs/dbraw/zinc/34/98/72/546349872.db2.gz KFIYBMVWDBFKSO-SFHVURJKSA-N 1 3 368.566 2.393 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481064798 561224296 /nfs/dbraw/zinc/22/42/96/561224296.db2.gz XMJGVGPIWFASDY-ZIFCJYIRSA-N 1 3 370.607 2.481 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481064798 561224297 /nfs/dbraw/zinc/22/42/97/561224297.db2.gz XMJGVGPIWFASDY-ZIFCJYIRSA-N 1 3 370.607 2.481 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481064795 561224401 /nfs/dbraw/zinc/22/44/01/561224401.db2.gz XMJGVGPIWFASDY-LMMKCTJWSA-N 1 3 370.607 2.481 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481275713 561229526 /nfs/dbraw/zinc/22/95/26/561229526.db2.gz ONGDQEMQICPPMC-GPMSIDNRSA-N 1 3 370.607 2.479 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)C[C@@H]2CCOC2)CC1 ZINC000178360606 546780187 /nfs/dbraw/zinc/78/01/87/546780187.db2.gz QWVMSPJJSJAECF-SFHVURJKSA-N 1 3 359.514 2.044 20 0 FEADHO CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000481778414 561241893 /nfs/dbraw/zinc/24/18/93/561241893.db2.gz IOWWXQSBKVFQQP-SFHVURJKSA-N 1 3 358.596 2.433 20 0 FEADHO O=C(NC[C@@H]1CCC[NH2+]1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000178769701 546847117 /nfs/dbraw/zinc/84/71/17/546847117.db2.gz SWUGOTSAPNPJDU-DOTOQJQBSA-N 1 3 355.404 2.309 20 0 FEADHO CCN1CCN(C(=O)[C@@H](C)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000178912807 546872399 /nfs/dbraw/zinc/87/23/99/546872399.db2.gz IDXYBDROHGRKFW-LJQANCHMSA-N 1 3 364.578 2.127 20 0 FEADHO C[C@@H](O)C[C@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000179076733 546896054 /nfs/dbraw/zinc/89/60/54/546896054.db2.gz KLRJJYIUPODBEK-YLJYHZDGSA-N 1 3 359.514 2.134 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(CCn2c(C)csc2=O)CC1 ZINC000179677636 546996550 /nfs/dbraw/zinc/99/65/50/546996550.db2.gz QZDQOXWYLPPTSV-UHFFFAOYSA-N 1 3 355.548 2.289 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(CCn2c(C)csc2=O)CC1 ZINC000179677636 546996552 /nfs/dbraw/zinc/99/65/52/546996552.db2.gz QZDQOXWYLPPTSV-UHFFFAOYSA-N 1 3 355.548 2.289 20 0 FEADHO COCC[N@H+](C)CCCC1CCN([C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000179677988 546997436 /nfs/dbraw/zinc/99/74/36/546997436.db2.gz YJIMAJBPNVHNHG-IBGZPJMESA-N 1 3 353.551 2.456 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN([C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000179677988 546997438 /nfs/dbraw/zinc/99/74/38/546997438.db2.gz YJIMAJBPNVHNHG-IBGZPJMESA-N 1 3 353.551 2.456 20 0 FEADHO CCN1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000180877634 547200598 /nfs/dbraw/zinc/20/05/98/547200598.db2.gz NQHPGEYODFPYPU-UXHICEINSA-N 1 3 359.514 2.134 20 0 FEADHO CCN1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000180877634 547200602 /nfs/dbraw/zinc/20/06/02/547200602.db2.gz NQHPGEYODFPYPU-UXHICEINSA-N 1 3 359.514 2.134 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000181895259 547399401 /nfs/dbraw/zinc/39/94/01/547399401.db2.gz KALIMNRSWRNXGJ-SFHVURJKSA-N 1 3 368.566 2.440 20 0 FEADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C12CCC2 ZINC000181975692 547415875 /nfs/dbraw/zinc/41/58/75/547415875.db2.gz FUJRDPPKVPGDSV-MOPGFXCFSA-N 1 3 359.514 2.415 20 0 FEADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000182265737 547463507 /nfs/dbraw/zinc/46/35/07/547463507.db2.gz HFAPFRRAYOYDHR-SFHVURJKSA-N 1 3 371.447 2.370 20 0 FEADHO CCN1CCN(C(=O)[C@H](C)N2CCC(CCC[NH+](CC)CC)CC2)CC1 ZINC000182762208 547548453 /nfs/dbraw/zinc/54/84/53/547548453.db2.gz BDSDJSHLSNRAFG-IBGZPJMESA-N 1 3 366.594 2.373 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC1CCOCC1 ZINC000184741480 547872713 /nfs/dbraw/zinc/87/27/13/547872713.db2.gz KNIPTZBGYMJQEI-IRXDYDNUSA-N 1 3 359.514 2.028 20 0 FEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185293799 547965854 /nfs/dbraw/zinc/96/58/54/547965854.db2.gz YJXAXMYRZUYMCA-IIDMSEBBSA-N 1 3 351.516 2.045 20 0 FEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC[C@H]21 ZINC000485453051 561319597 /nfs/dbraw/zinc/31/95/97/561319597.db2.gz IZYJEDZXPGEKNK-HSALFYBXSA-N 1 3 356.514 2.387 20 0 FEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC[C@H]21 ZINC000485453051 561319598 /nfs/dbraw/zinc/31/95/98/561319598.db2.gz IZYJEDZXPGEKNK-HSALFYBXSA-N 1 3 356.514 2.387 20 0 FEADHO CN1CCC([NH+]2CCC(NCc3cncc(Br)c3)CC2)CC1 ZINC000186611887 548158776 /nfs/dbraw/zinc/15/87/76/548158776.db2.gz PEFBXHQNCADUTH-UHFFFAOYSA-N 1 3 367.335 2.492 20 0 FEADHO CCO[C@H]1C[C@](N)(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000186700997 548177494 /nfs/dbraw/zinc/17/74/94/548177494.db2.gz CEPHNHBTQRJXQL-RXVVDRJESA-N 1 3 359.514 2.300 20 0 FEADHO CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000236820824 548782128 /nfs/dbraw/zinc/78/21/28/548782128.db2.gz OLYXYBIQILIVFZ-QZTJIDSGSA-N 1 3 360.502 2.309 20 0 FEADHO CC[NH+](CC)CCOc1ccc(NC(=O)C[C@@H]2CSCCN2)cc1 ZINC000236885812 548786242 /nfs/dbraw/zinc/78/62/42/548786242.db2.gz JNBOTQITHCZABC-MRXNPFEDSA-N 1 3 351.516 2.441 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1)[C@@H]1CCCN(C)C1 ZINC000237120742 548801898 /nfs/dbraw/zinc/80/18/98/548801898.db2.gz XUPHQVCUMARIIY-IAGOWNOFSA-N 1 3 360.502 2.165 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000237120742 548801899 /nfs/dbraw/zinc/80/18/99/548801899.db2.gz XUPHQVCUMARIIY-IAGOWNOFSA-N 1 3 360.502 2.165 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000237120742 548801900 /nfs/dbraw/zinc/80/19/00/548801900.db2.gz XUPHQVCUMARIIY-IAGOWNOFSA-N 1 3 360.502 2.165 20 0 FEADHO C[C@@H](NC(C)(C)CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000237384587 548823265 /nfs/dbraw/zinc/82/32/65/548823265.db2.gz STQFXPIJGUIUJI-OAHLLOKOSA-N 1 3 370.501 2.062 20 0 FEADHO C[C@]1(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000237552500 548834455 /nfs/dbraw/zinc/83/44/55/548834455.db2.gz BBEUIYZAMCATQG-NRFANRHFSA-N 1 3 359.514 2.174 20 0 FEADHO Cc1ccc(C[NH+]2CCC(CNC(=O)C[C@H]3CSCCN3)CC2)cc1 ZINC000237721953 548847304 /nfs/dbraw/zinc/84/73/04/548847304.db2.gz ZJFAEIHIEUIQJA-IBGZPJMESA-N 1 3 361.555 2.418 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C[C@H](C)O1 ZINC000237773318 548851782 /nfs/dbraw/zinc/85/17/82/548851782.db2.gz FOUPOETUFAXTMT-SYXAYUIZSA-N 1 3 363.546 2.255 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)[C@@H](C)C1 ZINC000245589323 548952550 /nfs/dbraw/zinc/95/25/50/548952550.db2.gz AVQBKJTWJNPISG-ZSYWTGECSA-N 1 3 366.550 2.002 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)[C@@H](C)C1 ZINC000245589323 548952552 /nfs/dbraw/zinc/95/25/52/548952552.db2.gz AVQBKJTWJNPISG-ZSYWTGECSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)C[C@H](C)C1 ZINC000488203134 561385940 /nfs/dbraw/zinc/38/59/40/561385940.db2.gz OWZJJIVLPUMAMA-GUDVDZBRSA-N 1 3 350.551 2.480 20 0 FEADHO CC[NH+](CC)CC1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000488377478 561388938 /nfs/dbraw/zinc/38/89/38/561388938.db2.gz SAYFKSHLTOCGMZ-QGZVFWFLSA-N 1 3 364.486 2.209 20 0 FEADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN([C@H]3C[C@@H]3C)C[C@H](C)C2)C1 ZINC000488793754 561397176 /nfs/dbraw/zinc/39/71/76/561397176.db2.gz IVDQGGWYQMCZHN-VJANTYMQSA-N 1 3 350.551 2.479 20 0 FEADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN([C@H]3C[C@@H]3C)C[C@H](C)C2)C1 ZINC000488793754 561397177 /nfs/dbraw/zinc/39/71/77/561397177.db2.gz IVDQGGWYQMCZHN-VJANTYMQSA-N 1 3 350.551 2.479 20 0 FEADHO CCN1CC[C@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)[C@@H](C)C1 ZINC000247010650 549264200 /nfs/dbraw/zinc/26/42/00/549264200.db2.gz MEIURJXFRAPZGL-ICSRJNTNSA-N 1 3 361.530 2.218 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CCC[C@H]1C[NH+]1CCCCC1)c1ccccc1 ZINC000248403194 549429089 /nfs/dbraw/zinc/42/90/89/549429089.db2.gz XJQRNXQAEACYEO-SFTDATJTSA-N 1 3 372.557 2.356 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)C1 ZINC000489608552 561415434 /nfs/dbraw/zinc/41/54/34/561415434.db2.gz QKSODZYBDQHIPD-INDMIFKZSA-N 1 3 350.551 2.336 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)C1 ZINC000489608552 561415435 /nfs/dbraw/zinc/41/54/35/561415435.db2.gz QKSODZYBDQHIPD-INDMIFKZSA-N 1 3 350.551 2.336 20 0 FEADHO CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249133289 549557784 /nfs/dbraw/zinc/55/77/84/549557784.db2.gz VCMBDTCGXDETAS-CTNGQTDRSA-N 1 3 361.530 2.279 20 0 FEADHO CC(C)C[C@]1(CO)CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249133289 549557788 /nfs/dbraw/zinc/55/77/88/549557788.db2.gz VCMBDTCGXDETAS-CTNGQTDRSA-N 1 3 361.530 2.279 20 0 FEADHO CCc1ccc([C@H]2CNCCN2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000261655404 549740053 /nfs/dbraw/zinc/74/00/53/549740053.db2.gz GNKFISTZRMKDMI-OAQYLSRUSA-N 1 3 372.557 2.184 20 0 FEADHO Cc1nc2ccccc2nc1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261891047 549766786 /nfs/dbraw/zinc/76/67/86/549766786.db2.gz QOQRZVKYRUTYRG-QFBILLFUSA-N 1 3 367.497 2.018 20 0 FEADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261937869 549771935 /nfs/dbraw/zinc/77/19/35/549771935.db2.gz MMTLJRPWNVJMLI-IBGZPJMESA-N 1 3 357.498 2.167 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)C2(C[NH3+])CCOCC2)CCN1Cc1ccccc1 ZINC000262068346 549785721 /nfs/dbraw/zinc/78/57/21/549785721.db2.gz BJWZCESEPPBECI-PKOBYXMFSA-N 1 3 359.514 2.253 20 0 FEADHO CCC[C@](C)(N)C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262172529 549795616 /nfs/dbraw/zinc/79/56/16/549795616.db2.gz XPVHOGSCCVKMIS-CTNGQTDRSA-N 1 3 361.530 2.408 20 0 FEADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@@H](C)C1 ZINC000490267659 561429962 /nfs/dbraw/zinc/42/99/62/561429962.db2.gz HCRLDMJQBIFQIB-KSZLIROESA-N 1 3 350.551 2.480 20 0 FEADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1(C)C ZINC000262753209 549846033 /nfs/dbraw/zinc/84/60/33/549846033.db2.gz AJOVIEXWLJJZQT-GCJKJVERSA-N 1 3 373.541 2.472 20 0 FEADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000263117721 549879091 /nfs/dbraw/zinc/87/90/91/549879091.db2.gz GASOCVJHJITMHA-KXBFYZLASA-N 1 3 360.502 2.099 20 0 FEADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000263117721 549879094 /nfs/dbraw/zinc/87/90/94/549879094.db2.gz GASOCVJHJITMHA-KXBFYZLASA-N 1 3 360.502 2.099 20 0 FEADHO CN(c1ccccc1C[NH2+]C[C@H](O)C1CCOCC1)C1CCN(C)CC1 ZINC000268335579 550051465 /nfs/dbraw/zinc/05/14/65/550051465.db2.gz JSDPJQRCKJSPTQ-NRFANRHFSA-N 1 3 361.530 2.094 20 0 FEADHO CN(c1ccccc1CNC[C@H](O)C1CCOCC1)C1CC[NH+](C)CC1 ZINC000268335579 550051468 /nfs/dbraw/zinc/05/14/68/550051468.db2.gz JSDPJQRCKJSPTQ-NRFANRHFSA-N 1 3 361.530 2.094 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000268865757 550125287 /nfs/dbraw/zinc/12/52/87/550125287.db2.gz WLNZXWXIIPCBBD-VQIMIIECSA-N 1 3 373.497 2.009 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NCCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000268865757 550125289 /nfs/dbraw/zinc/12/52/89/550125289.db2.gz WLNZXWXIIPCBBD-VQIMIIECSA-N 1 3 373.497 2.009 20 0 FEADHO CN(C)Cc1cccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000268974439 550139567 /nfs/dbraw/zinc/13/95/67/550139567.db2.gz PKRFSPZESOVSJA-RTBURBONSA-N 1 3 360.502 2.248 20 0 FEADHO [NH3+]C1(C(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000269299614 550178095 /nfs/dbraw/zinc/17/80/95/550178095.db2.gz QDGPXNZLVWDEBJ-UHFFFAOYSA-N 1 3 364.493 2.434 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000269606034 550210099 /nfs/dbraw/zinc/21/00/99/550210099.db2.gz KHGIDDIAHJTEKX-GUXCAODWSA-N 1 3 371.529 2.389 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000269606034 550210100 /nfs/dbraw/zinc/21/01/00/550210100.db2.gz KHGIDDIAHJTEKX-GUXCAODWSA-N 1 3 371.529 2.389 20 0 FEADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCN3CCN(c4ccccc4)CC3)[C@@H]2C1 ZINC000493469392 561456348 /nfs/dbraw/zinc/45/63/48/561456348.db2.gz ZKFWRHWDEILFJI-TZIWHRDSSA-N 1 3 370.541 2.141 20 0 FEADHO C[N@H+]1CC[C@@H]2CCN(C(=O)CCCN3CCN(c4ccccc4)CC3)[C@@H]2C1 ZINC000493469392 561456349 /nfs/dbraw/zinc/45/63/49/561456349.db2.gz ZKFWRHWDEILFJI-TZIWHRDSSA-N 1 3 370.541 2.141 20 0 FEADHO C[N@H+](CCCO)C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000270368147 550266444 /nfs/dbraw/zinc/26/64/44/550266444.db2.gz LCAAQYDUNQPGKJ-UHFFFAOYSA-N 1 3 359.514 2.201 20 0 FEADHO C[N@@H+](CCCO)C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000270368147 550266446 /nfs/dbraw/zinc/26/64/46/550266446.db2.gz LCAAQYDUNQPGKJ-UHFFFAOYSA-N 1 3 359.514 2.201 20 0 FEADHO COCC1(O)CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000271159058 550346715 /nfs/dbraw/zinc/34/67/15/550346715.db2.gz CLYJXRSLYGJXJD-UHFFFAOYSA-N 1 3 361.530 2.190 20 0 FEADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CC1CCS(=O)(=O)CC1 ZINC000271416971 550373825 /nfs/dbraw/zinc/37/38/25/550373825.db2.gz ZRVWCRUSQMVSDV-UHFFFAOYSA-N 1 3 365.543 2.445 20 0 FEADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CC1CCS(=O)(=O)CC1 ZINC000271416971 550373827 /nfs/dbraw/zinc/37/38/27/550373827.db2.gz ZRVWCRUSQMVSDV-UHFFFAOYSA-N 1 3 365.543 2.445 20 0 FEADHO CCN1CCN(CCC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272292800 550435001 /nfs/dbraw/zinc/43/50/01/550435001.db2.gz OHGRMJSGSPKWHZ-PZJWPPBQSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN(CCC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272292800 550435003 /nfs/dbraw/zinc/43/50/03/550435003.db2.gz OHGRMJSGSPKWHZ-PZJWPPBQSA-N 1 3 372.557 2.041 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)COc2ccccc2C)[C@@H](C)C1 ZINC000274813938 550556676 /nfs/dbraw/zinc/55/66/76/550556676.db2.gz FAPYJZNIJQOFCY-UFYCRDLUSA-N 1 3 364.530 2.461 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)COc2ccccc2C)[C@@H](C)C1 ZINC000274813938 550556677 /nfs/dbraw/zinc/55/66/77/550556677.db2.gz FAPYJZNIJQOFCY-UFYCRDLUSA-N 1 3 364.530 2.461 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000494656557 561473649 /nfs/dbraw/zinc/47/36/49/561473649.db2.gz VVOSOWGMZAHNII-LMMKCTJWSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@H]1C[N@H+](CCCNC(=O)NC[C@H](c2ccccc2)N(C)C)CCCO1 ZINC000277259805 550648846 /nfs/dbraw/zinc/64/88/46/550648846.db2.gz AMESTDLTLHDOIU-PKOBYXMFSA-N 1 3 362.518 2.089 20 0 FEADHO C[C@H]1C[N@@H+](CCCNC(=O)NC[C@H](c2ccccc2)N(C)C)CCCO1 ZINC000277259805 550648847 /nfs/dbraw/zinc/64/88/47/550648847.db2.gz AMESTDLTLHDOIU-PKOBYXMFSA-N 1 3 362.518 2.089 20 0 FEADHO CCN1CCC(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000280093246 550960250 /nfs/dbraw/zinc/96/02/50/550960250.db2.gz WWAUVCVMKLSNKI-KDURUIRLSA-N 1 3 356.514 2.244 20 0 FEADHO CCN1CCC(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000280093246 550960252 /nfs/dbraw/zinc/96/02/52/550960252.db2.gz WWAUVCVMKLSNKI-KDURUIRLSA-N 1 3 356.514 2.244 20 0 FEADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)[C@@H]1C ZINC000280250698 550974394 /nfs/dbraw/zinc/97/43/94/550974394.db2.gz KRWFPPDZIVFXTN-LPWQTFTOSA-N 1 3 360.498 2.321 20 0 FEADHO CS[C@@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@H]1[NH+](C)C ZINC000495731329 561490743 /nfs/dbraw/zinc/49/07/43/561490743.db2.gz ZVKHSQUGBDRFQC-QZTJIDSGSA-N 1 3 356.495 2.365 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC000282046270 551173679 /nfs/dbraw/zinc/17/36/79/551173679.db2.gz LVPUTKKVXICXJH-HXUWFJFHSA-N 1 3 372.557 2.387 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC000282046270 551173681 /nfs/dbraw/zinc/17/36/81/551173681.db2.gz LVPUTKKVXICXJH-HXUWFJFHSA-N 1 3 372.557 2.387 20 0 FEADHO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@@H]3CCCN3C3CC3)cc2)CC1 ZINC000285722224 551800943 /nfs/dbraw/zinc/80/09/43/551800943.db2.gz NISPSSKQAHOIHJ-FQEVSTJZSA-N 1 3 357.498 2.403 20 0 FEADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000286638133 551909245 /nfs/dbraw/zinc/90/92/45/551909245.db2.gz NQFRHONZXPTWRP-MJGOQNOKSA-N 1 3 374.529 2.395 20 0 FEADHO Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCCOCC[NH+](C)C ZINC000499228748 561546246 /nfs/dbraw/zinc/54/62/46/561546246.db2.gz MWYFQYINTSGXDQ-UHFFFAOYSA-N 1 3 352.429 2.435 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000287232219 551979335 /nfs/dbraw/zinc/97/93/35/551979335.db2.gz WLPCGDNFNDWHSZ-KRWDZBQOSA-N 1 3 350.507 2.475 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000287232219 551979337 /nfs/dbraw/zinc/97/93/37/551979337.db2.gz WLPCGDNFNDWHSZ-KRWDZBQOSA-N 1 3 350.507 2.475 20 0 FEADHO CN(C)C[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(F)cc1 ZINC000287611599 552025175 /nfs/dbraw/zinc/02/51/75/552025175.db2.gz MGGVKTPJVLHOCM-AEFFLSMTSA-N 1 3 368.522 2.165 20 0 FEADHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc(-n2ccnn2)c1 ZINC000287686000 552034408 /nfs/dbraw/zinc/03/44/08/552034408.db2.gz MXYVWLPBWMUDOM-RYGJVYDSSA-N 1 3 355.486 2.296 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000288210610 552111088 /nfs/dbraw/zinc/11/10/88/552111088.db2.gz UJPRRKHPCONJBG-ZMYBRWDISA-N 1 3 360.502 2.080 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000288210610 552111089 /nfs/dbraw/zinc/11/10/89/552111089.db2.gz UJPRRKHPCONJBG-ZMYBRWDISA-N 1 3 360.502 2.080 20 0 FEADHO CCC(CC)(CNC(=O)[C@H](N)CCC(=O)OC)[NH2+][C@H](C)c1ccccc1 ZINC000290097475 552426839 /nfs/dbraw/zinc/42/68/39/552426839.db2.gz XLWQXDZFPDUDTC-NVXWUHKLSA-N 1 3 363.502 2.293 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)c(C)n2C)[C@@H](C)C1 ZINC000291304168 552612646 /nfs/dbraw/zinc/61/26/46/552612646.db2.gz XAVVGHLKAWLBKT-HNAYVOBHSA-N 1 3 365.518 2.347 20 0 FEADHO COC(=O)c1cc([C@@H](C)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)oc1C ZINC000292782636 552758156 /nfs/dbraw/zinc/75/81/56/552758156.db2.gz ZEOYDVYRJPELLW-ZIAGYGMSSA-N 1 3 352.475 2.460 20 0 FEADHO CCC[NH2+][C@@H](C)C(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000294695993 552927633 /nfs/dbraw/zinc/92/76/33/552927633.db2.gz AAEIULAWEYDQFC-FXAWDEMLSA-N 1 3 361.530 2.279 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCOC1(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000295341199 552990540 /nfs/dbraw/zinc/99/05/40/552990540.db2.gz XYEYCPVVXHETHR-QFBILLFUSA-N 1 3 359.514 2.313 20 0 FEADHO C[C@@H](NC1CC1)C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000295794479 553059970 /nfs/dbraw/zinc/05/99/70/553059970.db2.gz SGJPLIAYQJMXTQ-UZLBHIALSA-N 1 3 359.514 2.031 20 0 FEADHO CCN1CC[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000502583554 561621477 /nfs/dbraw/zinc/62/14/77/561621477.db2.gz BMTNGJCNVRSURQ-PCCBWWKXSA-N 1 3 371.525 2.220 20 0 FEADHO CCN1CC[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000502583554 561621478 /nfs/dbraw/zinc/62/14/78/561621478.db2.gz BMTNGJCNVRSURQ-PCCBWWKXSA-N 1 3 371.525 2.220 20 0 FEADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cnn(C2CCCC2)c1 ZINC000502725624 561623928 /nfs/dbraw/zinc/62/39/28/561623928.db2.gz YBIHQVSVPRJNJK-GOSISDBHSA-N 1 3 363.550 2.039 20 0 FEADHO CC(C)N1CCN(C2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000503226782 561637245 /nfs/dbraw/zinc/63/72/45/561637245.db2.gz SDIOSYDFORCBLS-IBGZPJMESA-N 1 3 364.578 2.268 20 0 FEADHO CC(C)N1CCN(C2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000503226782 561637246 /nfs/dbraw/zinc/63/72/46/561637246.db2.gz SDIOSYDFORCBLS-IBGZPJMESA-N 1 3 364.578 2.268 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(F)cc3F)CC2)CC1 ZINC000299448116 553564314 /nfs/dbraw/zinc/56/43/14/553564314.db2.gz FIGNDYJOHBJXCK-UHFFFAOYSA-N 1 3 366.456 2.323 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312682224 553756649 /nfs/dbraw/zinc/75/66/49/553756649.db2.gz PIKGRZQEJQLYAE-VQQMMKBISA-N 1 3 371.525 2.157 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312682224 553756650 /nfs/dbraw/zinc/75/66/50/553756650.db2.gz PIKGRZQEJQLYAE-VQQMMKBISA-N 1 3 371.525 2.157 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1cnc2ccccc21 ZINC000505826311 561681925 /nfs/dbraw/zinc/68/19/25/561681925.db2.gz SEJVSGPTUNQKMJ-SFHVURJKSA-N 1 3 371.529 2.301 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1cnc2ccccc21 ZINC000505826311 561681927 /nfs/dbraw/zinc/68/19/27/561681927.db2.gz SEJVSGPTUNQKMJ-SFHVURJKSA-N 1 3 371.529 2.301 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCOc1ccccc1F ZINC000505836402 561682477 /nfs/dbraw/zinc/68/24/77/561682477.db2.gz DGAMNVCTGWTSSV-KRWDZBQOSA-N 1 3 365.493 2.469 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCOc1ccccc1F ZINC000505836402 561682478 /nfs/dbraw/zinc/68/24/78/561682478.db2.gz DGAMNVCTGWTSSV-KRWDZBQOSA-N 1 3 365.493 2.469 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000507514054 561731531 /nfs/dbraw/zinc/73/15/31/561731531.db2.gz SYWSDRQKXBNSHL-HNNXBMFYSA-N 1 3 350.473 2.019 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@]2(CO)C[C@H](C)CC(C)(C)C2)CC1 ZINC000331349619 554249982 /nfs/dbraw/zinc/24/99/82/554249982.db2.gz NNIGXCWNQNGXME-UZLBHIALSA-N 1 3 353.551 2.142 20 0 FEADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCNc1cc[nH+]cc1)N(C)C ZINC000508849285 561775121 /nfs/dbraw/zinc/77/51/21/561775121.db2.gz QNCOZZJPULDFME-LPHOPBHVSA-N 1 3 355.486 2.214 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[C@H]([NH+](C)C)C3)c2)CC1 ZINC000331398023 554257698 /nfs/dbraw/zinc/25/76/98/554257698.db2.gz KYRKHXMHOANWRO-MSOLQXFVSA-N 1 3 359.518 2.433 20 0 FEADHO Cc1ccc([C@@H](C)[C@H](O)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000332770090 554511908 /nfs/dbraw/zinc/51/19/08/554511908.db2.gz PGDUUEGENMYMET-UTKZUKDTSA-N 1 3 373.541 2.134 20 0 FEADHO CCN1CCN(CCCNC(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1 ZINC000510790168 561846483 /nfs/dbraw/zinc/84/64/83/561846483.db2.gz MIOAMEFNHCAVQG-UHFFFAOYSA-N 1 3 372.557 2.428 20 0 FEADHO CCN1CCN(CCCNC(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)CC1 ZINC000510790168 561846484 /nfs/dbraw/zinc/84/64/84/561846484.db2.gz MIOAMEFNHCAVQG-UHFFFAOYSA-N 1 3 372.557 2.428 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)c2)CC1 ZINC000333321978 554602441 /nfs/dbraw/zinc/60/24/41/554602441.db2.gz NCJZRORVXKPEDF-IPELMVKDSA-N 1 3 357.502 2.030 20 0 FEADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC3(N4CCSCC4)CCCCC3)C[C@@H]12 ZINC000333463156 554615770 /nfs/dbraw/zinc/61/57/70/554615770.db2.gz ZLBPJOPBUROWOA-BRWVUGGUSA-N 1 3 366.575 2.117 20 0 FEADHO Cc1ccc(NC(=O)NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1C ZINC000333650958 554630914 /nfs/dbraw/zinc/63/09/14/554630914.db2.gz YZWJEYREUCTZST-MRXNPFEDSA-N 1 3 358.486 2.416 20 0 FEADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333815391 554645694 /nfs/dbraw/zinc/64/56/94/554645694.db2.gz GNUKWHIOQVRHDN-TYCQWZJGSA-N 1 3 371.525 2.178 20 0 FEADHO C[C@@H]1CN(C(=O)NCC2CCN(Cc3cccs3)CC2)CC[C@H]1[NH3+] ZINC000333826827 554647142 /nfs/dbraw/zinc/64/71/42/554647142.db2.gz RZPDEIMXTOAMOG-RHSMWYFYSA-N 1 3 350.532 2.339 20 0 FEADHO CCO[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000333874227 554651066 /nfs/dbraw/zinc/65/10/66/554651066.db2.gz VDHGKWSJLMHKIF-RTBURBONSA-N 1 3 366.550 2.192 20 0 FEADHO C[C@H](CNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)N1CCC[C@@H](C)C1 ZINC000333908892 554654767 /nfs/dbraw/zinc/65/47/67/554654767.db2.gz DLJDHNFWDMFBJH-PSBWJHGTSA-N 1 3 366.550 2.035 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc3c(c2)oc(=O)n3C)[C@H](C)C1 ZINC000510982307 561853144 /nfs/dbraw/zinc/85/31/44/561853144.db2.gz KUQBLJVUSBVBRW-NVXWUHKLSA-N 1 3 361.486 2.358 20 0 FEADHO CCN1CCN(CCC[NH2+]C2CCN(c3cccc(OC)c3)CC2)CC1 ZINC000360887586 554893469 /nfs/dbraw/zinc/89/34/69/554893469.db2.gz JQTSUBMJTOZUBD-UHFFFAOYSA-N 1 3 360.546 2.281 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)c1ccccc1 ZINC000363178938 555047320 /nfs/dbraw/zinc/04/73/20/555047320.db2.gz AMOVRUAKCMMBOI-HXUWFJFHSA-N 1 3 374.529 2.186 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1)c1ccccc1 ZINC000363178938 555047321 /nfs/dbraw/zinc/04/73/21/555047321.db2.gz AMOVRUAKCMMBOI-HXUWFJFHSA-N 1 3 374.529 2.186 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCCN1CCCC[C@H]1C ZINC000363678596 555161952 /nfs/dbraw/zinc/16/19/52/555161952.db2.gz LZSGBECWIFIJSQ-AKHDSKFASA-N 1 3 366.550 2.049 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCCN1CCCC[C@H]1C ZINC000363678596 555161955 /nfs/dbraw/zinc/16/19/55/555161955.db2.gz LZSGBECWIFIJSQ-AKHDSKFASA-N 1 3 366.550 2.049 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000363928842 555216304 /nfs/dbraw/zinc/21/63/04/555216304.db2.gz STMWITKOGJSXKF-AEFFLSMTSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000363928842 555216306 /nfs/dbraw/zinc/21/63/06/555216306.db2.gz STMWITKOGJSXKF-AEFFLSMTSA-N 1 3 366.550 2.002 20 0 FEADHO C[NH+](C)CCOc1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000364001663 555231031 /nfs/dbraw/zinc/23/10/31/555231031.db2.gz NWTYZBFYCNCQHI-MBOZVWFJSA-N 1 3 361.486 2.098 20 0 FEADHO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000364036189 555237566 /nfs/dbraw/zinc/23/75/66/555237566.db2.gz JASCSQIPIYFKCH-HOCLYGCPSA-N 1 3 362.474 2.283 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)CC(C)C ZINC000364126547 555255203 /nfs/dbraw/zinc/25/52/03/555255203.db2.gz PUQRRWXJCGQSHI-MIALQEHNSA-N 1 3 353.551 2.392 20 0 FEADHO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000364133820 555256408 /nfs/dbraw/zinc/25/64/08/555256408.db2.gz XFSIAKFJSOZMQU-ONCXSQPRSA-N 1 3 359.514 2.151 20 0 FEADHO Cc1cccc2nc(CCC(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)[nH]c21 ZINC000364371911 555300918 /nfs/dbraw/zinc/30/09/18/555300918.db2.gz JGUNQRLBCDJIHW-INIZCTEOSA-N 1 3 369.513 2.089 20 0 FEADHO Cc1cccc2nc(CCC(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)[nH]c21 ZINC000364371911 555300919 /nfs/dbraw/zinc/30/09/19/555300919.db2.gz JGUNQRLBCDJIHW-INIZCTEOSA-N 1 3 369.513 2.089 20 0 FEADHO COCC[NH2+]CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccc(Cl)c1 ZINC000364849425 555415006 /nfs/dbraw/zinc/41/50/06/555415006.db2.gz HDPDGGVIIJHGAA-YJBOKZPZSA-N 1 3 353.894 2.075 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000364870629 555420290 /nfs/dbraw/zinc/42/02/90/555420290.db2.gz VJNJGOMZONZCSM-UHFFFAOYSA-N 1 3 362.518 2.032 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)cc1 ZINC000364981450 555456595 /nfs/dbraw/zinc/45/65/95/555456595.db2.gz JZAWNSXDDOMDFP-HKUYNNGSSA-N 1 3 372.513 2.020 20 0 FEADHO CCC[NH+]1CCC(N2CCN(CC3CCC4(CC3)OCCO4)CC2)CC1 ZINC000365204753 555510496 /nfs/dbraw/zinc/51/04/96/555510496.db2.gz QVRYKLAMUNCHTO-UHFFFAOYSA-N 1 3 365.562 2.412 20 0 FEADHO O=C(NC[C@H]1CCCN(CCCOc2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000513205630 561929417 /nfs/dbraw/zinc/92/94/17/561929417.db2.gz FBXYWAZBCAITBU-APWZRJJASA-N 1 3 363.477 2.175 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000365878632 555690673 /nfs/dbraw/zinc/69/06/73/555690673.db2.gz BZLZTLUSWPNLHH-IMFGXOCKSA-N 1 3 359.514 2.367 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000365878632 555690677 /nfs/dbraw/zinc/69/06/77/555690677.db2.gz BZLZTLUSWPNLHH-IMFGXOCKSA-N 1 3 359.514 2.367 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000365912753 555699466 /nfs/dbraw/zinc/69/94/66/555699466.db2.gz SQAPGEMNPGEWCU-MOPGFXCFSA-N 1 3 360.502 2.201 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c1 ZINC000365912753 555699468 /nfs/dbraw/zinc/69/94/68/555699468.db2.gz SQAPGEMNPGEWCU-MOPGFXCFSA-N 1 3 360.502 2.201 20 0 FEADHO C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@H](N)c1ccccc1 ZINC000366322038 555811611 /nfs/dbraw/zinc/81/16/11/555811611.db2.gz IEVISXUQXNGWJH-QUCCMNQESA-N 1 3 372.557 2.389 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCc4ccccc4C3)CC2)CC1 ZINC000514676806 561973523 /nfs/dbraw/zinc/97/35/23/561973523.db2.gz JEWJUVCOTCUEIP-IBGZPJMESA-N 1 3 355.526 2.466 20 0 FEADHO CN1CC[C@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)[C@H]2CCC[C@@H]21 ZINC000367613070 556097230 /nfs/dbraw/zinc/09/72/30/556097230.db2.gz FCTYJRUFOYPIGD-QYZOEREBSA-N 1 3 363.527 2.189 20 0 FEADHO COC1(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCOCC1 ZINC000367674841 556111777 /nfs/dbraw/zinc/11/17/77/556111777.db2.gz WRAMULLARZYSFW-NRFANRHFSA-N 1 3 373.541 2.074 20 0 FEADHO COC1(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCOCC1 ZINC000367674841 556111779 /nfs/dbraw/zinc/11/17/79/556111779.db2.gz WRAMULLARZYSFW-NRFANRHFSA-N 1 3 373.541 2.074 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2N2CCOCC2)CCN1C1CC[NH+](C)CC1 ZINC000368050132 556204465 /nfs/dbraw/zinc/20/44/65/556204465.db2.gz CTQWSIFUOYOWFE-LJQANCHMSA-N 1 3 372.557 2.124 20 0 FEADHO CC[NH+]1CCC(CNC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000515158189 561998467 /nfs/dbraw/zinc/99/84/67/561998467.db2.gz HQIDGCNNAWUBKA-GOSISDBHSA-N 1 3 350.482 2.460 20 0 FEADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000369305444 556569627 /nfs/dbraw/zinc/56/96/27/556569627.db2.gz CHPCZAHGCJGUPX-QXAKKESOSA-N 1 3 374.529 2.278 20 0 FEADHO CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000369432503 556599198 /nfs/dbraw/zinc/59/91/98/556599198.db2.gz MCKJXGSZTRWWIB-RTBURBONSA-N 1 3 374.529 2.014 20 0 FEADHO CCc1nnc2n1C[C@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000369442739 556601771 /nfs/dbraw/zinc/60/17/71/556601771.db2.gz ZEJQFKWFRCDOJG-NVXWUHKLSA-N 1 3 357.502 2.447 20 0 FEADHO C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000369860980 556714916 /nfs/dbraw/zinc/71/49/16/556714916.db2.gz RGQMVEAVGOGULH-MISYRCLQSA-N 1 3 354.498 2.260 20 0 FEADHO CCC[N@H+](CC)CCNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000370014185 556757579 /nfs/dbraw/zinc/75/75/79/556757579.db2.gz XYXAEHMWDPGXPM-UHFFFAOYSA-N 1 3 361.534 2.120 20 0 FEADHO CCC[N@@H+](CC)CCNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000370014185 556757583 /nfs/dbraw/zinc/75/75/83/556757583.db2.gz XYXAEHMWDPGXPM-UHFFFAOYSA-N 1 3 361.534 2.120 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000370055315 556768613 /nfs/dbraw/zinc/76/86/13/556768613.db2.gz IKHFHQONVDWUHM-UXHICEINSA-N 1 3 373.545 2.419 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000370055315 556768616 /nfs/dbraw/zinc/76/86/16/556768616.db2.gz IKHFHQONVDWUHM-UXHICEINSA-N 1 3 373.545 2.419 20 0 FEADHO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000370120784 556786496 /nfs/dbraw/zinc/78/64/96/556786496.db2.gz KBEGXHXPGLEATP-ZWKOTPCHSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@H]1CCC[N@H+]1C1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000370120784 556786499 /nfs/dbraw/zinc/78/64/99/556786499.db2.gz KBEGXHXPGLEATP-ZWKOTPCHSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000370634161 556925887 /nfs/dbraw/zinc/92/58/87/556925887.db2.gz KFNNAYGRZLVYAB-SYYKKAFVSA-N 1 3 371.573 2.050 20 0 FEADHO COc1ccc(NC(=O)[C@H](C)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000371258799 557122796 /nfs/dbraw/zinc/12/27/96/557122796.db2.gz CXJDTBWOVYSRKR-QFBILLFUSA-N 1 3 374.529 2.123 20 0 FEADHO CC1CCC(N(C)C(=O)CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000371260395 557123097 /nfs/dbraw/zinc/12/30/97/557123097.db2.gz MDHHEWCUKLGEMM-AFMYVXGZSA-N 1 3 364.578 2.124 20 0 FEADHO CC1CCN(C[C@@H](O)CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000517576031 562092838 /nfs/dbraw/zinc/09/28/38/562092838.db2.gz IDAISJQINKGJBQ-MOPGFXCFSA-N 1 3 368.566 2.033 20 0 FEADHO CC1CCN(C[C@@H](O)CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000517576031 562092839 /nfs/dbraw/zinc/09/28/39/562092839.db2.gz IDAISJQINKGJBQ-MOPGFXCFSA-N 1 3 368.566 2.033 20 0 FEADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000518092586 562104312 /nfs/dbraw/zinc/10/43/12/562104312.db2.gz DULASNCDCWUWMQ-UHFFFAOYSA-N 1 3 374.529 2.267 20 0 FEADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC[C@H]4CN(C5CC5)CCO4)[C@H]3C2)cc1 ZINC000371605148 557237647 /nfs/dbraw/zinc/23/76/47/557237647.db2.gz HEOKYWMGISNHBH-QESAQDPVSA-N 1 3 355.526 2.350 20 0 FEADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@H]4CN(C5CC5)CCO4)[C@H]3C2)cc1 ZINC000371605148 557237653 /nfs/dbraw/zinc/23/76/53/557237653.db2.gz HEOKYWMGISNHBH-QESAQDPVSA-N 1 3 355.526 2.350 20 0 FEADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CN(C5CC5)CCO4)[C@H]3C2)cc1 ZINC000371605148 557237656 /nfs/dbraw/zinc/23/76/56/557237656.db2.gz HEOKYWMGISNHBH-QESAQDPVSA-N 1 3 355.526 2.350 20 0 FEADHO Cn1cc(N2CC[C@H](NC3CC[NH+](CCc4ccccc4)CC3)C2)cn1 ZINC000372046237 557365484 /nfs/dbraw/zinc/36/54/84/557365484.db2.gz KFGJWPBGLRGFEG-FQEVSTJZSA-N 1 3 353.514 2.296 20 0 FEADHO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC1=CCN(C)CC1 ZINC000372140114 557390697 /nfs/dbraw/zinc/39/06/97/557390697.db2.gz KBJRKQQHJSKUMZ-RDJZCZTQSA-N 1 3 353.507 2.252 20 0 FEADHO CCN(CC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C1CC1 ZINC000372155090 557394734 /nfs/dbraw/zinc/39/47/34/557394734.db2.gz JGDPWYAPJJPMEM-UHFFFAOYSA-N 1 3 364.578 2.125 20 0 FEADHO CC(C)[NH2+]CCCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000519119986 562125397 /nfs/dbraw/zinc/12/53/97/562125397.db2.gz GOSLOKMANXZMNN-UHFFFAOYSA-N 1 3 356.461 2.426 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2CCCCCN2)c1 ZINC000372412815 557464444 /nfs/dbraw/zinc/46/44/44/557464444.db2.gz SZUROWZURWQHFE-SFHVURJKSA-N 1 3 360.502 2.229 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000519358900 562129923 /nfs/dbraw/zinc/12/99/23/562129923.db2.gz PANFYRMQISUWFY-QFBILLFUSA-N 1 3 374.529 2.347 20 0 FEADHO CN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])C1CCN(CCc2ccccn2)CC1 ZINC000519613831 562137164 /nfs/dbraw/zinc/13/71/64/562137164.db2.gz YSQUIRJNXKCMSA-PXNSSMCTSA-N 1 3 358.530 2.455 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1 ZINC000519691491 562140181 /nfs/dbraw/zinc/14/01/81/562140181.db2.gz CVUMUZFOVSDHEU-KRWDZBQOSA-N 1 3 353.470 2.281 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000372987087 557604183 /nfs/dbraw/zinc/60/41/83/557604183.db2.gz ZJRDBHONTWISLM-IBGZPJMESA-N 1 3 351.535 2.401 20 0 FEADHO O[C@H](Cn1cccn1)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374064292 557816528 /nfs/dbraw/zinc/81/65/28/557816528.db2.gz IZWIOHWTOALYJS-LEWJYISDSA-N 1 3 354.498 2.232 20 0 FEADHO O[C@H](Cn1cccn1)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374064292 557816532 /nfs/dbraw/zinc/81/65/32/557816532.db2.gz IZWIOHWTOALYJS-LEWJYISDSA-N 1 3 354.498 2.232 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N2CCC([NH2+]C3CCCC3)CC2)CCCO1 ZINC000375423085 558024473 /nfs/dbraw/zinc/02/44/73/558024473.db2.gz BZMRENDQDWRTBG-KRWDZBQOSA-N 1 3 366.550 2.194 20 0 FEADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376054494 558120416 /nfs/dbraw/zinc/12/04/16/558120416.db2.gz HMQGPLBVCWOJNP-UHMOLFJZSA-N 1 3 371.529 2.199 20 0 FEADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376054494 558120418 /nfs/dbraw/zinc/12/04/18/558120418.db2.gz HMQGPLBVCWOJNP-UHMOLFJZSA-N 1 3 371.529 2.199 20 0 FEADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCN1CCCO[C@H](C)C1)CC2 ZINC000376101961 558127588 /nfs/dbraw/zinc/12/75/88/558127588.db2.gz ZLVFIOMRKDIXPW-QRVBRYPASA-N 1 3 366.550 2.144 20 0 FEADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCN1CCCO[C@H](C)C1)CC2 ZINC000376101961 558127589 /nfs/dbraw/zinc/12/75/89/558127589.db2.gz ZLVFIOMRKDIXPW-QRVBRYPASA-N 1 3 366.550 2.144 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)cc2)CC1 ZINC000376115244 558128815 /nfs/dbraw/zinc/12/88/15/558128815.db2.gz ODFUXMPVVNTFQX-FXAWDEMLSA-N 1 3 356.514 2.041 20 0 FEADHO CC(C)N1CCc2nc(CNCCN3CC[N@H+](C)C(C)(C)C3)sc2C1 ZINC000376753830 558217129 /nfs/dbraw/zinc/21/71/29/558217129.db2.gz PXPRMQWNBISSHP-UHFFFAOYSA-N 1 3 365.591 2.025 20 0 FEADHO CC(C)N1CCc2nc(CNCCN3CC[N@@H+](C)C(C)(C)C3)sc2C1 ZINC000376753830 558217131 /nfs/dbraw/zinc/21/71/31/558217131.db2.gz PXPRMQWNBISSHP-UHFFFAOYSA-N 1 3 365.591 2.025 20 0 FEADHO CC[C@H]1C[C@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000376865734 558231331 /nfs/dbraw/zinc/23/13/31/558231331.db2.gz AILDXTCSUBPGSS-APWZRJJASA-N 1 3 351.535 2.257 20 0 FEADHO CC[C@H]1C[C@@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000376865735 558231414 /nfs/dbraw/zinc/23/14/14/558231414.db2.gz AILDXTCSUBPGSS-LPHOPBHVSA-N 1 3 351.535 2.257 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)c1 ZINC000377760057 558414030 /nfs/dbraw/zinc/41/40/30/558414030.db2.gz IJLZMYXFEHCFAZ-UHFFFAOYSA-N 1 3 374.529 2.145 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)N2CCC[N@H+](C3CCOCC3)CC2)c1 ZINC000377760057 558414032 /nfs/dbraw/zinc/41/40/32/558414032.db2.gz IJLZMYXFEHCFAZ-UHFFFAOYSA-N 1 3 374.529 2.145 20 0 FEADHO CN(CC(=O)N(C1CC1)C1CCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378302478 558523881 /nfs/dbraw/zinc/52/38/81/558523881.db2.gz YKOUYDHDOFJFBU-HXUWFJFHSA-N 1 3 362.562 2.020 20 0 FEADHO C[NH+]1CCC2(CC1)C[C@@H](NC[C@H]1CN(C3CC3)CCO1)c1ccccc1O2 ZINC000378439548 558557377 /nfs/dbraw/zinc/55/73/77/558557377.db2.gz REYDQBCRIKSFGD-AZUAARDMSA-N 1 3 371.525 2.427 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCCN(C(C)C)CC2)[C@H](C)C1 ZINC000523769171 562219375 /nfs/dbraw/zinc/21/93/75/562219375.db2.gz KAHGERCTYJPSMY-MOPGFXCFSA-N 1 3 368.566 2.249 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCCN(C(C)C)CC2)[C@H](C)C1 ZINC000523769171 562219376 /nfs/dbraw/zinc/21/93/76/562219376.db2.gz KAHGERCTYJPSMY-MOPGFXCFSA-N 1 3 368.566 2.249 20 0 FEADHO [NH3+]C[C@@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1 ZINC000390876919 558612812 /nfs/dbraw/zinc/61/28/12/558612812.db2.gz IBIQFMVDVUGBMU-LEWJYISDSA-N 1 3 367.493 2.136 20 0 FEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000523812686 562220349 /nfs/dbraw/zinc/22/03/49/562220349.db2.gz WKPXKNKBXXCYIY-GOSISDBHSA-N 1 3 358.530 2.464 20 0 FEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000523812686 562220350 /nfs/dbraw/zinc/22/03/50/562220350.db2.gz WKPXKNKBXXCYIY-GOSISDBHSA-N 1 3 358.530 2.464 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000410411993 558756087 /nfs/dbraw/zinc/75/60/87/558756087.db2.gz XNXIDUWUZUSXLK-MSOLQXFVSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000410411993 558756089 /nfs/dbraw/zinc/75/60/89/558756089.db2.gz XNXIDUWUZUSXLK-MSOLQXFVSA-N 1 3 360.502 2.053 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)ccc1C[NH+](C)C ZINC000411129641 558842074 /nfs/dbraw/zinc/84/20/74/558842074.db2.gz UNVVHDCBPLEJQB-UHFFFAOYSA-N 1 3 374.529 2.376 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)ccc1CN(C)C ZINC000411176848 558848709 /nfs/dbraw/zinc/84/87/09/558848709.db2.gz HSYUBMPRBNPMKZ-INIZCTEOSA-N 1 3 374.529 2.233 20 0 FEADHO Cc1noc(-c2ccc(C)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c2)n1 ZINC000525885194 562258447 /nfs/dbraw/zinc/25/84/47/562258447.db2.gz XQFXBKXVLOZIOU-UHFFFAOYSA-N 1 3 374.489 2.311 20 0 FEADHO COC(=O)[C@]1(C)CCCN(CC(C)C[N@@H+]2CCC[C@@](C)(C(=O)OC)C2)C1 ZINC000412072729 559009888 /nfs/dbraw/zinc/00/98/88/559009888.db2.gz PVLQMKFNKHAVMO-WOJBJXKFSA-N 1 3 368.518 2.173 20 0 FEADHO COC(=O)[C@]1(C)CCCN(CC(C)C[N@H+]2CCC[C@@](C)(C(=O)OC)C2)C1 ZINC000412072729 559009890 /nfs/dbraw/zinc/00/98/90/559009890.db2.gz PVLQMKFNKHAVMO-WOJBJXKFSA-N 1 3 368.518 2.173 20 0 FEADHO O=C(NC[C@H]1CCCCN1CCO)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412377714 559031947 /nfs/dbraw/zinc/03/19/47/559031947.db2.gz SQLLUMJUPORTJY-HXUWFJFHSA-N 1 3 359.514 2.249 20 0 FEADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000412672355 559049767 /nfs/dbraw/zinc/04/97/67/559049767.db2.gz LGKIXTURUYLSCG-MJUUVYJYSA-N 1 3 373.541 2.370 20 0 FEADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000412672355 559049768 /nfs/dbraw/zinc/04/97/68/559049768.db2.gz LGKIXTURUYLSCG-MJUUVYJYSA-N 1 3 373.541 2.370 20 0 FEADHO CN1CCC(C[NH2+][C@H]2CCCNc3ccccc32)(N2CCOCC2)CC1 ZINC000414182381 559151751 /nfs/dbraw/zinc/15/17/51/559151751.db2.gz DEMGSSJOWXWKCN-FQEVSTJZSA-N 1 3 358.530 2.320 20 0 FEADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000414184472 559151853 /nfs/dbraw/zinc/15/18/53/559151853.db2.gz NYCGJBUKRPSPJV-HOTGVXAUSA-N 1 3 353.532 2.333 20 0 FEADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000414184472 559151855 /nfs/dbraw/zinc/15/18/55/559151855.db2.gz NYCGJBUKRPSPJV-HOTGVXAUSA-N 1 3 353.532 2.333 20 0 FEADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CCOCC1 ZINC000414332480 559156986 /nfs/dbraw/zinc/15/69/86/559156986.db2.gz VFUMKEXWKXVCPM-INIZCTEOSA-N 1 3 359.514 2.289 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000414658947 559177845 /nfs/dbraw/zinc/17/78/45/559177845.db2.gz KNZONMRWRWUDSU-UHFFFAOYSA-N 1 3 368.481 2.113 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)c(C)c2)CC1 ZINC000414728387 559182731 /nfs/dbraw/zinc/18/27/31/559182731.db2.gz BPNONJCNRVZTNR-INIZCTEOSA-N 1 3 369.460 2.241 20 0 FEADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000414745709 559184314 /nfs/dbraw/zinc/18/43/14/559184314.db2.gz PVGAUURFGIJYMF-ROUUACIJSA-N 1 3 374.529 2.231 20 0 FEADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000414745709 559184316 /nfs/dbraw/zinc/18/43/16/559184316.db2.gz PVGAUURFGIJYMF-ROUUACIJSA-N 1 3 374.529 2.231 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)c1 ZINC000414756559 559185391 /nfs/dbraw/zinc/18/53/91/559185391.db2.gz QXNJMNSBQMLXRH-IXDOHACOSA-N 1 3 374.529 2.217 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)[C@@H]3CCCNC3)CC2)cc1 ZINC000414857695 559191082 /nfs/dbraw/zinc/19/10/82/559191082.db2.gz QCFRZAUGXWMPNM-IAGOWNOFSA-N 1 3 365.543 2.126 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000414971939 559197945 /nfs/dbraw/zinc/19/79/45/559197945.db2.gz JASFKMANXTUANE-KBAYOESNSA-N 1 3 370.463 2.248 20 0 FEADHO FC(F)(F)[C@H](CNCc1c[nH]nc1-c1ccccc1)N1CC[NH2+]CC1 ZINC000414985545 559198932 /nfs/dbraw/zinc/19/89/32/559198932.db2.gz MZLBDTCESABUFV-HNNXBMFYSA-N 1 3 353.392 2.002 20 0 FEADHO O=C1CC[C@@H](NCc2ccc(OCC(F)F)cc2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414986306 559199120 /nfs/dbraw/zinc/19/91/20/559199120.db2.gz IPRGTLZYNQTLLM-APWZRJJASA-N 1 3 367.440 2.067 20 0 FEADHO FC(F)(F)[C@@H](CNCc1c[nH]nc1-c1cccs1)N1CC[NH2+]CC1 ZINC000414998869 559199852 /nfs/dbraw/zinc/19/98/52/559199852.db2.gz ZVUUMDVXWMINAR-CYBMUJFWSA-N 1 3 359.421 2.064 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415066555 559203588 /nfs/dbraw/zinc/20/35/88/559203588.db2.gz JHTVTJJQPRMRDS-FQEVSTJZSA-N 1 3 374.554 2.495 20 0 FEADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415069227 559203794 /nfs/dbraw/zinc/20/37/94/559203794.db2.gz OMMGNVLUVHDVEB-NVXWUHKLSA-N 1 3 362.543 2.479 20 0 FEADHO COc1ccccc1SC[C@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415074657 559203994 /nfs/dbraw/zinc/20/39/94/559203994.db2.gz DBMBLVKWCAAGEY-CVEARBPZSA-N 1 3 365.543 2.210 20 0 FEADHO COc1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc(OC)c1O ZINC000415107770 559205613 /nfs/dbraw/zinc/20/56/13/559205613.db2.gz LPBYOZQCUPKLND-DNVCBOLYSA-N 1 3 350.459 2.128 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)o1 ZINC000415119603 559206163 /nfs/dbraw/zinc/20/61/63/559206163.db2.gz YYJNKJRXTFXTGD-HNNXBMFYSA-N 1 3 372.469 2.137 20 0 FEADHO O=C1N[C@@H]2CN(CCSCc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415132936 559207357 /nfs/dbraw/zinc/20/73/57/559207357.db2.gz BLCKJEGJDNAQRR-MOPGFXCFSA-N 1 3 374.554 2.140 20 0 FEADHO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc(OC[C@H]4CCCO4)cc3)C2)nn1 ZINC000415139552 559208083 /nfs/dbraw/zinc/20/80/83/559208083.db2.gz ZWASNHNRWUOJSG-AZUAARDMSA-N 1 3 371.485 2.132 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415172267 559211759 /nfs/dbraw/zinc/21/17/59/559211759.db2.gz SMQDMZNDNAWYHI-LPHOPBHVSA-N 1 3 372.513 2.245 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000527132585 562277447 /nfs/dbraw/zinc/27/74/47/562277447.db2.gz ZIVVCKVXDZHPLY-CYBMUJFWSA-N 1 3 354.461 2.488 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000415449237 559238391 /nfs/dbraw/zinc/23/83/91/559238391.db2.gz QYKZSVZKXIRZMT-DOTOQJQBSA-N 1 3 360.502 2.053 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000415670665 559260324 /nfs/dbraw/zinc/26/03/24/559260324.db2.gz BWTGFOMUGQLUDF-MRXNPFEDSA-N 1 3 360.502 2.054 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000415799489 559272229 /nfs/dbraw/zinc/27/22/29/559272229.db2.gz CEYBPZFASJXZGA-SJLPKXTDSA-N 1 3 372.513 2.245 20 0 FEADHO [NH3+]Cc1cc(NC(=O)NC[C@H]2CCCCN2CCO)cc(C(F)(F)F)c1 ZINC000415965648 559285433 /nfs/dbraw/zinc/28/54/33/559285433.db2.gz FFFCIOAIPZEBIX-OAHLLOKOSA-N 1 3 374.407 2.132 20 0 FEADHO C[C@H](CO)N1CCCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415974116 559286236 /nfs/dbraw/zinc/28/62/36/559286236.db2.gz RLXGRHLXBJINNF-GFCCVEGCSA-N 1 3 374.407 2.085 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)C(F)(F)F ZINC000415994026 559287779 /nfs/dbraw/zinc/28/77/79/559287779.db2.gz KARPLYNDZBWYNB-HUUCEWRRSA-N 1 3 358.408 2.402 20 0 FEADHO CO[C@@H]1CCN(C(=O)NC2CCN(Cc3ccccc3C)CC2)[C@H](C[NH3+])C1 ZINC000416980401 559341803 /nfs/dbraw/zinc/34/18/03/559341803.db2.gz UBFJGHOOHBILKF-VQTJNVASSA-N 1 3 374.529 2.107 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCN[C@@H](C)[C@@H]2C)cc1 ZINC000416990575 559342392 /nfs/dbraw/zinc/34/23/92/559342392.db2.gz NRFKADGOQFQYMQ-IRXDYDNUSA-N 1 3 362.518 2.299 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)C[C@@H]21 ZINC000417017708 559344055 /nfs/dbraw/zinc/34/40/55/559344055.db2.gz HIOHRBJXFQPQCD-SLFFLAALSA-N 1 3 356.514 2.204 20 0 FEADHO COCC1(CNC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC[NH2+]CC1 ZINC000417216331 559353441 /nfs/dbraw/zinc/35/34/41/559353441.db2.gz BAXDTZKXPDOCEH-HKUYNNGSSA-N 1 3 374.529 2.137 20 0 FEADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000417356528 559358970 /nfs/dbraw/zinc/35/89/70/559358970.db2.gz CILOXWIJOMTUEK-JKSUJKDBSA-N 1 3 350.532 2.354 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000417497825 559364690 /nfs/dbraw/zinc/36/46/90/559364690.db2.gz BRICKHHXDIPEQO-PMACEKPBSA-N 1 3 374.529 2.232 20 0 FEADHO O=C(NCC[C@H]1CCC[NH2+]C1)NCc1ccc(OCCN2CCCC2)cc1 ZINC000417598104 559368908 /nfs/dbraw/zinc/36/89/08/559368908.db2.gz XGFPTLHYCDZNJP-GOSISDBHSA-N 1 3 374.529 2.350 20 0 FEADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000417679080 559372071 /nfs/dbraw/zinc/37/20/71/559372071.db2.gz GYLZZDLUZACTME-VQIMIIECSA-N 1 3 358.530 2.450 20 0 FEADHO C[C@@H](NC(=O)NCCCOC1CCN(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000417826892 559378022 /nfs/dbraw/zinc/37/80/22/559378022.db2.gz OZSXBCDWLNJEOW-DLBZAZTESA-N 1 3 362.518 2.093 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CCC(OCCC[NH3+])CC2)CN1Cc1ccccc1 ZINC000417871995 559380314 /nfs/dbraw/zinc/38/03/14/559380314.db2.gz KILJTURJDQNSLB-MJGOQNOKSA-N 1 3 374.529 2.189 20 0 FEADHO CN1CC[C@H](NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[C@H]1c1ccccc1 ZINC000417932316 559382392 /nfs/dbraw/zinc/38/23/92/559382392.db2.gz CRYYNLGIKRGYLK-FUMNGEBKSA-N 1 3 356.514 2.463 20 0 FEADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418021812 559386903 /nfs/dbraw/zinc/38/69/03/559386903.db2.gz AHPMJHACOIITQW-AABGKKOBSA-N 1 3 358.530 2.394 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CCCO1 ZINC000418116149 559390763 /nfs/dbraw/zinc/39/07/63/559390763.db2.gz PXSJEQQPQXAVFK-QYZOEREBSA-N 1 3 366.550 2.051 20 0 FEADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000418168436 559392753 /nfs/dbraw/zinc/39/27/53/559392753.db2.gz LYAGLPQVLHZBOP-DOTOQJQBSA-N 1 3 360.502 2.038 20 0 FEADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000418253530 559395564 /nfs/dbraw/zinc/39/55/64/559395564.db2.gz YYDBOSDZLVVNFN-FQEVSTJZSA-N 1 3 356.514 2.436 20 0 FEADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418424817 559401069 /nfs/dbraw/zinc/40/10/69/559401069.db2.gz KSFVGKBIPJQEKT-PKOBYXMFSA-N 1 3 359.518 2.457 20 0 FEADHO CCCC[C@H](C[NH3+])NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418462306 559402621 /nfs/dbraw/zinc/40/26/21/559402621.db2.gz KCDFNIBJRVPFGZ-SOLBZPMBSA-N 1 3 354.539 2.035 20 0 FEADHO CCN(C(=O)NCC[NH2+]CCOC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000418499409 559404004 /nfs/dbraw/zinc/40/40/04/559404004.db2.gz OAFMZNGLQTUJQH-MJGOQNOKSA-N 1 3 362.518 2.089 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418532504 559405047 /nfs/dbraw/zinc/40/50/47/559405047.db2.gz CFFNNCMFIFAWIS-IBGZPJMESA-N 1 3 350.482 2.289 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418546670 559405583 /nfs/dbraw/zinc/40/55/83/559405583.db2.gz QOVKEALUAPIYKX-FPOVZHCZSA-N 1 3 373.545 2.467 20 0 FEADHO CN(CCN1CCCC1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418574857 559406831 /nfs/dbraw/zinc/40/68/31/559406831.db2.gz WASRHRXXEZVFIJ-MAUKXSAKSA-N 1 3 366.456 2.148 20 0 FEADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418588036 559407148 /nfs/dbraw/zinc/40/71/48/559407148.db2.gz HMROVYCFJUQKFC-SUMWQHHRSA-N 1 3 354.445 2.036 20 0 FEADHO CN(C(=O)N[C@@H](C[NH3+])C1CCCC1)C1CCN(CCc2ccccn2)CC1 ZINC000418612948 559407868 /nfs/dbraw/zinc/40/78/68/559407868.db2.gz FGRJOFLDFCZUFN-FQEVSTJZSA-N 1 3 373.545 2.247 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418622283 559408375 /nfs/dbraw/zinc/40/83/75/559408375.db2.gz MXMCCSOOSBJXJN-SFHVURJKSA-N 1 3 350.482 2.416 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000418630418 559408522 /nfs/dbraw/zinc/40/85/22/559408522.db2.gz FOZDIMTUBFRMPV-ICSRJNTNSA-N 1 3 374.529 2.016 20 0 FEADHO C[NH+](C)CCCOC1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000418636918 559408934 /nfs/dbraw/zinc/40/89/34/559408934.db2.gz MOSAPZFQEFLSAT-FQEVSTJZSA-N 1 3 374.529 2.016 20 0 FEADHO CCc1ccccc1[C@H](N)CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000418651516 559409659 /nfs/dbraw/zinc/40/96/59/559409659.db2.gz LPDHQJZGJOBUMF-XUVXKRRUSA-N 1 3 352.482 2.385 20 0 FEADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CNCCC1(F)F ZINC000418778102 559415598 /nfs/dbraw/zinc/41/55/98/559415598.db2.gz YQQFPEGTDOTJEY-IRXDYDNUSA-N 1 3 366.456 2.147 20 0 FEADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CNCCC1(F)F ZINC000418778102 559415599 /nfs/dbraw/zinc/41/55/99/559415599.db2.gz YQQFPEGTDOTJEY-IRXDYDNUSA-N 1 3 366.456 2.147 20 0 FEADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000418788073 559416166 /nfs/dbraw/zinc/41/61/66/559416166.db2.gz JSRARNCBDNQMPC-XUVXKRRUSA-N 1 3 358.530 2.456 20 0 FEADHO CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCC3([NH+](C)C)CC3)c2C1 ZINC000419794944 559459570 /nfs/dbraw/zinc/45/95/70/559459570.db2.gz ICDMWSHDAAQVNT-OAHLLOKOSA-N 1 3 372.513 2.196 20 0 FEADHO COc1ccc([C@H](CN)C[NH+]2CCC(CN3CCCCC3=O)CC2)cc1 ZINC000420301232 559479143 /nfs/dbraw/zinc/47/91/43/559479143.db2.gz LFMNTTDRUCALBM-LJQANCHMSA-N 1 3 359.514 2.462 20 0 FEADHO C[C@H](OCCCNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420329691 559480935 /nfs/dbraw/zinc/48/09/35/559480935.db2.gz HDJMAUSRLCBSOO-YSIASYRMSA-N 1 3 359.514 2.202 20 0 FEADHO CCCOc1ccc(CNC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420329205 559480951 /nfs/dbraw/zinc/48/09/51/559480951.db2.gz NZJQAZASBKZUDJ-OALUTQOASA-N 1 3 359.514 2.413 20 0 FEADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCCOc1ccccc1F ZINC000420333861 559481227 /nfs/dbraw/zinc/48/12/27/559481227.db2.gz TVYCYHDARVXFKK-IAGOWNOFSA-N 1 3 363.477 2.032 20 0 FEADHO Cc1ccc(CN2CCCN(C(=O)CN[C@H]3CC[NH2+]CC3(C)C)CC2)cc1 ZINC000420355971 559482714 /nfs/dbraw/zinc/48/27/14/559482714.db2.gz FVYAJZWPCHUMTH-FQEVSTJZSA-N 1 3 372.557 2.007 20 0 FEADHO CC(=O)c1ccc(NC(=O)CCN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000420377036 559483933 /nfs/dbraw/zinc/48/39/33/559483933.db2.gz KNGJFYDHBUCGMJ-FPOVZHCZSA-N 1 3 373.497 2.436 20 0 FEADHO COC(=O)c1ccccc1OCCN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420383256 559484286 /nfs/dbraw/zinc/48/42/86/559484286.db2.gz FJYMBBBQLIAFOD-QFBILLFUSA-N 1 3 362.470 2.070 20 0 FEADHO CN(C[C@H]1CCCN1C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000420795143 559505020 /nfs/dbraw/zinc/50/50/20/559505020.db2.gz KTLLJMKGUMQCFK-HXUWFJFHSA-N 1 3 358.530 2.429 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3cccc4c3OCCO4)CC2)CC1 ZINC000420973354 559515768 /nfs/dbraw/zinc/51/57/68/559515768.db2.gz CBBTVOISLHQRTH-UHFFFAOYSA-N 1 3 359.514 2.450 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(Cc3cc(C)c(C(=O)OC)o3)CC2)CC1 ZINC000420986776 559517797 /nfs/dbraw/zinc/51/77/97/559517797.db2.gz YXSKNTWCOWXLSL-UHFFFAOYSA-N 1 3 363.502 2.367 20 0 FEADHO CCN1CCC([N@H+]2CCCN(Cc3cc(C)c(C(=O)OC)o3)CC2)CC1 ZINC000420986776 559517798 /nfs/dbraw/zinc/51/77/98/559517798.db2.gz YXSKNTWCOWXLSL-UHFFFAOYSA-N 1 3 363.502 2.367 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(C(=O)[C@H](c3ccccc3)N(C)C)CC2)CC1 ZINC000422024929 559561249 /nfs/dbraw/zinc/56/12/49/559561249.db2.gz RPBUZIREUXOPSA-NRFANRHFSA-N 1 3 372.557 2.308 20 0 FEADHO CCN1CCC([N@H+]2CCCN(C(=O)[C@H](c3ccccc3)N(C)C)CC2)CC1 ZINC000422024929 559561250 /nfs/dbraw/zinc/56/12/50/559561250.db2.gz RPBUZIREUXOPSA-NRFANRHFSA-N 1 3 372.557 2.308 20 0 FEADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000422610771 559597656 /nfs/dbraw/zinc/59/76/56/559597656.db2.gz QOVNGYBFHPTUJU-YTQUADARSA-N 1 3 362.493 2.254 20 0 FEADHO O=C(COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1)NC1CC1 ZINC000422715542 559604102 /nfs/dbraw/zinc/60/41/02/559604102.db2.gz SJWCXJWCGSKVFG-HBMCJLEFSA-N 1 3 371.525 2.397 20 0 FEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000422772124 559606164 /nfs/dbraw/zinc/60/61/64/559606164.db2.gz YSYMQBODFMQENL-HSALFYBXSA-N 1 3 359.562 2.493 20 0 FEADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000422786489 559606605 /nfs/dbraw/zinc/60/66/05/559606605.db2.gz OZQTVCRKOGNQHH-HZPDHXFCSA-N 1 3 350.507 2.142 20 0 FEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000422806321 559607119 /nfs/dbraw/zinc/60/71/19/559607119.db2.gz HZJQVZBTTBMXCT-AVRDEDQJSA-N 1 3 370.516 2.496 20 0 FEADHO C(N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCC1 ZINC000422842171 559608168 /nfs/dbraw/zinc/60/81/68/559608168.db2.gz FDYXPAFCHXZRGT-FGTMMUONSA-N 1 3 353.576 2.095 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2ccc(N3CCCCC3)nc2)CC[NH2+]CC1 ZINC000422882371 559609597 /nfs/dbraw/zinc/60/95/97/559609597.db2.gz SDTOVYVFVIRVFX-KRWDZBQOSA-N 1 3 374.529 2.483 20 0 FEADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cnccc1N ZINC000422891263 559609992 /nfs/dbraw/zinc/60/99/92/559609992.db2.gz UZEFGASTKDWIEM-MAUKXSAKSA-N 1 3 367.497 2.042 20 0 FEADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cnccc1N ZINC000422891263 559609993 /nfs/dbraw/zinc/60/99/93/559609993.db2.gz UZEFGASTKDWIEM-MAUKXSAKSA-N 1 3 367.497 2.042 20 0 FEADHO COc1cc(OC)c(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000422890849 559610102 /nfs/dbraw/zinc/61/01/02/559610102.db2.gz UATDVACUEKDIEG-RCCFBDPRSA-N 1 3 364.486 2.002 20 0 FEADHO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000422910059 559611002 /nfs/dbraw/zinc/61/10/02/559611002.db2.gz POXRLKSXLFPXEG-OLPBJYBYSA-N 1 3 357.498 2.065 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422909887 559611065 /nfs/dbraw/zinc/61/10/65/559611065.db2.gz PFQIRRRAFYRVFK-PWDMQXDWSA-N 1 3 353.457 2.271 20 0 FEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422909887 559611066 /nfs/dbraw/zinc/61/10/66/559611066.db2.gz PFQIRRRAFYRVFK-PWDMQXDWSA-N 1 3 353.457 2.271 20 0 FEADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CN1CCc2ccccc2C1 ZINC000422962569 559613165 /nfs/dbraw/zinc/61/31/65/559613165.db2.gz CQWVPCQCGFCVDD-CLAROIROSA-N 1 3 357.542 2.306 20 0 FEADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000422965687 559613181 /nfs/dbraw/zinc/61/31/81/559613181.db2.gz PKFHUQOBDCDUPU-UPZYVNNASA-N 1 3 353.510 2.170 20 0 FEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000422965687 559613182 /nfs/dbraw/zinc/61/31/82/559613182.db2.gz PKFHUQOBDCDUPU-UPZYVNNASA-N 1 3 353.510 2.170 20 0 FEADHO O=C1NC2(CCCC2)C(=O)N1CCCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423066199 559617145 /nfs/dbraw/zinc/61/71/45/559617145.db2.gz WJOZQSDBWZDEFQ-GVDBMIGSSA-N 1 3 362.518 2.142 20 0 FEADHO COc1ccc([C@@H](NCCN2CCN(C)C(C)(C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423099199 559618997 /nfs/dbraw/zinc/61/89/97/559618997.db2.gz LRYKVNRWVLZLNL-WOJBJXKFSA-N 1 3 360.546 2.104 20 0 FEADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000423106146 559619203 /nfs/dbraw/zinc/61/92/03/559619203.db2.gz JPJGANIJKBHHCO-ZDUSSCGKSA-N 1 3 352.438 2.186 20 0 FEADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423150357 559620867 /nfs/dbraw/zinc/62/08/67/559620867.db2.gz BSEBNJFSDRBHLT-WWGRRREGSA-N 1 3 359.283 2.456 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000423150357 559620868 /nfs/dbraw/zinc/62/08/68/559620868.db2.gz BSEBNJFSDRBHLT-WWGRRREGSA-N 1 3 359.283 2.456 20 0 FEADHO COCCN1CCC([NH2+][C@H]2CNCC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000423373873 559627027 /nfs/dbraw/zinc/62/70/27/559627027.db2.gz SKPQJJYPNCGAPD-LPHOPBHVSA-N 1 3 353.457 2.111 20 0 FEADHO C[C@@H](N[C@@H](C)CCC[NH3+])c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423452381 559629489 /nfs/dbraw/zinc/62/94/89/559629489.db2.gz JPTJIKYQKWOXNX-DTWKUNHWSA-N 1 3 354.303 2.419 20 0 FEADHO COc1ccc(OC)c([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000423457110 559629640 /nfs/dbraw/zinc/62/96/40/559629640.db2.gz OPJLLKYGFJADMI-ZLXGRDSLSA-N 1 3 361.486 2.001 20 0 FEADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000423936833 559647035 /nfs/dbraw/zinc/64/70/35/559647035.db2.gz FGBBUAPNQRFNSG-IBGZPJMESA-N 1 3 359.514 2.400 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)cc2)CC1 ZINC000423993886 559649552 /nfs/dbraw/zinc/64/95/52/559649552.db2.gz HYFDUPBFYSAWAI-IEBWSBKVSA-N 1 3 358.530 2.274 20 0 FEADHO C[C@@H]1C[C@H](C)N(C(=O)CCN2CCN(c3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000424080387 559654024 /nfs/dbraw/zinc/65/40/24/559654024.db2.gz VLUHTQQDSHIVQV-QYZOEREBSA-N 1 3 358.530 2.031 20 0 FEADHO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000424337856 559661657 /nfs/dbraw/zinc/66/16/57/559661657.db2.gz SKGBFRZSHOYUOL-KZNAEPCWSA-N 1 3 361.486 2.227 20 0 FEADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424470280 559666384 /nfs/dbraw/zinc/66/63/84/559666384.db2.gz QICXZKPZBDYMLY-SLFFLAALSA-N 1 3 356.514 2.435 20 0 FEADHO COC(=O)[C@H](CCN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000425462345 559703360 /nfs/dbraw/zinc/70/33/60/559703360.db2.gz UIOIUHAXXVCNAV-WIYYLYMNSA-N 1 3 373.541 2.434 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425655298 559713367 /nfs/dbraw/zinc/71/33/67/559713367.db2.gz FFUUXOIDRYQRID-XWTMOSNGSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]3CN(C)C[C@H]32)C1 ZINC000425655298 559713368 /nfs/dbraw/zinc/71/33/68/559713368.db2.gz FFUUXOIDRYQRID-XWTMOSNGSA-N 1 3 350.551 2.479 20 0 FEADHO COc1ccc(CC[C@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1O ZINC000426159888 559730835 /nfs/dbraw/zinc/73/08/35/559730835.db2.gz IWUUKTOIYSUPST-FUHWJXTLSA-N 1 3 350.503 2.404 20 0 FEADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)CC1 ZINC000427148230 559749111 /nfs/dbraw/zinc/74/91/11/559749111.db2.gz UQZSIRPEBFDYLP-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CCC(OC)CC1 ZINC000429312537 559795633 /nfs/dbraw/zinc/79/56/33/559795633.db2.gz OVRARTNGXAGDTA-JLAWEPINSA-N 1 3 368.566 2.249 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CCC(OC)CC1 ZINC000429312537 559795634 /nfs/dbraw/zinc/79/56/34/559795634.db2.gz OVRARTNGXAGDTA-JLAWEPINSA-N 1 3 368.566 2.249 20 0 FEADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccccc1 ZINC000429703305 559804262 /nfs/dbraw/zinc/80/42/62/559804262.db2.gz LWXVOZLABOYWQP-UKAVVXHISA-N 1 3 371.525 2.343 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000430595129 559824184 /nfs/dbraw/zinc/82/41/84/559824184.db2.gz HDKCQNBMOKMUGQ-PZJWPPBQSA-N 1 3 372.557 2.089 20 0 FEADHO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC(C[NH3+])CC1 ZINC000430639361 559825245 /nfs/dbraw/zinc/82/52/45/559825245.db2.gz HTUYWOALFVJJGH-ZDUSSCGKSA-N 1 3 368.319 2.467 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)[C@@H](CN)c3ccccc3)CCCC2)CC1 ZINC000430704722 559826744 /nfs/dbraw/zinc/82/67/44/559826744.db2.gz JNBRPWCZWRQBCF-IBGZPJMESA-N 1 3 359.514 2.269 20 0 FEADHO Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CCC3(CC[NH2+]C3)CC2)c(C)c1 ZINC000431026239 559832662 /nfs/dbraw/zinc/83/26/62/559832662.db2.gz RKBVXDSHRRGLTF-MRXNPFEDSA-N 1 3 358.486 2.416 20 0 FEADHO COCC[C@@]1(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[NH2+]C1 ZINC000431056369 559833188 /nfs/dbraw/zinc/83/31/88/559833188.db2.gz CGOONUKBEHJUNX-FPOVZHCZSA-N 1 3 359.514 2.174 20 0 FEADHO C[C@H](CNS(=O)(=O)c1ccc(CN(C)C)cc1)C[NH+]1CCCCC1 ZINC000432874776 559866737 /nfs/dbraw/zinc/86/67/37/559866737.db2.gz FBZAYUQNZLWTHB-MRXNPFEDSA-N 1 3 353.532 2.149 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCCO1 ZINC000433446434 559881525 /nfs/dbraw/zinc/88/15/25/559881525.db2.gz GPJOSJRYSRWRMT-SFHVURJKSA-N 1 3 366.550 2.147 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCN2CCCO[C@@H](C)C2)C[C@H]1C ZINC000433463035 559882032 /nfs/dbraw/zinc/88/20/32/559882032.db2.gz NLQCWLURYZVTEY-SQNIBIBYSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCCN2CCCO[C@@H](C)C2)C[C@H]1C ZINC000433463035 559882033 /nfs/dbraw/zinc/88/20/33/559882033.db2.gz NLQCWLURYZVTEY-SQNIBIBYSA-N 1 3 354.539 2.002 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000433878005 559889432 /nfs/dbraw/zinc/88/94/32/559889432.db2.gz OHBPAIYSNISLFX-SFHVURJKSA-N 1 3 365.543 2.101 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000433878005 559889433 /nfs/dbraw/zinc/88/94/33/559889433.db2.gz OHBPAIYSNISLFX-SFHVURJKSA-N 1 3 365.543 2.101 20 0 FEADHO CCOc1cc(CN2CCC(C[NH3+])CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000435399047 559922153 /nfs/dbraw/zinc/92/21/53/559922153.db2.gz UPKZQYPQJDPIEU-OAHLLOKOSA-N 1 3 363.502 2.112 20 0 FEADHO Cc1cc(C)n(-c2ccc(CN3CCCC[C@H]3CNC(=O)CC[NH3+])cc2)n1 ZINC000436062259 559934535 /nfs/dbraw/zinc/93/45/35/559934535.db2.gz JELXDZUYYWRXFU-FQEVSTJZSA-N 1 3 369.513 2.309 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000436228799 559938057 /nfs/dbraw/zinc/93/80/57/559938057.db2.gz BUQXZQLPBCOAJM-YADHBBJMSA-N 1 3 359.558 2.378 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000440181494 560006121 /nfs/dbraw/zinc/00/61/21/560006121.db2.gz VFWLWUBATZCHFK-OALUTQOASA-N 1 3 368.566 2.249 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000440181494 560006122 /nfs/dbraw/zinc/00/61/22/560006122.db2.gz VFWLWUBATZCHFK-OALUTQOASA-N 1 3 368.566 2.249 20 0 FEADHO CC(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000440311138 560008660 /nfs/dbraw/zinc/00/86/60/560008660.db2.gz FCJSAFFROCIYGO-MOPGFXCFSA-N 1 3 353.551 2.406 20 0 FEADHO O=C(NCCNc1cc[nH+]cc1)NCCN1CCC2(CCCCC2)CC1 ZINC000442611284 560053415 /nfs/dbraw/zinc/05/34/15/560053415.db2.gz RSMDMGPFEJYHMX-UHFFFAOYSA-N 1 3 359.518 2.261 20 0 FEADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000443065353 560068940 /nfs/dbraw/zinc/06/89/40/560068940.db2.gz ZQNNZPXODKVTMW-CQSZACIVSA-N 1 3 359.392 2.262 20 0 FEADHO C[C@@H](NC(=O)NCC1(N(C)C)Cc2ccccc2C1)C(C)(C)C[NH+](C)C ZINC000443234744 560075792 /nfs/dbraw/zinc/07/57/92/560075792.db2.gz RDGSSYIJRPLHMF-MRXNPFEDSA-N 1 3 360.546 2.361 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000446263738 560142900 /nfs/dbraw/zinc/14/29/00/560142900.db2.gz YRPVZEUWLZFZME-JQVVWYNYSA-N 1 3 371.525 2.084 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000446263738 560142901 /nfs/dbraw/zinc/14/29/01/560142901.db2.gz YRPVZEUWLZFZME-JQVVWYNYSA-N 1 3 371.525 2.084 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@H](C)C1 ZINC000448521826 560188908 /nfs/dbraw/zinc/18/89/08/560188908.db2.gz QKJSECYUQVDCOQ-YLJYHZDGSA-N 1 3 372.557 2.457 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@H](C)C1 ZINC000448521826 560188911 /nfs/dbraw/zinc/18/89/11/560188911.db2.gz QKJSECYUQVDCOQ-YLJYHZDGSA-N 1 3 372.557 2.457 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@@H](C)C1 ZINC000448521823 560189066 /nfs/dbraw/zinc/18/90/66/560189066.db2.gz QKJSECYUQVDCOQ-FXAWDEMLSA-N 1 3 372.557 2.457 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)[C@@H](C)C1 ZINC000448521823 560189068 /nfs/dbraw/zinc/18/90/68/560189068.db2.gz QKJSECYUQVDCOQ-FXAWDEMLSA-N 1 3 372.557 2.457 20 0 FEADHO CCn1nnc(C)c1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000449086475 560215406 /nfs/dbraw/zinc/21/54/06/560215406.db2.gz BPUOQVMFBAVMDH-UHFFFAOYSA-N 1 3 356.518 2.298 20 0 FEADHO CCNC(=O)N1CC[C@@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449181235 560219321 /nfs/dbraw/zinc/21/93/21/560219321.db2.gz FZGZGAUPBLHLMC-FXAWDEMLSA-N 1 3 358.530 2.475 20 0 FEADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCn2cc(CO)nn2)CC1 ZINC000449329602 560225370 /nfs/dbraw/zinc/22/53/70/560225370.db2.gz OTEBKMCYVQDXTK-UHFFFAOYSA-N 1 3 351.539 2.429 20 0 FEADHO CN(c1ccccc1CN1CC[C@@](O)(C(F)F)C1)C1CC[NH+](C)CC1 ZINC000449467142 560231405 /nfs/dbraw/zinc/23/14/05/560231405.db2.gz IOIARRMILUGADT-IBGZPJMESA-N 1 3 353.457 2.419 20 0 FEADHO CCN1CCN(CC(C)(C)[NH2+]Cc2cn(-c3ccncc3)nc2C)CC1 ZINC000449744175 560238647 /nfs/dbraw/zinc/23/86/47/560238647.db2.gz FHRNGYJTLABMED-UHFFFAOYSA-N 1 3 356.518 2.081 20 0 FEADHO CCC[C@H](O)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000450467585 560263306 /nfs/dbraw/zinc/26/33/06/560263306.db2.gz JFLBLKHLGLANBW-FQEVSTJZSA-N 1 3 361.530 2.108 20 0 FEADHO C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000450965125 560280148 /nfs/dbraw/zinc/28/01/48/560280148.db2.gz USFDCMXYELMDGX-QFBILLFUSA-N 1 3 351.535 2.087 20 0 FEADHO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000450965125 560280149 /nfs/dbraw/zinc/28/01/49/560280149.db2.gz USFDCMXYELMDGX-QFBILLFUSA-N 1 3 351.535 2.087 20 0 FEADHO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000451257260 560296240 /nfs/dbraw/zinc/29/62/40/560296240.db2.gz PYOGPVUARKDDHG-LEWJYISDSA-N 1 3 373.541 2.122 20 0 FEADHO CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000451257260 560296241 /nfs/dbraw/zinc/29/62/41/560296241.db2.gz PYOGPVUARKDDHG-LEWJYISDSA-N 1 3 373.541 2.122 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)C12CCC2 ZINC000451482484 560309673 /nfs/dbraw/zinc/30/96/73/560309673.db2.gz UKPHAOYITABOSG-CEXWTWQISA-N 1 3 359.514 2.343 20 0 FEADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CCN4C[C@H]5CC[C@@H](C4)O5)[C@H]3C2)cc1 ZINC000453360878 560385792 /nfs/dbraw/zinc/38/57/92/560385792.db2.gz VAHSOFDVAJWGDF-BIRZXAFVSA-N 1 3 355.526 2.350 20 0 FEADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCCN4C[C@H]5CC[C@@H](C4)O5)[C@H]3C2)cc1 ZINC000453360878 560385793 /nfs/dbraw/zinc/38/57/93/560385793.db2.gz VAHSOFDVAJWGDF-BIRZXAFVSA-N 1 3 355.526 2.350 20 0 FEADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCCN4C[C@H]5CC[C@@H](C4)O5)[C@H]3C2)cc1 ZINC000453360878 560385794 /nfs/dbraw/zinc/38/57/94/560385794.db2.gz VAHSOFDVAJWGDF-BIRZXAFVSA-N 1 3 355.526 2.350 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000454580584 560450141 /nfs/dbraw/zinc/45/01/41/560450141.db2.gz AGSTXIJKQACUCT-BTHPGYMESA-N 1 3 356.514 2.385 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000454580584 560450142 /nfs/dbraw/zinc/45/01/42/560450142.db2.gz AGSTXIJKQACUCT-BTHPGYMESA-N 1 3 356.514 2.385 20 0 FEADHO CN(C)CCn1nccc1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000455663940 560491112 /nfs/dbraw/zinc/49/11/12/560491112.db2.gz YLFIPWIZOLUKOK-UHFFFAOYSA-N 1 3 350.511 2.030 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455670563 560491304 /nfs/dbraw/zinc/49/13/04/560491304.db2.gz QPAAOTKGVZHROZ-CALCHBBNSA-N 1 3 364.538 2.324 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455670563 560491305 /nfs/dbraw/zinc/49/13/05/560491305.db2.gz QPAAOTKGVZHROZ-CALCHBBNSA-N 1 3 364.538 2.324 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455944592 560501402 /nfs/dbraw/zinc/50/14/02/560501402.db2.gz VPLCKLVAGNFIPX-HKUYNNGSSA-N 1 3 360.502 2.468 20 0 FEADHO CCN1CCN(CCC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000456698355 560529457 /nfs/dbraw/zinc/52/94/57/560529457.db2.gz RISAFTSBGFMFEP-UHFFFAOYSA-N 1 3 366.594 2.373 20 0 FEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000457789250 560587976 /nfs/dbraw/zinc/58/79/76/560587976.db2.gz DGTWNLAAEPFXPY-QGZVFWFLSA-N 1 3 368.591 2.472 20 0 FEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000457789250 560587977 /nfs/dbraw/zinc/58/79/77/560587977.db2.gz DGTWNLAAEPFXPY-QGZVFWFLSA-N 1 3 368.591 2.472 20 0 FEADHO CCOC1(CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)CCCC1 ZINC000458827807 560650804 /nfs/dbraw/zinc/65/08/04/560650804.db2.gz IYGZILVCDVKHFX-GOSISDBHSA-N 1 3 368.566 2.393 20 0 FEADHO CCOC1(CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)CCCC1 ZINC000458827807 560650805 /nfs/dbraw/zinc/65/08/05/560650805.db2.gz IYGZILVCDVKHFX-GOSISDBHSA-N 1 3 368.566 2.393 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CCCN(C)C(C)C)CC2)cc1 ZINC000461796263 560784344 /nfs/dbraw/zinc/78/43/44/560784344.db2.gz MCHGCAGMQOYZQJ-UHFFFAOYSA-N 1 3 367.559 2.468 20 0 FEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000462088579 560796155 /nfs/dbraw/zinc/79/61/55/560796155.db2.gz NYWMQLLAWBNDTA-SFHVURJKSA-N 1 3 351.535 2.402 20 0 FEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000462088579 560796156 /nfs/dbraw/zinc/79/61/56/560796156.db2.gz NYWMQLLAWBNDTA-SFHVURJKSA-N 1 3 351.535 2.402 20 0 FEADHO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000464526974 560844536 /nfs/dbraw/zinc/84/45/36/560844536.db2.gz NJCHLCYWMDAKQA-FQEVSTJZSA-N 1 3 374.529 2.126 20 0 FEADHO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000464526974 560844537 /nfs/dbraw/zinc/84/45/37/560844537.db2.gz NJCHLCYWMDAKQA-FQEVSTJZSA-N 1 3 374.529 2.126 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000465636911 560870159 /nfs/dbraw/zinc/87/01/59/560870159.db2.gz PPUKRMQTLSBKPD-GOSISDBHSA-N 1 3 368.566 2.393 20 0 FEADHO CN(C)C1(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)Cc2ccccc2C1 ZINC000465945841 560876617 /nfs/dbraw/zinc/87/66/17/560876617.db2.gz BKOXAJWWPQCLML-IBGZPJMESA-N 1 3 370.541 2.402 20 0 FEADHO CN(C)C1(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)Cc2ccccc2C1 ZINC000465945841 560876618 /nfs/dbraw/zinc/87/66/18/560876618.db2.gz BKOXAJWWPQCLML-IBGZPJMESA-N 1 3 370.541 2.402 20 0 FEADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000466021067 560878146 /nfs/dbraw/zinc/87/81/46/560878146.db2.gz KAOXCLKCPNLNRO-RTBURBONSA-N 1 3 356.514 2.387 20 0 FEADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000466021067 560878148 /nfs/dbraw/zinc/87/81/48/560878148.db2.gz KAOXCLKCPNLNRO-RTBURBONSA-N 1 3 356.514 2.387 20 0 FEADHO CN1CCC[C@@H](CNC(=O)NCCNc2cc[nH+]cc2)[C@@H]1c1cccs1 ZINC000466076566 560879680 /nfs/dbraw/zinc/87/96/80/560879680.db2.gz JUEJYJMWAKXZGI-MAUKXSAKSA-N 1 3 373.526 2.359 20 0 FEADHO O=S(=O)(NCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000467414967 560909700 /nfs/dbraw/zinc/90/97/00/560909700.db2.gz XKUCBZWQMBNQQK-HUUCEWRRSA-N 1 3 371.934 2.225 20 0 FEADHO O=S(=O)(NCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000467414967 560909701 /nfs/dbraw/zinc/90/97/01/560909701.db2.gz XKUCBZWQMBNQQK-HUUCEWRRSA-N 1 3 371.934 2.225 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)cc2)CC1 ZINC000467715061 560915657 /nfs/dbraw/zinc/91/56/57/560915657.db2.gz LFJWDIIITMFTQK-OXQOHEQNSA-N 1 3 356.514 2.041 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)cc2)CC1 ZINC000467715061 560915658 /nfs/dbraw/zinc/91/56/58/560915658.db2.gz LFJWDIIITMFTQK-OXQOHEQNSA-N 1 3 356.514 2.041 20 0 FEADHO CSc1ccc([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cc1 ZINC000467866846 560919024 /nfs/dbraw/zinc/91/90/24/560919024.db2.gz VKXBZOBJAMLOQS-KRWDZBQOSA-N 1 3 351.560 2.449 20 0 FEADHO Cn1ccnc1COc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1 ZINC000469855023 560966619 /nfs/dbraw/zinc/96/66/19/560966619.db2.gz OHDBBUCHELQTBU-UHFFFAOYSA-N 1 3 358.486 2.329 20 0 FEADHO CC(C)c1nn(-c2ccccc2)cc1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000470023307 560972520 /nfs/dbraw/zinc/97/25/20/560972520.db2.gz ZBIDQKKLTMWORJ-QGZVFWFLSA-N 1 3 369.513 2.283 20 0 FEADHO CC[C@H]1CCCCN1CCNC(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000472987457 561039513 /nfs/dbraw/zinc/03/95/13/561039513.db2.gz YEVMWBBKQBJBNV-RBUKOAKNSA-N 1 3 368.566 2.393 20 0 FEADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000473203423 561044179 /nfs/dbraw/zinc/04/41/79/561044179.db2.gz SOFDRFQSVBMTIV-FQEVSTJZSA-N 1 3 361.530 2.426 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1c2ccccc2nn1C ZINC000475324373 561095043 /nfs/dbraw/zinc/09/50/43/561095043.db2.gz LRFNWGLLAWFGAT-MRXNPFEDSA-N 1 3 357.502 2.061 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1c2ccccc2nn1C ZINC000475324373 561095044 /nfs/dbraw/zinc/09/50/44/561095044.db2.gz LRFNWGLLAWFGAT-MRXNPFEDSA-N 1 3 357.502 2.061 20 0 FEADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000476015230 561109406 /nfs/dbraw/zinc/10/94/06/561109406.db2.gz XXOOURJCSBMWOA-OAHLLOKOSA-N 1 3 374.529 2.489 20 0 FEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2CCOC)C1 ZINC000477159096 561138155 /nfs/dbraw/zinc/13/81/55/561138155.db2.gz IZROXCJFFHUIBY-ROUUACIJSA-N 1 3 368.566 2.297 20 0 FEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2CCOC)C1 ZINC000477159096 561138156 /nfs/dbraw/zinc/13/81/56/561138156.db2.gz IZROXCJFFHUIBY-ROUUACIJSA-N 1 3 368.566 2.297 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529298442 562368015 /nfs/dbraw/zinc/36/80/15/562368015.db2.gz HJUSNKAGIPHWAS-MOPGFXCFSA-N 1 3 356.514 2.482 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529298445 562368034 /nfs/dbraw/zinc/36/80/34/562368034.db2.gz HJUSNKAGIPHWAS-RTBURBONSA-N 1 3 356.514 2.482 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529312927 562368687 /nfs/dbraw/zinc/36/86/87/562368687.db2.gz JLPYYBVQMWGYGO-BHIYHBOVSA-N 1 3 356.514 2.481 20 0 FEADHO Cn1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(-c2ccncc2)n1 ZINC000530248507 562404207 /nfs/dbraw/zinc/40/42/07/562404207.db2.gz LIQKKWOBRKAQHU-IBGZPJMESA-N 1 3 355.486 2.073 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000530273014 562404813 /nfs/dbraw/zinc/40/48/13/562404813.db2.gz JVQRVAQBVRXMQV-RBUKOAKNSA-N 1 3 351.535 2.303 20 0 FEADHO O=C(NCCCCC[NH+]1CCCCC1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000530818701 562424928 /nfs/dbraw/zinc/42/49/28/562424928.db2.gz BZXJJAWAMORKRP-QFIPXVFZSA-N 1 3 373.541 2.396 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](CCCN3CCCC3=O)CC2)C[C@@H](C)O1 ZINC000530939695 562429344 /nfs/dbraw/zinc/42/93/44/562429344.db2.gz VGFMPSIDMXDTLJ-QZTJIDSGSA-N 1 3 351.535 2.210 20 0 FEADHO CC[NH+](CC)CC1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000531052203 562433234 /nfs/dbraw/zinc/43/32/34/562433234.db2.gz GZZQIPMBFWJTQB-QFIPXVFZSA-N 1 3 373.541 2.204 20 0 FEADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000531287556 562440743 /nfs/dbraw/zinc/44/07/43/562440743.db2.gz DZFFKPCOCFLXNA-QFIPXVFZSA-N 1 3 373.541 2.202 20 0 FEADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000531287556 562440744 /nfs/dbraw/zinc/44/07/44/562440744.db2.gz DZFFKPCOCFLXNA-QFIPXVFZSA-N 1 3 373.541 2.202 20 0 FEADHO Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n(C2CCN(C)CC2)n1 ZINC000531713463 562454612 /nfs/dbraw/zinc/45/46/12/562454612.db2.gz LLPVMBIXGHMKTR-FUHWJXTLSA-N 1 3 374.533 2.406 20 0 FEADHO Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n(C2CCN(C)CC2)n1 ZINC000531713463 562454613 /nfs/dbraw/zinc/45/46/13/562454613.db2.gz LLPVMBIXGHMKTR-FUHWJXTLSA-N 1 3 374.533 2.406 20 0 FEADHO C[C@@H](CC(=O)N(C)C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000532211013 562470681 /nfs/dbraw/zinc/47/06/81/562470681.db2.gz YIIJOLBXVHZJOF-IBGZPJMESA-N 1 3 360.546 2.041 20 0 FEADHO CC(C)N(C)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000535851483 562569679 /nfs/dbraw/zinc/56/96/79/562569679.db2.gz CAUMCSMPEKWURS-MOPGFXCFSA-N 1 3 352.567 2.122 20 0 FEADHO CC(C)N(C)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000535851483 562569680 /nfs/dbraw/zinc/56/96/80/562569680.db2.gz CAUMCSMPEKWURS-MOPGFXCFSA-N 1 3 352.567 2.122 20 0 FEADHO CN(CCC(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1ccncc1 ZINC000540927441 562597210 /nfs/dbraw/zinc/59/72/10/562597210.db2.gz SBPHHKJSBMTKTE-UHFFFAOYSA-N 1 3 360.502 2.059 20 0 FEADHO C[C@H]([NH2+]CC(=O)NCC(=O)c1cccs1)[C@@H]1CCCN(C2CCC2)C1 ZINC000541600225 562616116 /nfs/dbraw/zinc/61/61/16/562616116.db2.gz YMSBCHZGFQFVQX-LSDHHAIUSA-N 1 3 363.527 2.290 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000669111226 567911083 /nfs/dbraw/zinc/91/10/83/567911083.db2.gz KPYJQBCTTAMTDW-FXAWDEMLSA-N 1 3 356.514 2.353 20 0 FEADHO COC(=O)c1cc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)[nH]c1C ZINC000602502675 567984095 /nfs/dbraw/zinc/98/40/95/567984095.db2.gz YVDHLGBXSKIEOF-UHFFFAOYSA-N 1 3 371.481 2.356 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000604169761 568220941 /nfs/dbraw/zinc/22/09/41/568220941.db2.gz NYPLPHRCMNKVEU-GOSISDBHSA-N 1 3 374.529 2.443 20 0 FEADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000604184217 568222401 /nfs/dbraw/zinc/22/24/01/568222401.db2.gz JIEOXSAZJAYYBD-RTBURBONSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000604184217 568222402 /nfs/dbraw/zinc/22/24/02/568222402.db2.gz JIEOXSAZJAYYBD-RTBURBONSA-N 1 3 356.514 2.435 20 0 FEADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000562959497 674827269 /nfs/dbraw/zinc/82/72/69/674827269.db2.gz VMNKYMWJOIBCAY-QFBILLFUSA-N 1 3 365.543 2.219 20 0 FEADHO COc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc2c1OCO2 ZINC000067453099 670458182 /nfs/dbraw/zinc/45/81/82/670458182.db2.gz DEKNGJSHFULLHH-HUUCEWRRSA-N 1 3 350.459 2.403 20 0 FEADHO C[C@H](C(=O)Nc1ccc(F)c(F)c1)N(C)CCCN(C)CC[NH+](C)C ZINC000565563788 675132736 /nfs/dbraw/zinc/13/27/36/675132736.db2.gz VTQUEYNHIHVIMK-CQSZACIVSA-N 1 3 356.461 2.107 20 0 FEADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000571533605 670888724 /nfs/dbraw/zinc/88/87/24/670888724.db2.gz SKHRDTTXLOKFNH-HALDLXJZSA-N 1 3 364.877 2.152 20 0 FEADHO Cc1cc(NC(=O)CCNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)no1 ZINC000578997997 671704887 /nfs/dbraw/zinc/70/48/87/671704887.db2.gz MZBZUCHCGDKMIT-RDTXWAMCSA-N 1 3 362.499 3.046 20 0 FEADHO Cc1cc(NC(=O)CCNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)no1 ZINC000578997997 671704889 /nfs/dbraw/zinc/70/48/89/671704889.db2.gz MZBZUCHCGDKMIT-RDTXWAMCSA-N 1 3 362.499 3.046 20 0 FEADHO Clc1cc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000581878613 671944845 /nfs/dbraw/zinc/94/48/45/671944845.db2.gz SMSGNZFLZZMNAW-HYVNUMGLSA-N 1 3 366.889 2.400 20 0 FEADHO C[NH+](C)CCCOc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1 ZINC000683615551 672858551 /nfs/dbraw/zinc/85/85/51/672858551.db2.gz UWGSFWYXLXPHII-CYBMUJFWSA-N 1 3 359.348 2.394 20 0 FEADHO COC(=O)CC[C@@H](N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000593918118 673008066 /nfs/dbraw/zinc/00/80/66/673008066.db2.gz SLYGDFIUYOUUAP-MRXNPFEDSA-N 1 3 365.499 2.094 20 0 FEADHO CN(C)[C@H](CNC(=S)NCC(C)(C)C[NH+](C)C)Cc1ccccc1 ZINC000727066119 673152461 /nfs/dbraw/zinc/15/24/61/673152461.db2.gz FRPCLPFFKPONAO-KRWDZBQOSA-N 1 3 350.576 2.211 20 0 FEADHO COCCC[NH+]1CCC(NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000727470191 673170931 /nfs/dbraw/zinc/17/09/31/673170931.db2.gz HOQHYZNAHXYBCK-KRWDZBQOSA-N 1 3 355.523 2.476 20 0 FEADHO CN1CCC(NC(=S)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000728453867 673201777 /nfs/dbraw/zinc/20/17/77/673201777.db2.gz QDMHVSGMSRKBKI-GOSISDBHSA-N 1 3 360.571 2.109 20 0 FEADHO CN1CCC(NC(=S)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000728453867 673201778 /nfs/dbraw/zinc/20/17/78/673201778.db2.gz QDMHVSGMSRKBKI-GOSISDBHSA-N 1 3 360.571 2.109 20 0 FEADHO CSCC[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000595946126 673342671 /nfs/dbraw/zinc/34/26/71/673342671.db2.gz IZDFQQUPBTYPSD-ROUUACIJSA-N 1 3 361.555 2.485 20 0 FEADHO CSCC[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595946126 673342674 /nfs/dbraw/zinc/34/26/74/673342674.db2.gz IZDFQQUPBTYPSD-ROUUACIJSA-N 1 3 361.555 2.485 20 0 FEADHO CC[N@H+](C)CCN[C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000544364573 673708050 /nfs/dbraw/zinc/70/80/50/673708050.db2.gz BEPVUXMYISKWGZ-GOSISDBHSA-N 1 3 366.937 2.120 20 0 FEADHO CC[N@@H+](C)CCN[C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000544364573 673708053 /nfs/dbraw/zinc/70/80/53/673708053.db2.gz BEPVUXMYISKWGZ-GOSISDBHSA-N 1 3 366.937 2.120 20 0 FEADHO CC[N@H+](C)CCN[C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000544364577 673708127 /nfs/dbraw/zinc/70/81/27/673708127.db2.gz BEPVUXMYISKWGZ-SFHVURJKSA-N 1 3 366.937 2.120 20 0 FEADHO CC[N@@H+](C)CCN[C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000544364577 673708128 /nfs/dbraw/zinc/70/81/28/673708128.db2.gz BEPVUXMYISKWGZ-SFHVURJKSA-N 1 3 366.937 2.120 20 0 FEADHO COc1cc2c(cc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)OCO2 ZINC000545353626 673762435 /nfs/dbraw/zinc/76/24/35/673762435.db2.gz QJLFWUKGTCCBMD-GASCZTMLSA-N 1 3 350.459 2.403 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(CC)CCOCC3)CC2)CC1 ZINC000566445987 675214591 /nfs/dbraw/zinc/21/45/91/675214591.db2.gz DBPJJTXUTLNLLO-UHFFFAOYSA-N 1 3 351.535 2.258 20 0 FEADHO C[N@H+](C[C@H](O)CNCC1(NC(=O)OC(C)(C)C)CCCCC1)C1CC1 ZINC000818992600 675250889 /nfs/dbraw/zinc/25/08/89/675250889.db2.gz RGANHQXTDOQAHH-MRXNPFEDSA-N 1 3 355.523 2.259 20 0 FEADHO C[N@@H+](C[C@H](O)CNCC1(NC(=O)OC(C)(C)C)CCCCC1)C1CC1 ZINC000818992600 675250891 /nfs/dbraw/zinc/25/08/91/675250891.db2.gz RGANHQXTDOQAHH-MRXNPFEDSA-N 1 3 355.523 2.259 20 0 FEADHO CN(C[C@H](O)C[NH2+]C1CCN(C2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000819135421 675263939 /nfs/dbraw/zinc/26/39/39/675263939.db2.gz WNXZRWIENPOTHK-QGZVFWFLSA-N 1 3 355.523 2.211 20 0 FEADHO O[C@H](C[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1Cl ZINC000819174106 675266477 /nfs/dbraw/zinc/26/64/77/675266477.db2.gz OJOGVAZJDQGNQF-OKZBNKHCSA-N 1 3 356.869 2.480 20 0 FEADHO CN1CCN(CC[NH2+]C[C@@H](O)c2cccc(Br)c2)CC1(C)C ZINC000819288392 675277672 /nfs/dbraw/zinc/27/76/72/675277672.db2.gz YWRLVJPUIQKGCL-MRXNPFEDSA-N 1 3 370.335 2.098 20 0 FEADHO CCC[C@@]1(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCOC1 ZINC000568778579 675399803 /nfs/dbraw/zinc/39/98/03/675399803.db2.gz SJLJUQWGCNJNAW-HXUWFJFHSA-N 1 3 351.535 2.258 20 0 FEADHO CN(C[C@@H](O)CN1CCC(C[NH+]2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000822582767 675493096 /nfs/dbraw/zinc/49/30/96/675493096.db2.gz HOIWNSPPSJYMPI-QGZVFWFLSA-N 1 3 355.523 2.022 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]4CSC[C@H]4C3)CC2)CC1 ZINC000827118428 675730943 /nfs/dbraw/zinc/73/09/43/675730943.db2.gz CHAXQDUVEJWUGX-QZTJIDSGSA-N 1 3 365.587 2.394 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000605404399 675812692 /nfs/dbraw/zinc/81/26/92/675812692.db2.gz HKZUJQZZQYNKBG-MSOLQXFVSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000605404399 675812694 /nfs/dbraw/zinc/81/26/94/675812694.db2.gz HKZUJQZZQYNKBG-MSOLQXFVSA-N 1 3 351.535 2.258 20 0 FEADHO CO[C@](C)(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1F ZINC000617506951 676289420 /nfs/dbraw/zinc/28/94/20/676289420.db2.gz DCBOGYXSTQTGIX-KXBFYZLASA-N 1 3 353.482 2.076 20 0 FEADHO CO[C@](C)(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1F ZINC000617506951 676289421 /nfs/dbraw/zinc/28/94/21/676289421.db2.gz DCBOGYXSTQTGIX-KXBFYZLASA-N 1 3 353.482 2.076 20 0 FEADHO C[C@H](C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C)N1CCCCCC1 ZINC000622755406 676504945 /nfs/dbraw/zinc/50/49/45/676504945.db2.gz YSGZEBVOUKKEQB-MSOLQXFVSA-N 1 3 351.535 2.353 20 0 FEADHO Cc1cc(CNCCCC[N@@H+]2CCC[C@H]2CO)ncc1Br ZINC000623412741 676533822 /nfs/dbraw/zinc/53/38/22/676533822.db2.gz ZFCLCDXQESBVLI-HNNXBMFYSA-N 1 3 356.308 2.479 20 0 FEADHO Cc1cc(CNCCCC[N@H+]2CCC[C@H]2CO)ncc1Br ZINC000623412741 676533824 /nfs/dbraw/zinc/53/38/24/676533824.db2.gz ZFCLCDXQESBVLI-HNNXBMFYSA-N 1 3 356.308 2.479 20 0 FEADHO CN1CC[C@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC1(C)C ZINC000623493906 676537796 /nfs/dbraw/zinc/53/77/96/676537796.db2.gz WPHNYSKSFJOAHA-INIZCTEOSA-N 1 3 351.516 2.189 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)N(C)C)cc1 ZINC000627045641 676736603 /nfs/dbraw/zinc/73/66/03/676736603.db2.gz PXJQDLFEGPIXKT-LXZKKBNFSA-N 1 3 350.532 2.451 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](n2cncn2)C(F)(F)F)[C@H](C)C1 ZINC000631688801 676951875 /nfs/dbraw/zinc/95/18/75/676951875.db2.gz WIBWBQRNVWFSQI-QLFBSQMISA-N 1 3 363.428 2.108 20 0 FEADHO C[C@@H]1C[C@H](N(C)S(=O)(=O)CCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000631996447 676969589 /nfs/dbraw/zinc/96/95/89/676969589.db2.gz CMAZWCXWLWOJLM-IEBWSBKVSA-N 1 3 367.559 2.253 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000638727215 677149403 /nfs/dbraw/zinc/14/94/03/677149403.db2.gz GGEGPYXKSVCWHV-SFHVURJKSA-N 1 3 351.535 2.388 20 0 FEADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000638765693 677149845 /nfs/dbraw/zinc/14/98/45/677149845.db2.gz KZCGHCWLXRHLHN-OAHLLOKOSA-N 1 3 353.457 2.368 20 0 FEADHO CN(CCCO)C1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000647964036 677309532 /nfs/dbraw/zinc/30/95/32/677309532.db2.gz OAFCRDSDKQZKEJ-QGZVFWFLSA-N 1 3 353.551 2.050 20 0 FEADHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649338612 677329661 /nfs/dbraw/zinc/32/96/61/677329661.db2.gz SILXERDMOMACCA-XWIAVFTESA-N 1 3 363.889 2.050 20 0 FEADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652154101 677473291 /nfs/dbraw/zinc/47/32/91/677473291.db2.gz WHUCCOMHNFQPNH-HNNXBMFYSA-N 1 3 352.475 2.210 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655912859 677672166 /nfs/dbraw/zinc/67/21/66/677672166.db2.gz RMYKVKAYFRDRQF-HNNXBMFYSA-N 1 3 358.408 2.102 20 0 FEADHO CNC(=O)[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)Cc1ccc(C(F)(F)F)cc1 ZINC000656200242 677727923 /nfs/dbraw/zinc/72/79/23/677727923.db2.gz JODIHBWZZIRJPF-BPUTZDHNSA-N 1 3 357.420 2.470 20 0 FEADHO Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n(C(C)(C)C)n1 ZINC000656541112 677772809 /nfs/dbraw/zinc/77/28/09/677772809.db2.gz XCQHLKOVUHUAJV-HNNXBMFYSA-N 1 3 352.527 2.340 20 0 FEADHO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n(C(C)(C)C)n1 ZINC000656541112 677772813 /nfs/dbraw/zinc/77/28/13/677772813.db2.gz XCQHLKOVUHUAJV-HNNXBMFYSA-N 1 3 352.527 2.340 20 0 FEADHO CCS(=O)(=O)C1(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000658300675 678070855 /nfs/dbraw/zinc/07/08/55/678070855.db2.gz VILUUCYTNCMZEP-HNNXBMFYSA-N 1 3 354.516 2.245 20 0 FEADHO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccc(CCN2CCSCC2)cc1 ZINC000658989901 678143066 /nfs/dbraw/zinc/14/30/66/678143066.db2.gz GLAMCWAZYMEKQA-UHFFFAOYSA-N 1 3 360.527 2.151 20 0 FEADHO C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](F)[C@H](N)C2)[C@H]1c1cccs1 ZINC000659458239 678179837 /nfs/dbraw/zinc/17/98/37/678179837.db2.gz CTYJTMNPBIAHRF-NHIYQJMISA-N 1 3 354.495 2.212 20 0 FEADHO C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](F)[C@H](N)C2)[C@H]1c1cccs1 ZINC000659458239 678179842 /nfs/dbraw/zinc/17/98/42/678179842.db2.gz CTYJTMNPBIAHRF-NHIYQJMISA-N 1 3 354.495 2.212 20 0 FEADHO O=S(=O)(Nc1ccccc1)[C@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000662311851 678602859 /nfs/dbraw/zinc/60/28/59/678602859.db2.gz WNXCDEAEVRSTKR-AEFFLSMTSA-N 1 3 351.516 2.282 20 0 FEADHO C[NH+](C)CCC[C@@H]1CN(CC2CCN(C(=O)C(C)(C)C)CC2)CCO1 ZINC000662326017 678605839 /nfs/dbraw/zinc/60/58/39/678605839.db2.gz SZJAFAUOLHGAOM-GOSISDBHSA-N 1 3 353.551 2.314 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662685810 678651034 /nfs/dbraw/zinc/65/10/34/678651034.db2.gz YCZMDOTXZMLFLU-HNNXBMFYSA-N 1 3 365.465 2.006 20 0 FEADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1nc(C)cs1 ZINC000664008369 678820699 /nfs/dbraw/zinc/82/06/99/678820699.db2.gz GYXGESGWZRNTFO-DZGCQCFKSA-N 1 3 355.552 2.474 20 0 FEADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1nc(C)cs1 ZINC000664008369 678820704 /nfs/dbraw/zinc/82/07/04/678820704.db2.gz GYXGESGWZRNTFO-DZGCQCFKSA-N 1 3 355.552 2.474 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@]2(CCSC2)C1 ZINC000665763725 678982710 /nfs/dbraw/zinc/98/27/10/678982710.db2.gz KGVLJTFOTMIYPQ-WMZOPIPTSA-N 1 3 356.580 2.187 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@]2(CCSC2)C1 ZINC000665763725 678982712 /nfs/dbraw/zinc/98/27/12/678982712.db2.gz KGVLJTFOTMIYPQ-WMZOPIPTSA-N 1 3 356.580 2.187 20 0 FEADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000671771976 679345530 /nfs/dbraw/zinc/34/55/30/679345530.db2.gz IBTOKBVOXJEEBM-ZOBORPQBSA-N 1 3 351.520 2.280 20 0 FEADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000671771976 679345532 /nfs/dbraw/zinc/34/55/32/679345532.db2.gz IBTOKBVOXJEEBM-ZOBORPQBSA-N 1 3 351.520 2.280 20 0 FEADHO CC(C)n1ncc2cc(CNCCCN3CC[NH2+]CC3)c(Cl)nc21 ZINC000841030035 680860460 /nfs/dbraw/zinc/86/04/60/680860460.db2.gz QOSAZTXWEHALNG-UHFFFAOYSA-N 1 3 350.898 2.051 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@]3(C)CCCCO3)CC2)CC1 ZINC000832463694 680137254 /nfs/dbraw/zinc/13/72/54/680137254.db2.gz GGKKFGBUQIMIFK-FQEVSTJZSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ccc(Cl)nc2)CC[N@@H+]1C ZINC001034939525 680440777 /nfs/dbraw/zinc/44/07/77/680440777.db2.gz FCIUJDCAMJKBAT-FVQBIDKESA-N 1 3 350.894 2.156 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ccc(Cl)nc2)CC[N@H+]1C ZINC001034939525 680440781 /nfs/dbraw/zinc/44/07/81/680440781.db2.gz FCIUJDCAMJKBAT-FVQBIDKESA-N 1 3 350.894 2.156 20 0 FEADHO CCCCCCN(C)CC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000769316313 680977737 /nfs/dbraw/zinc/97/77/37/680977737.db2.gz ONXHUKFISSSBNF-RBUKOAKNSA-N 1 3 353.551 2.383 20 0 FEADHO CC(C)(C)OC(=O)NC[C@@H](NC[C@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000769919927 681000465 /nfs/dbraw/zinc/00/04/65/681000465.db2.gz FALZZYKVVSKSTP-DLBZAZTESA-N 1 3 355.523 2.116 20 0 FEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932711012 681293929 /nfs/dbraw/zinc/29/39/29/681293929.db2.gz OTNIXWHEUBKJCO-ZACQAIPSSA-N 1 3 357.539 2.170 20 0 FEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932711012 681293934 /nfs/dbraw/zinc/29/39/34/681293934.db2.gz OTNIXWHEUBKJCO-ZACQAIPSSA-N 1 3 357.539 2.170 20 0 FEADHO COc1ccc(C[C@@](C)(CO)NCCC[NH+]2CCCCC2)cc1OC ZINC000933444934 681413702 /nfs/dbraw/zinc/41/37/02/681413702.db2.gz LEWVGBYIHFXMKK-FQEVSTJZSA-N 1 3 350.503 2.463 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000849072779 681649895 /nfs/dbraw/zinc/64/98/95/681649895.db2.gz GJBROEZJQXRALV-GOEBONIOSA-N 1 3 358.408 2.035 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cnc(Cl)s3)CC2)CC1 ZINC000915500909 685515718 /nfs/dbraw/zinc/51/57/18/685515718.db2.gz UINMZIVERQZGOI-UHFFFAOYSA-N 1 3 371.938 2.154 20 0 FEADHO C[C@H](NCCn1cnc(Br)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000851926106 682186422 /nfs/dbraw/zinc/18/64/22/682186422.db2.gz JCAWLOAWQZTHRE-STQMWFEESA-N 1 3 356.312 2.283 20 0 FEADHO C[C@H](NCCn1cnc(Br)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000851926106 682186424 /nfs/dbraw/zinc/18/64/24/682186424.db2.gz JCAWLOAWQZTHRE-STQMWFEESA-N 1 3 356.312 2.283 20 0 FEADHO C[C@H]([NH2+]CCn1cnc(Br)n1)[C@H]1CCCN(C2CCC2)C1 ZINC000851926106 682186426 /nfs/dbraw/zinc/18/64/26/682186426.db2.gz JCAWLOAWQZTHRE-STQMWFEESA-N 1 3 356.312 2.283 20 0 FEADHO C[C@H]1CN(CCCC[NH2+]Cc2cc(Br)nn2C)C[C@H](C)O1 ZINC000785438248 682297685 /nfs/dbraw/zinc/29/76/85/682297685.db2.gz WJJPGAZSPTWKHI-STQMWFEESA-N 1 3 359.312 2.162 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000854041383 682506961 /nfs/dbraw/zinc/50/69/61/682506961.db2.gz MSZQNYRFILPJOD-KSSFIOAISA-N 1 3 366.937 2.378 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000854041383 682506964 /nfs/dbraw/zinc/50/69/64/682506964.db2.gz MSZQNYRFILPJOD-KSSFIOAISA-N 1 3 366.937 2.378 20 0 FEADHO Cc1nc(NC2CC2)sc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000857304741 682875018 /nfs/dbraw/zinc/87/50/18/682875018.db2.gz PYAAODXHLLLARZ-LBPRGKRZSA-N 1 3 353.536 2.028 20 0 FEADHO Cc1nc(NC2CC2)sc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000857304741 682875022 /nfs/dbraw/zinc/87/50/22/682875022.db2.gz PYAAODXHLLLARZ-LBPRGKRZSA-N 1 3 353.536 2.028 20 0 FEADHO COc1ncc([C@@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Cl ZINC000925852963 683043875 /nfs/dbraw/zinc/04/38/75/683043875.db2.gz WPRFRJDSDNSYQH-YPMHNXCESA-N 1 3 353.850 2.080 20 0 FEADHO CN(CCCO)C1CC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000859143016 683045195 /nfs/dbraw/zinc/04/51/95/683045195.db2.gz NZTXUSUBEDGQBW-UHFFFAOYSA-N 1 3 355.523 2.022 20 0 FEADHO COc1ccc(CN(C)C)cc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000925937409 683054007 /nfs/dbraw/zinc/05/40/07/683054007.db2.gz GTBDUOBCPQEEDM-VXGBXAGGSA-N 1 3 360.380 2.110 20 0 FEADHO CCN1CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000796693867 683186678 /nfs/dbraw/zinc/18/66/78/683186678.db2.gz HWYVKOYJGRBKHQ-VVLHAWIVSA-N 1 3 355.523 2.236 20 0 FEADHO CCN1CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000796693868 683186786 /nfs/dbraw/zinc/18/67/86/683186786.db2.gz HWYVKOYJGRBKHQ-WCXIOVBPSA-N 1 3 355.523 2.236 20 0 FEADHO CN1CCN(CC[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1(C)C ZINC000799727191 683488486 /nfs/dbraw/zinc/48/84/86/683488486.db2.gz YZPDFOBKAPSENJ-HOTGVXAUSA-N 1 3 354.539 2.048 20 0 FEADHO CC(C)(C)OC(=O)N1[C@H](C[NH2+]C[C@@H]2CCN(C3CC3)C2)COC1(C)C ZINC000862268229 683561877 /nfs/dbraw/zinc/56/18/77/683561877.db2.gz AQLMHQCWEQMTJF-GOEBONIOSA-N 1 3 353.507 2.432 20 0 FEADHO CC(C)(C)OC(=O)N1[C@H](CNC[C@@H]2CC[N@@H+](C3CC3)C2)COC1(C)C ZINC000862268229 683561880 /nfs/dbraw/zinc/56/18/80/683561880.db2.gz AQLMHQCWEQMTJF-GOEBONIOSA-N 1 3 353.507 2.432 20 0 FEADHO CC(C)(C)OC(=O)N1[C@H](CNC[C@@H]2CC[N@H+](C3CC3)C2)COC1(C)C ZINC000862268229 683561884 /nfs/dbraw/zinc/56/18/84/683561884.db2.gz AQLMHQCWEQMTJF-GOEBONIOSA-N 1 3 353.507 2.432 20 0 FEADHO CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000863556071 683741956 /nfs/dbraw/zinc/74/19/56/683741956.db2.gz AAIYUGUZSZUDOU-SJORKVTESA-N 1 3 355.523 2.212 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=S)NC1CCN(C)CC1 ZINC000865243917 683955215 /nfs/dbraw/zinc/95/52/15/683955215.db2.gz WCVBPIQJLFXRGD-AEFFLSMTSA-N 1 3 360.571 2.313 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=S)NC1CCN(C)CC1 ZINC000865243917 683955219 /nfs/dbraw/zinc/95/52/19/683955219.db2.gz WCVBPIQJLFXRGD-AEFFLSMTSA-N 1 3 360.571 2.313 20 0 FEADHO Cn1nc(C(F)(F)F)c(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1Cl ZINC000923451238 684283541 /nfs/dbraw/zinc/28/35/41/684283541.db2.gz MKYOVPFUOCXLSQ-SNVBAGLBSA-N 1 3 366.815 2.422 20 0 FEADHO O=C(NCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1c(F)cccc1F ZINC000925598156 684572361 /nfs/dbraw/zinc/57/23/61/684572361.db2.gz UMCYCOAJPTVUQX-YOEHRIQHSA-N 1 3 351.441 2.453 20 0 FEADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000925639894 684575747 /nfs/dbraw/zinc/57/57/47/684575747.db2.gz OEDKPRSLBBAXNY-HZPDHXFCSA-N 1 3 351.516 2.222 20 0 FEADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NCC3(N4CCSCC4)CCCC3)CC[C@H]21 ZINC000875099976 685730717 /nfs/dbraw/zinc/73/07/17/685730717.db2.gz CYUXGHNMSYYADG-IAGOWNOFSA-N 1 3 366.575 2.084 20 0 FEADHO C[N@H+]1CC[C@@H]2CN(C(=O)NCC3(N4CCSCC4)CCCC3)CC[C@H]21 ZINC000875099976 685730722 /nfs/dbraw/zinc/73/07/22/685730722.db2.gz CYUXGHNMSYYADG-IAGOWNOFSA-N 1 3 366.575 2.084 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876876746 686286269 /nfs/dbraw/zinc/28/62/69/686286269.db2.gz UIZHUNTWXUFUMF-MJGOQNOKSA-N 1 3 351.441 2.387 20 0 FEADHO COCC[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)NC(=O)OC(C)(C)C ZINC000877516483 686398995 /nfs/dbraw/zinc/39/89/95/686398995.db2.gz APRMXQVZLPUDBD-PMRDEQMMSA-N 1 3 355.523 2.473 20 0 FEADHO COCC[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)NC(=O)OC(C)(C)C ZINC000877516483 686399003 /nfs/dbraw/zinc/39/90/03/686399003.db2.gz APRMXQVZLPUDBD-PMRDEQMMSA-N 1 3 355.523 2.473 20 0 FEADHO C[NH+](C)C[C@]1(O)CCCN(CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000878866992 686677977 /nfs/dbraw/zinc/67/79/77/686677977.db2.gz ZEGPAHVBQLLKAV-QFBILLFUSA-N 1 3 355.523 2.022 20 0 FEADHO COCC[C@@H](N)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000884310570 687844222 /nfs/dbraw/zinc/84/42/22/687844222.db2.gz AXZWMNQCFWJAGB-QGZVFWFLSA-N 1 3 353.894 2.128 20 0 FEADHO Nc1ccnc(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000891460147 689064365 /nfs/dbraw/zinc/06/43/65/689064365.db2.gz OAWBXSUODYDBCS-UHFFFAOYSA-N 1 3 359.499 2.437 20 0 FEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(NC2CC2)s1 ZINC000900481541 690522116 /nfs/dbraw/zinc/52/21/16/690522116.db2.gz RWRATTOXQTVINT-HNNXBMFYSA-N 1 3 365.547 2.206 20 0 FEADHO C[N@H+](CCOc1cc(F)cc(Br)c1)C1(CN)CCOCC1 ZINC000903808595 690974205 /nfs/dbraw/zinc/97/42/05/690974205.db2.gz OLSUGRKMZIBXLL-UHFFFAOYSA-N 1 3 361.255 2.407 20 0 FEADHO C[N@@H+](CCOc1cc(F)cc(Br)c1)C1(CN)CCOCC1 ZINC000903808595 690974208 /nfs/dbraw/zinc/97/42/08/690974208.db2.gz OLSUGRKMZIBXLL-UHFFFAOYSA-N 1 3 361.255 2.407 20 0 FEADHO CC(C)(C)CC(=O)N1CCC(N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903973575 690990784 /nfs/dbraw/zinc/99/07/84/690990784.db2.gz PIBYZCLOVHFVMU-QGZVFWFLSA-N 1 3 351.535 2.162 20 0 FEADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cc(Cl)cc2c1OCC2 ZINC000904444638 691028927 /nfs/dbraw/zinc/02/89/27/691028927.db2.gz RHEGOJMITNJTKJ-CHWSQXEVSA-N 1 3 351.878 2.123 20 0 FEADHO O[C@@]1(CNCCOC2CCSCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905707267 691166427 /nfs/dbraw/zinc/16/64/27/691166427.db2.gz XOFIISCCPPDQRE-LJQANCHMSA-N 1 3 350.528 2.125 20 0 FEADHO O[C@@]1(CNCCOC2CCSCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905707267 691166430 /nfs/dbraw/zinc/16/64/30/691166430.db2.gz XOFIISCCPPDQRE-LJQANCHMSA-N 1 3 350.528 2.125 20 0 FEADHO CC(C)N(C)Cc1nn(-c2nc3nc[nH]c3cc2Cl)c2c1CC[NH2+]C2 ZINC001164681644 719627465 /nfs/dbraw/zinc/62/74/65/719627465.db2.gz KDCMFAZEFOWOIO-UHFFFAOYSA-N 1 3 359.865 2.283 20 0 FEADHO CN(C)Cc1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164871540 721168257 /nfs/dbraw/zinc/16/82/57/721168257.db2.gz FGKCEAITIYOMNX-UXHICEINSA-N 1 3 367.497 2.018 20 0 FEADHO CN(C)Cc1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164871540 721168260 /nfs/dbraw/zinc/16/82/60/721168260.db2.gz FGKCEAITIYOMNX-UXHICEINSA-N 1 3 367.497 2.018 20 0 FEADHO Cc1cc(NC(=O)C2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)no1 ZINC000516932458 539332308 /nfs/dbraw/zinc/33/23/08/539332308.db2.gz OYBJTUGZRZRAHU-UHFFFAOYSA-N 1 3 354.454 2.479 20 0 FEADHO C[C@@H](CC[NH+](C)C)NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000068592742 541612481 /nfs/dbraw/zinc/61/24/81/541612481.db2.gz MHTPNRZXKJBLHO-AWEZNQCLSA-N 1 3 356.461 2.378 20 0 FEADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000074316003 542068146 /nfs/dbraw/zinc/06/81/46/542068146.db2.gz RUDLUTQCVHTJBT-IBGZPJMESA-N 1 3 363.546 2.212 20 0 FEADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000074316003 542068148 /nfs/dbraw/zinc/06/81/48/542068148.db2.gz RUDLUTQCVHTJBT-IBGZPJMESA-N 1 3 363.546 2.212 20 0 FEADHO CN1CCC(O)(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000077450480 542382959 /nfs/dbraw/zinc/38/29/59/542382959.db2.gz DBWWASVQAIXKFU-UHFFFAOYSA-N 1 3 367.287 2.271 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000079221331 542507060 /nfs/dbraw/zinc/50/70/60/542507060.db2.gz CLEZSJANXMADGS-UXHICEINSA-N 1 3 358.530 2.429 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000084432450 542714948 /nfs/dbraw/zinc/71/49/48/542714948.db2.gz LMZIAVYJEVJXOQ-IAGOWNOFSA-N 1 3 350.532 2.448 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000084432450 542714951 /nfs/dbraw/zinc/71/49/51/542714951.db2.gz LMZIAVYJEVJXOQ-IAGOWNOFSA-N 1 3 350.532 2.448 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2)CC1 ZINC000101522399 543028382 /nfs/dbraw/zinc/02/83/82/543028382.db2.gz GXALQEXGDDSONH-UHFFFAOYSA-N 1 3 358.530 2.289 20 0 FEADHO C[C@@H](C(=O)NC1CCN(CCc2ccncc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101673856 543040654 /nfs/dbraw/zinc/04/06/54/543040654.db2.gz VUNWZOQUVXAHOE-KURKYZTESA-N 1 3 358.530 2.466 20 0 FEADHO COC(=O)Nc1cccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000103077374 543091173 /nfs/dbraw/zinc/09/11/73/543091173.db2.gz YRPXPLRKTPITLK-UHFFFAOYSA-N 1 3 374.485 2.153 20 0 FEADHO Cc1cc(C)n(Cc2cccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2)n1 ZINC000103212628 543097442 /nfs/dbraw/zinc/09/74/42/543097442.db2.gz RTCRIEASRTWLBM-UHFFFAOYSA-N 1 3 371.529 2.114 20 0 FEADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000105205365 543164624 /nfs/dbraw/zinc/16/46/24/543164624.db2.gz CFGVRLFSNBHQLX-QGZVFWFLSA-N 1 3 362.518 2.158 20 0 FEADHO CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000105205365 543164628 /nfs/dbraw/zinc/16/46/28/543164628.db2.gz CFGVRLFSNBHQLX-QGZVFWFLSA-N 1 3 362.518 2.158 20 0 FEADHO COc1cc(CNCCN2CC[NH2+]CC2)ccc1OCc1ccc(F)cc1 ZINC000106958342 543258196 /nfs/dbraw/zinc/25/81/96/543258196.db2.gz FDEPGSXWUXVTLD-UHFFFAOYSA-N 1 3 373.472 2.408 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000108618809 543298457 /nfs/dbraw/zinc/29/84/57/543298457.db2.gz VKGCVKKAKRWHGF-IBGZPJMESA-N 1 3 372.513 2.067 20 0 FEADHO C[C@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000111599707 543408323 /nfs/dbraw/zinc/40/83/23/543408323.db2.gz XWUPXOLRVWPBBL-GOSISDBHSA-N 1 3 358.530 2.188 20 0 FEADHO C[C@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000111599707 543408326 /nfs/dbraw/zinc/40/83/26/543408326.db2.gz XWUPXOLRVWPBBL-GOSISDBHSA-N 1 3 358.530 2.188 20 0 FEADHO C[C@H]([NH2+]C1(CNC(=O)NC2CCN(C)CC2)CCOCC1)c1ccccc1 ZINC000113579255 543490986 /nfs/dbraw/zinc/49/09/86/543490986.db2.gz UGBLOZXQCCJEDU-KRWDZBQOSA-N 1 3 374.529 2.280 20 0 FEADHO CC[N@H+](C)CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(OC)cc1 ZINC000115811814 543587727 /nfs/dbraw/zinc/58/77/27/543587727.db2.gz RMFQROXHBUFARP-PKOBYXMFSA-N 1 3 362.518 2.329 20 0 FEADHO CC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(OC)cc1 ZINC000115811814 543587730 /nfs/dbraw/zinc/58/77/30/543587730.db2.gz RMFQROXHBUFARP-PKOBYXMFSA-N 1 3 362.518 2.329 20 0 FEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000124170291 543804387 /nfs/dbraw/zinc/80/43/87/543804387.db2.gz GAOOINMQWGDQIL-NHCUHLMSSA-N 1 3 372.557 2.356 20 0 FEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000124170291 543804390 /nfs/dbraw/zinc/80/43/90/543804390.db2.gz GAOOINMQWGDQIL-NHCUHLMSSA-N 1 3 372.557 2.356 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000124988429 543855389 /nfs/dbraw/zinc/85/53/89/543855389.db2.gz UZMANMNLKFKYPP-WDSOQIARSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CN1Cc1ccccc1 ZINC000124988429 543855391 /nfs/dbraw/zinc/85/53/91/543855391.db2.gz UZMANMNLKFKYPP-WDSOQIARSA-N 1 3 356.514 2.433 20 0 FEADHO Cc1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1F ZINC000126112033 543918123 /nfs/dbraw/zinc/91/81/23/543918123.db2.gz UPXYFCAUFBDAFV-UHFFFAOYSA-N 1 3 362.493 2.492 20 0 FEADHO Cc1cc(C)cc(OC[C@@H](O)CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000126478342 543938376 /nfs/dbraw/zinc/93/83/76/543938376.db2.gz OBGOGRSIRWFUNV-FQEVSTJZSA-N 1 3 363.546 2.001 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(Cl)nc3)CC2)CC1 ZINC000127508227 543997610 /nfs/dbraw/zinc/99/76/10/543997610.db2.gz AMJDEOHEUANBBA-UHFFFAOYSA-N 1 3 365.909 2.093 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(-n2ccnc2)cc1 ZINC000128126612 544033930 /nfs/dbraw/zinc/03/39/30/544033930.db2.gz MBTDLUNBKXCFJS-AEFFLSMTSA-N 1 3 355.486 2.110 20 0 FEADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128258010 544041887 /nfs/dbraw/zinc/04/18/87/544041887.db2.gz WRARAGSVNDHSGJ-INIZCTEOSA-N 1 3 350.482 2.160 20 0 FEADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000130114097 544139005 /nfs/dbraw/zinc/13/90/05/544139005.db2.gz KSQKXRLBNHAZDD-WFASDCNBSA-N 1 3 354.292 2.251 20 0 FEADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000130114097 544139007 /nfs/dbraw/zinc/13/90/07/544139007.db2.gz KSQKXRLBNHAZDD-WFASDCNBSA-N 1 3 354.292 2.251 20 0 FEADHO Cc1nn(C)c(N2CCOCC2)c1CN1CCC(CCC[NH+](C)C)CC1 ZINC000131289213 544184275 /nfs/dbraw/zinc/18/42/75/544184275.db2.gz WNORDYTUEZCWFX-UHFFFAOYSA-N 1 3 363.550 2.119 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN2CCCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000133220694 544260846 /nfs/dbraw/zinc/26/08/46/544260846.db2.gz YBNOJSSJENYGTM-IBGZPJMESA-N 1 3 372.557 2.183 20 0 FEADHO CC(C)N(CC[NH+](C)C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000151977729 544602780 /nfs/dbraw/zinc/60/27/80/544602780.db2.gz URSJKCFJPRSKTH-UHFFFAOYSA-N 1 3 360.546 2.387 20 0 FEADHO COc1ccc(F)cc1[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000153698517 544810529 /nfs/dbraw/zinc/81/05/29/544810529.db2.gz CZQMSONDSQPCSD-AWEZNQCLSA-N 1 3 354.470 2.030 20 0 FEADHO CC1CC[NH+](CCN2CCN(CCN(C)Cc3ccccc3)CC2)CC1 ZINC000153777821 544822163 /nfs/dbraw/zinc/82/21/63/544822163.db2.gz OZDQNNNJWAKQPL-UHFFFAOYSA-N 1 3 358.574 2.468 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000154072395 544860313 /nfs/dbraw/zinc/86/03/13/544860313.db2.gz LIHQNTRFEKAGFA-KRWDZBQOSA-N 1 3 352.910 2.462 20 0 FEADHO C[C@@H](c1nc(-c2cccs2)no1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178979580 327619648 /nfs/dbraw/zinc/61/96/48/327619648.db2.gz FJUGPHKLSUDYQG-AWEZNQCLSA-N 1 3 361.515 2.476 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000181975146 327755074 /nfs/dbraw/zinc/75/50/74/327755074.db2.gz ZOIPVVDIXPWPJA-QRVBRYPASA-N 1 3 357.498 2.025 20 0 FEADHO C[C@H](CCNC(=O)C(=O)Nc1cccc(CN(C)C)c1)[NH+]1CCCCC1 ZINC000182151533 327763209 /nfs/dbraw/zinc/76/32/09/327763209.db2.gz HNTQKCACOLLQJM-MRXNPFEDSA-N 1 3 360.502 2.067 20 0 FEADHO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000183160648 327804852 /nfs/dbraw/zinc/80/48/52/327804852.db2.gz UJCKNLMOARALDA-MSOLQXFVSA-N 1 3 351.516 2.243 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000189449167 328148745 /nfs/dbraw/zinc/14/87/45/328148745.db2.gz LZMLSZSIIROLRQ-LJQANCHMSA-N 1 3 374.529 2.458 20 0 FEADHO CCN(C)c1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cn1 ZINC000191131217 328251114 /nfs/dbraw/zinc/25/11/14/328251114.db2.gz GTDRTEPDXCZMSS-UHFFFAOYSA-N 1 3 369.513 2.119 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085367041 325251470 /nfs/dbraw/zinc/25/14/70/325251470.db2.gz RLJSCKXGRPFYEM-MRXNPFEDSA-N 1 3 356.555 2.151 20 0 FEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088508363 325296108 /nfs/dbraw/zinc/29/61/08/325296108.db2.gz DYASGTGVIHXPEG-DLBZAZTESA-N 1 3 350.507 2.473 20 0 FEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000088508363 325296111 /nfs/dbraw/zinc/29/61/11/325296111.db2.gz DYASGTGVIHXPEG-DLBZAZTESA-N 1 3 350.507 2.473 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)[C@H](CO)SC)CC1 ZINC000088727797 325299657 /nfs/dbraw/zinc/29/96/57/325299657.db2.gz UZYJQVFQATXKNS-LPHOPBHVSA-N 1 3 351.560 2.421 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000119356566 326153420 /nfs/dbraw/zinc/15/34/20/326153420.db2.gz APJMCWBPFRKLJV-CABCVRRESA-N 1 3 373.588 2.393 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000119356566 326153422 /nfs/dbraw/zinc/15/34/22/326153422.db2.gz APJMCWBPFRKLJV-CABCVRRESA-N 1 3 373.588 2.393 20 0 FEADHO CN(c1ccccc1CNC[C@H]1CN(C2CC2)CCO1)C1CC[NH+](C)CC1 ZINC000134023256 326618670 /nfs/dbraw/zinc/61/86/70/326618670.db2.gz JEIRESQZLBAVFI-NRFANRHFSA-N 1 3 372.557 2.170 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@]2(CCO)CCOC2)CC1 ZINC000134423472 326625293 /nfs/dbraw/zinc/62/52/93/326625293.db2.gz YOVPDVVULUFLSV-NRFANRHFSA-N 1 3 361.530 2.097 20 0 FEADHO C[C@@H](CN1CCN(C)CC1)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000154990169 326774524 /nfs/dbraw/zinc/77/45/24/326774524.db2.gz CISAWYFJDIIKIE-SFHVURJKSA-N 1 3 362.537 2.058 20 0 FEADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc2c(s1)CCC2 ZINC000168929533 327087766 /nfs/dbraw/zinc/08/77/66/327087766.db2.gz IAIXFVQSNVBJTP-MRXNPFEDSA-N 1 3 351.560 2.278 20 0 FEADHO CSCC[C@@H](N)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000169094005 327087894 /nfs/dbraw/zinc/08/78/94/327087894.db2.gz HMNZIUSHGJQMNH-MRXNPFEDSA-N 1 3 351.516 2.489 20 0 FEADHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000169222770 327088053 /nfs/dbraw/zinc/08/80/53/327088053.db2.gz KPIXELXICGNCGI-OAHLLOKOSA-N 1 3 365.905 2.299 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171668825 327153773 /nfs/dbraw/zinc/15/37/73/327153773.db2.gz IZPLLUJIVAQMOE-LJQANCHMSA-N 1 3 374.529 2.397 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000173518318 327263388 /nfs/dbraw/zinc/26/33/88/327263388.db2.gz MONJAMTVACBBGL-LJQANCHMSA-N 1 3 362.518 2.000 20 0 FEADHO C[NH+](C)CCn1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)n1 ZINC000173952397 327297167 /nfs/dbraw/zinc/29/71/67/327297167.db2.gz NANDGSQACKQXRU-GOSISDBHSA-N 1 3 370.501 2.403 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1nccs1 ZINC000174771500 327349829 /nfs/dbraw/zinc/34/98/29/327349829.db2.gz XONRGJRYRXGPFI-LSDHHAIUSA-N 1 3 353.536 2.262 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1nccs1 ZINC000174771500 327349830 /nfs/dbraw/zinc/34/98/30/327349830.db2.gz XONRGJRYRXGPFI-LSDHHAIUSA-N 1 3 353.536 2.262 20 0 FEADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176226927 327442114 /nfs/dbraw/zinc/44/21/14/327442114.db2.gz JIFSADWJNBBNIO-SFHVURJKSA-N 1 3 356.555 2.151 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000262478152 328868330 /nfs/dbraw/zinc/86/83/30/328868330.db2.gz XQXGQKWVUNLEPN-LPHOPBHVSA-N 1 3 359.514 2.412 20 0 FEADHO C[C@@H](CC(=O)NCc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000262637309 328877895 /nfs/dbraw/zinc/87/78/95/328877895.db2.gz IIUGZVZOANRZRG-FXAWDEMLSA-N 1 3 373.541 2.285 20 0 FEADHO COCCCN(C)CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000266586335 329239032 /nfs/dbraw/zinc/23/90/32/329239032.db2.gz MLBGKFRSEDRILH-UHFFFAOYSA-N 1 3 362.518 2.050 20 0 FEADHO CCN1CCN(CCC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000266893780 329269789 /nfs/dbraw/zinc/26/97/89/329269789.db2.gz GALBRWOJOLSLQM-LJQANCHMSA-N 1 3 360.546 2.041 20 0 FEADHO CCN1CCN(CCC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000266893780 329269791 /nfs/dbraw/zinc/26/97/91/329269791.db2.gz GALBRWOJOLSLQM-LJQANCHMSA-N 1 3 360.546 2.041 20 0 FEADHO COc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1Cn1cccn1 ZINC000268974692 329473975 /nfs/dbraw/zinc/47/39/75/329473975.db2.gz IXJIMAVYEICJSR-MRXNPFEDSA-N 1 3 358.486 2.047 20 0 FEADHO CCO[C@H](CCN(C)C)C[NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000273565317 329875124 /nfs/dbraw/zinc/87/51/24/329875124.db2.gz JHGATYJTALXDPQ-IAGOWNOFSA-N 1 3 356.532 2.104 20 0 FEADHO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000367253030 330236304 /nfs/dbraw/zinc/23/63/04/330236304.db2.gz STJQJPHUFOLCBR-PMACEKPBSA-N 1 3 364.578 2.268 20 0 FEADHO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000367253030 330236306 /nfs/dbraw/zinc/23/63/06/330236306.db2.gz STJQJPHUFOLCBR-PMACEKPBSA-N 1 3 364.578 2.268 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000155665936 545556345 /nfs/dbraw/zinc/55/63/45/545556345.db2.gz IESNRUPYJKGZAF-QZTJIDSGSA-N 1 3 358.530 2.490 20 0 FEADHO COCC1(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000479208251 561184732 /nfs/dbraw/zinc/18/47/32/561184732.db2.gz KZTBXWXSSYEGNN-HXUWFJFHSA-N 1 3 373.541 2.202 20 0 FEADHO C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000479339485 561187743 /nfs/dbraw/zinc/18/77/43/561187743.db2.gz GKFNKYGMPUZPFF-QAPCUYQASA-N 1 3 350.482 2.460 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000479339485 561187744 /nfs/dbraw/zinc/18/77/44/561187744.db2.gz GKFNKYGMPUZPFF-QAPCUYQASA-N 1 3 350.482 2.460 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000479377646 561188540 /nfs/dbraw/zinc/18/85/40/561188540.db2.gz GRJAJXHNMSXMMH-LJQANCHMSA-N 1 3 362.518 2.329 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000176096510 546405858 /nfs/dbraw/zinc/40/58/58/546405858.db2.gz UZTOUZAUGMGTSF-AYHJJNSGSA-N 1 3 372.513 2.127 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000176096510 546405860 /nfs/dbraw/zinc/40/58/60/546405860.db2.gz UZTOUZAUGMGTSF-AYHJJNSGSA-N 1 3 372.513 2.127 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000176243140 546424105 /nfs/dbraw/zinc/42/41/05/546424105.db2.gz NGOBAENJGNYBQD-UHFFFAOYSA-N 1 3 366.550 2.049 20 0 FEADHO Cc1c([C@@H](C)NC2CCN(CC[NH+](C)C)CC2)nnn1-c1ccccc1 ZINC000480538477 561211460 /nfs/dbraw/zinc/21/14/60/561211460.db2.gz STOBLFBESUWGEZ-MRXNPFEDSA-N 1 3 356.518 2.252 20 0 FEADHO CN(c1ccccc1CNCCN1CCOCC1(C)C)C1CC[NH+](C)CC1 ZINC000177575412 546646774 /nfs/dbraw/zinc/64/67/74/546646774.db2.gz FXISGWDXKSHJEO-UHFFFAOYSA-N 1 3 374.573 2.417 20 0 FEADHO CN(c1ccccc1C[NH2+]CCN1CCOCC1(C)C)C1CCN(C)CC1 ZINC000177575412 546646776 /nfs/dbraw/zinc/64/67/76/546646776.db2.gz FXISGWDXKSHJEO-UHFFFAOYSA-N 1 3 374.573 2.417 20 0 FEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481260501 561229077 /nfs/dbraw/zinc/22/90/77/561229077.db2.gz DIXNWYQQZFZUDR-CRAIPNDOSA-N 1 3 356.580 2.233 20 0 FEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481260501 561229078 /nfs/dbraw/zinc/22/90/78/561229078.db2.gz DIXNWYQQZFZUDR-CRAIPNDOSA-N 1 3 356.580 2.233 20 0 FEADHO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C[C@H]2CCN(C3CC3)C2)C1 ZINC000180466068 547111335 /nfs/dbraw/zinc/11/13/35/547111335.db2.gz LCVPWEDXBYNVBD-OAHLLOKOSA-N 1 3 366.502 2.112 20 0 FEADHO CN1CCCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000180665251 547154474 /nfs/dbraw/zinc/15/44/74/547154474.db2.gz KGUDWQHNURRGJT-UHFFFAOYSA-N 1 3 362.543 2.447 20 0 FEADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180962318 547221101 /nfs/dbraw/zinc/22/11/01/547221101.db2.gz CZKATRZWFWVGMS-IBGZPJMESA-N 1 3 374.573 2.300 20 0 FEADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)Nc3cccnc3)CC2)C[C@@H](C)O1 ZINC000483569115 561279942 /nfs/dbraw/zinc/27/99/42/561279942.db2.gz SWTDDOIUWHZSEL-IAGOWNOFSA-N 1 3 360.502 2.231 20 0 FEADHO COCCN1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182562362 547513663 /nfs/dbraw/zinc/51/36/63/547513663.db2.gz RGUMWPMSMRAOPZ-IAGOWNOFSA-N 1 3 366.550 2.049 20 0 FEADHO COCCN1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182562362 547513668 /nfs/dbraw/zinc/51/36/68/547513668.db2.gz RGUMWPMSMRAOPZ-IAGOWNOFSA-N 1 3 366.550 2.049 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000183242500 547625846 /nfs/dbraw/zinc/62/58/46/547625846.db2.gz STFIPIGWMSGCJJ-KRWDZBQOSA-N 1 3 362.518 2.120 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000183242500 547625850 /nfs/dbraw/zinc/62/58/50/547625850.db2.gz STFIPIGWMSGCJJ-KRWDZBQOSA-N 1 3 362.518 2.120 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCC(F)(F)F ZINC000184744014 547873532 /nfs/dbraw/zinc/87/35/32/547873532.db2.gz GLRUIFOGXXXWCZ-VMZNBEPHSA-N 1 3 357.420 2.411 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCC(F)(F)F ZINC000184744057 547874243 /nfs/dbraw/zinc/87/42/43/547874243.db2.gz GLRUIFOGXXXWCZ-ZIAGYGMSSA-N 1 3 357.420 2.411 20 0 FEADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000485809116 561328589 /nfs/dbraw/zinc/32/85/89/561328589.db2.gz APIWCTNZDNSEJJ-ZWKOTPCHSA-N 1 3 367.497 2.271 20 0 FEADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000485809114 561328626 /nfs/dbraw/zinc/32/86/26/561328626.db2.gz APIWCTNZDNSEJJ-QZTJIDSGSA-N 1 3 367.497 2.271 20 0 FEADHO CN(C)C1(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)Cc2ccccc2C1 ZINC000486086849 561337781 /nfs/dbraw/zinc/33/77/81/561337781.db2.gz DIKMJQLCVPVFLI-WOJBJXKFSA-N 1 3 370.541 2.211 20 0 FEADHO CN(C)C1(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)Cc2ccccc2C1 ZINC000486086849 561337782 /nfs/dbraw/zinc/33/77/82/561337782.db2.gz DIKMJQLCVPVFLI-WOJBJXKFSA-N 1 3 370.541 2.211 20 0 FEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc2cccnc2s1 ZINC000193921990 548405940 /nfs/dbraw/zinc/40/59/40/548405940.db2.gz YDNHWKRQIWXYBE-AWEZNQCLSA-N 1 3 361.515 2.179 20 0 FEADHO COCC[NH2+]CC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000237168900 548804800 /nfs/dbraw/zinc/80/48/00/548804800.db2.gz VVBPPNNAROTHTI-UHFFFAOYSA-N 1 3 359.514 2.270 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cc1)[C@H]1CCCN(C)C1 ZINC000237187408 548805842 /nfs/dbraw/zinc/80/58/42/548805842.db2.gz DOLZCSVTXQJXET-RXVVDRJESA-N 1 3 372.513 2.181 20 0 FEADHO C[C@@H](CC(=O)NC1CCN(CCc2ccncc2)CC1)C1CC[NH2+]CC1 ZINC000237400143 548823183 /nfs/dbraw/zinc/82/31/83/548823183.db2.gz RXGZKYZZMPMBNI-KRWDZBQOSA-N 1 3 358.530 2.231 20 0 FEADHO C[C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000237410059 548823855 /nfs/dbraw/zinc/82/38/55/548823855.db2.gz BGQICDODRKCXER-FXAWDEMLSA-N 1 3 359.514 2.426 20 0 FEADHO C[C@H](CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237672564 548844012 /nfs/dbraw/zinc/84/40/12/548844012.db2.gz VSURBJTYZXXABI-WIYYLYMNSA-N 1 3 372.557 2.076 20 0 FEADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488036585 561381760 /nfs/dbraw/zinc/38/17/60/561381760.db2.gz BCMLFQAVXVIBFM-MTHXSQLBSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488036585 561381761 /nfs/dbraw/zinc/38/17/61/561381761.db2.gz BCMLFQAVXVIBFM-MTHXSQLBSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCCN(C)Cc2ccccc2)C[C@@H](C)C1 ZINC000488041148 561381981 /nfs/dbraw/zinc/38/19/81/561381981.db2.gz HGVVQQCIMPRGKM-CMKODMSKSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NCCN(C)Cc2ccccc2)C[C@@H](C)C1 ZINC000488041148 561381982 /nfs/dbraw/zinc/38/19/82/561381982.db2.gz HGVVQQCIMPRGKM-CMKODMSKSA-N 1 3 358.530 2.490 20 0 FEADHO CN(C)C(=O)[C@@H]1CC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000245680748 548974070 /nfs/dbraw/zinc/97/40/70/548974070.db2.gz IUVBCTZQLOVFBC-XNTOXWQXSA-N 1 3 371.525 2.407 20 0 FEADHO CN(C)C(=O)[C@@H]1CC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000245680748 548974075 /nfs/dbraw/zinc/97/40/75/548974075.db2.gz IUVBCTZQLOVFBC-XNTOXWQXSA-N 1 3 371.525 2.407 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1[C@H](C)CC[C@@H]1C ZINC000245745143 548987545 /nfs/dbraw/zinc/98/75/45/548987545.db2.gz FTIAUOKRVLGBFU-LMCLKVLCSA-N 1 3 351.535 2.132 20 0 FEADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2Br)CC[N@@H+]1C ZINC000246298342 549100172 /nfs/dbraw/zinc/10/01/72/549100172.db2.gz CXFYHFJKKFYWEQ-MGPQQGTHSA-N 1 3 357.292 2.261 20 0 FEADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2Br)CC[N@H+]1C ZINC000246298342 549100175 /nfs/dbraw/zinc/10/01/75/549100175.db2.gz CXFYHFJKKFYWEQ-MGPQQGTHSA-N 1 3 357.292 2.261 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000246311440 549101985 /nfs/dbraw/zinc/10/19/85/549101985.db2.gz MGSLHEUUHVIVTI-SJLPKXTDSA-N 1 3 362.518 2.109 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000246311440 549101989 /nfs/dbraw/zinc/10/19/89/549101989.db2.gz MGSLHEUUHVIVTI-SJLPKXTDSA-N 1 3 362.518 2.109 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000246461876 549138915 /nfs/dbraw/zinc/13/89/15/549138915.db2.gz GECGGJRHDQFJFS-AOIWGVFYSA-N 1 3 352.567 2.028 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)[C@@H](C)C1 ZINC000247077888 549278711 /nfs/dbraw/zinc/27/87/11/549278711.db2.gz XLLJSDLUKLRADL-BMFAXAFESA-N 1 3 366.550 2.048 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)[C@@H](C)C1 ZINC000247077888 549278715 /nfs/dbraw/zinc/27/87/15/549278715.db2.gz XLLJSDLUKLRADL-BMFAXAFESA-N 1 3 366.550 2.048 20 0 FEADHO O=C(NC[C@H]1CCC[NH2+]1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000247323835 549318751 /nfs/dbraw/zinc/31/87/51/549318751.db2.gz SWUGOTSAPNPJDU-WBVHZDCISA-N 1 3 355.404 2.309 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000247324456 549319033 /nfs/dbraw/zinc/31/90/33/549319033.db2.gz IHKNXLNMUVENSI-TZIWHRDSSA-N 1 3 372.557 2.387 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000247324456 549319038 /nfs/dbraw/zinc/31/90/38/549319038.db2.gz IHKNXLNMUVENSI-TZIWHRDSSA-N 1 3 372.557 2.387 20 0 FEADHO CC[NH+]1CCC(CCNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000489342413 561408599 /nfs/dbraw/zinc/40/85/99/561408599.db2.gz XAUZJZCVDLPVGZ-JENIJYKNSA-N 1 3 350.551 2.480 20 0 FEADHO NC(=O)C1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000248403134 549429004 /nfs/dbraw/zinc/42/90/04/549429004.db2.gz OEWVRFZFDLPXOQ-HSALFYBXSA-N 1 3 371.525 2.159 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000249347977 549582824 /nfs/dbraw/zinc/58/28/24/549582824.db2.gz OVKQNHNHYULIBL-FPOVZHCZSA-N 1 3 372.557 2.213 20 0 FEADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H](N)C3CCOCC3)cc2)C1 ZINC000262077069 549787197 /nfs/dbraw/zinc/78/71/97/549787197.db2.gz SWGAXOYLTAPWMN-HNAYVOBHSA-N 1 3 361.486 2.100 20 0 FEADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H](N)C3CCOCC3)cc2)C1 ZINC000262077069 549787201 /nfs/dbraw/zinc/78/72/01/549787201.db2.gz SWGAXOYLTAPWMN-HNAYVOBHSA-N 1 3 361.486 2.100 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000262274727 549804873 /nfs/dbraw/zinc/80/48/73/549804873.db2.gz JDNFKALAILMUER-RTBURBONSA-N 1 3 358.530 2.223 20 0 FEADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@@H](C)C1 ZINC000490366496 561431800 /nfs/dbraw/zinc/43/18/00/561431800.db2.gz JTZFMWJELQKDNR-MHORFTMASA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@@H](C)C1 ZINC000490366496 561431801 /nfs/dbraw/zinc/43/18/01/561431801.db2.gz JTZFMWJELQKDNR-MHORFTMASA-N 1 3 350.551 2.479 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1(C)C ZINC000262790024 549849950 /nfs/dbraw/zinc/84/99/50/549849950.db2.gz NQUBIQFSJOQKHS-DBXWQHBBSA-N 1 3 365.562 2.489 20 0 FEADHO [NH3+]CCOc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000263231893 549887479 /nfs/dbraw/zinc/88/74/79/549887479.db2.gz AWWCUMNRQMHJPO-UHFFFAOYSA-N 1 3 368.481 2.175 20 0 FEADHO C[N@H+](CCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)C1CC1 ZINC000491837706 561447853 /nfs/dbraw/zinc/44/78/53/561447853.db2.gz NBWXLXLXCREOBA-UHFFFAOYSA-N 1 3 366.550 2.194 20 0 FEADHO C[N@@H+](CCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)C1CC1 ZINC000491837706 561447854 /nfs/dbraw/zinc/44/78/54/561447854.db2.gz NBWXLXLXCREOBA-UHFFFAOYSA-N 1 3 366.550 2.194 20 0 FEADHO CC[C@@H](C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1)N(C)C ZINC000268811873 550118943 /nfs/dbraw/zinc/11/89/43/550118943.db2.gz HNITWNDLCVNOFD-SFHVURJKSA-N 1 3 351.466 2.125 20 0 FEADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CNC[C@H]2CCCO2)cc1 ZINC000269222575 550169440 /nfs/dbraw/zinc/16/94/40/550169440.db2.gz AKKSZULJICBWQM-FXAWDEMLSA-N 1 3 359.514 2.446 20 0 FEADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CNC[C@H]2CCCO2)cc1 ZINC000269222575 550169441 /nfs/dbraw/zinc/16/94/41/550169441.db2.gz AKKSZULJICBWQM-FXAWDEMLSA-N 1 3 359.514 2.446 20 0 FEADHO CC(C)[C@@H](C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1)[NH+](C)C ZINC000269267942 550174349 /nfs/dbraw/zinc/17/43/49/550174349.db2.gz MHCHXCHNUGBPGT-IBGZPJMESA-N 1 3 365.493 2.371 20 0 FEADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CNC[C@H]3CCCO3)cc2)C1 ZINC000269277209 550175869 /nfs/dbraw/zinc/17/58/69/550175869.db2.gz XUDUTTLZTVGDIB-QFBILLFUSA-N 1 3 361.486 2.114 20 0 FEADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CNC[C@H]3CCCO3)cc2)C1 ZINC000269277209 550175871 /nfs/dbraw/zinc/17/58/71/550175871.db2.gz XUDUTTLZTVGDIB-QFBILLFUSA-N 1 3 361.486 2.114 20 0 FEADHO O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000269570502 550207401 /nfs/dbraw/zinc/20/74/01/550207401.db2.gz IFDLCCRWAVMLHE-HXUWFJFHSA-N 1 3 359.514 2.249 20 0 FEADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000271527595 550382390 /nfs/dbraw/zinc/38/23/90/550382390.db2.gz QMQIDGYERWBPHT-GDIGMMSISA-N 1 3 366.527 2.119 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000273202970 550489473 /nfs/dbraw/zinc/48/94/73/550489473.db2.gz LPPSMPMOQSVTRI-UHFFFAOYSA-N 1 3 372.557 2.172 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)CC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000494656560 561473594 /nfs/dbraw/zinc/47/35/94/561473594.db2.gz VVOSOWGMZAHNII-ZIFCJYIRSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)N(C)C1CC1 ZINC000277773955 550712516 /nfs/dbraw/zinc/71/25/16/550712516.db2.gz TUXRWHVQADENOL-INIZCTEOSA-N 1 3 369.513 2.324 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccsc1 ZINC000278989889 550844029 /nfs/dbraw/zinc/84/40/29/550844029.db2.gz KXRZTBQEZGCITD-DYVFJYSZSA-N 1 3 361.515 2.361 20 0 FEADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000282421908 551226668 /nfs/dbraw/zinc/22/66/68/551226668.db2.gz STCAFQLXHVMBCS-PZJWPPBQSA-N 1 3 374.573 2.064 20 0 FEADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000284140335 551490938 /nfs/dbraw/zinc/49/09/38/551490938.db2.gz OUBSJUJHUBFHDX-MJGOQNOKSA-N 1 3 368.543 2.115 20 0 FEADHO CC(C)[C@@H](Cn1cccn1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000284289824 551516031 /nfs/dbraw/zinc/51/60/31/551516031.db2.gz XWDLNYIPUKNTHX-HXUWFJFHSA-N 1 3 356.518 2.105 20 0 FEADHO N[C@H](CC(F)F)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000498212310 561518742 /nfs/dbraw/zinc/51/87/42/561518742.db2.gz NWDJAHHIXFSJGB-OAHLLOKOSA-N 1 3 368.428 2.422 20 0 FEADHO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000285135382 551709602 /nfs/dbraw/zinc/70/96/02/551709602.db2.gz QLDJVOBZVSLDOP-IAGOWNOFSA-N 1 3 351.441 2.212 20 0 FEADHO C[N@H+]1CC[C@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000285135382 551709603 /nfs/dbraw/zinc/70/96/03/551709603.db2.gz QLDJVOBZVSLDOP-IAGOWNOFSA-N 1 3 351.441 2.212 20 0 FEADHO Cc1nccn1CCCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286168798 551856779 /nfs/dbraw/zinc/85/67/79/551856779.db2.gz WRYBUONIIHLPFF-JOCHJYFZSA-N 1 3 367.541 2.474 20 0 FEADHO Cc1nccn1CCCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286168798 551856780 /nfs/dbraw/zinc/85/67/80/551856780.db2.gz WRYBUONIIHLPFF-JOCHJYFZSA-N 1 3 367.541 2.474 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000287587897 552022570 /nfs/dbraw/zinc/02/25/70/552022570.db2.gz KYABZLQMKAOIAB-LMMKCTJWSA-N 1 3 362.518 2.470 20 0 FEADHO COc1cc(OC)c(OC)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000289138850 552271826 /nfs/dbraw/zinc/27/18/26/552271826.db2.gz AEBDLLOIIDOINL-UHFFFAOYSA-N 1 3 365.518 2.170 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc2c(c1)c(C)nn2C ZINC000289494206 552330716 /nfs/dbraw/zinc/33/07/16/552330716.db2.gz SBKZREVGWRZVEW-SFHVURJKSA-N 1 3 358.534 2.125 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc2c(c1)c(C)nn2C ZINC000289494206 552330718 /nfs/dbraw/zinc/33/07/18/552330718.db2.gz SBKZREVGWRZVEW-SFHVURJKSA-N 1 3 358.534 2.125 20 0 FEADHO C[C@@H](C(=O)NCc1ccncc1OCCC[NH+](C)C)N1CCCCCC1 ZINC000290680431 552518674 /nfs/dbraw/zinc/51/86/74/552518674.db2.gz QGGTWFNILGXCAT-KRWDZBQOSA-N 1 3 362.518 2.293 20 0 FEADHO C[C@H]1CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000292117081 552695394 /nfs/dbraw/zinc/69/53/94/552695394.db2.gz HLXBODITWMSXRW-GHTZIAJQSA-N 1 3 372.557 2.212 20 0 FEADHO C[C@H]1CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC[N@H+](C2CCC2)C1 ZINC000292117081 552695396 /nfs/dbraw/zinc/69/53/96/552695396.db2.gz HLXBODITWMSXRW-GHTZIAJQSA-N 1 3 372.557 2.212 20 0 FEADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc2c(c1)OCO2 ZINC000292331833 552716727 /nfs/dbraw/zinc/71/67/27/552716727.db2.gz RZVFNFRBYUMPEY-OAHLLOKOSA-N 1 3 373.497 2.194 20 0 FEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](CO)CC1 ZINC000293001270 552779106 /nfs/dbraw/zinc/77/91/06/552779106.db2.gz CVNVOYCAVPCRQS-ICSRJNTNSA-N 1 3 373.541 2.250 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297014439 553242167 /nfs/dbraw/zinc/24/21/67/553242167.db2.gz LBUHHOAFAWJFJZ-AYHJJNSGSA-N 1 3 360.502 2.051 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297014439 553242168 /nfs/dbraw/zinc/24/21/68/553242168.db2.gz LBUHHOAFAWJFJZ-AYHJJNSGSA-N 1 3 360.502 2.051 20 0 FEADHO C[NH+](C)CCn1nccc1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000297334272 553279653 /nfs/dbraw/zinc/27/96/53/553279653.db2.gz JFYVTWMXCUGJAG-UHFFFAOYSA-N 1 3 370.501 2.185 20 0 FEADHO C[C@H]([NH2+]C1(CNC(=O)NCCN(C)C2CC2)CCOCC1)c1ccccc1 ZINC000503019908 561632419 /nfs/dbraw/zinc/63/24/19/561632419.db2.gz ALDNKONJQWXWAP-KRWDZBQOSA-N 1 3 374.529 2.280 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)N2CCc3ccccc32)C1 ZINC000503116158 561634780 /nfs/dbraw/zinc/63/47/80/561634780.db2.gz VJJPOEJXYWHRQV-LJQANCHMSA-N 1 3 359.514 2.399 20 0 FEADHO CCN1CCN(CCC(=O)NCc2ccccc2C[NH+](CC)CC)CC1 ZINC000299583559 553584523 /nfs/dbraw/zinc/58/45/23/553584523.db2.gz CDOYLCOMFBYPFC-UHFFFAOYSA-N 1 3 360.546 2.172 20 0 FEADHO CCOC(=O)C[C@@H](O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000311912377 553755589 /nfs/dbraw/zinc/75/55/89/553755589.db2.gz FKTCMFCOFNICNR-LJQANCHMSA-N 1 3 360.498 2.289 20 0 FEADHO COCC(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000507472334 561730238 /nfs/dbraw/zinc/73/02/38/561730238.db2.gz QUXAGWYZLRKHDO-HLAWJBBLSA-N 1 3 371.525 2.124 20 0 FEADHO C[C@@H]1C[NH+](CC2CCN(Cc3ccc4c(c3)oc(=O)n4C)CC2)C[C@@H](C)O1 ZINC000507835134 561742644 /nfs/dbraw/zinc/74/26/44/561742644.db2.gz XWTMBOXJGMLVGD-HZPDHXFCSA-N 1 3 373.497 2.453 20 0 FEADHO C[NH+]1CCC(C)(CNC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000508059954 561749898 /nfs/dbraw/zinc/74/98/98/561749898.db2.gz SGGUFNQRDYOLIK-UHFFFAOYSA-N 1 3 358.530 2.466 20 0 FEADHO C[C@H]1CN(CC2CCN(C(=O)NCC3([NH3+])CCCCC3)CC2)C[C@H](C)O1 ZINC000331956578 554352232 /nfs/dbraw/zinc/35/22/32/554352232.db2.gz IYGOODFBTWPLRK-IRXDYDNUSA-N 1 3 366.550 2.179 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)C3CCC(OC(F)F)CC3)CC2)CC1 ZINC000509553972 561805078 /nfs/dbraw/zinc/80/50/78/561805078.db2.gz FXUQVBAUJLRDJZ-UHFFFAOYSA-N 1 3 373.488 2.459 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)c(C)c2)CC1 ZINC000333145239 554579376 /nfs/dbraw/zinc/57/93/76/554579376.db2.gz LQVYWBFOZMAOHW-QXAKKESOSA-N 1 3 371.529 2.338 20 0 FEADHO C[C@H](NC(=O)NCC1(N2CCSCC2)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000333461968 554615545 /nfs/dbraw/zinc/61/55/45/554615545.db2.gz ZGRNXWKULCTCMI-IRXDYDNUSA-N 1 3 368.591 2.425 20 0 FEADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000333942263 554658936 /nfs/dbraw/zinc/65/89/36/554658936.db2.gz PSZKICIQJGEYRO-HZPDHXFCSA-N 1 3 354.564 2.259 20 0 FEADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC[C@H]1[NH3+] ZINC000333941758 554658943 /nfs/dbraw/zinc/65/89/43/554658943.db2.gz PHJCDKDBPSVGJB-HLLBOEOZSA-N 1 3 350.532 2.339 20 0 FEADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2c(C)nn(C)c2N2CCCN(C)CC2)C1(C)C ZINC000361026580 554901136 /nfs/dbraw/zinc/90/11/36/554901136.db2.gz BQZJJBJTBGHCJJ-FHLIZLRMSA-N 1 3 363.550 2.020 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000363928843 555216108 /nfs/dbraw/zinc/21/61/08/555216108.db2.gz STMWITKOGJSXKF-FUHWJXTLSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000363928843 555216109 /nfs/dbraw/zinc/21/61/09/555216109.db2.gz STMWITKOGJSXKF-FUHWJXTLSA-N 1 3 366.550 2.002 20 0 FEADHO CCCN1CCN(C2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)CC1 ZINC000364611331 555352635 /nfs/dbraw/zinc/35/26/35/555352635.db2.gz GRIIZZSBEMEDFY-UHFFFAOYSA-N 1 3 365.562 2.412 20 0 FEADHO CC(C)[N@H+]1C[C@H](NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)[C@@H](C)C1 ZINC000364663287 555366394 /nfs/dbraw/zinc/36/63/94/555366394.db2.gz MLLLBAPZAAIOKR-WNHJNPCNSA-N 1 3 359.518 2.102 20 0 FEADHO CC(C)[N@@H+]1C[C@H](NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)[C@@H](C)C1 ZINC000364663287 555366399 /nfs/dbraw/zinc/36/63/99/555366399.db2.gz MLLLBAPZAAIOKR-WNHJNPCNSA-N 1 3 359.518 2.102 20 0 FEADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3CCn4ncc(C(N)=O)c4C3)CC2)C1 ZINC000364666225 555367793 /nfs/dbraw/zinc/36/77/93/555367793.db2.gz UUEXNOFDAVWGDQ-SOLBZPMBSA-N 1 3 373.545 2.177 20 0 FEADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3CCn4ncc(C(N)=O)c4C3)CC2)C1 ZINC000364666225 555367796 /nfs/dbraw/zinc/36/77/96/555367796.db2.gz UUEXNOFDAVWGDQ-SOLBZPMBSA-N 1 3 373.545 2.177 20 0 FEADHO CC1CC[NH+](CCCCNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000364733168 555388361 /nfs/dbraw/zinc/38/83/61/555388361.db2.gz BNUYJLKWXZJGJW-ABSDTBQOSA-N 1 3 351.535 2.147 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCCO1 ZINC000365493263 555589967 /nfs/dbraw/zinc/58/99/67/555589967.db2.gz AMKDVSFNQWZHNY-MOPGFXCFSA-N 1 3 366.550 2.147 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCCO1 ZINC000365493269 555590004 /nfs/dbraw/zinc/59/00/04/555590004.db2.gz AMKDVSFNQWZHNY-RBUKOAKNSA-N 1 3 366.550 2.147 20 0 FEADHO CN1CCCN(CCC[NH2+]C2CCN(Cc3cccs3)CC2)CC1 ZINC000366218346 555784346 /nfs/dbraw/zinc/78/43/46/555784346.db2.gz LJAMEGKYINDYTD-UHFFFAOYSA-N 1 3 350.576 2.330 20 0 FEADHO C[C@@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N1CCC[C@@H](C)C1 ZINC000366821083 555943436 /nfs/dbraw/zinc/94/34/36/555943436.db2.gz BGICORJLYTWZRV-AOIWGVFYSA-N 1 3 350.551 2.480 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000366879478 555958434 /nfs/dbraw/zinc/95/84/34/555958434.db2.gz HDHIVQIKNQMTMH-HXUWFJFHSA-N 1 3 372.557 2.213 20 0 FEADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCCS(=O)(=O)C1 ZINC000367451592 556053801 /nfs/dbraw/zinc/05/38/01/556053801.db2.gz RLDMABDRYWSHKG-QGZVFWFLSA-N 1 3 351.516 2.055 20 0 FEADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)C1CCN(CCc2ccccn2)CC1 ZINC000367560840 556083057 /nfs/dbraw/zinc/08/30/57/556083057.db2.gz BJRFMQFXOKHHJD-SIKLNZKXSA-N 1 3 371.573 2.494 20 0 FEADHO C[C@@H]1CN(CCC(=O)OCc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367582145 556089038 /nfs/dbraw/zinc/08/90/38/556089038.db2.gz HUUIVNULIMVQND-UYAOXDASSA-N 1 3 359.514 2.078 20 0 FEADHO C[C@@H]1C[N@H+](CCC(=O)OCc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000367582145 556089040 /nfs/dbraw/zinc/08/90/40/556089040.db2.gz HUUIVNULIMVQND-UYAOXDASSA-N 1 3 359.514 2.078 20 0 FEADHO C[C@@H]1C[N@@H+](CCC(=O)OCc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000367582145 556089042 /nfs/dbraw/zinc/08/90/42/556089042.db2.gz HUUIVNULIMVQND-UYAOXDASSA-N 1 3 359.514 2.078 20 0 FEADHO CCN1CC[C@H](C[NH2+][C@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000367596317 556092890 /nfs/dbraw/zinc/09/28/90/556092890.db2.gz GZCIUYCQEMTQLT-KBAYOESNSA-N 1 3 367.534 2.332 20 0 FEADHO CC[N@@H+]1CC[C@H](CN[C@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000367596317 556092892 /nfs/dbraw/zinc/09/28/92/556092892.db2.gz GZCIUYCQEMTQLT-KBAYOESNSA-N 1 3 367.534 2.332 20 0 FEADHO CC[N@H+]1CC[C@H](CN[C@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000367596317 556092893 /nfs/dbraw/zinc/09/28/93/556092893.db2.gz GZCIUYCQEMTQLT-KBAYOESNSA-N 1 3 367.534 2.332 20 0 FEADHO COC(=O)c1csc([C@@H](C)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367614125 556097694 /nfs/dbraw/zinc/09/76/94/556097694.db2.gz HGBBPHYOZBNVSE-UKRRQHHQSA-N 1 3 351.516 2.354 20 0 FEADHO C[C@@H](C(=O)N(C)C1CCCCC1)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367619309 556098045 /nfs/dbraw/zinc/09/80/45/556098045.db2.gz SYHFVMCPHXISDG-FXAWDEMLSA-N 1 3 364.578 2.266 20 0 FEADHO C[C@H]1CN(CCCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H](C)O1 ZINC000367640401 556102767 /nfs/dbraw/zinc/10/27/67/556102767.db2.gz YWVOIRZRHIIMPT-OEEFBXJYSA-N 1 3 351.535 2.146 20 0 FEADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000367908569 556169445 /nfs/dbraw/zinc/16/94/45/556169445.db2.gz BXDIGEGYAMEYCO-SJLPKXTDSA-N 1 3 354.502 2.086 20 0 FEADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000367908570 556169484 /nfs/dbraw/zinc/16/94/84/556169484.db2.gz BXDIGEGYAMEYCO-WMZOPIPTSA-N 1 3 354.502 2.086 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cccc(-n2ccnn2)c1 ZINC000367908568 556169655 /nfs/dbraw/zinc/16/96/55/556169655.db2.gz BXDIGEGYAMEYCO-FUHWJXTLSA-N 1 3 354.502 2.086 20 0 FEADHO COC(=O)c1cc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cn1C ZINC000368020777 556197164 /nfs/dbraw/zinc/19/71/64/556197164.db2.gz WYLDVQYGQABUEV-SFHVURJKSA-N 1 3 355.482 2.466 20 0 FEADHO CN1CCN(CC2(C)CC[NH+](CCC(=O)OCc3ccccc3)CC2)CC1 ZINC000368820752 556422359 /nfs/dbraw/zinc/42/23/59/556422359.db2.gz GGYXMZKQCFIHJP-UHFFFAOYSA-N 1 3 373.541 2.469 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(CN(C)C)cc2)CC1=O ZINC000369038583 556485316 /nfs/dbraw/zinc/48/53/16/556485316.db2.gz MPSQFBBPTMMSFU-IEBWSBKVSA-N 1 3 372.513 2.020 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(CN(C)C)cc2)CC1=O ZINC000369038583 556485319 /nfs/dbraw/zinc/48/53/19/556485319.db2.gz MPSQFBBPTMMSFU-IEBWSBKVSA-N 1 3 372.513 2.020 20 0 FEADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC2CCN(Cc3cccs3)CC2)C1 ZINC000369047213 556488220 /nfs/dbraw/zinc/48/82/20/556488220.db2.gz LRMNGJWJBNOMNF-MRXNPFEDSA-N 1 3 350.532 2.448 20 0 FEADHO COCCC[N@@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000369660388 556661899 /nfs/dbraw/zinc/66/18/99/556661899.db2.gz IMDMZYPEGAOXMG-LJQANCHMSA-N 1 3 362.518 2.043 20 0 FEADHO COCCC[N@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000369660388 556661901 /nfs/dbraw/zinc/66/19/01/556661901.db2.gz IMDMZYPEGAOXMG-LJQANCHMSA-N 1 3 362.518 2.043 20 0 FEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000370135752 556790414 /nfs/dbraw/zinc/79/04/14/556790414.db2.gz JLGRJZHZOMSJOZ-VAMGGRTRSA-N 1 3 373.545 2.466 20 0 FEADHO CN(C(=O)NCC1CCN(c2ccncc2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000516634393 562051926 /nfs/dbraw/zinc/05/19/26/562051926.db2.gz AVDWADHBSRPEAR-JJTKIYQPSA-N 1 3 357.502 2.222 20 0 FEADHO C[C@@H]1CCC[C@H](NC(=O)CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000371259654 557122289 /nfs/dbraw/zinc/12/22/89/557122289.db2.gz JBBSYWNCALOSPR-UMGGQSCQSA-N 1 3 364.578 2.028 20 0 FEADHO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000371320530 557144871 /nfs/dbraw/zinc/14/48/71/557144871.db2.gz FORFTNMYSOABRR-LSDHHAIUSA-N 1 3 364.534 2.196 20 0 FEADHO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371320530 557144873 /nfs/dbraw/zinc/14/48/73/557144873.db2.gz FORFTNMYSOABRR-LSDHHAIUSA-N 1 3 364.534 2.196 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000371722652 557274430 /nfs/dbraw/zinc/27/44/30/557274430.db2.gz GFHAAFPBSVHNSF-YLJYHZDGSA-N 1 3 374.529 2.232 20 0 FEADHO C[C@@H](C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000371948506 557336266 /nfs/dbraw/zinc/33/62/66/557336266.db2.gz PWFJKGWVYGXDHK-OTWHNJEPSA-N 1 3 364.578 2.124 20 0 FEADHO C[C@@H](C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000371948506 557336267 /nfs/dbraw/zinc/33/62/67/557336267.db2.gz PWFJKGWVYGXDHK-OTWHNJEPSA-N 1 3 364.578 2.124 20 0 FEADHO CSC1(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCN(C)CC1 ZINC000518998021 562123074 /nfs/dbraw/zinc/12/30/74/562123074.db2.gz CWCQNDGQSLKKEF-MRXNPFEDSA-N 1 3 371.616 2.148 20 0 FEADHO Cc1ccccc1NC(=O)[C@@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370076 557452659 /nfs/dbraw/zinc/45/26/59/557452659.db2.gz PGAGQJIHNNYZGH-IEBWSBKVSA-N 1 3 358.530 2.422 20 0 FEADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1n[nH]c2c1CNCC2 ZINC000372571097 557508108 /nfs/dbraw/zinc/50/81/08/557508108.db2.gz MOXYCPXQOPMBNX-UHFFFAOYSA-N 1 3 353.470 2.336 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000372974613 557600618 /nfs/dbraw/zinc/60/06/18/557600618.db2.gz AXNKETJUAOTRTK-RTBURBONSA-N 1 3 366.550 2.147 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CC4(CC4)C(=O)O3)CC2)C[C@@H](C)O1 ZINC000373034282 557614206 /nfs/dbraw/zinc/61/42/06/557614206.db2.gz IBJXXIBQBVHDJA-NUJGCVRESA-N 1 3 350.503 2.293 20 0 FEADHO CN1CC[C@@H](CNC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H]1c1cccnc1 ZINC000373495840 557704554 /nfs/dbraw/zinc/70/45/54/557704554.db2.gz FXTBWIXRZOAQCW-FVELJTHGSA-N 1 3 371.529 2.391 20 0 FEADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000520761754 562163006 /nfs/dbraw/zinc/16/30/06/562163006.db2.gz HLDAVZZOKVZFHL-YJBOKZPZSA-N 1 3 362.543 2.397 20 0 FEADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000520772175 562163389 /nfs/dbraw/zinc/16/33/89/562163389.db2.gz YAAKTRAFVBAQNQ-HOJAQTOUSA-N 1 3 356.514 2.437 20 0 FEADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000374191405 557841238 /nfs/dbraw/zinc/84/12/38/557841238.db2.gz AFQAQUFOUTYLIM-PZJWPPBQSA-N 1 3 358.530 2.492 20 0 FEADHO Cn1cc([C@H](N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc2)cn1 ZINC000374231425 557847898 /nfs/dbraw/zinc/84/78/98/557847898.db2.gz QYHYCYPJVRCCAI-PZJWPPBQSA-N 1 3 353.514 2.268 20 0 FEADHO COc1cccc(NC(=O)CCN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000374257066 557852479 /nfs/dbraw/zinc/85/24/79/557852479.db2.gz CBXDOYBIJZLADE-QGZVFWFLSA-N 1 3 374.529 2.124 20 0 FEADHO COc1cccc(NC(=O)CCN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000374257066 557852482 /nfs/dbraw/zinc/85/24/82/557852482.db2.gz CBXDOYBIJZLADE-QGZVFWFLSA-N 1 3 374.529 2.124 20 0 FEADHO COc1cccc(NC(=O)CCN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000374257066 557852485 /nfs/dbraw/zinc/85/24/85/557852485.db2.gz CBXDOYBIJZLADE-QGZVFWFLSA-N 1 3 374.529 2.124 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)CC1 ZINC000374556486 557899392 /nfs/dbraw/zinc/89/93/92/557899392.db2.gz MNVXIFYTUSWGCZ-QFIPXVFZSA-N 1 3 359.558 2.429 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@](CO)(c3ccccc3)C2)CC1 ZINC000374556486 557899393 /nfs/dbraw/zinc/89/93/93/557899393.db2.gz MNVXIFYTUSWGCZ-QFIPXVFZSA-N 1 3 359.558 2.429 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000374897438 557947807 /nfs/dbraw/zinc/94/78/07/557947807.db2.gz PWOQINYSYQKCGB-OAQYLSRUSA-N 1 3 358.530 2.097 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000375167073 557986453 /nfs/dbraw/zinc/98/64/53/557986453.db2.gz MDXLHTOLKUYQJT-INIZCTEOSA-N 1 3 357.502 2.097 20 0 FEADHO COc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c(C)c1OC ZINC000521512667 562177892 /nfs/dbraw/zinc/17/78/92/562177892.db2.gz ZKTQNAMGPFKEAN-QFBILLFUSA-N 1 3 361.530 2.470 20 0 FEADHO COc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c(C)c1OC ZINC000521512667 562177893 /nfs/dbraw/zinc/17/78/93/562177893.db2.gz ZKTQNAMGPFKEAN-QFBILLFUSA-N 1 3 361.530 2.470 20 0 FEADHO C[C@H](CNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)C[NH+](C)C ZINC000521416244 562175893 /nfs/dbraw/zinc/17/58/93/562175893.db2.gz KXQPYGGCGUZBJX-NVXWUHKLSA-N 1 3 353.457 2.458 20 0 FEADHO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000375819173 558084376 /nfs/dbraw/zinc/08/43/76/558084376.db2.gz XYWWESMOMFPQLS-HRAATJIYSA-N 1 3 353.514 2.396 20 0 FEADHO Cc1nc2ccccc2nc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000375819173 558084377 /nfs/dbraw/zinc/08/43/77/558084377.db2.gz XYWWESMOMFPQLS-HRAATJIYSA-N 1 3 353.514 2.396 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)cc2)CC1 ZINC000375974746 558108219 /nfs/dbraw/zinc/10/82/19/558108219.db2.gz NXAYSKFCUBSRDV-HXUWFJFHSA-N 1 3 357.498 2.118 20 0 FEADHO Cc1ccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c(OCCN(C)C)c1 ZINC000376177074 558137071 /nfs/dbraw/zinc/13/70/71/558137071.db2.gz FCKMPBHCNMNBSL-FUHWJXTLSA-N 1 3 360.502 2.493 20 0 FEADHO Cc1ccc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c(OCCN(C)C)c1 ZINC000376177074 558137073 /nfs/dbraw/zinc/13/70/73/558137073.db2.gz FCKMPBHCNMNBSL-FUHWJXTLSA-N 1 3 360.502 2.493 20 0 FEADHO C[C@@H]1CN(C[C@@H](O)Cc2cccc(Cl)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000376519646 558184821 /nfs/dbraw/zinc/18/48/21/558184821.db2.gz REFRTBSHWBDXHE-LSTHTHJFSA-N 1 3 365.949 2.201 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000376644869 558202502 /nfs/dbraw/zinc/20/25/02/558202502.db2.gz JICBJONMNTYDPJ-DFNIBXOVSA-N 1 3 366.550 2.142 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000376644869 558202503 /nfs/dbraw/zinc/20/25/03/558202503.db2.gz JICBJONMNTYDPJ-DFNIBXOVSA-N 1 3 366.550 2.142 20 0 FEADHO CC[C@@H]1C[C@@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000376865736 558231483 /nfs/dbraw/zinc/23/14/83/558231483.db2.gz AILDXTCSUBPGSS-QFBILLFUSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000521986978 562188129 /nfs/dbraw/zinc/18/81/29/562188129.db2.gz ZBCXHGDMHUXSLX-HKUYMTLNSA-N 1 3 356.514 2.337 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000521986977 562188180 /nfs/dbraw/zinc/18/81/80/562188180.db2.gz ZBCXHGDMHUXSLX-DABHTEOTSA-N 1 3 356.514 2.337 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000377539504 558360310 /nfs/dbraw/zinc/36/03/10/558360310.db2.gz GDQZRWBFVQHJQU-FQEVSTJZSA-N 1 3 359.514 2.126 20 0 FEADHO CN1CC[C@H]2CCN(C(=O)NCc3ccc(OCCC[NH+](C)C)cc3)C[C@@H]21 ZINC000378448580 558560251 /nfs/dbraw/zinc/56/02/51/558560251.db2.gz CPZLXCPQWKAUBK-ICSRJNTNSA-N 1 3 374.529 2.253 20 0 FEADHO C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCC(C[NH+](C)C)CC2)CC1 ZINC000524370918 562227604 /nfs/dbraw/zinc/22/76/04/562227604.db2.gz KCEGYOMQQQAVCI-IBGZPJMESA-N 1 3 372.557 2.165 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCC1CCOCC1 ZINC000409618035 558708251 /nfs/dbraw/zinc/70/82/51/558708251.db2.gz NPAVZNIBUKHVAT-IBGZPJMESA-N 1 3 353.551 2.458 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCC1CCOCC1 ZINC000409618035 558708252 /nfs/dbraw/zinc/70/82/52/558708252.db2.gz NPAVZNIBUKHVAT-IBGZPJMESA-N 1 3 353.551 2.458 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)ccc1C[NH+](C)C ZINC000411139232 558843895 /nfs/dbraw/zinc/84/38/95/558843895.db2.gz VZAJGUIJHXDKCL-RDJZCZTQSA-N 1 3 374.529 2.232 20 0 FEADHO Cc1cc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)ccc1C[NH+](C)C ZINC000411169322 558847804 /nfs/dbraw/zinc/84/78/04/558847804.db2.gz CXUICQSCKZWKFW-IBGZPJMESA-N 1 3 372.513 2.082 20 0 FEADHO CCC1(CC)[C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)[C@H]1OC ZINC000411638391 558933541 /nfs/dbraw/zinc/93/35/41/558933541.db2.gz ZXECEKABGAAQDF-KFKAGJAMSA-N 1 3 353.551 2.405 20 0 FEADHO CCC1(CC)[C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)[C@H]1OC ZINC000411638387 558933709 /nfs/dbraw/zinc/93/37/09/558933709.db2.gz ZXECEKABGAAQDF-ATZDWAIDSA-N 1 3 353.551 2.405 20 0 FEADHO CC(C)Cn1ncc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1C(F)F ZINC000525890389 562258741 /nfs/dbraw/zinc/25/87/41/562258741.db2.gz LBIZZLXBFKPENV-UHFFFAOYSA-N 1 3 374.480 2.434 20 0 FEADHO COC(=O)[C@@]1(C)CCCN(CC(C)C[N@@H+]2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412072727 559009657 /nfs/dbraw/zinc/00/96/57/559009657.db2.gz PVLQMKFNKHAVMO-PMACEKPBSA-N 1 3 368.518 2.173 20 0 FEADHO COC(=O)[C@@]1(C)CCCN(CC(C)C[N@H+]2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412072727 559009659 /nfs/dbraw/zinc/00/96/59/559009659.db2.gz PVLQMKFNKHAVMO-PMACEKPBSA-N 1 3 368.518 2.173 20 0 FEADHO Cn1cc(-c2ncc(C[NH2+]CC3CCN(c4ccncc4)CC3)cn2)cn1 ZINC000525990450 562262603 /nfs/dbraw/zinc/26/26/03/562262603.db2.gz OBJGGGXKJMHNEH-UHFFFAOYSA-N 1 3 363.469 2.278 20 0 FEADHO O=C(N[C@@H]1CCCN(CCCO)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412374133 559031745 /nfs/dbraw/zinc/03/17/45/559031745.db2.gz NLEZZKAPWAGYCJ-HXUWFJFHSA-N 1 3 359.514 2.249 20 0 FEADHO CN1CCC(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)(N2CCOCC2)CC1 ZINC000414184970 559151891 /nfs/dbraw/zinc/15/18/91/559151891.db2.gz GERHTPQISCQIIJ-FPOVZHCZSA-N 1 3 372.557 2.494 20 0 FEADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@]1(C)CCCO1 ZINC000414347634 559157676 /nfs/dbraw/zinc/15/76/76/559157676.db2.gz WTLCVFRIVAAQPK-IERDGZPVSA-N 1 3 359.514 2.431 20 0 FEADHO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3c(c2)CNCC3)CCCCCC1 ZINC000414657326 559177547 /nfs/dbraw/zinc/17/75/47/559177547.db2.gz HQJBAUBIGCXDEH-UHFFFAOYSA-N 1 3 372.513 2.042 20 0 FEADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCC2)CC(C)C ZINC000414681590 559179344 /nfs/dbraw/zinc/17/93/44/559179344.db2.gz PMXVEDWISHMYIX-LJQANCHMSA-N 1 3 374.529 2.144 20 0 FEADHO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNC2)[NH+]1CCCC1 ZINC000414683749 559179596 /nfs/dbraw/zinc/17/95/96/559179596.db2.gz ULZKKFOVCSLHFV-IBGZPJMESA-N 1 3 372.513 2.245 20 0 FEADHO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)C12CCCCC2 ZINC000414694260 559180441 /nfs/dbraw/zinc/18/04/41/559180441.db2.gz FMKIQLLCRKDWOK-KZNAEPCWSA-N 1 3 351.535 2.243 20 0 FEADHO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)C12CCCCC2 ZINC000414694260 559180443 /nfs/dbraw/zinc/18/04/43/559180443.db2.gz FMKIQLLCRKDWOK-KZNAEPCWSA-N 1 3 351.535 2.243 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(Oc3ccccc3Cl)CC2)C1 ZINC000414728084 559182807 /nfs/dbraw/zinc/18/28/07/559182807.db2.gz BZDZSDRCLDSVJY-HNNXBMFYSA-N 1 3 365.905 2.381 20 0 FEADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414740014 559183897 /nfs/dbraw/zinc/18/38/97/559183897.db2.gz CWEBCOYKMYUNLO-QXSJWSMHSA-N 1 3 360.502 2.127 20 0 FEADHO C[C@@H]1C[C@H](CN2CCN(Cc3nc(-c4cccs4)no3)CC2)CC[NH2+]1 ZINC000414746430 559184463 /nfs/dbraw/zinc/18/44/63/559184463.db2.gz ZAHXSTQFGFPPEX-HUUCEWRRSA-N 1 3 361.515 2.304 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1 ZINC000414756560 559185304 /nfs/dbraw/zinc/18/53/04/559185304.db2.gz QXNJMNSBQMLXRH-YESZJQIVSA-N 1 3 374.529 2.217 20 0 FEADHO C[C@@H]1C[C@@H](CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC[NH2+]1 ZINC000414762682 559186078 /nfs/dbraw/zinc/18/60/78/559186078.db2.gz WLBOQFKBCYBFHG-NEPJUHHUSA-N 1 3 363.453 2.457 20 0 FEADHO COc1cccc(C2(F)CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)c1 ZINC000414768660 559186508 /nfs/dbraw/zinc/18/65/08/559186508.db2.gz VKPLCVYKYWVNAL-MRXNPFEDSA-N 1 3 363.477 2.153 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000414909064 559194627 /nfs/dbraw/zinc/19/46/27/559194627.db2.gz BVSQWHKCADNKLZ-UHFFFAOYSA-N 1 3 372.513 2.258 20 0 FEADHO COCC1(CNCc2cn(-c3ccc(F)c(Cl)c3)nn2)CC[NH2+]CC1 ZINC000414971881 559198002 /nfs/dbraw/zinc/19/80/02/559198002.db2.gz JLBGPVJXRLTAQI-UHFFFAOYSA-N 1 3 367.856 2.166 20 0 FEADHO O=C1CC[C@@H](NCc2ccc(OCC3CC3)cc2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414981337 559198569 /nfs/dbraw/zinc/19/85/69/559198569.db2.gz BIDXEQQSMDLNBD-CTNGQTDRSA-N 1 3 357.498 2.212 20 0 FEADHO O=C1CC[C@@H](NCc2ccc(C(F)(F)F)cc2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414987065 559199128 /nfs/dbraw/zinc/19/91/28/559199128.db2.gz JWMFKGIZUJFFLV-WBVHZDCISA-N 1 3 355.404 2.442 20 0 FEADHO FC(F)(F)[C@H](CNCc1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000414994534 559199460 /nfs/dbraw/zinc/19/94/60/559199460.db2.gz VKUBCDXLXSNDBK-ZDUSSCGKSA-N 1 3 366.225 2.375 20 0 FEADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H]1CCCCNC1 ZINC000415065967 559203593 /nfs/dbraw/zinc/20/35/93/559203593.db2.gz IBSVDKJFHBPSBX-KSSFIOAISA-N 1 3 358.486 2.484 20 0 FEADHO C[C@@]1(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)CC[NH2+]C1 ZINC000415106841 559205590 /nfs/dbraw/zinc/20/55/90/559205590.db2.gz NKHUHXZHCVCUHA-NSISKUIASA-N 1 3 353.470 2.485 20 0 FEADHO CCN(CCN1CCCCCC1)C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415223236 559216125 /nfs/dbraw/zinc/21/61/25/559216125.db2.gz RECJNSCTORAELZ-UHFFFAOYSA-N 1 3 360.502 2.069 20 0 FEADHO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415416658 559233403 /nfs/dbraw/zinc/23/34/03/559233403.db2.gz UAEMPPYXSRYVOY-KRWDZBQOSA-N 1 3 372.513 2.117 20 0 FEADHO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C[C@@H]1C[NH3+] ZINC000415834435 559276756 /nfs/dbraw/zinc/27/67/56/559276756.db2.gz ANMCXYYRRFWSOA-AEFFLSMTSA-N 1 3 372.513 2.054 20 0 FEADHO C[NH2+]Cc1cccc(NC(=O)Nc2ccc(OC[C@@H](O)CN(C)C)cc2)c1 ZINC000415916416 559282657 /nfs/dbraw/zinc/28/26/57/559282657.db2.gz HJCOFYUEKNXPEL-SFHVURJKSA-N 1 3 372.469 2.351 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000415997443 559288215 /nfs/dbraw/zinc/28/82/15/559288215.db2.gz ROXZFXGUGQPSIA-OAHLLOKOSA-N 1 3 358.408 2.184 20 0 FEADHO [NH3+]CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000416830701 559334393 /nfs/dbraw/zinc/33/43/93/559334393.db2.gz AJWZNISULZVQOH-NRFANRHFSA-N 1 3 366.509 2.474 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]([NH3+])C(C)C)c1cccc(OC)c1 ZINC000416905916 559337463 /nfs/dbraw/zinc/33/74/63/559337463.db2.gz GTFHYRRZHDBLLK-ROUUACIJSA-N 1 3 350.507 2.361 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)c1cccc(OC)c1 ZINC000416918724 559338326 /nfs/dbraw/zinc/33/83/26/559338326.db2.gz JEOWNDAIPRBADX-UYAOXDASSA-N 1 3 362.518 2.458 20 0 FEADHO CC[NH2+]CC1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)CC1 ZINC000416979346 559341603 /nfs/dbraw/zinc/34/16/03/559341603.db2.gz XBEXNWGZTWAQDU-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417022476 559344361 /nfs/dbraw/zinc/34/43/61/559344361.db2.gz KVWRYQZUBOSRCC-PZJWPPBQSA-N 1 3 370.541 2.466 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417176083 559351477 /nfs/dbraw/zinc/35/14/77/559351477.db2.gz BTRWIEBYQZCXRZ-WOJBJXKFSA-N 1 3 358.530 2.190 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC000417335555 559358102 /nfs/dbraw/zinc/35/81/02/559358102.db2.gz SVAQQMYPFWJKCZ-IBGZPJMESA-N 1 3 374.529 2.430 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000417359899 559359148 /nfs/dbraw/zinc/35/91/48/559359148.db2.gz JENJRCJKPAHSAY-UHFFFAOYSA-N 1 3 362.518 2.478 20 0 FEADHO O=C(NCC[C@H]1CCC[NH2+]1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417360554 559359154 /nfs/dbraw/zinc/35/91/54/559359154.db2.gz IFBBUQDZXQHYJO-HZPDHXFCSA-N 1 3 350.532 2.401 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000417489810 559364226 /nfs/dbraw/zinc/36/42/26/559364226.db2.gz GFBRSBHCGFCVBV-ZCNNSNEGSA-N 1 3 374.529 2.089 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(OCCN3CCCC3)cc2)CC[NH2+]1 ZINC000417597989 559368775 /nfs/dbraw/zinc/36/87/75/559368775.db2.gz WMXKCPYJSWLUCF-SJLPKXTDSA-N 1 3 360.502 2.101 20 0 FEADHO COc1cc(NC(=O)N(CCN(C)C)C(C)C)ccc1OCC[NH+](C)C ZINC000417675181 559371794 /nfs/dbraw/zinc/37/17/94/559371794.db2.gz BJUUYGZFSRMUFQ-UHFFFAOYSA-N 1 3 366.506 2.440 20 0 FEADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000417676921 559371870 /nfs/dbraw/zinc/37/18/70/559371870.db2.gz FGTKCAWDKREFNT-QRQLOZEOSA-N 1 3 356.514 2.463 20 0 FEADHO COc1cc(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)ccc1OCCN(C)C ZINC000417685338 559372271 /nfs/dbraw/zinc/37/22/71/559372271.db2.gz PAMAJYPMVGTHJK-OAHLLOKOSA-N 1 3 366.506 2.486 20 0 FEADHO COc1cc(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)ccc1OCCN(C)C ZINC000417685338 559372272 /nfs/dbraw/zinc/37/22/72/559372272.db2.gz PAMAJYPMVGTHJK-OAHLLOKOSA-N 1 3 366.506 2.486 20 0 FEADHO CN(CC[NH3+])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418150164 559391985 /nfs/dbraw/zinc/39/19/85/559391985.db2.gz CNDXIFUVTFIMIS-VQTJNVASSA-N 1 3 352.482 2.255 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CCNC(C)(C)C2)[NH+](C)C)cc1 ZINC000418203761 559393860 /nfs/dbraw/zinc/39/38/60/559393860.db2.gz KOPWKXNZPCIEIF-SFHVURJKSA-N 1 3 362.518 2.470 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[NH2+]C(C)(C)C2)N(C)C)cc1 ZINC000418203761 559393861 /nfs/dbraw/zinc/39/38/61/559393861.db2.gz KOPWKXNZPCIEIF-SFHVURJKSA-N 1 3 362.518 2.470 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2CCC(C[NH3+])CC2)N(C)C)cc1 ZINC000418203174 559393865 /nfs/dbraw/zinc/39/38/65/559393865.db2.gz KAAHTJRTUNMMEH-LJQANCHMSA-N 1 3 362.518 2.457 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)N(C)C)cc1 ZINC000418208543 559394125 /nfs/dbraw/zinc/39/41/25/559394125.db2.gz QQHRAHVVRIYKOU-LZQZEXGQSA-N 1 3 362.518 2.455 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)N(C)C)cc1 ZINC000418228593 559394672 /nfs/dbraw/zinc/39/46/72/559394672.db2.gz DZEAHAZKUBGBDK-JQFCIGGWSA-N 1 3 350.532 2.308 20 0 FEADHO CC[NH+](CC)CC1CCN(C(=O)NCCCNCc2cccnc2)CC1 ZINC000418327985 559397661 /nfs/dbraw/zinc/39/76/61/559397661.db2.gz NEUUUZCALRGMQY-UHFFFAOYSA-N 1 3 361.534 2.325 20 0 FEADHO N[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000418460174 559402702 /nfs/dbraw/zinc/40/27/02/559402702.db2.gz ZXCXYLYRYPIPIE-ATZDWAIDSA-N 1 3 374.435 2.410 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418518214 559404661 /nfs/dbraw/zinc/40/46/61/559404661.db2.gz MICZPGBAWUPLAT-UHFFFAOYSA-N 1 3 350.482 2.289 20 0 FEADHO O=C(NCc1ccc2c(c1)CNC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000418548135 559405664 /nfs/dbraw/zinc/40/56/64/559405664.db2.gz CMMRXUHJLWPLTJ-YLJYHZDGSA-N 1 3 354.498 2.448 20 0 FEADHO O=C(NCc1ccc2c(c1)CNC2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000418548135 559405665 /nfs/dbraw/zinc/40/56/65/559405665.db2.gz CMMRXUHJLWPLTJ-YLJYHZDGSA-N 1 3 354.498 2.448 20 0 FEADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418567187 559406582 /nfs/dbraw/zinc/40/65/82/559406582.db2.gz GHRDSFLAPNXLDP-GUYCJALGSA-N 1 3 354.445 2.036 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC[NH2+]1 ZINC000418600451 559407399 /nfs/dbraw/zinc/40/73/99/559407399.db2.gz KVNHRARKTXTOAD-HIFRSBDPSA-N 1 3 354.445 2.179 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418618065 559408149 /nfs/dbraw/zinc/40/81/49/559408149.db2.gz IVBHBTQBJAXARR-SFHVURJKSA-N 1 3 350.482 2.416 20 0 FEADHO [NH3+]C1(CNC(=O)NC[C@H]2NCCc3ccccc32)C2CC3CC(C2)CC1C3 ZINC000418637691 559408895 /nfs/dbraw/zinc/40/88/95/559408895.db2.gz NVYPUXSTLFLWKE-FOQJIBBJSA-N 1 3 368.525 2.326 20 0 FEADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)C[C@@H](C)C1 ZINC000418639941 559408941 /nfs/dbraw/zinc/40/89/41/559408941.db2.gz QGPCONCFEWFEGT-FVCZOJIISA-N 1 3 356.514 2.245 20 0 FEADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)C[C@@H](C)C1 ZINC000418639941 559408942 /nfs/dbraw/zinc/40/89/42/559408942.db2.gz QGPCONCFEWFEGT-FVCZOJIISA-N 1 3 356.514 2.245 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)o1 ZINC000418638814 559408988 /nfs/dbraw/zinc/40/89/88/559408988.db2.gz KYDKYRKSYBKVTR-KRWDZBQOSA-N 1 3 350.507 2.439 20 0 FEADHO C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@H]3NCCc4ccccc43)C2)CC1 ZINC000418648409 559409284 /nfs/dbraw/zinc/40/92/84/559409284.db2.gz ZICANHXTKOMKFL-UYAOXDASSA-N 1 3 356.514 2.247 20 0 FEADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000418648675 559409514 /nfs/dbraw/zinc/40/95/14/559409514.db2.gz ICJLOKVMRDSFEA-HXUWFJFHSA-N 1 3 374.529 2.003 20 0 FEADHO [NH3+]CCC[C@@H](NC(=O)N1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC000418683851 559411103 /nfs/dbraw/zinc/41/11/03/559411103.db2.gz XNJZOGBRFBYWNN-HXUWFJFHSA-N 1 3 374.529 2.220 20 0 FEADHO C[C@H](CCC[NH3+])NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418681394 559411114 /nfs/dbraw/zinc/41/11/14/559411114.db2.gz DEYKATVIRTXTDP-BRWVUGGUSA-N 1 3 354.539 2.035 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000418730491 559412850 /nfs/dbraw/zinc/41/28/50/559412850.db2.gz SJSRQJCQILWODR-UKBAYJJMSA-N 1 3 366.550 2.035 20 0 FEADHO CN(C)C[C@@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1 ZINC000418774859 559415400 /nfs/dbraw/zinc/41/54/00/559415400.db2.gz WBJVGVUYJZQRPX-KGLIPLIRSA-N 1 3 360.836 2.239 20 0 FEADHO COCCCCN(C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000419381930 559440288 /nfs/dbraw/zinc/44/02/88/559440288.db2.gz HQTMJKPHYAWION-UHFFFAOYSA-N 1 3 361.530 2.434 20 0 FEADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(N(C)C)n1C ZINC000419826237 559461336 /nfs/dbraw/zinc/46/13/36/559461336.db2.gz WHQKRYJPAPMSDC-UYAOXDASSA-N 1 3 371.529 2.113 20 0 FEADHO CCc1ccccc1NC(=O)CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420303837 559479387 /nfs/dbraw/zinc/47/93/87/559479387.db2.gz NQQKZDKXPAQWIY-GOSISDBHSA-N 1 3 358.530 2.195 20 0 FEADHO CC(=O)c1ccc(NC(=O)CCN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000420319500 559480186 /nfs/dbraw/zinc/48/01/86/559480186.db2.gz AGQOOZDYAILENN-QUCCMNQESA-N 1 3 359.470 2.046 20 0 FEADHO CCOCc1ccc(CNC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420321568 559480374 /nfs/dbraw/zinc/48/03/74/559480374.db2.gz CVTXBVNKKQQTPI-PMACEKPBSA-N 1 3 359.514 2.161 20 0 FEADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420328055 559480792 /nfs/dbraw/zinc/48/07/92/559480792.db2.gz HCHQWFDDZMLJQP-AHRSYUTCSA-N 1 3 359.514 2.170 20 0 FEADHO CC(=O)c1ccc(NC(=O)CCN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000420377033 559483992 /nfs/dbraw/zinc/48/39/92/559483992.db2.gz KNGJFYDHBUCGMJ-CTNGQTDRSA-N 1 3 373.497 2.436 20 0 FEADHO CCc1ccc(CCN2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420409843 559486316 /nfs/dbraw/zinc/48/63/16/559486316.db2.gz WGKOOBJJYHSJEG-VQTJNVASSA-N 1 3 356.514 2.012 20 0 FEADHO CN(C[C@@H]1CCCN1C)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000420791342 559504736 /nfs/dbraw/zinc/50/47/36/559504736.db2.gz OJYOTRUGRSPENS-IBGZPJMESA-N 1 3 374.529 2.397 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3cccc(C(=O)N(C)C)c3)CC2)CC1 ZINC000420984107 559517086 /nfs/dbraw/zinc/51/70/86/559517086.db2.gz SHFSKDWPZHHGNG-UHFFFAOYSA-N 1 3 372.557 2.380 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)NCC3CCCCC3)CC2)CC1 ZINC000421017072 559519642 /nfs/dbraw/zinc/51/96/42/559519642.db2.gz VLVYWWBKGYKKBL-UHFFFAOYSA-N 1 3 364.578 2.175 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)NCC3CCCCC3)CC2)CC1 ZINC000421017072 559519643 /nfs/dbraw/zinc/51/96/43/559519643.db2.gz VLVYWWBKGYKKBL-UHFFFAOYSA-N 1 3 364.578 2.175 20 0 FEADHO CN(C[C@@H]1CCCN1C)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000422606520 559597384 /nfs/dbraw/zinc/59/73/84/559597384.db2.gz JCDAMAYLGKDYRF-MPGHIAIKSA-N 1 3 366.456 2.146 20 0 FEADHO FC(F)(F)c1ccc(NCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000422825916 559607482 /nfs/dbraw/zinc/60/74/82/559607482.db2.gz BCCIGAPEKMCJGE-BZUAXINKSA-N 1 3 372.435 2.649 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3CN)CC2)cc1 ZINC000422824774 559607519 /nfs/dbraw/zinc/60/75/19/559607519.db2.gz OJZLZWOWQQXXQN-DNVCBOLYSA-N 1 3 365.543 2.166 20 0 FEADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422831589 559607884 /nfs/dbraw/zinc/60/78/84/559607884.db2.gz WTKWLJJHKKYZCF-MRVWCRGKSA-N 1 3 355.866 2.019 20 0 FEADHO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000422831589 559607885 /nfs/dbraw/zinc/60/78/85/559607885.db2.gz WTKWLJJHKKYZCF-MRVWCRGKSA-N 1 3 355.866 2.019 20 0 FEADHO CN1CCN(c2cc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)ccn2)CC1 ZINC000422879339 559609738 /nfs/dbraw/zinc/60/97/38/559609738.db2.gz KGQNWFVHXBGKPT-HSALFYBXSA-N 1 3 357.546 2.234 20 0 FEADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422912020 559610923 /nfs/dbraw/zinc/61/09/23/559610923.db2.gz MDGBIBLOQYLBRG-QUCCMNQESA-N 1 3 358.530 2.093 20 0 FEADHO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000422910056 559611044 /nfs/dbraw/zinc/61/10/44/559611044.db2.gz POXRLKSXLFPXEG-DGDSNLKDSA-N 1 3 357.498 2.065 20 0 FEADHO C[C@H](C[C@H](C)N)[NH2+]CCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000423010013 559614886 /nfs/dbraw/zinc/61/48/86/559614886.db2.gz FMWYISCSHPRVRT-UONOGXRCSA-N 1 3 357.495 2.084 20 0 FEADHO C[C@H](C[C@H](C)[NH3+])NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000423010013 559614887 /nfs/dbraw/zinc/61/48/87/559614887.db2.gz FMWYISCSHPRVRT-UONOGXRCSA-N 1 3 357.495 2.084 20 0 FEADHO C[C@H](NC[C@H](CO)Cc1cc(F)cc(Br)c1)[C@H]1CC[NH2+]C1 ZINC000423166071 559621638 /nfs/dbraw/zinc/62/16/38/559621638.db2.gz CDPLJUWFJGRZLW-YUTCNCBUSA-N 1 3 359.283 2.327 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3CCC[NH2+][C@H]3C)CC2)cc1 ZINC000423365911 559626911 /nfs/dbraw/zinc/62/69/11/559626911.db2.gz WXCANFZXCRVEGD-JXFKEZNVSA-N 1 3 359.514 2.412 20 0 FEADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000423426591 559628870 /nfs/dbraw/zinc/62/88/70/559628870.db2.gz PPNPMDBBNYYRIN-HNAYVOBHSA-N 1 3 363.477 2.173 20 0 FEADHO CN(C)C[C@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccc(Cl)cc1 ZINC000423782283 559639191 /nfs/dbraw/zinc/63/91/91/559639191.db2.gz YUDSXCIVZMKPKG-GUYCJALGSA-N 1 3 361.877 2.173 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000423838466 559641961 /nfs/dbraw/zinc/64/19/61/559641961.db2.gz CGDBLZVHBCJEAW-OXQOHEQNSA-N 1 3 352.482 2.466 20 0 FEADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@@H]3CSCC[NH2+]3)c2)CC1 ZINC000423855397 559643113 /nfs/dbraw/zinc/64/31/13/559643113.db2.gz WRDSZFLIGNJTLI-QGZVFWFLSA-N 1 3 362.543 2.251 20 0 FEADHO N[C@H](CC(F)F)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423909698 559645164 /nfs/dbraw/zinc/64/51/64/559645164.db2.gz UIINMYONHMOUOC-BBWFWOEESA-N 1 3 351.441 2.482 20 0 FEADHO N[C@H](CC(F)F)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423909698 559645165 /nfs/dbraw/zinc/64/51/65/559645165.db2.gz UIINMYONHMOUOC-BBWFWOEESA-N 1 3 351.441 2.482 20 0 FEADHO C[C@@H]1C[C@@H](CCNC(=O)C[C@H]2CSCCN2)C[N@@H+]1Cc1ccccc1 ZINC000423913608 559645257 /nfs/dbraw/zinc/64/52/57/559645257.db2.gz XEPZSCIQVMTEFB-QRQLOZEOSA-N 1 3 361.555 2.498 20 0 FEADHO C[C@@H]1C[C@@H](CCNC(=O)C[C@H]2CSCCN2)C[N@H+]1Cc1ccccc1 ZINC000423913608 559645258 /nfs/dbraw/zinc/64/52/58/559645258.db2.gz XEPZSCIQVMTEFB-QRQLOZEOSA-N 1 3 361.555 2.498 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C[NH3+])C3CCCC3)cc2)CC1 ZINC000423971306 559648621 /nfs/dbraw/zinc/64/86/21/559648621.db2.gz YJOSCXOBICYLBK-FQEVSTJZSA-N 1 3 358.530 2.464 20 0 FEADHO CN(Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000423991697 559649371 /nfs/dbraw/zinc/64/93/71/559649371.db2.gz MUVJEVGKFPDWJB-FQEVSTJZSA-N 1 3 353.466 2.037 20 0 FEADHO COc1ccc(Cl)cc1CNC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302062 559661094 /nfs/dbraw/zinc/66/10/94/559661094.db2.gz YVMLTCHVPOYQQQ-AWEZNQCLSA-N 1 3 365.905 2.429 20 0 FEADHO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424481818 559666922 /nfs/dbraw/zinc/66/69/22/559666922.db2.gz RZYZFBOGAQUKRN-UWHLTILDSA-N 1 3 368.525 2.290 20 0 FEADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430589575 559823759 /nfs/dbraw/zinc/82/37/59/559823759.db2.gz FAOJBVSSWGIYTL-QFBILLFUSA-N 1 3 362.493 2.066 20 0 FEADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430589575 559823760 /nfs/dbraw/zinc/82/37/60/559823760.db2.gz FAOJBVSSWGIYTL-QFBILLFUSA-N 1 3 362.493 2.066 20 0 FEADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000430704649 559826677 /nfs/dbraw/zinc/82/66/77/559826677.db2.gz IVFRBQAZSXNPLB-UNMCSNQZSA-N 1 3 371.525 2.270 20 0 FEADHO O=C(CNC[C@@H]1CCCO1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000430704649 559826678 /nfs/dbraw/zinc/82/66/78/559826678.db2.gz IVFRBQAZSXNPLB-UNMCSNQZSA-N 1 3 371.525 2.270 20 0 FEADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC1 ZINC000430917384 559830336 /nfs/dbraw/zinc/83/03/36/559830336.db2.gz CUQYUPWAEICASK-CYBMUJFWSA-N 1 3 355.429 2.306 20 0 FEADHO CN1CCN(CCCNC(=O)C2(C[NH3+])CCCC2)[C@@H](c2ccccc2)C1 ZINC000431023328 559832515 /nfs/dbraw/zinc/83/25/15/559832515.db2.gz QUJJDLNAPXGBEL-LJQANCHMSA-N 1 3 358.530 2.001 20 0 FEADHO COCC[C@@]1(C(=O)NCC2CCN(Cc3cccs3)CC2)CC[NH2+]C1 ZINC000431066084 559833268 /nfs/dbraw/zinc/83/32/68/559833268.db2.gz QWABRNUVKZTDTC-IBGZPJMESA-N 1 3 365.543 2.093 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000431651257 559843350 /nfs/dbraw/zinc/84/33/50/559843350.db2.gz ZAHBQFUEWLIXHL-LJQANCHMSA-N 1 3 370.607 2.481 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NCCNc2cc[nH+]cc2)CCN1Cc1ccccc1 ZINC000431693223 559844288 /nfs/dbraw/zinc/84/42/88/559844288.db2.gz RWAOYIWZQOWCNN-YLJYHZDGSA-N 1 3 367.497 2.268 20 0 FEADHO CCN1CCN(C[C@@H](C)CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431853641 559847401 /nfs/dbraw/zinc/84/74/01/559847401.db2.gz JRTIHOBGCJZXEZ-ICSRJNTNSA-N 1 3 360.546 2.069 20 0 FEADHO C[C@@H](c1cccc(NC(=O)CCCN2CCC([NH3+])CC2)c1)N1CCOCC1 ZINC000433123082 559872505 /nfs/dbraw/zinc/87/25/05/559872505.db2.gz XYIGEJJCGJOZDX-KRWDZBQOSA-N 1 3 374.529 2.222 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCCO1 ZINC000433291778 559876073 /nfs/dbraw/zinc/87/60/73/559876073.db2.gz XCNHSHKOSYUGAF-OAHLLOKOSA-N 1 3 354.539 2.096 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000433340391 559877365 /nfs/dbraw/zinc/87/73/65/559877365.db2.gz BHZKPXXAINSDSY-UHFFFAOYSA-N 1 3 353.532 2.149 20 0 FEADHO CCN1CCN(CCCCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000433350752 559878016 /nfs/dbraw/zinc/87/80/16/559878016.db2.gz COBUTMXUVRBJDV-FQEVSTJZSA-N 1 3 360.546 2.213 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000438780039 559983721 /nfs/dbraw/zinc/98/37/21/559983721.db2.gz QCGJAWFRRHVDJX-INIZCTEOSA-N 1 3 374.529 2.184 20 0 FEADHO COc1cc(NC(C)=O)ccc1[C@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000438973773 559986465 /nfs/dbraw/zinc/98/64/65/559986465.db2.gz AMTRBBRFFIEZMW-HNNXBMFYSA-N 1 3 362.518 2.330 20 0 FEADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(N2CCCC2=O)c1 ZINC000442873705 560060529 /nfs/dbraw/zinc/06/05/29/560060529.db2.gz LDKULKRKMOJNCR-QGZVFWFLSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@H]1CC(F)(F)CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000527723467 562301514 /nfs/dbraw/zinc/30/15/14/562301514.db2.gz AFDKOAWRNSDCSX-AWEZNQCLSA-N 1 3 358.477 2.374 20 0 FEADHO CC1(C)CCC[N@H+](CCNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000444626954 560117025 /nfs/dbraw/zinc/11/70/25/560117025.db2.gz BPKYDXXRPCAOLZ-UHFFFAOYSA-N 1 3 372.557 2.437 20 0 FEADHO CC1(C)CCC[N@@H+](CCNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000444626954 560117026 /nfs/dbraw/zinc/11/70/26/560117026.db2.gz BPKYDXXRPCAOLZ-UHFFFAOYSA-N 1 3 372.557 2.437 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000444986738 560126042 /nfs/dbraw/zinc/12/60/42/560126042.db2.gz NFQOCXKBJFTAMX-UHFFFAOYSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446180156 560141256 /nfs/dbraw/zinc/14/12/56/560141256.db2.gz SYYGAJJWEPQIHQ-KRWDZBQOSA-N 1 3 374.529 2.110 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000446265162 560143145 /nfs/dbraw/zinc/14/31/45/560143145.db2.gz NYXBJICQSXCLJE-KNKQGSTJSA-N 1 3 371.525 2.431 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000446370983 560145070 /nfs/dbraw/zinc/14/50/70/560145070.db2.gz NQZGZWNHMGWCSL-UEXGIBASSA-N 1 3 363.546 2.432 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000446467891 560146353 /nfs/dbraw/zinc/14/63/53/560146353.db2.gz ZYOFETDTPKHYOG-UHFFFAOYSA-N 1 3 370.541 2.433 20 0 FEADHO COCCOc1cc2c(cc1CNCC1CC[NH+](C3CC3)CC1)OCO2 ZINC000446884647 560153044 /nfs/dbraw/zinc/15/30/44/560153044.db2.gz PWDJPQZNUKRDOR-UHFFFAOYSA-N 1 3 362.470 2.405 20 0 FEADHO CN(C)[C@]1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCSC1 ZINC000448216195 560180633 /nfs/dbraw/zinc/18/06/33/560180633.db2.gz AKOXOKIBDZCLTC-AYBZRNKSSA-N 1 3 366.575 2.082 20 0 FEADHO CN(C)[C@]1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCSC1 ZINC000448216195 560180634 /nfs/dbraw/zinc/18/06/34/560180634.db2.gz AKOXOKIBDZCLTC-AYBZRNKSSA-N 1 3 366.575 2.082 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449079969 560215079 /nfs/dbraw/zinc/21/50/79/560215079.db2.gz ROTQWQHDQHMANH-INIZCTEOSA-N 1 3 359.493 2.342 20 0 FEADHO C[C@@H](Cc1coc2ccccc12)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000449150850 560218241 /nfs/dbraw/zinc/21/82/41/560218241.db2.gz UESNKLISLAAXSY-SFHVURJKSA-N 1 3 359.514 2.344 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCOC[C@@H]2OC)CC1 ZINC000449461845 560231054 /nfs/dbraw/zinc/23/10/54/560231054.db2.gz UAUAXUVEMYRSPG-CTNGQTDRSA-N 1 3 361.530 2.360 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)C12CCC2 ZINC000451482485 560309708 /nfs/dbraw/zinc/30/97/08/560309708.db2.gz UKPHAOYITABOSG-GBESFXJTSA-N 1 3 359.514 2.343 20 0 FEADHO Cc1nccn1CCCN1CC[N@H+](CCCn2ccnc2C)CC(C)C1 ZINC000451887445 560334721 /nfs/dbraw/zinc/33/47/21/560334721.db2.gz GDFBSIQAXQIPSQ-UHFFFAOYSA-N 1 3 358.534 2.431 20 0 FEADHO Cc1nccn1CCCN1CC[N@@H+](CCCn2ccnc2C)CC(C)C1 ZINC000451887445 560334722 /nfs/dbraw/zinc/33/47/22/560334722.db2.gz GDFBSIQAXQIPSQ-UHFFFAOYSA-N 1 3 358.534 2.431 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[N@@H+](C4CC4)C[C@@H](C)C3)cc2)CC1 ZINC000452176762 560354733 /nfs/dbraw/zinc/35/47/33/560354733.db2.gz VVQFIAJNHYIRIL-GOSISDBHSA-N 1 3 370.541 2.385 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[N@H+](C4CC4)C[C@@H](C)C3)cc2)CC1 ZINC000452176762 560354734 /nfs/dbraw/zinc/35/47/34/560354734.db2.gz VVQFIAJNHYIRIL-GOSISDBHSA-N 1 3 370.541 2.385 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454320266 560439726 /nfs/dbraw/zinc/43/97/26/560439726.db2.gz KYTTWQCFTDXASP-RBUKOAKNSA-N 1 3 374.529 2.253 20 0 FEADHO COc1ccc([C@H](CNC(=O)NC(C)(C)C[NH+](C)C)N2CCCC2)cc1 ZINC000457430543 560566473 /nfs/dbraw/zinc/56/64/73/560566473.db2.gz HBGGOXJTEZKRPI-SFHVURJKSA-N 1 3 362.518 2.472 20 0 FEADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000458427909 560622436 /nfs/dbraw/zinc/62/24/36/560622436.db2.gz MPUVCTZPBJOSPH-IBGZPJMESA-N 1 3 358.530 2.210 20 0 FEADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000458427909 560622438 /nfs/dbraw/zinc/62/24/38/560622438.db2.gz MPUVCTZPBJOSPH-IBGZPJMESA-N 1 3 358.530 2.210 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)NC(C)(C)C[NH+](C)C)cc2)CC1 ZINC000458770366 560647313 /nfs/dbraw/zinc/64/73/13/560647313.db2.gz SFKDLHJINGIXOS-UHFFFAOYSA-N 1 3 362.518 2.299 20 0 FEADHO CCO[C@@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000459092378 560666358 /nfs/dbraw/zinc/66/63/58/560666358.db2.gz IOJHRFZXLMDNDI-IPMKNSEASA-N 1 3 368.566 2.392 20 0 FEADHO CCO[C@@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000459092378 560666359 /nfs/dbraw/zinc/66/63/59/560666359.db2.gz IOJHRFZXLMDNDI-IPMKNSEASA-N 1 3 368.566 2.392 20 0 FEADHO CCn1cc([C@@H](C)NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000459120858 560668078 /nfs/dbraw/zinc/66/80/78/560668078.db2.gz ZSUSPHSSEDRIBS-AEFFLSMTSA-N 1 3 364.538 2.022 20 0 FEADHO CCn1cc([C@@H](C)NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cn1 ZINC000459120858 560668079 /nfs/dbraw/zinc/66/80/79/560668079.db2.gz ZSUSPHSSEDRIBS-AEFFLSMTSA-N 1 3 364.538 2.022 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H]([NH+](C)C)C3)CC2)c1 ZINC000462013766 560792729 /nfs/dbraw/zinc/79/27/29/560792729.db2.gz LFGXCFWHIHDVLY-FQEVSTJZSA-N 1 3 358.530 2.060 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)CC1 ZINC000465005178 560856790 /nfs/dbraw/zinc/85/67/90/560856790.db2.gz DIRIIQPTLATXMA-HKUYNNGSSA-N 1 3 368.566 2.248 20 0 FEADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000465393951 560864522 /nfs/dbraw/zinc/86/45/22/560864522.db2.gz HHMLYROPNFNYIR-SFHVURJKSA-N 1 3 361.534 2.133 20 0 FEADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000465393951 560864523 /nfs/dbraw/zinc/86/45/23/560864523.db2.gz HHMLYROPNFNYIR-SFHVURJKSA-N 1 3 361.534 2.133 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000465393950 560864526 /nfs/dbraw/zinc/86/45/26/560864526.db2.gz HHMLYROPNFNYIR-GOSISDBHSA-N 1 3 361.534 2.133 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000465393950 560864527 /nfs/dbraw/zinc/86/45/27/560864527.db2.gz HHMLYROPNFNYIR-GOSISDBHSA-N 1 3 361.534 2.133 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCN1C ZINC000465582676 560869048 /nfs/dbraw/zinc/86/90/48/560869048.db2.gz ZMFONHUGCBZXMK-XLIONFOSSA-N 1 3 358.530 2.475 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2ccc3ncccc3c2)C1)[C@@H]1CCC[NH2+]1 ZINC000469860372 560967251 /nfs/dbraw/zinc/96/72/51/560967251.db2.gz FIGPCJZSKCRPBI-XLIONFOSSA-N 1 3 352.482 2.315 20 0 FEADHO C[N@@H+]1CCCC[C@H]1CCN1CCN(CCCOCC(F)(F)F)CC1 ZINC000472745662 561034305 /nfs/dbraw/zinc/03/43/05/561034305.db2.gz DXBQWYMTISUGDB-INIZCTEOSA-N 1 3 351.457 2.447 20 0 FEADHO C[N@H+]1CCCC[C@H]1CCN1CCN(CCCOCC(F)(F)F)CC1 ZINC000472745662 561034306 /nfs/dbraw/zinc/03/43/06/561034306.db2.gz DXBQWYMTISUGDB-INIZCTEOSA-N 1 3 351.457 2.447 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000473907599 561060483 /nfs/dbraw/zinc/06/04/83/561060483.db2.gz BLEQBJFCXFGQSV-UHFFFAOYSA-N 1 3 374.529 2.397 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000476055696 561110368 /nfs/dbraw/zinc/11/03/68/561110368.db2.gz MWZHYYMMPIFTIM-QZTJIDSGSA-N 1 3 368.566 2.438 20 0 FEADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)C1CC1 ZINC000477042840 561134999 /nfs/dbraw/zinc/13/49/99/561134999.db2.gz YPCMUZZLYATRSA-UYAOXDASSA-N 1 3 356.514 2.433 20 0 FEADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)C1CC1 ZINC000477042840 561135000 /nfs/dbraw/zinc/13/50/00/561135000.db2.gz YPCMUZZLYATRSA-UYAOXDASSA-N 1 3 356.514 2.433 20 0 FEADHO CN(C)CCc1ccccc1NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528692186 562342335 /nfs/dbraw/zinc/34/23/35/562342335.db2.gz VVRLPOGLRYGAPD-LJQANCHMSA-N 1 3 374.529 2.413 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000529284352 562367241 /nfs/dbraw/zinc/36/72/41/562367241.db2.gz TVXIYVWKTAUYSI-VQTJNVASSA-N 1 3 374.529 2.089 20 0 FEADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239688 562403628 /nfs/dbraw/zinc/40/36/28/562403628.db2.gz HCDGIUPTAANWAK-UTKZUKDTSA-N 1 3 371.525 2.050 20 0 FEADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241443 562403890 /nfs/dbraw/zinc/40/38/90/562403890.db2.gz PVUYMMCXOMSJIX-GHTZIAJQSA-N 1 3 373.541 2.432 20 0 FEADHO c1ccc(N2CCOCC2)c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530249691 562404180 /nfs/dbraw/zinc/40/41/80/562404180.db2.gz XQVNEQSRXNZKAT-HXUWFJFHSA-N 1 3 359.514 2.114 20 0 FEADHO Cc1cc(NC(=O)NCCN2CCC(C)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000530711539 562421445 /nfs/dbraw/zinc/42/14/45/562421445.db2.gz HAWJDTAZJMLVME-UHFFFAOYSA-N 1 3 362.522 2.312 20 0 FEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000530809502 562424546 /nfs/dbraw/zinc/42/45/46/562424546.db2.gz HTHBCQMEXNUVJF-UNMCSNQZSA-N 1 3 373.541 2.394 20 0 FEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000530809502 562424547 /nfs/dbraw/zinc/42/45/47/562424547.db2.gz HTHBCQMEXNUVJF-UNMCSNQZSA-N 1 3 373.541 2.394 20 0 FEADHO CC(C)(CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000531281162 562440386 /nfs/dbraw/zinc/44/03/86/562440386.db2.gz AFDYVTMMMKMXGZ-NRFANRHFSA-N 1 3 359.514 2.004 20 0 FEADHO CC(C)(CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000531281162 562440387 /nfs/dbraw/zinc/44/03/87/562440387.db2.gz AFDYVTMMMKMXGZ-NRFANRHFSA-N 1 3 359.514 2.004 20 0 FEADHO CC(C)[NH+]1CCC(NC[C@@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC000531932554 562461911 /nfs/dbraw/zinc/46/19/11/562461911.db2.gz QPJYMBFNHQRHAM-SFHVURJKSA-N 1 3 350.576 2.499 20 0 FEADHO CC(C)N1CCC([NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC000531932554 562461912 /nfs/dbraw/zinc/46/19/12/562461912.db2.gz QPJYMBFNHQRHAM-SFHVURJKSA-N 1 3 350.576 2.499 20 0 FEADHO COc1cc(C)c(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)c(C)n1 ZINC000541923710 562623427 /nfs/dbraw/zinc/62/34/27/562623427.db2.gz VQTDTYBVUIPBGE-UHFFFAOYSA-N 1 3 370.497 2.288 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCCN3CCN(c4ccccc4)CC3)C[C@H]21 ZINC000563110018 568195423 /nfs/dbraw/zinc/19/54/23/568195423.db2.gz ZNOOISIZTRRLEK-HMXCVIKNSA-N 1 3 370.541 2.175 20 0 FEADHO CCC1([NH+](C)C)CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000637088005 568349419 /nfs/dbraw/zinc/34/94/19/568349419.db2.gz WCLRKPANGBOLTQ-KRWDZBQOSA-N 1 3 354.539 2.003 20 0 FEADHO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@H](O)CN2CCC(C)CC2)c1 ZINC000566234270 675196793 /nfs/dbraw/zinc/19/67/93/675196793.db2.gz KMBCUCXVBLTVNQ-IRXDYDNUSA-N 1 3 370.921 2.071 20 0 FEADHO CCCN(CC[NH+]1CCCCCC1)C(=O)CCN1CCN(CC)CC1 ZINC000562222865 674730041 /nfs/dbraw/zinc/73/00/41/674730041.db2.gz BJNJXPVJIBZMMV-UHFFFAOYSA-N 1 3 352.567 2.129 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](CNCc3nccs3)CC2)CC[N@@H+]1C ZINC001048606553 675011690 /nfs/dbraw/zinc/01/16/90/675011690.db2.gz SRITYSNSTYSHEC-QBPKDAKJSA-N 1 3 364.559 2.496 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](CNCc3nccs3)CC2)CC[N@H+]1C ZINC001048606553 675011692 /nfs/dbraw/zinc/01/16/92/675011692.db2.gz SRITYSNSTYSHEC-QBPKDAKJSA-N 1 3 364.559 2.496 20 0 FEADHO COc1cc(CN(CCN2CC[NH2+]CC2)C2CC2)ccc1OC(F)F ZINC000571682270 670911015 /nfs/dbraw/zinc/91/10/15/670911015.db2.gz QVEPECXPQWQXNG-UHFFFAOYSA-N 1 3 355.429 2.166 20 0 FEADHO COc1ccc(COC[C@@H](O)CNC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000574150512 671207758 /nfs/dbraw/zinc/20/77/58/671207758.db2.gz CETXBYJCPJKLIT-MOPGFXCFSA-N 1 3 350.503 2.283 20 0 FEADHO COc1ccc(COC[C@@H](O)CNC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000574150512 671207760 /nfs/dbraw/zinc/20/77/60/671207760.db2.gz CETXBYJCPJKLIT-MOPGFXCFSA-N 1 3 350.503 2.283 20 0 FEADHO COc1ccc(COC[C@@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000574150512 671207763 /nfs/dbraw/zinc/20/77/63/671207763.db2.gz CETXBYJCPJKLIT-MOPGFXCFSA-N 1 3 350.503 2.283 20 0 FEADHO COc1ccc(COC[C@@H](O)CNC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000574150514 671207940 /nfs/dbraw/zinc/20/79/40/671207940.db2.gz CETXBYJCPJKLIT-OALUTQOASA-N 1 3 350.503 2.283 20 0 FEADHO COc1ccc(COC[C@@H](O)CNC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000574150514 671207944 /nfs/dbraw/zinc/20/79/44/671207944.db2.gz CETXBYJCPJKLIT-OALUTQOASA-N 1 3 350.503 2.283 20 0 FEADHO COc1ccc(COC[C@@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000574150514 671207946 /nfs/dbraw/zinc/20/79/46/671207946.db2.gz CETXBYJCPJKLIT-OALUTQOASA-N 1 3 350.503 2.283 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@@H](OC)C3(C)C)CC2)CC1 ZINC000574290164 671223383 /nfs/dbraw/zinc/22/33/83/671223383.db2.gz NVUVOMUUXACZIJ-QZTJIDSGSA-N 1 3 351.535 2.112 20 0 FEADHO COC[C@]1(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC[NH2+]C1 ZINC000566146865 675185865 /nfs/dbraw/zinc/18/58/65/675185865.db2.gz QAEBBTILPODYCR-LPHOPBHVSA-N 1 3 365.543 2.263 20 0 FEADHO CO[C@@H]1CCCC[C@H]1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000574696030 671269266 /nfs/dbraw/zinc/26/92/66/671269266.db2.gz LHYJZCFBFOHHGT-QZTJIDSGSA-N 1 3 351.535 2.258 20 0 FEADHO CO[C@@H]1CCCC[C@@H]1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000574696032 671269370 /nfs/dbraw/zinc/26/93/70/671269370.db2.gz LHYJZCFBFOHHGT-ZWKOTPCHSA-N 1 3 351.535 2.258 20 0 FEADHO COC[C@@]1(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC[NH2+]C1 ZINC000566146868 675185913 /nfs/dbraw/zinc/18/59/13/675185913.db2.gz QAEBBTILPODYCR-VQIMIIECSA-N 1 3 365.543 2.263 20 0 FEADHO C[C@H]1C[N@H+](CCCNCCC(=O)Nc2cc(F)cc(F)c2)CCCO1 ZINC000575253353 671307632 /nfs/dbraw/zinc/30/76/32/671307632.db2.gz YJZGXYRZVUHLJD-AWEZNQCLSA-N 1 3 355.429 2.384 20 0 FEADHO C[C@H]1C[N@@H+](CCCNCCC(=O)Nc2cc(F)cc(F)c2)CCCO1 ZINC000575253353 671307635 /nfs/dbraw/zinc/30/76/35/671307635.db2.gz YJZGXYRZVUHLJD-AWEZNQCLSA-N 1 3 355.429 2.384 20 0 FEADHO C[NH+](C)CCNC(=O)C1CCN(CCc2ccc(F)cc2Cl)CC1 ZINC000580922896 671846662 /nfs/dbraw/zinc/84/66/62/671846662.db2.gz GSLDLAVCZICHAD-UHFFFAOYSA-N 1 3 355.885 2.411 20 0 FEADHO [NH3+]C1(CNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCC1 ZINC000583935448 672140718 /nfs/dbraw/zinc/14/07/18/672140718.db2.gz OYPWBODBLLQLEU-KRWDZBQOSA-N 1 3 355.404 2.439 20 0 FEADHO CS(=O)(=O)CC1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000584714664 672208503 /nfs/dbraw/zinc/20/85/03/672208503.db2.gz XGZVZIXMJDBCKT-VQIMIIECSA-N 1 3 364.511 2.047 20 0 FEADHO Cc1ccc(C)c(OC[C@@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000584717208 672208974 /nfs/dbraw/zinc/20/89/74/672208974.db2.gz UAGZDTCPPFPFOW-MOPGFXCFSA-N 1 3 350.503 2.134 20 0 FEADHO Cc1ccc(C)c(OC[C@@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000584717208 672208976 /nfs/dbraw/zinc/20/89/76/672208976.db2.gz UAGZDTCPPFPFOW-MOPGFXCFSA-N 1 3 350.503 2.134 20 0 FEADHO COCCC[NH+]1CCC(NC[C@@H](O)COc2cc(C)ccc2C)CC1 ZINC000584776342 672214936 /nfs/dbraw/zinc/21/49/36/672214936.db2.gz WJIUGTIQGPLZAF-LJQANCHMSA-N 1 3 350.503 2.134 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1Cl)N(C)C ZINC000170906814 672327039 /nfs/dbraw/zinc/32/70/39/672327039.db2.gz WVIYOIJEESOLBH-PBHICJAKSA-N 1 3 351.926 2.331 20 0 FEADHO CC(C)[C@@H]1CC(=O)N(CN2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000183521431 672470673 /nfs/dbraw/zinc/47/06/73/672470673.db2.gz SFYOSFUIVPWRKL-LJQANCHMSA-N 1 3 351.535 2.273 20 0 FEADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591727358 672705298 /nfs/dbraw/zinc/70/52/98/672705298.db2.gz CAMAKHWNCULSBV-OAHLLOKOSA-N 1 3 368.319 2.291 20 0 FEADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591727358 672705304 /nfs/dbraw/zinc/70/53/04/672705304.db2.gz CAMAKHWNCULSBV-OAHLLOKOSA-N 1 3 368.319 2.291 20 0 FEADHO CC(C)(C)OC(=O)NC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000700313771 673056439 /nfs/dbraw/zinc/05/64/39/673056439.db2.gz PNZKBVCYMPNPCY-HZPDHXFCSA-N 1 3 353.507 2.277 20 0 FEADHO CC(C)(C)OC(=O)NC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000700313771 673056443 /nfs/dbraw/zinc/05/64/43/673056443.db2.gz PNZKBVCYMPNPCY-HZPDHXFCSA-N 1 3 353.507 2.277 20 0 FEADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000327491670 673060732 /nfs/dbraw/zinc/06/07/32/673060732.db2.gz NZCGRWUOKAUSEB-RDJZCZTQSA-N 1 3 355.404 2.482 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C[C@@H]1N(C)C ZINC000597444784 673478410 /nfs/dbraw/zinc/47/84/10/673478410.db2.gz CERCAQRCCGWDJB-CEXWTWQISA-N 1 3 361.555 2.370 20 0 FEADHO COCC(=O)N1CCC([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000542842020 673609857 /nfs/dbraw/zinc/60/98/57/673609857.db2.gz XPSORFXMMKRCFN-APWZRJJASA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545868557 673779070 /nfs/dbraw/zinc/77/90/70/673779070.db2.gz SBOPHIQBQYAGLZ-LRDDRELGSA-N 1 3 359.392 2.079 20 0 FEADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000545868557 673779071 /nfs/dbraw/zinc/77/90/71/673779071.db2.gz SBOPHIQBQYAGLZ-LRDDRELGSA-N 1 3 359.392 2.079 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C(C)C)[C@H]3CCOC3)CC2)CC1 ZINC000566453090 675215425 /nfs/dbraw/zinc/21/54/25/675215425.db2.gz TWYOEAFYBCUJTF-IBGZPJMESA-N 1 3 351.535 2.209 20 0 FEADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000819172927 675266236 /nfs/dbraw/zinc/26/62/36/675266236.db2.gz HODOBNDWWYXARX-IPMKNSEASA-N 1 3 354.441 2.356 20 0 FEADHO CN1CCN(CC[NH2+]C[C@H](O)c2ccc(Br)cc2)CC1(C)C ZINC000819287656 675277176 /nfs/dbraw/zinc/27/71/76/675277176.db2.gz QIIRUBWUWYSHOP-INIZCTEOSA-N 1 3 370.335 2.098 20 0 FEADHO CN1CCN(CC[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1(C)C ZINC000819287517 675277283 /nfs/dbraw/zinc/27/72/83/675277283.db2.gz OKSBOWOBOPWBOM-MRXNPFEDSA-N 1 3 359.436 2.354 20 0 FEADHO CCO[C@@H](C)c1nc(CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000568396460 675371001 /nfs/dbraw/zinc/37/10/01/675371001.db2.gz JEUZVQIGMDZYRT-JKSUJKDBSA-N 1 3 352.548 2.358 20 0 FEADHO CN(C[C@H](O)CN1CCC(C[NH+]2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000822582766 675493159 /nfs/dbraw/zinc/49/31/59/675493159.db2.gz HOIWNSPPSJYMPI-KRWDZBQOSA-N 1 3 355.523 2.022 20 0 FEADHO C[NH+](C)C[C@H]1CCN(C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000822621275 675496341 /nfs/dbraw/zinc/49/63/41/675496341.db2.gz HPRCZWXSWSVHJR-APWZRJJASA-N 1 3 355.523 2.022 20 0 FEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1conc1C(F)(F)F ZINC000825161021 675639433 /nfs/dbraw/zinc/63/94/33/675639433.db2.gz YITKSKMSZICWJZ-LBPRGKRZSA-N 1 3 362.396 2.182 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000617505693 676288855 /nfs/dbraw/zinc/28/88/55/676288855.db2.gz MTVUZRYYMJEXMS-XKQJLSEDSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000617505693 676288856 /nfs/dbraw/zinc/28/88/56/676288856.db2.gz MTVUZRYYMJEXMS-XKQJLSEDSA-N 1 3 353.457 2.457 20 0 FEADHO CO[C@H](C)c1nc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000617505605 676289042 /nfs/dbraw/zinc/28/90/42/676289042.db2.gz JSDJAQNZPFSRJO-GXTWGEPZSA-N 1 3 356.536 2.161 20 0 FEADHO CO[C@H](C)c1nc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000617505605 676289043 /nfs/dbraw/zinc/28/90/43/676289043.db2.gz JSDJAQNZPFSRJO-GXTWGEPZSA-N 1 3 356.536 2.161 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000617505818 676289259 /nfs/dbraw/zinc/28/92/59/676289259.db2.gz RAHVHGGZWBBANS-RRFJBIMHSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000617505818 676289262 /nfs/dbraw/zinc/28/92/62/676289262.db2.gz RAHVHGGZWBBANS-RRFJBIMHSA-N 1 3 353.457 2.457 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000619115874 676364031 /nfs/dbraw/zinc/36/40/31/676364031.db2.gz KWEVRFVIMDUWRH-SJORKVTESA-N 1 3 351.535 2.209 20 0 FEADHO CN(C)C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000632922892 677021756 /nfs/dbraw/zinc/02/17/56/677021756.db2.gz LDDRDBVLIFUKIU-KRWDZBQOSA-N 1 3 363.893 2.131 20 0 FEADHO CCN(CC)[C@H](CNC(=O)c1cnc(C[NH3+])nc1)c1ccccc1Cl ZINC000638049388 677138628 /nfs/dbraw/zinc/13/86/28/677138628.db2.gz DUIKKWXFTFFVEV-MRXNPFEDSA-N 1 3 361.877 2.402 20 0 FEADHO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639758005 677165278 /nfs/dbraw/zinc/16/52/78/677165278.db2.gz OJOFJZXBDBIJNY-MSOLQXFVSA-N 1 3 351.535 2.116 20 0 FEADHO CN(CCCO)C1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000647964035 677309507 /nfs/dbraw/zinc/30/95/07/677309507.db2.gz OAFCRDSDKQZKEJ-KRWDZBQOSA-N 1 3 353.551 2.050 20 0 FEADHO C[NH+]1CCN(c2ccc(NC(=O)[C@H](N)c3cccc(Cl)c3)cn2)CC1 ZINC000648149552 677311968 /nfs/dbraw/zinc/31/19/68/677311968.db2.gz JABJCOZLNNAQBG-QGZVFWFLSA-N 1 3 359.861 2.125 20 0 FEADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)C[C@H]1C ZINC000649547459 677332674 /nfs/dbraw/zinc/33/26/74/677332674.db2.gz TXXCAORQVFJIDC-QAPCUYQASA-N 1 3 365.543 2.432 20 0 FEADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)C[C@H]1C ZINC000649547459 677332675 /nfs/dbraw/zinc/33/26/75/677332675.db2.gz TXXCAORQVFJIDC-QAPCUYQASA-N 1 3 365.543 2.432 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653120676 677516738 /nfs/dbraw/zinc/51/67/38/677516738.db2.gz WXJHFPVZHBRUJQ-IRXDYDNUSA-N 1 3 351.560 2.385 20 0 FEADHO C[NH+](C)CCNC(=O)C1CCN(CCCc2c(F)cccc2F)CC1 ZINC000653577249 677538420 /nfs/dbraw/zinc/53/84/20/677538420.db2.gz HWVKCSQPMLOWGB-UHFFFAOYSA-N 1 3 353.457 2.287 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N(C)CC(C)(C)[NH3+])N(C)C)cc1 ZINC000659492323 678183981 /nfs/dbraw/zinc/18/39/81/678183981.db2.gz DEANJIZMGXIQTG-KRWDZBQOSA-N 1 3 350.507 2.455 20 0 FEADHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)C[C@@H]1CNCCO1 ZINC000662656629 678647967 /nfs/dbraw/zinc/64/79/67/678647967.db2.gz QOIYDKGBEPBBJI-GOSISDBHSA-N 1 3 367.921 2.389 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1cc(F)ccc1F ZINC000664297614 678857991 /nfs/dbraw/zinc/85/79/91/678857991.db2.gz KKCCFJYAXRMAOE-AWEZNQCLSA-N 1 3 356.461 2.079 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1cc(F)ccc1F ZINC000664297614 678857992 /nfs/dbraw/zinc/85/79/92/678857992.db2.gz KKCCFJYAXRMAOE-AWEZNQCLSA-N 1 3 356.461 2.079 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000664473563 678883905 /nfs/dbraw/zinc/88/39/05/678883905.db2.gz AZEJFDNVNZNRHA-IRXDYDNUSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000664473563 678883910 /nfs/dbraw/zinc/88/39/10/678883910.db2.gz AZEJFDNVNZNRHA-IRXDYDNUSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000664551173 678894366 /nfs/dbraw/zinc/89/43/66/678894366.db2.gz JCIZXWVXAJFSHO-BBWFWOEESA-N 1 3 356.555 2.151 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000664551173 678894371 /nfs/dbraw/zinc/89/43/71/678894371.db2.gz JCIZXWVXAJFSHO-BBWFWOEESA-N 1 3 356.555 2.151 20 0 FEADHO C[C@@H](CCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)[NH+](C)C ZINC000664782400 678923745 /nfs/dbraw/zinc/92/37/45/678923745.db2.gz JYALGEAGRFATQN-GRTSSRMGSA-N 1 3 364.456 2.431 20 0 FEADHO CC(C)[C@@H]1C[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000665026554 678938244 /nfs/dbraw/zinc/93/82/44/678938244.db2.gz HWWDPWRAQNNOIQ-KSZLIROESA-N 1 3 356.555 2.009 20 0 FEADHO CC(C)[C@@H]1C[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000665026554 678938245 /nfs/dbraw/zinc/93/82/45/678938245.db2.gz HWWDPWRAQNNOIQ-KSZLIROESA-N 1 3 356.555 2.009 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000665763761 678982665 /nfs/dbraw/zinc/98/26/65/678982665.db2.gz LDTUCMPQGBBHPQ-WMZOPIPTSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000665763761 678982666 /nfs/dbraw/zinc/98/26/66/678982666.db2.gz LDTUCMPQGBBHPQ-WMZOPIPTSA-N 1 3 354.539 2.002 20 0 FEADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000671771972 679345757 /nfs/dbraw/zinc/34/57/57/679345757.db2.gz IBTOKBVOXJEEBM-RFGFWPKPSA-N 1 3 351.520 2.280 20 0 FEADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000671771972 679345760 /nfs/dbraw/zinc/34/57/60/679345760.db2.gz IBTOKBVOXJEEBM-RFGFWPKPSA-N 1 3 351.520 2.280 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc(Cl)n1 ZINC000831880376 680056405 /nfs/dbraw/zinc/05/64/05/680056405.db2.gz CTUHLDKSPBORCL-HZPDHXFCSA-N 1 3 368.909 2.003 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N2CCC([NH2+]CC3CC3)CC2)cc(Cl)n1 ZINC000832793869 680177116 /nfs/dbraw/zinc/17/71/16/680177116.db2.gz RFKPOBZHPIXQLW-INIZCTEOSA-N 1 3 350.894 2.424 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNCc3nc(C)sc3C)C2)CC[N@@H+]1C ZINC000983712879 680323415 /nfs/dbraw/zinc/32/34/15/680323415.db2.gz DSDXHJICKKXZGB-NBOOPKSLSA-N 1 3 364.559 2.475 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNCc3nc(C)sc3C)C2)CC[N@H+]1C ZINC000983712879 680323418 /nfs/dbraw/zinc/32/34/18/680323418.db2.gz DSDXHJICKKXZGB-NBOOPKSLSA-N 1 3 364.559 2.475 20 0 FEADHO CCNc1nc(C)c(C(=O)N(CC[NH+](C)C)C[C@H]2CCCN2CC)s1 ZINC000759238117 680635974 /nfs/dbraw/zinc/63/59/74/680635974.db2.gz UCWWDMQDPXLXOH-OAHLLOKOSA-N 1 3 367.563 2.371 20 0 FEADHO COc1ccccc1[C@@H](N)CNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841846699 680914644 /nfs/dbraw/zinc/91/46/44/680914644.db2.gz SPONOHQKFBLPHG-CABCVRRESA-N 1 3 362.861 2.258 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3CCc2ccns2)CC[N@@H+]1C ZINC001049488195 681033511 /nfs/dbraw/zinc/03/35/11/681033511.db2.gz XQYUTXQIPJTCLD-NRSFXHEJSA-N 1 3 362.543 2.091 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3CCc2ccns2)CC[N@H+]1C ZINC001049488195 681033514 /nfs/dbraw/zinc/03/35/14/681033514.db2.gz XQYUTXQIPJTCLD-NRSFXHEJSA-N 1 3 362.543 2.091 20 0 FEADHO Cc1ncc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC001052392613 681076292 /nfs/dbraw/zinc/07/62/92/681076292.db2.gz ZJUKSUGAAAPOGA-FRFSOERESA-N 1 3 350.532 2.262 20 0 FEADHO Cc1ncc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC001052392613 681076293 /nfs/dbraw/zinc/07/62/93/681076293.db2.gz ZJUKSUGAAAPOGA-FRFSOERESA-N 1 3 350.532 2.262 20 0 FEADHO [NH3+]CCCCCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000846218661 681202729 /nfs/dbraw/zinc/20/27/29/681202729.db2.gz QNDXAEGEMKFMPT-UHFFFAOYSA-N 1 3 357.495 2.088 20 0 FEADHO [NH2+]=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1cccc(OC(F)(F)F)c1 ZINC000849082915 681650837 /nfs/dbraw/zinc/65/08/37/681650837.db2.gz QOCUHJVTFKWBGY-GXTWGEPZSA-N 1 3 358.364 2.385 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3cc(F)cc(F)c3)C2)CC[N@@H+]1C ZINC000968737904 682244221 /nfs/dbraw/zinc/24/42/21/682244221.db2.gz IXDYFQJEZOBUCN-FGTMMUONSA-N 1 3 351.441 2.386 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3cc(F)cc(F)c3)C2)CC[N@H+]1C ZINC000968737904 682244223 /nfs/dbraw/zinc/24/42/23/682244223.db2.gz IXDYFQJEZOBUCN-FGTMMUONSA-N 1 3 351.441 2.386 20 0 FEADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927640401 683282275 /nfs/dbraw/zinc/28/22/75/683282275.db2.gz JGUVBIYLYNHIJJ-GOSISDBHSA-N 1 3 354.539 2.003 20 0 FEADHO CCN1CCN(c2ccc(NC(=S)NC3CC[NH+](C)CC3)cc2)CC1 ZINC000920307553 683332093 /nfs/dbraw/zinc/33/20/93/683332093.db2.gz KFEAMDOOCZJOCC-UHFFFAOYSA-N 1 3 361.559 2.209 20 0 FEADHO COCC(COC)[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000931094361 683831316 /nfs/dbraw/zinc/83/13/16/683831316.db2.gz NKFIAFZPZGFHOI-LJQANCHMSA-N 1 3 351.491 2.036 20 0 FEADHO COCC(COC)[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000931094361 683831322 /nfs/dbraw/zinc/83/13/22/683831322.db2.gz NKFIAFZPZGFHOI-LJQANCHMSA-N 1 3 351.491 2.036 20 0 FEADHO CC1CC[NH+]([C@H](CN2C(=O)N[C@@H](CN(C)C)C2=O)c2cccs2)CC1 ZINC000924440139 684446984 /nfs/dbraw/zinc/44/69/84/684446984.db2.gz QOGWYKGWGPHQFW-LSDHHAIUSA-N 1 3 364.515 2.003 20 0 FEADHO CCN(CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)C(=O)OC(C)(C)C ZINC000924914941 684506678 /nfs/dbraw/zinc/50/66/78/684506678.db2.gz LVPVADFUNNXJAO-ALOPSCKCSA-N 1 3 355.523 2.475 20 0 FEADHO CCN(CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)C(=O)OC(C)(C)C ZINC000924914941 684506682 /nfs/dbraw/zinc/50/66/82/684506682.db2.gz LVPVADFUNNXJAO-ALOPSCKCSA-N 1 3 355.523 2.475 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)CCN1C ZINC000925326261 684549893 /nfs/dbraw/zinc/54/98/93/684549893.db2.gz QBBXMYYXQXRVIQ-DYVFJYSZSA-N 1 3 354.445 2.131 20 0 FEADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925332793 684550538 /nfs/dbraw/zinc/55/05/38/684550538.db2.gz XMNSZMRSHOGVRW-KGLIPLIRSA-N 1 3 352.445 2.385 20 0 FEADHO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925612532 684574029 /nfs/dbraw/zinc/57/40/29/684574029.db2.gz SJWXRVGUEHASPL-MOPGFXCFSA-N 1 3 371.591 2.195 20 0 FEADHO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000869763250 684652386 /nfs/dbraw/zinc/65/23/86/684652386.db2.gz PQKKZRGQWVMOKK-IBGZPJMESA-N 1 3 357.514 2.016 20 0 FEADHO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)C[C@H]1C[NH+](C)C ZINC000870018763 684675164 /nfs/dbraw/zinc/67/51/64/684675164.db2.gz GTBMVVBTPANHTP-HUUCEWRRSA-N 1 3 361.511 2.418 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2ccc(Br)cn2)CC[NH2+]CC1 ZINC000873262995 685102539 /nfs/dbraw/zinc/10/25/39/685102539.db2.gz RKQBYMJTVVQMPD-GFCCVEGCSA-N 1 3 370.291 2.255 20 0 FEADHO CCN(CC)[C@H](CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000876715083 686251473 /nfs/dbraw/zinc/25/14/73/686251473.db2.gz HFWTYVYSWNUIMA-NXHRZFHOSA-N 1 3 351.466 2.142 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876849966 686281399 /nfs/dbraw/zinc/28/13/99/686281399.db2.gz DDJVHRIEVDYXOM-LYASGUKUSA-N 1 3 351.441 2.411 20 0 FEADHO CN(C)C[C@@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1cccc(C(F)(F)F)c1 ZINC000877129343 686329546 /nfs/dbraw/zinc/32/95/46/686329546.db2.gz BVKPVVHQTMVFIF-XQQFMLRXSA-N 1 3 365.346 2.264 20 0 FEADHO COCC[C@H](CN1CCCC12CC[NH+](C)CC2)NC(=O)OC(C)(C)C ZINC000877458184 686381553 /nfs/dbraw/zinc/38/15/53/686381553.db2.gz KPENQULSNKYRLK-MRXNPFEDSA-N 1 3 355.523 2.476 20 0 FEADHO C[NH+](C)C[C@]1(O)CCCN(CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000878867005 686677873 /nfs/dbraw/zinc/67/78/73/686677873.db2.gz ZEGPAHVBQLLKAV-VQIMIIECSA-N 1 3 355.523 2.022 20 0 FEADHO CCN(C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@H]1CC[NH2+]C1 ZINC000891865647 689119097 /nfs/dbraw/zinc/11/90/97/689119097.db2.gz RXZIPIQWBTWFRB-SLTAFYQDSA-N 1 3 362.440 2.185 20 0 FEADHO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000903176221 690861395 /nfs/dbraw/zinc/86/13/95/690861395.db2.gz XJEMRBKHJJRZGF-UHFFFAOYSA-N 1 3 365.543 2.042 20 0 FEADHO Brc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)nc1 ZINC000903507363 690904052 /nfs/dbraw/zinc/90/40/52/690904052.db2.gz XHJAFXZCKNUQPU-CALCHBBNSA-N 1 3 365.319 2.245 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)C1 ZINC000903988794 690992463 /nfs/dbraw/zinc/99/24/63/690992463.db2.gz XIZFTGIADYFFMC-LSDHHAIUSA-N 1 3 362.543 2.009 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)C1 ZINC000903988794 690992466 /nfs/dbraw/zinc/99/24/66/690992466.db2.gz XIZFTGIADYFFMC-LSDHHAIUSA-N 1 3 362.543 2.009 20 0 FEADHO C[C@]1(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(F)(F)F)C2)CCCNC1 ZINC000904380357 691023625 /nfs/dbraw/zinc/02/36/25/691023625.db2.gz BDGYJLPOQXGGPY-BWJWTDLKSA-N 1 3 359.436 2.107 20 0 FEADHO C[C@]1(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(F)(F)F)C2)CCCNC1 ZINC000904380357 691023628 /nfs/dbraw/zinc/02/36/28/691023628.db2.gz BDGYJLPOQXGGPY-BWJWTDLKSA-N 1 3 359.436 2.107 20 0 FEADHO C[C@](O)(C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)C(F)(F)C(F)(F)F ZINC000905126047 691071167 /nfs/dbraw/zinc/07/11/67/691071167.db2.gz CQCXFKGOGYNZFX-AAEUAGOBSA-N 1 3 360.367 2.026 20 0 FEADHO Cn1cc(CN2CC[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)C[C@H]3C2)cn1 ZINC001164762609 721166995 /nfs/dbraw/zinc/16/69/95/721166995.db2.gz CZOTYRJYSFAOFD-RTBURBONSA-N 1 3 366.513 2.374 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000050203687 540403478 /nfs/dbraw/zinc/40/34/78/540403478.db2.gz ZNDOKOUUXFARHF-IBGZPJMESA-N 1 3 372.513 2.164 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000050203687 540403480 /nfs/dbraw/zinc/40/34/80/540403480.db2.gz ZNDOKOUUXFARHF-IBGZPJMESA-N 1 3 372.513 2.164 20 0 FEADHO CCO[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000050797050 540414206 /nfs/dbraw/zinc/41/42/06/540414206.db2.gz CBVCWIMVVVEUFB-HXUWFJFHSA-N 1 3 359.514 2.439 20 0 FEADHO COc1ccc(CN(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000051759855 540443227 /nfs/dbraw/zinc/44/32/27/540443227.db2.gz BCDDLKPIEDLQEO-UHFFFAOYSA-N 1 3 374.529 2.395 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3c3ccncc3)CC2)CC1 ZINC000051758962 540443730 /nfs/dbraw/zinc/44/37/30/540443730.db2.gz AFDYIKFSTDBJTP-FQEVSTJZSA-N 1 3 371.529 2.487 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3c3ccccn3)CC2)CC1 ZINC000051777715 540444158 /nfs/dbraw/zinc/44/41/58/540444158.db2.gz QNWFIEKSDCXTKD-HXUWFJFHSA-N 1 3 371.529 2.487 20 0 FEADHO CC[N@@H+](CC(=O)N1CCCN(Cc2ccccc2C)CC1)C[C@@H]1CCOC1 ZINC000052072675 540453786 /nfs/dbraw/zinc/45/37/86/540453786.db2.gz DBURXMKDSXVIEW-FQEVSTJZSA-N 1 3 373.541 2.388 20 0 FEADHO CC[N@H+](CC(=O)N1CCCN(Cc2ccccc2C)CC1)C[C@@H]1CCOC1 ZINC000052072675 540453790 /nfs/dbraw/zinc/45/37/90/540453790.db2.gz DBURXMKDSXVIEW-FQEVSTJZSA-N 1 3 373.541 2.388 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000057279844 540785303 /nfs/dbraw/zinc/78/53/03/540785303.db2.gz ZXWBGTHSNUFQQP-YQQQUEKLSA-N 1 3 374.529 2.299 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000057279844 540785306 /nfs/dbraw/zinc/78/53/06/540785306.db2.gz ZXWBGTHSNUFQQP-YQQQUEKLSA-N 1 3 374.529 2.299 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000066223456 541293155 /nfs/dbraw/zinc/29/31/55/541293155.db2.gz GTPCKUQVIVXVAI-IBGZPJMESA-N 1 3 372.513 2.164 20 0 FEADHO COc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc2c1OCCO2 ZINC000067453186 541466310 /nfs/dbraw/zinc/46/63/10/541466310.db2.gz YTKDIHYPMMPYME-HZPDHXFCSA-N 1 3 364.486 2.445 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)C2CC[NH+](C)CC2)cc1)[C@H]1CCCN(C)C1 ZINC000073976103 542021601 /nfs/dbraw/zinc/02/16/01/542021601.db2.gz PGXPKOFKVOHBBN-IBGZPJMESA-N 1 3 372.513 2.133 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1scnc1C ZINC000074094554 542035401 /nfs/dbraw/zinc/03/54/01/542035401.db2.gz QEHUYMZDVXFQSY-OAHLLOKOSA-N 1 3 353.536 2.009 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1scnc1C ZINC000074094554 542035404 /nfs/dbraw/zinc/03/54/04/542035404.db2.gz QEHUYMZDVXFQSY-OAHLLOKOSA-N 1 3 353.536 2.009 20 0 FEADHO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000075215887 542160689 /nfs/dbraw/zinc/16/06/89/542160689.db2.gz ILKUVDHPGKIJRX-GOSISDBHSA-N 1 3 361.534 2.173 20 0 FEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000075329198 542170174 /nfs/dbraw/zinc/17/01/74/542170174.db2.gz IQRUMNQYWBMAIH-SFHVURJKSA-N 1 3 361.534 2.173 20 0 FEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000075329198 542170179 /nfs/dbraw/zinc/17/01/79/542170179.db2.gz IQRUMNQYWBMAIH-SFHVURJKSA-N 1 3 361.534 2.173 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCOc2ccccc2)CC1 ZINC000076324970 542260631 /nfs/dbraw/zinc/26/06/31/542260631.db2.gz HMCRPRXTGGENHM-UHFFFAOYSA-N 1 3 361.530 2.481 20 0 FEADHO COc1ccc(OCc2ccccn2)c(CNCC2(O)CC[NH+](C)CC2)c1 ZINC000077450325 542383106 /nfs/dbraw/zinc/38/31/06/542383106.db2.gz SZVHMBKDXBGCPB-UHFFFAOYSA-N 1 3 371.481 2.216 20 0 FEADHO CC(C)[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000077752203 542415361 /nfs/dbraw/zinc/41/53/61/542415361.db2.gz JNSOICUSDKZDMP-SFHVURJKSA-N 1 3 374.533 2.395 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc(F)cc1Cl ZINC000077829009 542425227 /nfs/dbraw/zinc/42/52/27/542425227.db2.gz KTYPPMCEWUETNQ-UHFFFAOYSA-N 1 3 358.889 2.156 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000079171268 542504393 /nfs/dbraw/zinc/50/43/93/542504393.db2.gz WYZXCRABICKQGI-RBUKOAKNSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000079171268 542504395 /nfs/dbraw/zinc/50/43/95/542504395.db2.gz WYZXCRABICKQGI-RBUKOAKNSA-N 1 3 360.502 2.053 20 0 FEADHO C[C@H](CNC(=O)NCC1(N2CCSCC2)CCCC1)C[NH+]1CCCC1 ZINC000080015011 542557939 /nfs/dbraw/zinc/55/79/39/542557939.db2.gz AJFCKKANNAHPLC-QGZVFWFLSA-N 1 3 368.591 2.379 20 0 FEADHO Cc1csc([C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C2CC2)n1 ZINC000080450568 542590076 /nfs/dbraw/zinc/59/00/76/542590076.db2.gz PWJLNASBWGYFQN-OAHLLOKOSA-N 1 3 353.536 2.037 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2CN2CCOCC2)CC1 ZINC000092218331 542849184 /nfs/dbraw/zinc/84/91/84/542849184.db2.gz XFAIJGGCCBTWPS-NRFANRHFSA-N 1 3 372.557 2.125 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]2CN2CCOCC2)CC1 ZINC000092218331 542849185 /nfs/dbraw/zinc/84/91/85/542849185.db2.gz XFAIJGGCCBTWPS-NRFANRHFSA-N 1 3 372.557 2.125 20 0 FEADHO CCN1CCN(c2ccccc2C[NH+]2CCC(N(C)C(C)=O)CC2)CC1 ZINC000092538705 542869998 /nfs/dbraw/zinc/86/99/98/542869998.db2.gz AVELSQFJPNZMNF-UHFFFAOYSA-N 1 3 358.530 2.271 20 0 FEADHO C[C@@H]1CCCCN1CCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092853450 542892218 /nfs/dbraw/zinc/89/22/18/542892218.db2.gz HBJGNFTXNVSTQY-QGZVFWFLSA-N 1 3 359.518 2.472 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000093123841 542910117 /nfs/dbraw/zinc/91/01/17/542910117.db2.gz ZSNCLBNSZPYEFZ-RBUKOAKNSA-N 1 3 357.502 2.224 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000093123841 542910122 /nfs/dbraw/zinc/91/01/22/542910122.db2.gz ZSNCLBNSZPYEFZ-RBUKOAKNSA-N 1 3 357.502 2.224 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000103212786 543097091 /nfs/dbraw/zinc/09/70/91/543097091.db2.gz UISVNHBCFQVUNA-UHFFFAOYSA-N 1 3 363.893 2.091 20 0 FEADHO CN(C)[C@@H]1CCCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000105244046 543166504 /nfs/dbraw/zinc/16/65/04/543166504.db2.gz YVZXWECRYKMAET-GOSISDBHSA-N 1 3 362.518 2.253 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@@H]3c3ncc[nH]3)CC2)CC1 ZINC000106550997 543236859 /nfs/dbraw/zinc/23/68/59/543236859.db2.gz XIGQOYGYTLRVSW-GOSISDBHSA-N 1 3 374.533 2.205 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108557365 543294088 /nfs/dbraw/zinc/29/40/88/543294088.db2.gz GCKAXWUYSRDJKP-KRWDZBQOSA-N 1 3 366.575 2.132 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108557365 543294092 /nfs/dbraw/zinc/29/40/92/543294092.db2.gz GCKAXWUYSRDJKP-KRWDZBQOSA-N 1 3 366.575 2.132 20 0 FEADHO CC[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000108552537 543294329 /nfs/dbraw/zinc/29/43/29/543294329.db2.gz RGXRSUQKKQPKPP-FXAWDEMLSA-N 1 3 358.530 2.464 20 0 FEADHO CC[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000108552537 543294331 /nfs/dbraw/zinc/29/43/31/543294331.db2.gz RGXRSUQKKQPKPP-FXAWDEMLSA-N 1 3 358.530 2.464 20 0 FEADHO CCN(CC)[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000109151398 543316180 /nfs/dbraw/zinc/31/61/80/543316180.db2.gz UQOBQKMGVMLTQJ-ICSRJNTNSA-N 1 3 360.546 2.069 20 0 FEADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000109786490 543339338 /nfs/dbraw/zinc/33/93/38/543339338.db2.gz USELHCOUWCNKAY-IBGZPJMESA-N 1 3 363.502 2.191 20 0 FEADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000109786490 543339340 /nfs/dbraw/zinc/33/93/40/543339340.db2.gz USELHCOUWCNKAY-IBGZPJMESA-N 1 3 363.502 2.191 20 0 FEADHO C[C@H]1CCC[N@H+](CCNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000109949618 543344574 /nfs/dbraw/zinc/34/45/74/543344574.db2.gz WZYYJDAFEMXVHQ-FQEVSTJZSA-N 1 3 372.557 2.437 20 0 FEADHO C[C@H]1CCC[N@@H+](CCNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000109949618 543344576 /nfs/dbraw/zinc/34/45/76/543344576.db2.gz WZYYJDAFEMXVHQ-FQEVSTJZSA-N 1 3 372.557 2.437 20 0 FEADHO C[NH+]1CCC(CCNC(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000111591780 543407910 /nfs/dbraw/zinc/40/79/10/543407910.db2.gz WXCVVJMCWSEOEH-UHFFFAOYSA-N 1 3 372.557 2.437 20 0 FEADHO CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)CC1 ZINC000111814148 543417158 /nfs/dbraw/zinc/41/71/58/543417158.db2.gz YWFWCLANZBHQQS-UHFFFAOYSA-N 1 3 362.518 2.299 20 0 FEADHO CC(C)C[C@@H]1COCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000113974205 543499850 /nfs/dbraw/zinc/49/98/50/543499850.db2.gz MOKBVZWVLXRBFC-LJQANCHMSA-N 1 3 366.550 2.002 20 0 FEADHO O=C(CN1CC[C@H](Cc2ccc(F)cc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000121322490 543692792 /nfs/dbraw/zinc/69/27/92/543692792.db2.gz DELKLXHNTOAAQB-QGZVFWFLSA-N 1 3 359.489 2.433 20 0 FEADHO CC(C)[C@H](C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000121993641 543702132 /nfs/dbraw/zinc/70/21/32/543702132.db2.gz NAJCDNUSBUJJLD-WOJBJXKFSA-N 1 3 360.546 2.068 20 0 FEADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128572465 544060311 /nfs/dbraw/zinc/06/03/11/544060311.db2.gz IVQRETFYXJMRBQ-KRWDZBQOSA-N 1 3 362.518 2.030 20 0 FEADHO CC[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)N1CCc2ccccc2C1 ZINC000129507037 544115465 /nfs/dbraw/zinc/11/54/65/544115465.db2.gz CUDCQJLRNCWEDO-XLIONFOSSA-N 1 3 358.530 2.416 20 0 FEADHO Cc1ccnn1-c1ccccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000133588208 544275850 /nfs/dbraw/zinc/27/58/50/544275850.db2.gz UCDGPHVKSXWVKI-UHFFFAOYSA-N 1 3 358.490 2.138 20 0 FEADHO CC1CC[NH+](CCCCNC(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000136441656 544373212 /nfs/dbraw/zinc/37/32/12/544373212.db2.gz ZMIOSUIFDKQMKO-UHFFFAOYSA-N 1 3 362.518 2.264 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cccc(OCCN2CCOCC2)c1 ZINC000155165849 544996616 /nfs/dbraw/zinc/99/66/16/544996616.db2.gz FUWYQSUWHUPTPX-LVCYWYKZSA-N 1 3 361.530 2.216 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cccc(OCCN2CCOCC2)c1 ZINC000155165849 544996618 /nfs/dbraw/zinc/99/66/18/544996618.db2.gz FUWYQSUWHUPTPX-LVCYWYKZSA-N 1 3 361.530 2.216 20 0 FEADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155165849 544996621 /nfs/dbraw/zinc/99/66/21/544996621.db2.gz FUWYQSUWHUPTPX-LVCYWYKZSA-N 1 3 361.530 2.216 20 0 FEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)N(C)C)cc1 ZINC000155013230 544976898 /nfs/dbraw/zinc/97/68/98/544976898.db2.gz QOQMPJKGENZZMX-PMACEKPBSA-N 1 3 359.514 2.357 20 0 FEADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)N(C)C)cc1 ZINC000155013230 544976903 /nfs/dbraw/zinc/97/69/03/544976903.db2.gz QOQMPJKGENZZMX-PMACEKPBSA-N 1 3 359.514 2.357 20 0 FEADHO CCOC[C@H]1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000553164300 674242736 /nfs/dbraw/zinc/24/27/36/674242736.db2.gz LFICJCMNRARZNA-KRWDZBQOSA-N 1 3 351.535 2.068 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CCC(CCC[NH+](C)C)CC2)ccn1 ZINC000183251164 327809081 /nfs/dbraw/zinc/80/90/81/327809081.db2.gz RLDXOXBNWBHTBH-UHFFFAOYSA-N 1 3 362.518 2.216 20 0 FEADHO CN1c2ccc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)cc2CCC1=O ZINC000187250919 328011244 /nfs/dbraw/zinc/01/12/44/328011244.db2.gz PBCHYDIGWISLOW-KRWDZBQOSA-N 1 3 357.498 2.186 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189041960 328125285 /nfs/dbraw/zinc/12/52/85/328125285.db2.gz VGRSGJAJSRJRAG-QGZVFWFLSA-N 1 3 359.493 2.186 20 0 FEADHO CN(CCOCC(F)(F)C(F)(F)F)CC[N@H+](C)C1CCN(C)CC1 ZINC000189774706 328167028 /nfs/dbraw/zinc/16/70/28/328167028.db2.gz QLYPBUHBRSOPBJ-UHFFFAOYSA-N 1 3 361.399 2.158 20 0 FEADHO CN(CCOCC(F)(F)C(F)(F)F)CC[N@@H+](C)C1CCN(C)CC1 ZINC000189774706 328167029 /nfs/dbraw/zinc/16/70/29/328167029.db2.gz QLYPBUHBRSOPBJ-UHFFFAOYSA-N 1 3 361.399 2.158 20 0 FEADHO C[C@@H]([NH3+])[C@H](C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000192119081 328300762 /nfs/dbraw/zinc/30/07/62/328300762.db2.gz RUJAMEXLEFWNON-UONOGXRCSA-N 1 3 353.894 2.283 20 0 FEADHO COc1cccc([C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)N2CCCC2)c1 ZINC000237313065 328511867 /nfs/dbraw/zinc/51/18/67/328511867.db2.gz CYIBAMIHYUCDGK-WMZOPIPTSA-N 1 3 363.527 2.043 20 0 FEADHO CCN(Cc1ccccc1)C(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000089269401 325309149 /nfs/dbraw/zinc/30/91/49/325309149.db2.gz XIXLEMGOYMFGCK-LJQANCHMSA-N 1 3 374.573 2.381 20 0 FEADHO O=C(CNC[C@H]1CCCO1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000237933420 328534703 /nfs/dbraw/zinc/53/47/03/328534703.db2.gz MIKMKHKBGCNEAX-HXUWFJFHSA-N 1 3 359.514 2.447 20 0 FEADHO Cc1cc(C)n(-c2ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc2)n1 ZINC000103210996 325510252 /nfs/dbraw/zinc/51/02/52/325510252.db2.gz RXJASPFYZFKKFF-UHFFFAOYSA-N 1 3 357.502 2.055 20 0 FEADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000118097717 326080206 /nfs/dbraw/zinc/08/02/06/326080206.db2.gz VARLGFFVNFIQGQ-IBGZPJMESA-N 1 3 372.513 2.212 20 0 FEADHO C([C@H]1CCOC1)N(CC1(C[N@H+](C[C@@H]2CCOC2)C2CC2)COC1)C1CC1 ZINC000119336366 326150896 /nfs/dbraw/zinc/15/08/96/326150896.db2.gz NATFKFXSEXUEMN-HDICACEKSA-N 1 3 364.530 2.005 20 0 FEADHO C([C@H]1CCOC1)N(CC1(C[N@@H+](C[C@@H]2CCOC2)C2CC2)COC1)C1CC1 ZINC000119336366 326150898 /nfs/dbraw/zinc/15/08/98/326150898.db2.gz NATFKFXSEXUEMN-HDICACEKSA-N 1 3 364.530 2.005 20 0 FEADHO C([C@H]1CCOC1)[N@@H+](CC1(CN(C[C@@H]2CCOC2)C2CC2)COC1)C1CC1 ZINC000119336366 326150900 /nfs/dbraw/zinc/15/09/00/326150900.db2.gz NATFKFXSEXUEMN-HDICACEKSA-N 1 3 364.530 2.005 20 0 FEADHO C([C@H]1CCOC1)[N@H+](CC1(CN(C[C@@H]2CCOC2)C2CC2)COC1)C1CC1 ZINC000119336366 326150902 /nfs/dbraw/zinc/15/09/02/326150902.db2.gz NATFKFXSEXUEMN-HDICACEKSA-N 1 3 364.530 2.005 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000120424726 326257751 /nfs/dbraw/zinc/25/77/51/326257751.db2.gz MGSLHEUUHVIVTI-AEFFLSMTSA-N 1 3 362.518 2.109 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1OCCN(C)C ZINC000120424726 326257753 /nfs/dbraw/zinc/25/77/53/326257753.db2.gz MGSLHEUUHVIVTI-AEFFLSMTSA-N 1 3 362.518 2.109 20 0 FEADHO CC1CCN(CC(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000122168053 326386533 /nfs/dbraw/zinc/38/65/33/326386533.db2.gz AVWKCUQTIJXCKU-KDURUIRLSA-N 1 3 365.562 2.456 20 0 FEADHO CC1CCN(CC(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000122168053 326386534 /nfs/dbraw/zinc/38/65/34/326386534.db2.gz AVWKCUQTIJXCKU-KDURUIRLSA-N 1 3 365.562 2.456 20 0 FEADHO CN(C)Cc1cccc(C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)c1 ZINC000126724309 326494079 /nfs/dbraw/zinc/49/40/79/326494079.db2.gz BVQJXPBQBZCNKX-IBGZPJMESA-N 1 3 371.481 2.302 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cc(Br)ccc1F ZINC000129363113 326539017 /nfs/dbraw/zinc/53/90/17/326539017.db2.gz YMKRMPPYRBWIBL-UHFFFAOYSA-N 1 3 374.298 2.083 20 0 FEADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000136631077 326653838 /nfs/dbraw/zinc/65/38/38/326653838.db2.gz JRRLABRVVWVZLN-BRWVUGGUSA-N 1 3 362.518 2.118 20 0 FEADHO CCC[NH+]1CCC(N2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)CC1 ZINC000156419402 326830534 /nfs/dbraw/zinc/83/05/34/326830534.db2.gz KYPLEXKUOLGJIV-UHFFFAOYSA-N 1 3 372.557 2.380 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N(C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000171534907 327144611 /nfs/dbraw/zinc/14/46/11/327144611.db2.gz LGKHNGMOBCGEJO-UHFFFAOYSA-N 1 3 358.530 2.383 20 0 FEADHO CC[N@H+](CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1)C1CC1 ZINC000172765780 327217969 /nfs/dbraw/zinc/21/79/69/327217969.db2.gz VRDJVIPIJYJRHD-UHFFFAOYSA-N 1 3 358.530 2.108 20 0 FEADHO CC[N@@H+](CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1)C1CC1 ZINC000172765780 327217970 /nfs/dbraw/zinc/21/79/70/327217970.db2.gz VRDJVIPIJYJRHD-UHFFFAOYSA-N 1 3 358.530 2.108 20 0 FEADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000173740620 327280150 /nfs/dbraw/zinc/28/01/50/327280150.db2.gz APUATVIIFRBADB-NRFANRHFSA-N 1 3 368.525 2.349 20 0 FEADHO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[C@H](N2CC=CC2)C1 ZINC000173852841 327289022 /nfs/dbraw/zinc/28/90/22/327289022.db2.gz MPIRAJKAPSRLMN-FQEVSTJZSA-N 1 3 354.498 2.091 20 0 FEADHO O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[C@H](N2CC=CC2)C1 ZINC000173852841 327289024 /nfs/dbraw/zinc/28/90/24/327289024.db2.gz MPIRAJKAPSRLMN-FQEVSTJZSA-N 1 3 354.498 2.091 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000174725012 327345911 /nfs/dbraw/zinc/34/59/11/327345911.db2.gz ATLJOIGAMPLMPY-LJQANCHMSA-N 1 3 370.541 2.108 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000174725012 327345913 /nfs/dbraw/zinc/34/59/13/327345913.db2.gz ATLJOIGAMPLMPY-LJQANCHMSA-N 1 3 370.541 2.108 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000175100143 327373946 /nfs/dbraw/zinc/37/39/46/327373946.db2.gz SMTKKONYGINTEY-XLIONFOSSA-N 1 3 358.530 2.383 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000175100143 327373947 /nfs/dbraw/zinc/37/39/47/327373947.db2.gz SMTKKONYGINTEY-XLIONFOSSA-N 1 3 358.530 2.383 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCSC(C)(C)C3)CC2)CC1 ZINC000175409972 327391222 /nfs/dbraw/zinc/39/12/22/327391222.db2.gz VPILESJHPJIOBZ-UHFFFAOYSA-N 1 3 354.564 2.082 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176035453 327429369 /nfs/dbraw/zinc/42/93/69/327429369.db2.gz PETAKTUQNFTGEA-MSOLQXFVSA-N 1 3 362.518 2.299 20 0 FEADHO CC(C)COC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000246747127 328642356 /nfs/dbraw/zinc/64/23/56/328642356.db2.gz XCWULCXXPZCULX-QWFCFKBJSA-N 1 3 356.551 2.231 20 0 FEADHO C[C@H](NC1(CNC(=O)CC[C@@H]2CC[NH2+]C2)CCOCC1)c1ccccc1 ZINC000261885849 328827196 /nfs/dbraw/zinc/82/71/96/328827196.db2.gz SJHYBRLFPNRQJT-ZWKOTPCHSA-N 1 3 359.514 2.392 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000262644185 328878418 /nfs/dbraw/zinc/87/84/18/328878418.db2.gz RXLIGIBKTXBJCC-MOPGFXCFSA-N 1 3 356.514 2.184 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@H]3Cc3ccccc3)CC2)CC1 ZINC000266770676 329258259 /nfs/dbraw/zinc/25/82/59/329258259.db2.gz PXIUTDBBMKQFLR-WIYYLYMNSA-N 1 3 370.541 2.475 20 0 FEADHO CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)/C=C/C[NH+](C)C ZINC000267487064 329332472 /nfs/dbraw/zinc/33/24/72/329332472.db2.gz DZZKQNTUUJTSOV-JRMCHAMMSA-N 1 3 359.514 2.008 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000268124409 329387843 /nfs/dbraw/zinc/38/78/43/329387843.db2.gz MMYCEOBXQWFEMT-DYESRHJHSA-N 1 3 370.541 2.475 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000272531392 329789001 /nfs/dbraw/zinc/78/90/01/329789001.db2.gz BBUXSSJMOQYVBR-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)N1[C@@H](C)CC[C@@H]1C ZINC000369342157 330242087 /nfs/dbraw/zinc/24/20/87/330242087.db2.gz IGLSXCVNUIJMBO-UGCZWRCOSA-N 1 3 351.535 2.253 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)N1[C@@H](C)CC[C@@H]1C ZINC000369342157 330242088 /nfs/dbraw/zinc/24/20/88/330242088.db2.gz IGLSXCVNUIJMBO-UGCZWRCOSA-N 1 3 351.535 2.253 20 0 FEADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000373639255 330247547 /nfs/dbraw/zinc/24/75/47/330247547.db2.gz OWGZSWOYLFQOKB-IBGZPJMESA-N 1 3 361.534 2.277 20 0 FEADHO CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000433152058 330273738 /nfs/dbraw/zinc/27/37/38/330273738.db2.gz QCEFZHFAFJVUEQ-QGZVFWFLSA-N 1 3 361.490 2.072 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000155613442 545549295 /nfs/dbraw/zinc/54/92/95/545549295.db2.gz WXRVMKPJHQRIHV-HXUWFJFHSA-N 1 3 358.574 2.309 20 0 FEADHO CN(C)CCOc1cc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)ccn1 ZINC000155650021 545554226 /nfs/dbraw/zinc/55/42/26/545554226.db2.gz ACQWYAJOHJZXRW-SFHVURJKSA-N 1 3 374.529 2.293 20 0 FEADHO CN(C)CCOc1cc(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)ccn1 ZINC000155650021 545554229 /nfs/dbraw/zinc/55/42/29/545554229.db2.gz ACQWYAJOHJZXRW-SFHVURJKSA-N 1 3 374.529 2.293 20 0 FEADHO Cc1ccc([C@H](CNC(=O)Nc2ccn(CC[NH+](C)C)n2)N(C)C)cc1 ZINC000156232279 545610113 /nfs/dbraw/zinc/61/01/13/545610113.db2.gz SBRWPPYBTJPXIG-KRWDZBQOSA-N 1 3 358.490 2.178 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000477494720 561146291 /nfs/dbraw/zinc/14/62/91/561146291.db2.gz AEFGPKLXVQTOAC-VQTJNVASSA-N 1 3 374.529 2.186 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000477494720 561146292 /nfs/dbraw/zinc/14/62/92/561146292.db2.gz AEFGPKLXVQTOAC-VQTJNVASSA-N 1 3 374.529 2.186 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000159157875 545927166 /nfs/dbraw/zinc/92/71/66/545927166.db2.gz ULDZUFQMVYWCIT-QFBILLFUSA-N 1 3 359.518 2.391 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000159157875 545927172 /nfs/dbraw/zinc/92/71/72/545927172.db2.gz ULDZUFQMVYWCIT-QFBILLFUSA-N 1 3 359.518 2.391 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000478589795 561170497 /nfs/dbraw/zinc/17/04/97/561170497.db2.gz FMVORZKLQZZOND-MRXNPFEDSA-N 1 3 362.518 2.251 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000478589795 561170498 /nfs/dbraw/zinc/17/04/98/561170498.db2.gz FMVORZKLQZZOND-MRXNPFEDSA-N 1 3 362.518 2.251 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000479374514 561188285 /nfs/dbraw/zinc/18/82/85/561188285.db2.gz BYSADUQENVBVTK-QFBILLFUSA-N 1 3 362.518 2.329 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000479374514 561188286 /nfs/dbraw/zinc/18/82/86/561188286.db2.gz BYSADUQENVBVTK-QFBILLFUSA-N 1 3 362.518 2.329 20 0 FEADHO CCN1CCN(CCC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000480060252 561202180 /nfs/dbraw/zinc/20/21/80/561202180.db2.gz OHRKECHIKQSLES-UHFFFAOYSA-N 1 3 352.567 2.175 20 0 FEADHO CC(C)C[NH+]1CCC(NC(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000176188482 546417430 /nfs/dbraw/zinc/41/74/30/546417430.db2.gz AGQKCMXOGQWSCY-UHFFFAOYSA-N 1 3 368.566 2.295 20 0 FEADHO CC[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCS1 ZINC000176381988 546438607 /nfs/dbraw/zinc/43/86/07/546438607.db2.gz FEGOZQVDQIAGNY-QGZVFWFLSA-N 1 3 354.564 2.082 20 0 FEADHO CN(CCc1cccs1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176382738 546438622 /nfs/dbraw/zinc/43/86/22/546438622.db2.gz YPEHXZSVWPHSMT-UHFFFAOYSA-N 1 3 364.559 2.491 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)c1 ZINC000177094402 546542431 /nfs/dbraw/zinc/54/24/31/546542431.db2.gz DEKAZZYHCSXDEQ-OALUTQOASA-N 1 3 370.541 2.249 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)CC2)c1 ZINC000177094402 546542435 /nfs/dbraw/zinc/54/24/35/546542435.db2.gz DEKAZZYHCSXDEQ-OALUTQOASA-N 1 3 370.541 2.249 20 0 FEADHO CC1CC[NH+](CCCCNC(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000481035927 561223421 /nfs/dbraw/zinc/22/34/21/561223421.db2.gz MENAEJQKHYSPDG-SFHVURJKSA-N 1 3 356.580 2.235 20 0 FEADHO CC1CC[NH+](CCCCNC(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000481035926 561223540 /nfs/dbraw/zinc/22/35/40/561223540.db2.gz MENAEJQKHYSPDG-GOSISDBHSA-N 1 3 356.580 2.235 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)C[C@H]3CCC[NH2+]3)CC2)c1 ZINC000178876351 546865035 /nfs/dbraw/zinc/86/50/35/546865035.db2.gz KVCDONCLHYYPIM-LJQANCHMSA-N 1 3 358.530 2.156 20 0 FEADHO CCO[C@@H]1C[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H]1OC ZINC000482506417 561255080 /nfs/dbraw/zinc/25/50/80/561255080.db2.gz ZGQPSVJEBRLHKD-CEWLAPEOSA-N 1 3 361.530 2.499 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483174556 561269616 /nfs/dbraw/zinc/26/96/16/561269616.db2.gz RBMAHZFBDUJWMV-MJGOQNOKSA-N 1 3 351.535 2.210 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483174556 561269617 /nfs/dbraw/zinc/26/96/17/561269617.db2.gz RBMAHZFBDUJWMV-MJGOQNOKSA-N 1 3 351.535 2.210 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NCc2cccc(-n3cncn3)c2)[C@H](C)C1 ZINC000483194459 561269878 /nfs/dbraw/zinc/26/98/78/561269878.db2.gz ITTDIQAFLKMTNK-YLJYHZDGSA-N 1 3 357.502 2.494 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NCc2cccc(-n3cncn3)c2)[C@H](C)C1 ZINC000483194459 561269879 /nfs/dbraw/zinc/26/98/79/561269879.db2.gz ITTDIQAFLKMTNK-YLJYHZDGSA-N 1 3 357.502 2.494 20 0 FEADHO CCN(C)c1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000483314301 561274085 /nfs/dbraw/zinc/27/40/85/561274085.db2.gz ZSJCVMBTOXCBLC-UHFFFAOYSA-N 1 3 359.562 2.387 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@H]2CCCN2C2CCCC2)C[C@H]1[NH+]1CCCC1 ZINC000483416249 561276580 /nfs/dbraw/zinc/27/65/80/561276580.db2.gz XEEGOUWKVYNNFL-KZNAEPCWSA-N 1 3 351.560 2.432 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)N2CCC(OC)CC2)C[C@H]1C ZINC000483762346 561283614 /nfs/dbraw/zinc/28/36/14/561283614.db2.gz RXVMDOUVCSZIJK-SJORKVTESA-N 1 3 368.566 2.390 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)N2CCC(OC)CC2)C[C@H]1C ZINC000483762346 561283615 /nfs/dbraw/zinc/28/36/15/561283615.db2.gz RXVMDOUVCSZIJK-SJORKVTESA-N 1 3 368.566 2.390 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000484012598 561289511 /nfs/dbraw/zinc/28/95/11/561289511.db2.gz PSDZZHGRPQAEBA-MOPGFXCFSA-N 1 3 359.514 2.202 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000183242631 547625549 /nfs/dbraw/zinc/62/55/49/547625549.db2.gz UWTJHLFKFXFBDC-MJGOQNOKSA-N 1 3 372.513 2.111 20 0 FEADHO CN(C)CCOc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccn1 ZINC000183242631 547625553 /nfs/dbraw/zinc/62/55/53/547625553.db2.gz UWTJHLFKFXFBDC-MJGOQNOKSA-N 1 3 372.513 2.111 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CCC([NH+](C)C)CC3)c2)CC1 ZINC000184898389 547895635 /nfs/dbraw/zinc/89/56/35/547895635.db2.gz AENLTXVFJVUHNO-UHFFFAOYSA-N 1 3 359.518 2.386 20 0 FEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21 ZINC000485453050 561319568 /nfs/dbraw/zinc/31/95/68/561319568.db2.gz IZYJEDZXPGEKNK-AQNXPRMDSA-N 1 3 356.514 2.387 20 0 FEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21 ZINC000485453050 561319569 /nfs/dbraw/zinc/31/95/69/561319569.db2.gz IZYJEDZXPGEKNK-AQNXPRMDSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000485692139 561325822 /nfs/dbraw/zinc/32/58/22/561325822.db2.gz KWKIYSBAMYHNNI-BPQIPLTHSA-N 1 3 357.498 2.289 20 0 FEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000485692139 561325823 /nfs/dbraw/zinc/32/58/23/561325823.db2.gz KWKIYSBAMYHNNI-BPQIPLTHSA-N 1 3 357.498 2.289 20 0 FEADHO CC[NH+](CC)CCSCC(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000487114033 561364194 /nfs/dbraw/zinc/36/41/94/561364194.db2.gz PLHXMTKFCYQVRB-HOTGVXAUSA-N 1 3 359.605 2.100 20 0 FEADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CNC[C@@H]1CCCO1 ZINC000236897912 548786783 /nfs/dbraw/zinc/78/67/83/548786783.db2.gz XLBOBRURPDYMRF-INIZCTEOSA-N 1 3 373.501 2.085 20 0 FEADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H]2CSCCN2)CC1 ZINC000237192301 548806640 /nfs/dbraw/zinc/80/66/40/548806640.db2.gz YWZLIEJDBYPYHA-LJQANCHMSA-N 1 3 361.555 2.452 20 0 FEADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H]2CSCCN2)CC1 ZINC000237192301 548806643 /nfs/dbraw/zinc/80/66/43/548806643.db2.gz YWZLIEJDBYPYHA-LJQANCHMSA-N 1 3 361.555 2.452 20 0 FEADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000237805259 548854409 /nfs/dbraw/zinc/85/44/09/548854409.db2.gz RAPSGGPVWWGFBE-SFTDATJTSA-N 1 3 351.494 2.237 20 0 FEADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000237805259 548854412 /nfs/dbraw/zinc/85/44/12/548854412.db2.gz RAPSGGPVWWGFBE-SFTDATJTSA-N 1 3 351.494 2.237 20 0 FEADHO C[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487832285 561376881 /nfs/dbraw/zinc/37/68/81/561376881.db2.gz DTTRGSBMVGMOFQ-YTQUADARSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487832285 561376882 /nfs/dbraw/zinc/37/68/82/561376882.db2.gz DTTRGSBMVGMOFQ-YTQUADARSA-N 1 3 356.514 2.433 20 0 FEADHO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C2)C1 ZINC000488394472 561389151 /nfs/dbraw/zinc/38/91/51/561389151.db2.gz FZDOFMQMRCOIKI-CTNGQTDRSA-N 1 3 356.514 2.388 20 0 FEADHO C[N@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C2)C1 ZINC000488394472 561389152 /nfs/dbraw/zinc/38/91/52/561389152.db2.gz FZDOFMQMRCOIKI-CTNGQTDRSA-N 1 3 356.514 2.388 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000246408915 549127019 /nfs/dbraw/zinc/12/70/19/549127019.db2.gz IALBKTIRIWQRPO-DLBZAZTESA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000246408915 549127023 /nfs/dbraw/zinc/12/70/23/549127023.db2.gz IALBKTIRIWQRPO-DLBZAZTESA-N 1 3 354.539 2.002 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000246833476 549224318 /nfs/dbraw/zinc/22/43/18/549224318.db2.gz APJMCWBPFRKLJV-LSDHHAIUSA-N 1 3 373.588 2.393 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000246833476 549224321 /nfs/dbraw/zinc/22/43/21/549224321.db2.gz APJMCWBPFRKLJV-LSDHHAIUSA-N 1 3 373.588 2.393 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCCN(C3CC3)CC2)[C@@H](C)C1 ZINC000247198277 549297387 /nfs/dbraw/zinc/29/73/87/549297387.db2.gz LQSXGLMKLSLEIN-PKOBYXMFSA-N 1 3 366.550 2.003 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCCN(C3CC3)CC2)[C@@H](C)C1 ZINC000247198277 549297389 /nfs/dbraw/zinc/29/73/89/549297389.db2.gz LQSXGLMKLSLEIN-PKOBYXMFSA-N 1 3 366.550 2.003 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247266257 549308927 /nfs/dbraw/zinc/30/89/27/549308927.db2.gz RXSGLJFUVPCBJQ-AZUAARDMSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247266257 549308928 /nfs/dbraw/zinc/30/89/28/549308928.db2.gz RXSGLJFUVPCBJQ-AZUAARDMSA-N 1 3 374.529 2.253 20 0 FEADHO [NH3+]C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000247318394 549316957 /nfs/dbraw/zinc/31/69/57/549316957.db2.gz SCGVYXMORVMXGX-DOTOQJQBSA-N 1 3 355.404 2.248 20 0 FEADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C(=O)N1CCOCC1 ZINC000248418983 549432850 /nfs/dbraw/zinc/43/28/50/549432850.db2.gz UHDUCXBBFHILSI-IVAOSVALSA-N 1 3 371.525 2.124 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC000248587587 549463957 /nfs/dbraw/zinc/46/39/57/549463957.db2.gz GNNSDEDXRDJTGL-YSIASYRMSA-N 1 3 356.514 2.026 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)c1nccs1 ZINC000248645418 549475251 /nfs/dbraw/zinc/47/52/51/549475251.db2.gz SGWVHMGAFUGVRV-HOTGVXAUSA-N 1 3 367.563 2.304 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)c1nccs1 ZINC000248645418 549475253 /nfs/dbraw/zinc/47/52/53/549475253.db2.gz SGWVHMGAFUGVRV-HOTGVXAUSA-N 1 3 367.563 2.304 20 0 FEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248790308 549502283 /nfs/dbraw/zinc/50/22/83/549502283.db2.gz XMMUSHLZGKSLDJ-RLLQIKCJSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248790308 549502285 /nfs/dbraw/zinc/50/22/85/549502285.db2.gz XMMUSHLZGKSLDJ-RLLQIKCJSA-N 1 3 358.530 2.490 20 0 FEADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)C[C@@H](C)O1 ZINC000248837935 549511635 /nfs/dbraw/zinc/51/16/35/549511635.db2.gz KNIKNQVWEXJTGE-JFIYKMOQSA-N 1 3 350.503 2.293 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000489558362 561414142 /nfs/dbraw/zinc/41/41/42/561414142.db2.gz WPFGLDSLRUBFOZ-YVWKXTFCSA-N 1 3 356.514 2.433 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000489558362 561414143 /nfs/dbraw/zinc/41/41/43/561414143.db2.gz WPFGLDSLRUBFOZ-YVWKXTFCSA-N 1 3 356.514 2.433 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)C1 ZINC000489608554 561415455 /nfs/dbraw/zinc/41/54/55/561415455.db2.gz QKSODZYBDQHIPD-WJFTUGDTSA-N 1 3 350.551 2.336 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)C1 ZINC000489608554 561415456 /nfs/dbraw/zinc/41/54/56/561415456.db2.gz QKSODZYBDQHIPD-WJFTUGDTSA-N 1 3 350.551 2.336 20 0 FEADHO C[C@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249760922 549625718 /nfs/dbraw/zinc/62/57/18/549625718.db2.gz WOYPQNOBJSJCPJ-GUDVDZBRSA-N 1 3 372.557 2.312 20 0 FEADHO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C[C@H]1CCC[NH2+]C1 ZINC000261652241 549739051 /nfs/dbraw/zinc/73/90/51/549739051.db2.gz BCKFATROFUTKQU-CVEARBPZSA-N 1 3 351.516 2.219 20 0 FEADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](N)C3CCOCC3)cc2)C1 ZINC000261714032 549746837 /nfs/dbraw/zinc/74/68/37/549746837.db2.gz IXLVLPJEOPYKNO-OXQOHEQNSA-N 1 3 359.514 2.289 20 0 FEADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](N)C3CCOCC3)cc2)C1 ZINC000261714032 549746839 /nfs/dbraw/zinc/74/68/39/549746839.db2.gz IXLVLPJEOPYKNO-OXQOHEQNSA-N 1 3 359.514 2.289 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000261867410 549764253 /nfs/dbraw/zinc/76/42/53/549764253.db2.gz XNEXPLFTMHVZHQ-XUVXKRRUSA-N 1 3 359.514 2.066 20 0 FEADHO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)O1 ZINC000261899241 549767815 /nfs/dbraw/zinc/76/78/15/549767815.db2.gz WIVBBMKLOXRXPM-SVFBPWRDSA-N 1 3 357.498 2.007 20 0 FEADHO N[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCOCC1 ZINC000261911274 549768893 /nfs/dbraw/zinc/76/88/93/549768893.db2.gz XQSONHHNKODQSW-RAFMOHDBSA-N 1 3 357.498 2.052 20 0 FEADHO N[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCOCC1 ZINC000261911274 549768898 /nfs/dbraw/zinc/76/88/98/549768898.db2.gz XQSONHHNKODQSW-RAFMOHDBSA-N 1 3 357.498 2.052 20 0 FEADHO COC[C@@H]1C[C@@H](OC)CN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000490229029 561429150 /nfs/dbraw/zinc/42/91/50/561429150.db2.gz DRSKZHIWPLYJLD-VQTJNVASSA-N 1 3 361.530 2.453 20 0 FEADHO COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000262050242 549783821 /nfs/dbraw/zinc/78/38/21/549783821.db2.gz ZLOHCKYEBLCVKC-SFHVURJKSA-N 1 3 365.905 2.171 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2c[nH]nc2-c2ccsc2)C1)[C@@H]1CCC[NH2+]1 ZINC000262047608 549783830 /nfs/dbraw/zinc/78/38/30/549783830.db2.gz ZDMCKNNNPGPBMU-PBHICJAKSA-N 1 3 373.526 2.218 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2c[nH]nc2-c2ccsc2)C1)[C@H]1CCC[NH2+]1 ZINC000262047615 549784056 /nfs/dbraw/zinc/78/40/56/549784056.db2.gz ZDMCKNNNPGPBMU-WMLDXEAASA-N 1 3 373.526 2.218 20 0 FEADHO COc1ccc([C@H](CNC(=O)NCC[N@@H+](C)C2CC2)N2CCCC2)cc1 ZINC000490325815 561430906 /nfs/dbraw/zinc/43/09/06/561430906.db2.gz CWSHIZNYYGOBLL-IBGZPJMESA-N 1 3 360.502 2.226 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NCC[N@@H+](C)C2CC2)N2CCCC2)cc1 ZINC000490325817 561430966 /nfs/dbraw/zinc/43/09/66/561430966.db2.gz CWSHIZNYYGOBLL-LJQANCHMSA-N 1 3 360.502 2.226 20 0 FEADHO COCC1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[NH2+]CC1 ZINC000262445316 549820500 /nfs/dbraw/zinc/82/05/00/549820500.db2.gz YPTRRWVLKKOMSM-LJQANCHMSA-N 1 3 359.514 2.174 20 0 FEADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)C1 ZINC000263169256 549882775 /nfs/dbraw/zinc/88/27/75/549882775.db2.gz FNZGNWROYZRAAU-GOSISDBHSA-N 1 3 372.513 2.102 20 0 FEADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)C1 ZINC000263169261 549882841 /nfs/dbraw/zinc/88/28/41/549882841.db2.gz FNZGNWROYZRAAU-SFHVURJKSA-N 1 3 372.513 2.102 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263195688 549885241 /nfs/dbraw/zinc/88/52/41/549885241.db2.gz IJWRJBPMUAXPAF-RBBKRZOGSA-N 1 3 372.557 2.348 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(C(C)=O)cc1 ZINC000263796092 549938525 /nfs/dbraw/zinc/93/85/25/549938525.db2.gz KWSUMUVXKXPHCI-FQEVSTJZSA-N 1 3 359.514 2.306 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(C(C)=O)cc1 ZINC000263796092 549938527 /nfs/dbraw/zinc/93/85/27/549938527.db2.gz KWSUMUVXKXPHCI-FQEVSTJZSA-N 1 3 359.514 2.306 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)COc2ccccc2)[C@@H](C)C1 ZINC000268743244 550111416 /nfs/dbraw/zinc/11/14/16/550111416.db2.gz DPEWGEBVSKFTKA-BJLQDIEVSA-N 1 3 350.503 2.153 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)COc2ccccc2)[C@@H](C)C1 ZINC000268743244 550111418 /nfs/dbraw/zinc/11/14/18/550111418.db2.gz DPEWGEBVSKFTKA-BJLQDIEVSA-N 1 3 350.503 2.153 20 0 FEADHO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)CC1 ZINC000268864495 550124660 /nfs/dbraw/zinc/12/46/60/550124660.db2.gz SKQKZNYMFMRMTI-SQGPQFPESA-N 1 3 358.530 2.173 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000269215050 550168267 /nfs/dbraw/zinc/16/82/67/550168267.db2.gz QPDUOIDVTHPLDJ-MOPGFXCFSA-N 1 3 358.530 2.011 20 0 FEADHO CN1CCN(CCCNC(=O)CCCCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000269303500 550178523 /nfs/dbraw/zinc/17/85/23/550178523.db2.gz RRHSUTACGQVLJS-FQEVSTJZSA-N 1 3 360.546 2.391 20 0 FEADHO CC(C)[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000493382119 561455777 /nfs/dbraw/zinc/45/57/77/561455777.db2.gz DBCOGWJPQRSNOT-FQEVSTJZSA-N 1 3 358.530 2.496 20 0 FEADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000270899663 550318892 /nfs/dbraw/zinc/31/88/92/550318892.db2.gz RZEIVKKFUAAZGE-SFTDATJTSA-N 1 3 371.525 2.248 20 0 FEADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000270899663 550318894 /nfs/dbraw/zinc/31/88/94/550318894.db2.gz RZEIVKKFUAAZGE-SFTDATJTSA-N 1 3 371.525 2.248 20 0 FEADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000271651133 550392502 /nfs/dbraw/zinc/39/25/02/550392502.db2.gz BCCDXDIHWZGQBG-RTBURBONSA-N 1 3 368.543 2.115 20 0 FEADHO CCN1CCN(CCC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272292802 550435095 /nfs/dbraw/zinc/43/50/95/550435095.db2.gz OHGRMJSGSPKWHZ-TZIWHRDSSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN(CCC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272292802 550435097 /nfs/dbraw/zinc/43/50/97/550435097.db2.gz OHGRMJSGSPKWHZ-TZIWHRDSSA-N 1 3 372.557 2.041 20 0 FEADHO C[C@H](NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1)C1=CCN(C)CC1 ZINC000272637160 550462229 /nfs/dbraw/zinc/46/22/29/550462229.db2.gz AQXFEGIHVCOPIQ-KRWDZBQOSA-N 1 3 374.529 2.119 20 0 FEADHO CN1CC=C(CNc2ncc(Cl)c(NCC3=CC[N@H+](C)CC3)n2)CC1 ZINC000273687763 550508215 /nfs/dbraw/zinc/50/82/15/550508215.db2.gz AZKOZAUKTUDZPU-UHFFFAOYSA-N 1 3 362.909 2.478 20 0 FEADHO CN1CC=C(CNc2ncc(Cl)c(NCC3=CC[N@@H+](C)CC3)n2)CC1 ZINC000273687763 550508216 /nfs/dbraw/zinc/50/82/16/550508216.db2.gz AZKOZAUKTUDZPU-UHFFFAOYSA-N 1 3 362.909 2.478 20 0 FEADHO CC(C)[C@@H](C(=O)NCc1ccncc1OCC[NH+](C)C)N1CCCCC1 ZINC000494756882 561475906 /nfs/dbraw/zinc/47/59/06/561475906.db2.gz JRLZWQUWFYJYAH-IBGZPJMESA-N 1 3 362.518 2.149 20 0 FEADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280733436 551026341 /nfs/dbraw/zinc/02/63/41/551026341.db2.gz HDSYFCGYOFFRDH-WIYYLYMNSA-N 1 3 357.498 2.219 20 0 FEADHO CN1CCN(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000281714289 551133832 /nfs/dbraw/zinc/13/38/32/551133832.db2.gz HYTSVKUWFJEPED-FQEVSTJZSA-N 1 3 372.557 2.041 20 0 FEADHO CN1CCN(CCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000281714289 551133834 /nfs/dbraw/zinc/13/38/34/551133834.db2.gz HYTSVKUWFJEPED-FQEVSTJZSA-N 1 3 372.557 2.041 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)Cc2ccccc2C1 ZINC000497489664 561501775 /nfs/dbraw/zinc/50/17/75/561501775.db2.gz OHXHXNVZLJXKNG-WOJBJXKFSA-N 1 3 370.541 2.211 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)Cc2ccccc2C1 ZINC000497489664 561501776 /nfs/dbraw/zinc/50/17/76/561501776.db2.gz OHXHXNVZLJXKNG-WOJBJXKFSA-N 1 3 370.541 2.211 20 0 FEADHO CCC[C@](C)([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000498075876 561515568 /nfs/dbraw/zinc/51/55/68/561515568.db2.gz DDFTXLJHBRQMRF-IBGZPJMESA-N 1 3 351.466 2.303 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@H]2C(=O)NC)CC1 ZINC000498369456 561523645 /nfs/dbraw/zinc/52/36/45/561523645.db2.gz PLUSYPFYYNNQIL-RTBURBONSA-N 1 3 358.530 2.223 20 0 FEADHO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCN(C)CC[C@H]3C)cc2)CC1 ZINC000498711968 561532444 /nfs/dbraw/zinc/53/24/44/561532444.db2.gz WADABZZPUSDWTA-GOSISDBHSA-N 1 3 358.530 2.383 20 0 FEADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286373640 551880079 /nfs/dbraw/zinc/88/00/79/551880079.db2.gz ZSXQAMBOJCDKKO-HUUCEWRRSA-N 1 3 359.470 2.169 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287291074 551985933 /nfs/dbraw/zinc/98/59/33/551985933.db2.gz UQNQKCARDVLBEF-GURQWTFNSA-N 1 3 358.530 2.426 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287291074 551985935 /nfs/dbraw/zinc/98/59/35/551985935.db2.gz UQNQKCARDVLBEF-GURQWTFNSA-N 1 3 358.530 2.426 20 0 FEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000289863229 552391183 /nfs/dbraw/zinc/39/11/83/552391183.db2.gz CWXCYEWLLLITGG-WOJBJXKFSA-N 1 3 358.530 2.093 20 0 FEADHO Cc1cn[nH]c1CNCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000289973236 552407783 /nfs/dbraw/zinc/40/77/83/552407783.db2.gz RGDJGHNHEZPUKU-UHFFFAOYSA-N 1 3 358.486 2.498 20 0 FEADHO Cc1cn[nH]c1CNCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000289973236 552407784 /nfs/dbraw/zinc/40/77/84/552407784.db2.gz RGDJGHNHEZPUKU-UHFFFAOYSA-N 1 3 358.486 2.498 20 0 FEADHO O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)C12CCC[NH+]1CCC2 ZINC000290265013 552450705 /nfs/dbraw/zinc/45/07/05/552450705.db2.gz BHCLUUMUBVFNNL-HXUWFJFHSA-N 1 3 371.525 2.177 20 0 FEADHO COc1cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc(OC)c1O ZINC000290319279 552459462 /nfs/dbraw/zinc/45/94/62/552459462.db2.gz JLDQPZPASIEGCK-GOSISDBHSA-N 1 3 372.465 2.266 20 0 FEADHO COc1cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc(OC)c1O ZINC000290319279 552459463 /nfs/dbraw/zinc/45/94/63/552459463.db2.gz JLDQPZPASIEGCK-GOSISDBHSA-N 1 3 372.465 2.266 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CN1Cc1ccccc1 ZINC000292593426 552741311 /nfs/dbraw/zinc/74/13/11/552741311.db2.gz MOFNMMXJOBEOSN-QFUCXCTJSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CN1Cc1ccccc1 ZINC000292593426 552741312 /nfs/dbraw/zinc/74/13/12/552741312.db2.gz MOFNMMXJOBEOSN-QFUCXCTJSA-N 1 3 356.514 2.387 20 0 FEADHO COc1cc(CN2C[C@H](O)C(C)(C)C2)cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1 ZINC000292982005 552777362 /nfs/dbraw/zinc/77/73/62/552777362.db2.gz RDQWAYSNBCIXHE-OALUTQOASA-N 1 3 362.514 2.101 20 0 FEADHO COc1cc(CN2C[C@H](O)C(C)(C)C2)cc(C[N@H+]2C[C@H](O)C(C)(C)C2)c1 ZINC000292982005 552777363 /nfs/dbraw/zinc/77/73/63/552777363.db2.gz RDQWAYSNBCIXHE-OALUTQOASA-N 1 3 362.514 2.101 20 0 FEADHO C[C@H]1CCC[N@H+](CCNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000501549109 561600275 /nfs/dbraw/zinc/60/02/75/561600275.db2.gz IASCMMYYUMZWAO-KRWDZBQOSA-N 1 3 368.591 2.379 20 0 FEADHO C[C@H]1CCC[N@@H+](CCNC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000501549109 561600276 /nfs/dbraw/zinc/60/02/76/561600276.db2.gz IASCMMYYUMZWAO-KRWDZBQOSA-N 1 3 368.591 2.379 20 0 FEADHO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000293520673 552831974 /nfs/dbraw/zinc/83/19/74/552831974.db2.gz CZTFNLDJWROMSI-AEFFLSMTSA-N 1 3 351.516 2.243 20 0 FEADHO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(CN4CCC(CO)CC4)cc3)C2)C1 ZINC000294031990 552876897 /nfs/dbraw/zinc/87/68/97/552876897.db2.gz ZZQCSOZJTJXIMV-QFIPXVFZSA-N 1 3 371.525 2.059 20 0 FEADHO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(CN4CCC(CO)CC4)cc3)C2)C1 ZINC000294031990 552876898 /nfs/dbraw/zinc/87/68/98/552876898.db2.gz ZZQCSOZJTJXIMV-QFIPXVFZSA-N 1 3 371.525 2.059 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000294096852 552881537 /nfs/dbraw/zinc/88/15/37/552881537.db2.gz NDLKRXHJDKGFBE-TZIWHRDSSA-N 1 3 372.557 2.388 20 0 FEADHO CCN(CC[NH+]1CCCCCC1)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000502886689 561629016 /nfs/dbraw/zinc/62/90/16/561629016.db2.gz YSWQZFADAJWNPU-LJQANCHMSA-N 1 3 368.566 2.395 20 0 FEADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000503199180 561636560 /nfs/dbraw/zinc/63/65/60/561636560.db2.gz ODNSLYVDYSORPH-SQNIBIBYSA-N 1 3 359.580 2.148 20 0 FEADHO CN(C)S(=O)(=O)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298324697 553412499 /nfs/dbraw/zinc/41/24/99/553412499.db2.gz IOJWWGZSYISHAO-UHFFFAOYSA-N 1 3 374.510 2.091 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)N2CCCC2)cc1 ZINC000503501649 561643015 /nfs/dbraw/zinc/64/30/15/561643015.db2.gz GMGOAYFFBUMTOW-XLIONFOSSA-N 1 3 372.513 2.368 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)N2CCCC2)cc1 ZINC000503501649 561643016 /nfs/dbraw/zinc/64/30/16/561643016.db2.gz GMGOAYFFBUMTOW-XLIONFOSSA-N 1 3 372.513 2.368 20 0 FEADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000504549196 561659700 /nfs/dbraw/zinc/65/97/00/561659700.db2.gz ZRFMSQANWYSBJH-NEPXVJNWSA-N 1 3 371.591 2.337 20 0 FEADHO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506851455 561710309 /nfs/dbraw/zinc/71/03/09/561710309.db2.gz OFPMWWLVEDZJOD-FUHWJXTLSA-N 1 3 363.452 2.497 20 0 FEADHO O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506851455 561710310 /nfs/dbraw/zinc/71/03/10/561710310.db2.gz OFPMWWLVEDZJOD-FUHWJXTLSA-N 1 3 363.452 2.497 20 0 FEADHO CN1CCC2(CC1)C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccccc1O2 ZINC000330270257 554096401 /nfs/dbraw/zinc/09/64/01/554096401.db2.gz TWAQQFXOHHNTFN-MOPGFXCFSA-N 1 3 360.498 2.352 20 0 FEADHO O=C(CC1(N2CCOCC2)CCCC1)NCCCCC[NH+]1CCCC1 ZINC000508174929 561753914 /nfs/dbraw/zinc/75/39/14/561753914.db2.gz HDRQECCIBYGKCR-UHFFFAOYSA-N 1 3 351.535 2.404 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CCC4(CC[NH2+]4)CC3)c(C)c2)CC1 ZINC000333287111 554599136 /nfs/dbraw/zinc/59/91/36/554599136.db2.gz NREOZMMOHIUWES-UHFFFAOYSA-N 1 3 371.529 2.497 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)c2)CC1 ZINC000333321981 554602430 /nfs/dbraw/zinc/60/24/30/554602430.db2.gz NCJZRORVXKPEDF-ZYSHUDEJSA-N 1 3 357.502 2.030 20 0 FEADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC3(N4CCSCC4)CCCCC3)C[C@H]12 ZINC000333463159 554615697 /nfs/dbraw/zinc/61/56/97/554615697.db2.gz ZLBPJOPBUROWOA-IXDOHACOSA-N 1 3 366.575 2.117 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333529120 554621486 /nfs/dbraw/zinc/62/14/86/554621486.db2.gz HRXQAXFCCSRJLE-HXUWFJFHSA-N 1 3 357.502 2.083 20 0 FEADHO C[C@H]1CN(C(=O)NCC2CCN(Cc3cccs3)CC2)CC[C@@H]1[NH3+] ZINC000333826829 554647284 /nfs/dbraw/zinc/64/72/84/554647284.db2.gz RZPDEIMXTOAMOG-YOEHRIQHSA-N 1 3 350.532 2.339 20 0 FEADHO C[C@H]1CN(C(=O)NCC2CCN(Cc3cccs3)CC2)CC[C@H]1[NH3+] ZINC000333826828 554647370 /nfs/dbraw/zinc/64/73/70/554647370.db2.gz RZPDEIMXTOAMOG-WMLDXEAASA-N 1 3 350.532 2.339 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C2=CCN(C)CC2)[C@@H](C)C1 ZINC000511271877 561863343 /nfs/dbraw/zinc/86/33/43/561863343.db2.gz GHYYTRJEOKJLTI-SCTDSRPQSA-N 1 3 366.550 2.073 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C2=CCN(C)CC2)[C@@H](C)C1 ZINC000511271877 561863344 /nfs/dbraw/zinc/86/33/44/561863344.db2.gz GHYYTRJEOKJLTI-SCTDSRPQSA-N 1 3 366.550 2.073 20 0 FEADHO CN(CCN(C)[C@H]1CCCN(Cc2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000362006214 554943579 /nfs/dbraw/zinc/94/35/79/554943579.db2.gz ZMDUAUBSCUXGKQ-NRFANRHFSA-N 1 3 372.557 2.135 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCCN1CCCC[C@@H]1C ZINC000363678598 555162099 /nfs/dbraw/zinc/16/20/99/555162099.db2.gz LZSGBECWIFIJSQ-YDZRNGNQSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCCN1CCCC[C@@H]1C ZINC000363678598 555162100 /nfs/dbraw/zinc/16/21/00/555162100.db2.gz LZSGBECWIFIJSQ-YDZRNGNQSA-N 1 3 366.550 2.049 20 0 FEADHO Cc1nn(C)c2ncc(CN3CCC(C)(C[NH+]4CCN(C)CC4)CC3)cc12 ZINC000363799429 555188520 /nfs/dbraw/zinc/18/85/20/555188520.db2.gz KSWODTTVPDZBRV-UHFFFAOYSA-N 1 3 370.545 2.126 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@@H]2CSC[C@H]2C)CC1 ZINC000512176628 561894740 /nfs/dbraw/zinc/89/47/40/561894740.db2.gz DDZMXAKLRFCKCH-VQIMIIECSA-N 1 3 361.555 2.417 20 0 FEADHO CN1CC[C@@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)[C@@H]1c1cccs1 ZINC000364327626 555292052 /nfs/dbraw/zinc/29/20/52/555292052.db2.gz PGJMJKASXJMHTD-ZMSDIMECSA-N 1 3 350.532 2.477 20 0 FEADHO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000512477815 561906863 /nfs/dbraw/zinc/90/68/63/561906863.db2.gz ABDZDZIKNUUAKJ-YSIASYRMSA-N 1 3 361.530 2.421 20 0 FEADHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000364662636 555366360 /nfs/dbraw/zinc/36/63/60/555366360.db2.gz MLLLBAPZAAIOKR-KANFNMMFSA-N 1 3 359.518 2.102 20 0 FEADHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000364662636 555366364 /nfs/dbraw/zinc/36/63/64/555366364.db2.gz MLLLBAPZAAIOKR-KANFNMMFSA-N 1 3 359.518 2.102 20 0 FEADHO C[C@@H](CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)C[NH+]1CCCC1 ZINC000364706571 555380229 /nfs/dbraw/zinc/38/02/29/555380229.db2.gz NSHHEZDVLASBCA-WDSOQIARSA-N 1 3 359.518 2.106 20 0 FEADHO C[C@H]1C[C@@H](CNC(=O)NCC2=CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000364848209 555414361 /nfs/dbraw/zinc/41/43/61/555414361.db2.gz BEVWIKOCJVZQIT-PXNSSMCTSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@H]1C[C@@H](CNC(=O)NCC2=CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000364848209 555414363 /nfs/dbraw/zinc/41/43/63/555414363.db2.gz BEVWIKOCJVZQIT-PXNSSMCTSA-N 1 3 356.514 2.458 20 0 FEADHO C[N@H+]1CC=C(CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000366251875 555793212 /nfs/dbraw/zinc/79/32/12/555793212.db2.gz JRSCLEAVUPIXKI-UHFFFAOYSA-N 1 3 374.451 2.353 20 0 FEADHO C[N@@H+]1CC=C(CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000366251875 555793215 /nfs/dbraw/zinc/79/32/15/555793215.db2.gz JRSCLEAVUPIXKI-UHFFFAOYSA-N 1 3 374.451 2.353 20 0 FEADHO CN(C)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000514748328 561977483 /nfs/dbraw/zinc/97/74/83/561977483.db2.gz PIHDVHOFNJHJBG-JIRNRHONSA-N 1 3 358.530 2.426 20 0 FEADHO CN(C)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000514748328 561977484 /nfs/dbraw/zinc/97/74/84/561977484.db2.gz PIHDVHOFNJHJBG-JIRNRHONSA-N 1 3 358.530 2.426 20 0 FEADHO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1 ZINC000367482806 556062570 /nfs/dbraw/zinc/06/25/70/556062570.db2.gz IBFTTYDWRYNOIB-KBAYOESNSA-N 1 3 360.502 2.282 20 0 FEADHO CCN1CC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000367596316 556093347 /nfs/dbraw/zinc/09/33/47/556093347.db2.gz GZCIUYCQEMTQLT-BPQIPLTHSA-N 1 3 367.534 2.332 20 0 FEADHO CC[N@@H+]1CC[C@H](CN[C@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000367596316 556093349 /nfs/dbraw/zinc/09/33/49/556093349.db2.gz GZCIUYCQEMTQLT-BPQIPLTHSA-N 1 3 367.534 2.332 20 0 FEADHO CC[N@H+]1CC[C@H](CN[C@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000367596316 556093351 /nfs/dbraw/zinc/09/33/51/556093351.db2.gz GZCIUYCQEMTQLT-BPQIPLTHSA-N 1 3 367.534 2.332 20 0 FEADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000367618166 556098298 /nfs/dbraw/zinc/09/82/98/556098298.db2.gz RVDHWCQBYCOYSE-AEFFLSMTSA-N 1 3 351.514 2.488 20 0 FEADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000367618168 556098395 /nfs/dbraw/zinc/09/83/95/556098395.db2.gz RVDHWCQBYCOYSE-SJLPKXTDSA-N 1 3 351.514 2.488 20 0 FEADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3CCC4(CC3)NC(=O)NC4=O)CC2)C1 ZINC000367689367 556115280 /nfs/dbraw/zinc/11/52/80/556115280.db2.gz UXAGTTCKHKJBAQ-RDFYBTABSA-N 1 3 362.518 2.140 20 0 FEADHO COc1cc(C[C@H](CO)CNC2CC[NH+](C(C)C)CC2)cc(OC)c1 ZINC000531993701 562463408 /nfs/dbraw/zinc/46/34/08/562463408.db2.gz ZPGDYFINJIVKCP-KRWDZBQOSA-N 1 3 350.503 2.317 20 0 FEADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000369025736 556480647 /nfs/dbraw/zinc/48/06/47/556480647.db2.gz FDLGTKNTWKODKR-VQTJNVASSA-N 1 3 374.529 2.191 20 0 FEADHO C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCC(C[NH+](C)C)CC1 ZINC000369190716 556530766 /nfs/dbraw/zinc/53/07/66/556530766.db2.gz AWSSBGPWOBAZSS-NQIIRXRSSA-N 1 3 372.557 2.039 20 0 FEADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000369400827 556591066 /nfs/dbraw/zinc/59/10/66/556591066.db2.gz JGXCDMODOPUFQB-BHIYHBOVSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000369400827 556591068 /nfs/dbraw/zinc/59/10/68/556591068.db2.gz JGXCDMODOPUFQB-BHIYHBOVSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000516182182 562034599 /nfs/dbraw/zinc/03/45/99/562034599.db2.gz LXRNZEYMNPITKM-YESZJQIVSA-N 1 3 370.497 2.072 20 0 FEADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000369669055 556663506 /nfs/dbraw/zinc/66/35/06/556663506.db2.gz WODDBICSZABCPB-ZGXWSNOMSA-N 1 3 356.514 2.415 20 0 FEADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000369669055 556663511 /nfs/dbraw/zinc/66/35/11/556663511.db2.gz WODDBICSZABCPB-ZGXWSNOMSA-N 1 3 356.514 2.415 20 0 FEADHO C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000369860981 556714835 /nfs/dbraw/zinc/71/48/35/556714835.db2.gz RGQMVEAVGOGULH-RLLQIKCJSA-N 1 3 354.498 2.260 20 0 FEADHO CN1CCC(N2CC[C@H]([NH2+]C3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000370110145 556783221 /nfs/dbraw/zinc/78/32/21/556783221.db2.gz HCOCQSCSWFGSRS-KRWDZBQOSA-N 1 3 366.550 2.144 20 0 FEADHO Cc1csc(=O)n1CCN1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000370208268 556811216 /nfs/dbraw/zinc/81/12/16/556811216.db2.gz REKORXNJSHQEBZ-CALCHBBNSA-N 1 3 367.559 2.430 20 0 FEADHO Cc1csc(=O)n1CCN1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000370208268 556811220 /nfs/dbraw/zinc/81/12/20/556811220.db2.gz REKORXNJSHQEBZ-CALCHBBNSA-N 1 3 367.559 2.430 20 0 FEADHO Cc1csc(=O)n1CCN1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000370208270 556811626 /nfs/dbraw/zinc/81/16/26/556811626.db2.gz REKORXNJSHQEBZ-IRXDYDNUSA-N 1 3 367.559 2.430 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000516860524 562060866 /nfs/dbraw/zinc/06/08/66/562060866.db2.gz KHJUBMIRFNHWNM-RZDIXWSQSA-N 1 3 368.472 2.346 20 0 FEADHO C[N@@H+]1C[C@@H]2CN(C(=O)C3(N)Cc4ccccc4C3)C[C@@H]2[C@H]1c1ccccc1 ZINC000370770931 556962826 /nfs/dbraw/zinc/96/28/26/556962826.db2.gz FOXFUKHYCLOOFK-QHAWAJNXSA-N 1 3 361.489 2.244 20 0 FEADHO C[N@H+]1C[C@@H]2CN(C(=O)C3(N)Cc4ccccc4C3)C[C@@H]2[C@H]1c1ccccc1 ZINC000370770931 556962828 /nfs/dbraw/zinc/96/28/28/556962828.db2.gz FOXFUKHYCLOOFK-QHAWAJNXSA-N 1 3 361.489 2.244 20 0 FEADHO O=C(Nc1ccc2c(c1)CNCC2)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000370794750 556971360 /nfs/dbraw/zinc/97/13/60/556971360.db2.gz XXSZLGFBPKJZKJ-UHFFFAOYSA-N 1 3 353.470 2.267 20 0 FEADHO CC(C)N1CCN(C2CCN(C(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000371349085 557155829 /nfs/dbraw/zinc/15/58/29/557155829.db2.gz FPHBDRGOUZCDMK-FHWLQOOXSA-N 1 3 364.578 2.265 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000371722643 557274638 /nfs/dbraw/zinc/27/46/38/557274638.db2.gz GFHAAFPBSVHNSF-FXAWDEMLSA-N 1 3 374.529 2.232 20 0 FEADHO C[C@H]1CCC[N@H+]1C1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000372081205 557374602 /nfs/dbraw/zinc/37/46/02/557374602.db2.gz XNPVXLFHLOBUTD-SFHVURJKSA-N 1 3 363.546 2.497 20 0 FEADHO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000372081205 557374600 /nfs/dbraw/zinc/37/46/00/557374600.db2.gz XNPVXLFHLOBUTD-SFHVURJKSA-N 1 3 363.546 2.497 20 0 FEADHO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000372468002 557478730 /nfs/dbraw/zinc/47/87/30/557478730.db2.gz BBJGXZDBGZNHHS-WOJBJXKFSA-N 1 3 358.530 2.492 20 0 FEADHO OC1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)Cc2ccccc2C1 ZINC000519537689 562134004 /nfs/dbraw/zinc/13/40/04/562134004.db2.gz DGFWYFHIVXJSMC-DENIHFKCSA-N 1 3 350.462 2.362 20 0 FEADHO CCN1CCC([NH+]2CCC(C(=O)N3[C@H](C)CN(CC)C[C@H]3C)CC2)CC1 ZINC000519606913 562136881 /nfs/dbraw/zinc/13/68/81/562136881.db2.gz GSKQEJCJVLCQMM-QZTJIDSGSA-N 1 3 364.578 2.124 20 0 FEADHO CN1CC[C@@H](CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1c1cccnc1 ZINC000372997966 557606520 /nfs/dbraw/zinc/60/65/20/557606520.db2.gz FLVKFJWWVAMZAO-VJANTYMQSA-N 1 3 357.502 2.000 20 0 FEADHO CN1CC[C@@H](CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1c1cccnc1 ZINC000372997966 557606521 /nfs/dbraw/zinc/60/65/21/557606521.db2.gz FLVKFJWWVAMZAO-VJANTYMQSA-N 1 3 357.502 2.000 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000373495374 557704608 /nfs/dbraw/zinc/70/46/08/557704608.db2.gz OXNZEHOXGFXGBA-RHSMWYFYSA-N 1 3 350.532 2.477 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000373495374 557704609 /nfs/dbraw/zinc/70/46/09/557704609.db2.gz OXNZEHOXGFXGBA-RHSMWYFYSA-N 1 3 350.532 2.477 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC2(C[NH+](C)C)CCC2)CC1 ZINC000373986386 557801420 /nfs/dbraw/zinc/80/14/20/557801420.db2.gz PSKXMKDWSVODCQ-MRXNPFEDSA-N 1 3 359.518 2.391 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCC(F)(F)F)CC2)CC1 ZINC000374122532 557827435 /nfs/dbraw/zinc/82/74/35/557827435.db2.gz XRDRSRFEEDDTSK-UHFFFAOYSA-N 1 3 350.429 2.187 20 0 FEADHO CCN1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCCN3CC)CC2)CC1 ZINC000521065452 562168999 /nfs/dbraw/zinc/16/89/99/562168999.db2.gz VVRFCHLFSNHVIR-HXUWFJFHSA-N 1 3 364.578 2.173 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000374919713 557951652 /nfs/dbraw/zinc/95/16/52/557951652.db2.gz YVOKZKUEVMZMLZ-PKOBYXMFSA-N 1 3 371.591 2.244 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000374919713 557951654 /nfs/dbraw/zinc/95/16/54/557951654.db2.gz YVOKZKUEVMZMLZ-PKOBYXMFSA-N 1 3 371.591 2.244 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)CC1 ZINC000375021501 557965557 /nfs/dbraw/zinc/96/55/57/557965557.db2.gz PUJWBEPRMBZFGD-FQEVSTJZSA-N 1 3 356.514 2.255 20 0 FEADHO CN1CC=C(CNC(=O)NC[C@@H]2CCC[N@H+]2CCc2ccccc2)CC1 ZINC000375021501 557965559 /nfs/dbraw/zinc/96/55/59/557965559.db2.gz PUJWBEPRMBZFGD-FQEVSTJZSA-N 1 3 356.514 2.255 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3scnc3C)CC2)CC1 ZINC000521270291 562173386 /nfs/dbraw/zinc/17/33/86/562173386.db2.gz LAGAWCBGDLLPHU-UHFFFAOYSA-N 1 3 364.559 2.307 20 0 FEADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CCCCN1C1CCCC1 ZINC000375427450 558024997 /nfs/dbraw/zinc/02/49/97/558024997.db2.gz TZVQJNIOOQITMT-XLIONFOSSA-N 1 3 363.546 2.401 20 0 FEADHO CN1CC=C(C[NH2+][C@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000375849207 558088948 /nfs/dbraw/zinc/08/89/48/558088948.db2.gz GGRCFURWJPRNAE-QZTJIDSGSA-N 1 3 365.518 2.252 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)cc2)CC1 ZINC000376115246 558128930 /nfs/dbraw/zinc/12/89/30/558128930.db2.gz ODFUXMPVVNTFQX-XLIONFOSSA-N 1 3 356.514 2.041 20 0 FEADHO CCCN(CCN1CCCC1)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000376187976 558138468 /nfs/dbraw/zinc/13/84/68/558138468.db2.gz ODCKQCRGEMZANZ-UHFFFAOYSA-N 1 3 361.534 2.317 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCCO1 ZINC000376425966 558171497 /nfs/dbraw/zinc/17/14/97/558171497.db2.gz DYWURTFQQHTIQB-SFHVURJKSA-N 1 3 366.550 2.147 20 0 FEADHO C[C@H]1CN(CCCNC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCCO1 ZINC000376425966 558171499 /nfs/dbraw/zinc/17/14/99/558171499.db2.gz DYWURTFQQHTIQB-SFHVURJKSA-N 1 3 366.550 2.147 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCCC[C@H](CO)C1 ZINC000376499451 558181281 /nfs/dbraw/zinc/18/12/81/558181281.db2.gz FXUNIALYEYQFOS-QUCCMNQESA-N 1 3 373.541 2.250 20 0 FEADHO COCC[C@]1(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC[NH2+]C1 ZINC000376693594 558209581 /nfs/dbraw/zinc/20/95/81/558209581.db2.gz ASKMEJAJQJXZEZ-PZJWPPBQSA-N 1 3 359.514 2.264 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC3(Cc4ccccc4C3)C2)CC1 ZINC000377242471 558297121 /nfs/dbraw/zinc/29/71/21/558297121.db2.gz SKIYSWOMSDXWCC-UHFFFAOYSA-N 1 3 355.526 2.466 20 0 FEADHO CN(c1ccccc1CN1CC[C@H](n2cncn2)C1)C1CC[NH+](C)CC1 ZINC000377279982 558305472 /nfs/dbraw/zinc/30/54/72/558305472.db2.gz XOLFNMKJXSKNSP-IBGZPJMESA-N 1 3 354.502 2.256 20 0 FEADHO COc1ccc(OCCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000378320491 558529037 /nfs/dbraw/zinc/52/90/37/558529037.db2.gz PSKCBQSQVFQMFN-WIYYLYMNSA-N 1 3 361.530 2.422 20 0 FEADHO CN1CC[NH+](C[C@@H]2CCCN(C[C@@H](O)c3ccc(Cl)cc3)C2)CC1 ZINC000378433103 558556155 /nfs/dbraw/zinc/55/61/55/558556155.db2.gz IYWULHMQAUQNFM-QFBILLFUSA-N 1 3 351.922 2.333 20 0 FEADHO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)C2)cn1 ZINC000378550208 558580765 /nfs/dbraw/zinc/58/07/65/558580765.db2.gz YMEYFJQKYQJSJK-SEIRJHJZSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1cc(N2CC[C@H](N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C2)cn1 ZINC000378550208 558580767 /nfs/dbraw/zinc/58/07/67/558580767.db2.gz YMEYFJQKYQJSJK-SEIRJHJZSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1cc(N2CC[C@H](N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)C2)cn1 ZINC000378550208 558580770 /nfs/dbraw/zinc/58/07/70/558580770.db2.gz YMEYFJQKYQJSJK-SEIRJHJZSA-N 1 3 365.525 2.499 20 0 FEADHO COCC1(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000388403638 558608491 /nfs/dbraw/zinc/60/84/91/558608491.db2.gz NAEQRKJGIICGFI-LJQANCHMSA-N 1 3 359.514 2.126 20 0 FEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000524370753 562227664 /nfs/dbraw/zinc/22/76/64/562227664.db2.gz QGDDLFFWSZPLLA-XMSQKQJNSA-N 1 3 373.541 2.250 20 0 FEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000524370753 562227665 /nfs/dbraw/zinc/22/76/65/562227665.db2.gz QGDDLFFWSZPLLA-XMSQKQJNSA-N 1 3 373.541 2.250 20 0 FEADHO C[C@H]1CCC[C@@](CNC(=O)N2CCC(OCCN(C)C)CC2)([NH+](C)C)C1 ZINC000524518479 562229879 /nfs/dbraw/zinc/22/98/79/562229879.db2.gz DRNWXMCOAVHOBU-FXAWDEMLSA-N 1 3 368.566 2.249 20 0 FEADHO Cc1cc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)ccc1C[NH+](C)C ZINC000411180269 558849612 /nfs/dbraw/zinc/84/96/12/558849612.db2.gz DBRWRJDLIOXCMP-WBVHZDCISA-N 1 3 374.529 2.232 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)CC1 ZINC000411248343 558860201 /nfs/dbraw/zinc/86/02/01/558860201.db2.gz BHLRMHSKBJPOCH-UHFFFAOYSA-N 1 3 374.529 2.376 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000411462827 558899483 /nfs/dbraw/zinc/89/94/83/558899483.db2.gz RDBSUPYQKUHWOZ-RXVVDRJESA-N 1 3 359.514 2.343 20 0 FEADHO Cc1cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1CN(C)C ZINC000411521904 558909942 /nfs/dbraw/zinc/90/99/42/558909942.db2.gz VBUAJMLDOGZDTA-DFNIBXOVSA-N 1 3 372.513 2.079 20 0 FEADHO Cc1cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1CN(C)C ZINC000411521904 558909943 /nfs/dbraw/zinc/90/99/43/558909943.db2.gz VBUAJMLDOGZDTA-DFNIBXOVSA-N 1 3 372.513 2.079 20 0 FEADHO CCO[C@@H]1C[C@@H](NCC(=O)NC2CC[NH+](CC)CC2)C12CCCCC2 ZINC000411632851 558932569 /nfs/dbraw/zinc/93/25/69/558932569.db2.gz QWHAMNZFUBJYOG-QZTJIDSGSA-N 1 3 351.535 2.304 20 0 FEADHO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412079607 559010893 /nfs/dbraw/zinc/01/08/93/559010893.db2.gz VBMIFVUVUNBZJO-NRFANRHFSA-N 1 3 373.541 2.495 20 0 FEADHO CC1(C)CCCN(CCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000412287140 559024985 /nfs/dbraw/zinc/02/49/85/559024985.db2.gz DIHVDHLCORFOQB-QGZVFWFLSA-N 1 3 353.576 2.442 20 0 FEADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000414179644 559151653 /nfs/dbraw/zinc/15/16/53/559151653.db2.gz LKLFVXAPFZCGMO-HZPDHXFCSA-N 1 3 353.532 2.319 20 0 FEADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000414179644 559151654 /nfs/dbraw/zinc/15/16/54/559151654.db2.gz LKLFVXAPFZCGMO-HZPDHXFCSA-N 1 3 353.532 2.319 20 0 FEADHO CN1CCC(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)(N2CCOCC2)CC1 ZINC000414184974 559151895 /nfs/dbraw/zinc/15/18/95/559151895.db2.gz GERHTPQISCQIIJ-TZIWHRDSSA-N 1 3 372.557 2.494 20 0 FEADHO Cc1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)nn1 ZINC000414290373 559155164 /nfs/dbraw/zinc/15/51/64/559155164.db2.gz NNBASDIGSKQPDL-UHFFFAOYSA-N 1 3 353.514 2.473 20 0 FEADHO CC[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414668693 559178491 /nfs/dbraw/zinc/17/84/91/559178491.db2.gz APRAWESAYDHORL-HNNXBMFYSA-N 1 3 368.319 2.468 20 0 FEADHO CC[N@H+](Cc1cccc(Br)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414668693 559178493 /nfs/dbraw/zinc/17/84/93/559178493.db2.gz APRAWESAYDHORL-HNNXBMFYSA-N 1 3 368.319 2.468 20 0 FEADHO CC[NH+](CC)CCN(Cc1cccs1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414683720 559179620 /nfs/dbraw/zinc/17/96/20/559179620.db2.gz UHEWWFXUZUZRMN-KRWDZBQOSA-N 1 3 366.575 2.089 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)C1 ZINC000414687448 559179733 /nfs/dbraw/zinc/17/97/33/559179733.db2.gz HONXZAHYHHTULD-CQSZACIVSA-N 1 3 367.440 2.005 20 0 FEADHO COc1cc(C[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)ccc1SC ZINC000414688036 559179755 /nfs/dbraw/zinc/17/97/55/559179755.db2.gz CREZLZLVVNOLKE-HNNXBMFYSA-N 1 3 351.516 2.046 20 0 FEADHO COc1cc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)ccc1SC ZINC000414688036 559179756 /nfs/dbraw/zinc/17/97/56/559179756.db2.gz CREZLZLVVNOLKE-HNNXBMFYSA-N 1 3 351.516 2.046 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2)CC2CCOCC2)C1 ZINC000414686877 559179785 /nfs/dbraw/zinc/17/97/85/559179785.db2.gz BPFSBMLKTREUFR-HXUWFJFHSA-N 1 3 359.514 2.113 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)CC2CCOCC2)C1 ZINC000414686877 559179786 /nfs/dbraw/zinc/17/97/86/559179786.db2.gz BPFSBMLKTREUFR-HXUWFJFHSA-N 1 3 359.514 2.113 20 0 FEADHO CC1CCC([N@H+](C[C@H]2CCCO2)C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414693077 559180092 /nfs/dbraw/zinc/18/00/92/559180092.db2.gz DIZLQZJWPGYXMW-JWHDQAAXSA-N 1 3 351.535 2.243 20 0 FEADHO CC1CCC([N@@H+](C[C@H]2CCCO2)C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414693077 559180094 /nfs/dbraw/zinc/18/00/94/559180094.db2.gz DIZLQZJWPGYXMW-JWHDQAAXSA-N 1 3 351.535 2.243 20 0 FEADHO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)C12CCCCC2 ZINC000414694262 559180410 /nfs/dbraw/zinc/18/04/10/559180410.db2.gz FMKIQLLCRKDWOK-RCCFBDPRSA-N 1 3 351.535 2.243 20 0 FEADHO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)C12CCCCC2 ZINC000414694262 559180412 /nfs/dbraw/zinc/18/04/12/559180412.db2.gz FMKIQLLCRKDWOK-RCCFBDPRSA-N 1 3 351.535 2.243 20 0 FEADHO CC[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414706486 559181201 /nfs/dbraw/zinc/18/12/01/559181201.db2.gz MTUHWBSIFDEQDN-NHCUHLMSSA-N 1 3 372.557 2.028 20 0 FEADHO CC[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414706486 559181202 /nfs/dbraw/zinc/18/12/02/559181202.db2.gz MTUHWBSIFDEQDN-NHCUHLMSSA-N 1 3 372.557 2.028 20 0 FEADHO C[C@H]1C[C@H](CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)CC[NH2+]1 ZINC000414740997 559183788 /nfs/dbraw/zinc/18/37/88/559183788.db2.gz ROOQFDBMWHBAOO-JKSUJKDBSA-N 1 3 364.921 2.284 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@](C)(C[NH3+])C3)c(C)c2)CC1 ZINC000414746977 559184530 /nfs/dbraw/zinc/18/45/30/559184530.db2.gz GKIIKXUYELGBOY-HXUWFJFHSA-N 1 3 359.518 2.340 20 0 FEADHO C[C@@H]1C[C@H](CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)CC[NH2+]1 ZINC000414750427 559184779 /nfs/dbraw/zinc/18/47/79/559184779.db2.gz QVEXNSGJYFXFCM-HZPDHXFCSA-N 1 3 354.516 2.179 20 0 FEADHO COc1cc(OC)cc(N2CC[C@H](N(C)C[C@H]3CC[NH2+][C@H](C)C3)C2=O)c1 ZINC000414756391 559185363 /nfs/dbraw/zinc/18/53/63/559185363.db2.gz QQBTWXAGRVPDKC-VCBZYWHSSA-N 1 3 361.486 2.129 20 0 FEADHO [NH3+]C[C@H]1CN(Cc2ccc(OC[C@H]3CCCO3)cc2)CC12CCOCC2 ZINC000414793334 559187872 /nfs/dbraw/zinc/18/78/72/559187872.db2.gz TWONOCBWENGLBI-AZUAARDMSA-N 1 3 360.498 2.432 20 0 FEADHO COCC1(CNCc2cc3c(cc2Br)OCO3)CC[NH2+]CC1 ZINC000414949785 559196715 /nfs/dbraw/zinc/19/67/15/559196715.db2.gz DGCDDSHQDBRUQW-UHFFFAOYSA-N 1 3 371.275 2.284 20 0 FEADHO Cc1ccc(-c2n[nH]cc2CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414996905 559199850 /nfs/dbraw/zinc/19/98/50/559199850.db2.gz XXWWKEJAIGWDEC-INIZCTEOSA-N 1 3 367.419 2.311 20 0 FEADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CNCCCO1 ZINC000415028912 559201434 /nfs/dbraw/zinc/20/14/34/559201434.db2.gz AMMIFLBFPIBEED-TZMCWYRMSA-N 1 3 355.866 2.034 20 0 FEADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CNCCCO1 ZINC000415049315 559202410 /nfs/dbraw/zinc/20/24/10/559202410.db2.gz XWIMSFUNQSNWAG-GOEBONIOSA-N 1 3 353.894 2.045 20 0 FEADHO C[C@@H](Cc1ccccc1Br)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415125696 559206713 /nfs/dbraw/zinc/20/67/13/559206713.db2.gz SQBQTDMAESYMKY-UONOGXRCSA-N 1 3 368.319 2.167 20 0 FEADHO O=C1N[C@@H]2CN(C[C@@H]3C[C@H]3c3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415136892 559207465 /nfs/dbraw/zinc/20/74/65/559207465.db2.gz ICIPNTFHIFFJBF-IJXRJRJASA-N 1 3 354.498 2.010 20 0 FEADHO CNCc1cccc(NC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000415918304 559282599 /nfs/dbraw/zinc/28/25/99/559282599.db2.gz KYQSWCWFBMFIHJ-HDICACEKSA-N 1 3 373.545 2.428 20 0 FEADHO CNCc1cccc(NC(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000415918304 559282600 /nfs/dbraw/zinc/28/26/00/559282600.db2.gz KYQSWCWFBMFIHJ-HDICACEKSA-N 1 3 373.545 2.428 20 0 FEADHO CNCc1cccc(NC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000415918305 559282651 /nfs/dbraw/zinc/28/26/51/559282651.db2.gz KYQSWCWFBMFIHJ-QZTJIDSGSA-N 1 3 373.545 2.428 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415930559 559283107 /nfs/dbraw/zinc/28/31/07/559283107.db2.gz AIVLPHQPBLAKPI-UHFFFAOYSA-N 1 3 357.458 2.015 20 0 FEADHO C[C@H]1C[N@H+](CCCNC(=O)Nc2ccc3c(c2F)CCNC3)CCCO1 ZINC000415965589 559285318 /nfs/dbraw/zinc/28/53/18/559285318.db2.gz AMJTZNQYHXVXLP-AWEZNQCLSA-N 1 3 364.465 2.094 20 0 FEADHO C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccc3c(c2F)CCNC3)CCCO1 ZINC000415965589 559285320 /nfs/dbraw/zinc/28/53/20/559285320.db2.gz AMJTZNQYHXVXLP-AWEZNQCLSA-N 1 3 364.465 2.094 20 0 FEADHO [NH3+]Cc1ccc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000415967261 559285678 /nfs/dbraw/zinc/28/56/78/559285678.db2.gz BIDFSKCKMYNJCO-UHFFFAOYSA-N 1 3 368.481 2.424 20 0 FEADHO C[NH2+]Cc1ccc(NC(=O)Nc2ccc(OC[C@H](O)CN(C)C)cc2)cc1 ZINC000415967258 559285681 /nfs/dbraw/zinc/28/56/81/559285681.db2.gz AZQVIDLTKIQHJZ-GOSISDBHSA-N 1 3 372.469 2.351 20 0 FEADHO CN1CCN(Cc2ccc(CNC(=O)Nc3ccc(C[NH3+])cc3)cc2)CC1 ZINC000415981599 559286852 /nfs/dbraw/zinc/28/68/52/559286852.db2.gz WJGOSGHAFQMLTF-UHFFFAOYSA-N 1 3 367.497 2.214 20 0 FEADHO CCCN(CCN1CCN(CC)CC1)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415985489 559287026 /nfs/dbraw/zinc/28/70/26/559287026.db2.gz SOCMUZPXXOAZNX-UHFFFAOYSA-N 1 3 361.534 2.287 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000416048580 559290652 /nfs/dbraw/zinc/29/06/52/559290652.db2.gz QCWVEHCKCHOTOF-HOCLYGCPSA-N 1 3 372.435 2.430 20 0 FEADHO [NH3+]CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000416840297 559334639 /nfs/dbraw/zinc/33/46/39/559334639.db2.gz LACYRDJOMWNHET-FQEVSTJZSA-N 1 3 352.482 2.431 20 0 FEADHO CN(C)[C@H](CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000416851797 559335221 /nfs/dbraw/zinc/33/52/21/559335221.db2.gz RMVHQNPHKDCDMY-PMACEKPBSA-N 1 3 358.530 2.190 20 0 FEADHO COc1cccc([C@H](CNC(=O)NCC[C@H]2CC[NH2+]C2)N2CCCC2)c1 ZINC000416855392 559335450 /nfs/dbraw/zinc/33/54/50/559335450.db2.gz PZDNWNZCIRXNMC-APWZRJJASA-N 1 3 360.502 2.131 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000416967026 559340654 /nfs/dbraw/zinc/34/06/54/559340654.db2.gz GNJGREBIVMJFHP-OALUTQOASA-N 1 3 374.529 2.158 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416974006 559341194 /nfs/dbraw/zinc/34/11/94/559341194.db2.gz KONOOVNRITVREF-QUCCMNQESA-N 1 3 356.514 2.087 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000416975131 559341390 /nfs/dbraw/zinc/34/13/90/559341390.db2.gz MIXDJOSYZQWDKQ-IEBWSBKVSA-N 1 3 356.514 2.210 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000416976997 559341461 /nfs/dbraw/zinc/34/14/61/559341461.db2.gz OXZUSUOWLWNUJE-NRFANRHFSA-N 1 3 356.514 2.354 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000417008351 559343551 /nfs/dbraw/zinc/34/35/51/559343551.db2.gz IMRNXZJHVLGJFW-CTNGQTDRSA-N 1 3 356.514 2.218 20 0 FEADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CNCCC1(F)F)Cc1ccccc1 ZINC000417013189 559343727 /nfs/dbraw/zinc/34/37/27/559343727.db2.gz YIUHUWDUFCHBES-IAGOWNOFSA-N 1 3 368.472 2.236 20 0 FEADHO O=C(NCCC[NH2+]C1CC1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417356152 559359020 /nfs/dbraw/zinc/35/90/20/559359020.db2.gz BUMSORBYOVNSON-HNNXBMFYSA-N 1 3 350.532 2.401 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417354984 559359023 /nfs/dbraw/zinc/35/90/23/559359023.db2.gz AIXZYTVJPYWMIU-YESZJQIVSA-N 1 3 362.543 2.211 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417380879 559360227 /nfs/dbraw/zinc/36/02/27/559360227.db2.gz LLYIAOPXKNQFJV-KRWDZBQOSA-N 1 3 362.543 2.496 20 0 FEADHO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](CCN(C)CCOC)c1ccccc1 ZINC000417520250 559365811 /nfs/dbraw/zinc/36/58/11/559365811.db2.gz WZWUJVVADKWARJ-RBUKOAKNSA-N 1 3 362.518 2.089 20 0 FEADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000417547055 559366454 /nfs/dbraw/zinc/36/64/54/559366454.db2.gz GKFRWNFZROPVJY-UZLBHIALSA-N 1 3 374.529 2.055 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417568776 559367084 /nfs/dbraw/zinc/36/70/84/559367084.db2.gz PGIWZDDJOJHRIT-UXHICEINSA-N 1 3 370.497 2.250 20 0 FEADHO C[C@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)N(C)Cc1ccccc1 ZINC000417575977 559367289 /nfs/dbraw/zinc/36/72/89/559367289.db2.gz GXYOIFRSQMCIIN-QGZVFWFLSA-N 1 3 362.518 2.046 20 0 FEADHO C[NH2+]C[C@H]1CCCN1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417626616 559369545 /nfs/dbraw/zinc/36/95/45/559369545.db2.gz OHCUBMGKHYTXDS-MRXNPFEDSA-N 1 3 354.564 2.132 20 0 FEADHO COc1cc(NC(=O)N[C@H]2CCCN(C)[C@H]2C)ccc1OCC[NH+](C)C ZINC000417689038 559372533 /nfs/dbraw/zinc/37/25/33/559372533.db2.gz SOSSERGOUAPJDH-HOCLYGCPSA-N 1 3 364.490 2.240 20 0 FEADHO C[NH2+][C@@H]1CCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000417688397 559372558 /nfs/dbraw/zinc/37/25/58/559372558.db2.gz RVVULJHVYNYYGX-MOPGFXCFSA-N 1 3 358.530 2.463 20 0 FEADHO COc1cc(NC(=O)NC2(C[NH+](C)C)CCC2)ccc1OCCN(C)C ZINC000417691545 559372867 /nfs/dbraw/zinc/37/28/67/559372867.db2.gz XJAQJDJKNVXMGQ-UHFFFAOYSA-N 1 3 364.490 2.241 20 0 FEADHO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000418007448 559386370 /nfs/dbraw/zinc/38/63/70/559386370.db2.gz QZXMKOHFVAOSQC-OAGGEKHMSA-N 1 3 365.547 2.055 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000418143321 559391788 /nfs/dbraw/zinc/39/17/88/559391788.db2.gz LWKCQEVTYFHTTD-TZIWHRDSSA-N 1 3 356.514 2.292 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)NC[C@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000418216237 559394373 /nfs/dbraw/zinc/39/43/73/559394373.db2.gz ZJRPTEFLLURSDR-ZWKOTPCHSA-N 1 3 350.507 2.359 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)N(C)C)cc1 ZINC000418232122 559394820 /nfs/dbraw/zinc/39/48/20/559394820.db2.gz MANLFHSCMLBMTE-KMFMINBZSA-N 1 3 350.532 2.451 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418322039 559397317 /nfs/dbraw/zinc/39/73/17/559397317.db2.gz SKYHGVMFQVIPIP-RTBURBONSA-N 1 3 359.518 2.077 20 0 FEADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418422134 559400861 /nfs/dbraw/zinc/40/08/61/559400861.db2.gz CIXHZPSPIJZIDP-ZIFCJYIRSA-N 1 3 368.566 2.281 20 0 FEADHO CCC([NH3+])(CC)CNC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418429208 559401197 /nfs/dbraw/zinc/40/11/97/559401197.db2.gz RTGPOGSCKZQZKO-IRXDYDNUSA-N 1 3 368.566 2.425 20 0 FEADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000418653567 559409858 /nfs/dbraw/zinc/40/98/58/559409858.db2.gz ONAYFCOLBIKOKT-IBGZPJMESA-N 1 3 362.518 2.001 20 0 FEADHO C[C@@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@@H](C)C1 ZINC000418680964 559410953 /nfs/dbraw/zinc/41/09/53/559410953.db2.gz GBHSICSXUXWBGD-KRFUXDQASA-N 1 3 356.514 2.114 20 0 FEADHO CN(C)C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1 ZINC000418774858 559415403 /nfs/dbraw/zinc/41/54/03/559415403.db2.gz WBJVGVUYJZQRPX-KBPBESRZSA-N 1 3 360.836 2.239 20 0 FEADHO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000418779733 559415709 /nfs/dbraw/zinc/41/57/09/559415709.db2.gz BMZLIOHIFZLGCY-PMACEKPBSA-N 1 3 358.530 2.464 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418795597 559416389 /nfs/dbraw/zinc/41/63/89/559416389.db2.gz QQYWFEPXSARBAH-ZIFCJYIRSA-N 1 3 362.493 2.287 20 0 FEADHO C[C@H](NC(C)(C)CNC(=O)C(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000419651167 559451857 /nfs/dbraw/zinc/45/18/57/559451857.db2.gz OJPXAQWYAMUQCE-INIZCTEOSA-N 1 3 374.529 2.010 20 0 FEADHO COc1ccc([C@@H](CN)C[NH+]2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000420324357 559480545 /nfs/dbraw/zinc/48/05/45/559480545.db2.gz VBMIIQLKXGYGGC-IBGZPJMESA-N 1 3 359.514 2.462 20 0 FEADHO COC(=O)c1cc2cc(CN3C[C@H](C[NH3+])C4(C3)CCOCC4)ccc2o1 ZINC000420331593 559481247 /nfs/dbraw/zinc/48/12/47/559481247.db2.gz RAKGONCGNPLNNK-INIZCTEOSA-N 1 3 358.438 2.407 20 0 FEADHO Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420345785 559482192 /nfs/dbraw/zinc/48/21/92/559482192.db2.gz WQVFVFLAMIOWNX-DLBZAZTESA-N 1 3 358.486 2.273 20 0 FEADHO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346503 559482293 /nfs/dbraw/zinc/48/22/93/559482293.db2.gz YMWPUZKPSLICKU-SFNKJDCFSA-N 1 3 357.498 2.336 20 0 FEADHO Cc1ccc(CN2CCCN(C(=O)CN[C@@H]3CC[NH2+]CC3(C)C)CC2)cc1 ZINC000420355972 559482748 /nfs/dbraw/zinc/48/27/48/559482748.db2.gz FVYAJZWPCHUMTH-HXUWFJFHSA-N 1 3 372.557 2.007 20 0 FEADHO CC(=O)c1ccc(NC(=O)CCN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000420396663 559485442 /nfs/dbraw/zinc/48/54/42/559485442.db2.gz VVTWUYRZDZLODV-QUCCMNQESA-N 1 3 373.497 2.436 20 0 FEADHO CCOC(=O)c1ccc(CN2CCC[N@@H+](C3CCN(CC)CC3)CC2)o1 ZINC000420985273 559517541 /nfs/dbraw/zinc/51/75/41/559517541.db2.gz VXTHHIPEFVVEDZ-UHFFFAOYSA-N 1 3 363.502 2.448 20 0 FEADHO CCOC(=O)c1ccc(CN2CCC[N@H+](C3CCN(CC)CC3)CC2)o1 ZINC000420985273 559517542 /nfs/dbraw/zinc/51/75/42/559517542.db2.gz VXTHHIPEFVVEDZ-UHFFFAOYSA-N 1 3 363.502 2.448 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000421017968 559519984 /nfs/dbraw/zinc/51/99/84/559519984.db2.gz VWRMLHFVFXFRMH-ICSRJNTNSA-N 1 3 364.578 2.173 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000421017968 559519985 /nfs/dbraw/zinc/51/99/85/559519985.db2.gz VWRMLHFVFXFRMH-ICSRJNTNSA-N 1 3 364.578 2.173 20 0 FEADHO C(N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCCC1 ZINC000422700816 559603362 /nfs/dbraw/zinc/60/33/62/559603362.db2.gz ASLLGIUGVLCFSK-IPMKNSEASA-N 1 3 367.603 2.485 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2cccc(OC)c2OC)CC[NH2+]CC1 ZINC000422718559 559604234 /nfs/dbraw/zinc/60/42/34/559604234.db2.gz LERHDPMZTXYOHH-AWEZNQCLSA-N 1 3 350.459 2.115 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422739429 559605096 /nfs/dbraw/zinc/60/50/96/559605096.db2.gz LGKNQMQCUSJDHP-MAUKXSAKSA-N 1 3 353.532 2.122 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@@H](C)C[C@@H](C)N)CC2)cc1 ZINC000422822791 559607677 /nfs/dbraw/zinc/60/76/77/559607677.db2.gz KPWVRSCMAYJEAN-CABCVRRESA-N 1 3 353.532 2.164 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC(N[C@@H](C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000422822791 559607678 /nfs/dbraw/zinc/60/76/78/559607678.db2.gz KPWVRSCMAYJEAN-CABCVRRESA-N 1 3 353.532 2.164 20 0 FEADHO CCN1CCN(CCCN[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422855523 559608695 /nfs/dbraw/zinc/60/86/95/559608695.db2.gz FAAKKZKHEIVXNT-NHCUHLMSSA-N 1 3 360.546 2.106 20 0 FEADHO CN(C)CCNC(=O)c1cccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422901752 559610502 /nfs/dbraw/zinc/61/05/02/559610502.db2.gz CCZSPCCENNKJMU-UXHICEINSA-N 1 3 352.482 2.212 20 0 FEADHO CN(C)CCNC(=O)c1cccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422901753 559610567 /nfs/dbraw/zinc/61/05/67/559610567.db2.gz CCZSPCCENNKJMU-VQTJNVASSA-N 1 3 352.482 2.212 20 0 FEADHO [NH3+][C@@H]1CCCCC[C@@H]1NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000422911583 559610903 /nfs/dbraw/zinc/61/09/03/559610903.db2.gz LCOXBGUVKFUCGI-UXHICEINSA-N 1 3 358.530 2.262 20 0 FEADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)CC2)cs1 ZINC000422912416 559611151 /nfs/dbraw/zinc/61/11/51/559611151.db2.gz NBVGFDUVLSQHBV-BMGDILEWSA-N 1 3 366.575 2.259 20 0 FEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCN1c2ccccc2OCC1=O ZINC000422921816 559611345 /nfs/dbraw/zinc/61/13/45/559611345.db2.gz OXMKJWWVTOEREU-WMZOPIPTSA-N 1 3 353.466 2.350 20 0 FEADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000422965686 559613175 /nfs/dbraw/zinc/61/31/75/559613175.db2.gz PKFHUQOBDCDUPU-MVWVFHAYSA-N 1 3 353.510 2.170 20 0 FEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000422965686 559613176 /nfs/dbraw/zinc/61/31/76/559613176.db2.gz PKFHUQOBDCDUPU-MVWVFHAYSA-N 1 3 353.510 2.170 20 0 FEADHO COC[C@@H](CCC[NH3+])NCc1ccc(N2CCc3ccccc3C2)nc1 ZINC000422976290 559613570 /nfs/dbraw/zinc/61/35/70/559613570.db2.gz UXBCPZDOYYOKHF-HXUWFJFHSA-N 1 3 354.498 2.488 20 0 FEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423062152 559617057 /nfs/dbraw/zinc/61/70/57/559617057.db2.gz MHOHBAUBQXXJMG-WMZOPIPTSA-N 1 3 372.513 2.179 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000423125745 559620120 /nfs/dbraw/zinc/62/01/20/559620120.db2.gz ABTPREHTLQYRFR-RVKKMQEKSA-N 1 3 351.466 2.221 20 0 FEADHO CCCOc1c(OC)cc(CCN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1OC ZINC000423158108 559621253 /nfs/dbraw/zinc/62/12/53/559621253.db2.gz WGUREWRYQVCEHH-BHYGNILZSA-N 1 3 366.502 2.377 20 0 FEADHO CCCOc1c(OC)cc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)cc1OC ZINC000423158108 559621254 /nfs/dbraw/zinc/62/12/54/559621254.db2.gz WGUREWRYQVCEHH-BHYGNILZSA-N 1 3 366.502 2.377 20 0 FEADHO OC[C@@H](CN[C@@H]1CCC[NH2+]CC1)Cc1cc(F)cc(Br)c1 ZINC000423173476 559622000 /nfs/dbraw/zinc/62/20/00/559622000.db2.gz YWACMXIIABDJKF-CZUORRHYSA-N 1 3 359.283 2.471 20 0 FEADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000423304261 559625002 /nfs/dbraw/zinc/62/50/02/559625002.db2.gz YGNJMURMUDMSJE-UONOGXRCSA-N 1 3 351.472 2.004 20 0 FEADHO CN(CCCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)Cc1ccccc1 ZINC000423318793 559625291 /nfs/dbraw/zinc/62/52/91/559625291.db2.gz ZKJNBRVNAYLXJJ-IBGZPJMESA-N 1 3 355.486 2.060 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3[NH2+]CCCC3(C)C)CC2)C[C@@H](C)O1 ZINC000423363719 559626710 /nfs/dbraw/zinc/62/67/10/559626710.db2.gz VBMYHVVXDWKIBM-NUJGCVRESA-N 1 3 351.535 2.112 20 0 FEADHO COC[C@]1(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]C1 ZINC000423405707 559628105 /nfs/dbraw/zinc/62/81/05/559628105.db2.gz ZJRLNRBNRWZSJO-LMNJBCLMSA-N 1 3 359.514 2.124 20 0 FEADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423437188 559629073 /nfs/dbraw/zinc/62/90/73/559629073.db2.gz TZDSLIZXKYQMNS-VXIBKDFQSA-N 1 3 351.535 2.112 20 0 FEADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000423469882 559629915 /nfs/dbraw/zinc/62/99/15/559629915.db2.gz LBAZFGPHRZRPMU-RQSWOZRGSA-N 1 3 361.505 2.266 20 0 FEADHO O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000423848723 559642661 /nfs/dbraw/zinc/64/26/61/559642661.db2.gz NRUKABSEIDCONG-QUCCMNQESA-N 1 3 359.514 2.174 20 0 FEADHO N[C@H](CC(F)F)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423909700 559645172 /nfs/dbraw/zinc/64/51/72/559645172.db2.gz UIINMYONHMOUOC-BRWVUGGUSA-N 1 3 351.441 2.482 20 0 FEADHO N[C@H](CC(F)F)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423909700 559645173 /nfs/dbraw/zinc/64/51/73/559645173.db2.gz UIINMYONHMOUOC-BRWVUGGUSA-N 1 3 351.441 2.482 20 0 FEADHO C[C@@H]1C[C@H](CCNC(=O)C[C@@H]2CSCCN2)C[N@@H+]1Cc1ccccc1 ZINC000423913607 559645294 /nfs/dbraw/zinc/64/52/94/559645294.db2.gz XEPZSCIQVMTEFB-NZSAHSFTSA-N 1 3 361.555 2.498 20 0 FEADHO C[C@@H]1C[C@H](CCNC(=O)C[C@@H]2CSCCN2)C[N@H+]1Cc1ccccc1 ZINC000423913607 559645295 /nfs/dbraw/zinc/64/52/95/559645295.db2.gz XEPZSCIQVMTEFB-NZSAHSFTSA-N 1 3 361.555 2.498 20 0 FEADHO N[C@H](CC1CCCCC1)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424019606 559651421 /nfs/dbraw/zinc/65/14/21/559651421.db2.gz MNKSEDOKYURNBI-HXUWFJFHSA-N 1 3 372.557 2.394 20 0 FEADHO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424471239 559666585 /nfs/dbraw/zinc/66/65/85/559666585.db2.gz SAOKTPOUSDRNNC-ALGQRKQJSA-N 1 3 368.525 2.290 20 0 FEADHO C[C@]1(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCC[NH2+]C1 ZINC000424482837 559667042 /nfs/dbraw/zinc/66/70/42/559667042.db2.gz VJHCTMUJCSAYFI-ZVDOUQERSA-N 1 3 356.514 2.292 20 0 FEADHO CN(C)CCOc1cc(CNC(=O)C2(C[NH+](C)C)CCCCC2)ccn1 ZINC000427002311 559745551 /nfs/dbraw/zinc/74/55/51/559745551.db2.gz WPYKTTCZDJSXRE-UHFFFAOYSA-N 1 3 362.518 2.150 20 0 FEADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430609708 559824544 /nfs/dbraw/zinc/82/45/44/559824544.db2.gz ILZOCKVAPBJWLK-YJBOKZPZSA-N 1 3 358.486 2.344 20 0 FEADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430609708 559824545 /nfs/dbraw/zinc/82/45/45/559824545.db2.gz ILZOCKVAPBJWLK-YJBOKZPZSA-N 1 3 358.486 2.344 20 0 FEADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000430932862 559830703 /nfs/dbraw/zinc/83/07/03/559830703.db2.gz GNZVGJYEIOXCRV-KKUMJFAQSA-N 1 3 361.486 2.083 20 0 FEADHO CCN(C(=O)CNC[C@@H]1CCCO1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000431035907 559832904 /nfs/dbraw/zinc/83/29/04/559832904.db2.gz UVRFUYVXNVRTSS-HOJAQTOUSA-N 1 3 359.514 2.439 20 0 FEADHO CCN(C(=O)CNC[C@@H]1CCCO1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000431035907 559832905 /nfs/dbraw/zinc/83/29/05/559832905.db2.gz UVRFUYVXNVRTSS-HOJAQTOUSA-N 1 3 359.514 2.439 20 0 FEADHO Cc1cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n(C2CCN(C)CC2)n1 ZINC000431114515 559834338 /nfs/dbraw/zinc/83/43/38/559834338.db2.gz YQXLGTNNVSHUHZ-DOTOQJQBSA-N 1 3 360.506 2.207 20 0 FEADHO Cc1cc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)n(C2CCN(C)CC2)n1 ZINC000431114515 559834339 /nfs/dbraw/zinc/83/43/39/559834339.db2.gz YQXLGTNNVSHUHZ-DOTOQJQBSA-N 1 3 360.506 2.207 20 0 FEADHO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n(C2CCN(C)CC2)n1 ZINC000431114516 559834347 /nfs/dbraw/zinc/83/43/47/559834347.db2.gz YQXLGTNNVSHUHZ-NVXWUHKLSA-N 1 3 360.506 2.207 20 0 FEADHO Cc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n(C2CCN(C)CC2)n1 ZINC000431114516 559834348 /nfs/dbraw/zinc/83/43/48/559834348.db2.gz YQXLGTNNVSHUHZ-NVXWUHKLSA-N 1 3 360.506 2.207 20 0 FEADHO CC[NH+](CC)CCSCC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000431589794 559842063 /nfs/dbraw/zinc/84/20/63/559842063.db2.gz ZZMDLQIOFQLVNV-UHFFFAOYSA-N 1 3 367.563 2.472 20 0 FEADHO CC[N@H+](CCNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(C)C ZINC000433217982 559874040 /nfs/dbraw/zinc/87/40/40/559874040.db2.gz CKSXQESFOIHBKW-OALUTQOASA-N 1 3 361.534 2.446 20 0 FEADHO CC[N@@H+](CCNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(C)C ZINC000433217982 559874041 /nfs/dbraw/zinc/87/40/41/559874041.db2.gz CKSXQESFOIHBKW-OALUTQOASA-N 1 3 361.534 2.446 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433278018 559875483 /nfs/dbraw/zinc/87/54/83/559875483.db2.gz DEGXXRMXJPFMNQ-RTBURBONSA-N 1 3 368.566 2.441 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433278018 559875484 /nfs/dbraw/zinc/87/54/84/559875484.db2.gz DEGXXRMXJPFMNQ-RTBURBONSA-N 1 3 368.566 2.441 20 0 FEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433278154 559875687 /nfs/dbraw/zinc/87/56/87/559875687.db2.gz FLWKBZIHHNFYAC-RBUKOAKNSA-N 1 3 368.566 2.299 20 0 FEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433278154 559875688 /nfs/dbraw/zinc/87/56/88/559875688.db2.gz FLWKBZIHHNFYAC-RBUKOAKNSA-N 1 3 368.566 2.299 20 0 FEADHO CN(C)Cc1ccccc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000433378890 559879196 /nfs/dbraw/zinc/87/91/96/559879196.db2.gz RWGIMTMZBVUSOE-HXUWFJFHSA-N 1 3 367.493 2.245 20 0 FEADHO CN(C)Cc1ccccc1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000433378890 559879197 /nfs/dbraw/zinc/87/91/97/559879197.db2.gz RWGIMTMZBVUSOE-HXUWFJFHSA-N 1 3 367.493 2.245 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)c1 ZINC000433382506 559879393 /nfs/dbraw/zinc/87/93/93/559879393.db2.gz ORZLEPSREMQFGF-KRWDZBQOSA-N 1 3 356.474 2.297 20 0 FEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433409863 559880434 /nfs/dbraw/zinc/88/04/34/559880434.db2.gz JCHXBMUFTJAXLW-MSOLQXFVSA-N 1 3 354.539 2.051 20 0 FEADHO CC[C@H](C(=O)N(Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2)N(CC)CC ZINC000435560584 559925215 /nfs/dbraw/zinc/92/52/15/559925215.db2.gz WQMFWNWXVYMQLW-IAGOWNOFSA-N 1 3 361.534 2.011 20 0 FEADHO O=C1c2ccccc2CCN1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000436469427 559942323 /nfs/dbraw/zinc/94/23/23/559942323.db2.gz APAAFEATODGKOA-UHFFFAOYSA-N 1 3 350.466 2.339 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000437955880 559972145 /nfs/dbraw/zinc/97/21/45/559972145.db2.gz RMFIRZQVDPPWDB-OAHLLOKOSA-N 1 3 365.522 2.852 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000437955880 559972146 /nfs/dbraw/zinc/97/21/46/559972146.db2.gz RMFIRZQVDPPWDB-OAHLLOKOSA-N 1 3 365.522 2.852 20 0 FEADHO C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000438201696 559975605 /nfs/dbraw/zinc/97/56/05/559975605.db2.gz QTVKTYMJQIAKHL-VXKWHMMOSA-N 1 3 359.558 2.477 20 0 FEADHO C[NH+](C)[C@H](CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000438877521 559984873 /nfs/dbraw/zinc/98/48/73/559984873.db2.gz APGOTBZQAKITNR-AZUAARDMSA-N 1 3 350.466 2.457 20 0 FEADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NC[C@@H]1CCCN1C ZINC000439168363 559989477 /nfs/dbraw/zinc/98/94/77/559989477.db2.gz JZRMBEMECCCVSU-AWEZNQCLSA-N 1 3 352.445 2.386 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@@H](C)O1 ZINC000440959430 560020349 /nfs/dbraw/zinc/02/03/49/560020349.db2.gz LOMMZCMNLOUYRV-ZHALLVOQSA-N 1 3 351.535 2.399 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@@H](C)O1 ZINC000440959430 560020350 /nfs/dbraw/zinc/02/03/50/560020350.db2.gz LOMMZCMNLOUYRV-ZHALLVOQSA-N 1 3 351.535 2.399 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000441312677 560028563 /nfs/dbraw/zinc/02/85/63/560028563.db2.gz QJUVXVACSHCWAU-DLBZAZTESA-N 1 3 366.550 2.144 20 0 FEADHO CN(C)C[C@@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CCO1 ZINC000442979349 560065011 /nfs/dbraw/zinc/06/50/11/560065011.db2.gz ZLFFKAPILHZQPK-KCZVDYSFSA-N 1 3 371.525 2.078 20 0 FEADHO CN(C)C[C@@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000442979349 560065012 /nfs/dbraw/zinc/06/50/12/560065012.db2.gz ZLFFKAPILHZQPK-KCZVDYSFSA-N 1 3 371.525 2.078 20 0 FEADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000443057365 560068274 /nfs/dbraw/zinc/06/82/74/560068274.db2.gz GLHWBNXIOUVYJB-OAHLLOKOSA-N 1 3 355.429 2.008 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C[C@@H]1C ZINC000443367437 560082019 /nfs/dbraw/zinc/08/20/19/560082019.db2.gz WAONJCRUHIIMGY-WMZOPIPTSA-N 1 3 374.529 2.326 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C[C@@H]1C ZINC000443367437 560082020 /nfs/dbraw/zinc/08/20/20/560082020.db2.gz WAONJCRUHIIMGY-WMZOPIPTSA-N 1 3 374.529 2.326 20 0 FEADHO COc1ccc(CNCC2(O)CC[NH+](C)CC2)c(OCc2cccnc2)c1 ZINC000444003293 560099129 /nfs/dbraw/zinc/09/91/29/560099129.db2.gz SBZATCKRNIQZTF-UHFFFAOYSA-N 1 3 371.481 2.216 20 0 FEADHO CN(C)[C@@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000444888686 560124050 /nfs/dbraw/zinc/12/40/50/560124050.db2.gz LFRFCCUZVGCLBM-HXUWFJFHSA-N 1 3 358.530 2.333 20 0 FEADHO CN(C)[C@]1(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCSC1 ZINC000448216197 560180469 /nfs/dbraw/zinc/18/04/69/560180469.db2.gz AKOXOKIBDZCLTC-SUMDDJOVSA-N 1 3 366.575 2.082 20 0 FEADHO CN(C)[C@]1(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCSC1 ZINC000448216197 560180470 /nfs/dbraw/zinc/18/04/70/560180470.db2.gz AKOXOKIBDZCLTC-SUMDDJOVSA-N 1 3 366.575 2.082 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)N2CCC(OC)CC2)[C@H](C)C1 ZINC000448524658 560188887 /nfs/dbraw/zinc/18/88/87/560188887.db2.gz KEYXLEJRLHDKDI-SJLPKXTDSA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)N2CCC(OC)CC2)[C@H](C)C1 ZINC000448524658 560188890 /nfs/dbraw/zinc/18/88/90/560188890.db2.gz KEYXLEJRLHDKDI-SJLPKXTDSA-N 1 3 368.566 2.248 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)COC1CCC([NH3+])CC1 ZINC000449160897 560218395 /nfs/dbraw/zinc/21/83/95/560218395.db2.gz NFGJNURSLHBJLY-UHFFFAOYSA-N 1 3 351.466 2.002 20 0 FEADHO CN(C)CCOc1ccc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000449322309 560225072 /nfs/dbraw/zinc/22/50/72/560225072.db2.gz OZSFZZZFVCKKEK-OAQYLSRUSA-N 1 3 353.466 2.497 20 0 FEADHO CC(C)(C)N1CCC([NH2+]CCn2cc(Br)ccc2=O)CC1 ZINC000449380327 560227917 /nfs/dbraw/zinc/22/79/17/560227917.db2.gz WBXDQWWVMCYDKI-UHFFFAOYSA-N 1 3 356.308 2.463 20 0 FEADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCc2cscn2)CC1 ZINC000450607861 560267890 /nfs/dbraw/zinc/26/78/90/560267890.db2.gz CADOLCLAIABUCN-UHFFFAOYSA-N 1 3 364.559 2.390 20 0 FEADHO CC[C@@H](C)N1CCN(c2cc(N3CC[NH+]([C@H](C)CC)CC3)ncn2)CC1 ZINC000450858221 560276046 /nfs/dbraw/zinc/27/60/46/560276046.db2.gz LAXUVFYZSNDSGO-QZTJIDSGSA-N 1 3 360.550 2.318 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](CCCO)C2)CC1 ZINC000452133644 560353304 /nfs/dbraw/zinc/35/33/04/560353304.db2.gz SIWHDIMBTZCOGE-LJQANCHMSA-N 1 3 373.541 2.170 20 0 FEADHO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)CN(C)C(C)C)CC2)cc1 ZINC000453024260 560381548 /nfs/dbraw/zinc/38/15/48/560381548.db2.gz OWIOHALRENNFHA-UHFFFAOYSA-N 1 3 360.502 2.066 20 0 FEADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)Cc2cnccn2)CC1 ZINC000453058542 560382595 /nfs/dbraw/zinc/38/25/95/560382595.db2.gz HLBKMUAIXRYTSH-GOSISDBHSA-N 1 3 353.514 2.335 20 0 FEADHO CN1CCN(C)[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453114144 560383488 /nfs/dbraw/zinc/38/34/88/560383488.db2.gz RRSOXQFFXSYGNC-CIAFKFPVSA-N 1 3 356.558 2.265 20 0 FEADHO CN1CCN(C)[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453114144 560383489 /nfs/dbraw/zinc/38/34/89/560383489.db2.gz RRSOXQFFXSYGNC-CIAFKFPVSA-N 1 3 356.558 2.265 20 0 FEADHO CN1CCN(C)[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453114144 560383490 /nfs/dbraw/zinc/38/34/90/560383490.db2.gz RRSOXQFFXSYGNC-CIAFKFPVSA-N 1 3 356.558 2.265 20 0 FEADHO CN1CCC(O)(C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453138746 560383803 /nfs/dbraw/zinc/38/38/03/560383803.db2.gz YRAXUTGIDJAUDH-MSOLQXFVSA-N 1 3 352.906 2.476 20 0 FEADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccnn1CCN(C)C ZINC000455656206 560490814 /nfs/dbraw/zinc/49/08/14/560490814.db2.gz KDCNAHCIISATLA-SJORKVTESA-N 1 3 364.538 2.467 20 0 FEADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3CCCN3CCCO)ccc21 ZINC000455835258 560496968 /nfs/dbraw/zinc/49/69/68/560496968.db2.gz ABAWGFHXVQWMGW-IEBWSBKVSA-N 1 3 360.502 2.204 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000456322519 560515168 /nfs/dbraw/zinc/51/51/68/560515168.db2.gz RZUMFOYGSNVBSZ-CTXDPNEZSA-N 1 3 356.514 2.184 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000456322519 560515169 /nfs/dbraw/zinc/51/51/69/560515169.db2.gz RZUMFOYGSNVBSZ-CTXDPNEZSA-N 1 3 356.514 2.184 20 0 FEADHO C[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+](C2CC2)C1 ZINC000457487794 560569954 /nfs/dbraw/zinc/56/99/54/560569954.db2.gz JEEJHTQKZAXMEH-MJGOQNOKSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+](C2CC2)C1 ZINC000457487794 560569956 /nfs/dbraw/zinc/56/99/56/560569956.db2.gz JEEJHTQKZAXMEH-MJGOQNOKSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1CN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCN(C2CC2)C1 ZINC000458429028 560622470 /nfs/dbraw/zinc/62/24/70/560622470.db2.gz MZRQUGMTLQDDDD-KRWDZBQOSA-N 1 3 370.541 2.211 20 0 FEADHO CN(C)C[C@H]1CN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000458987318 560660491 /nfs/dbraw/zinc/66/04/91/560660491.db2.gz YOTZQHJLPGUGPA-IBGZPJMESA-N 1 3 374.529 2.013 20 0 FEADHO CN(C)C[C@H]1CN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000458987318 560660493 /nfs/dbraw/zinc/66/04/93/560660493.db2.gz YOTZQHJLPGUGPA-IBGZPJMESA-N 1 3 374.529 2.013 20 0 FEADHO NC(=O)NC(=O)C[N@@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459529374 560692408 /nfs/dbraw/zinc/69/24/08/560692408.db2.gz DMQGXRTVMHKKMA-IBGZPJMESA-N 1 3 372.513 2.338 20 0 FEADHO NC(=O)NC(=O)C[N@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459529374 560692410 /nfs/dbraw/zinc/69/24/10/560692410.db2.gz DMQGXRTVMHKKMA-IBGZPJMESA-N 1 3 372.513 2.338 20 0 FEADHO CN(C)C1(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)Cc2ccccc2C1 ZINC000466004147 560877799 /nfs/dbraw/zinc/87/77/99/560877799.db2.gz IOWHYUFVBFDKHH-FQEVSTJZSA-N 1 3 370.541 2.355 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(CC)CCOCC1 ZINC000466619922 560891450 /nfs/dbraw/zinc/89/14/50/560891450.db2.gz QQSDLEIYVZCURY-SFHVURJKSA-N 1 3 368.566 2.251 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(CC)CCOCC1 ZINC000466619922 560891451 /nfs/dbraw/zinc/89/14/51/560891451.db2.gz QQSDLEIYVZCURY-SFHVURJKSA-N 1 3 368.566 2.251 20 0 FEADHO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000467290756 560907931 /nfs/dbraw/zinc/90/79/31/560907931.db2.gz JPWPXWPYUQNEII-KSZLIROESA-N 1 3 367.534 2.125 20 0 FEADHO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000467290756 560907932 /nfs/dbraw/zinc/90/79/32/560907932.db2.gz JPWPXWPYUQNEII-KSZLIROESA-N 1 3 367.534 2.125 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(OC)cc1F ZINC000467844899 560918655 /nfs/dbraw/zinc/91/86/55/560918655.db2.gz WOXSAOZDVVTSHK-QGZVFWFLSA-N 1 3 365.493 2.251 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(OC)cc1F ZINC000467844899 560918656 /nfs/dbraw/zinc/91/86/56/560918656.db2.gz WOXSAOZDVVTSHK-QGZVFWFLSA-N 1 3 365.493 2.251 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000468429118 560929682 /nfs/dbraw/zinc/92/96/82/560929682.db2.gz UBLPIFSXTDXGAP-FQEVSTJZSA-N 1 3 372.557 2.355 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCC[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000468429118 560929683 /nfs/dbraw/zinc/92/96/83/560929683.db2.gz UBLPIFSXTDXGAP-FQEVSTJZSA-N 1 3 372.557 2.355 20 0 FEADHO CCCN(CCC[NH+](C)C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000469220359 560950224 /nfs/dbraw/zinc/95/02/24/560950224.db2.gz JVWNQEXRYRZJCK-UHFFFAOYSA-N 1 3 360.546 2.459 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cnc(-c3ccccc3)[nH]2)C1)[C@H]1CCC[NH2+]1 ZINC000469848887 560966372 /nfs/dbraw/zinc/96/63/72/560966372.db2.gz ORHQZWVQWIOKIC-VQIMIIECSA-N 1 3 367.497 2.157 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2cnc(-c3ccccc3)[nH]2)C1)[C@@H]1CCC[NH2+]1 ZINC000469848885 560966451 /nfs/dbraw/zinc/96/64/51/560966451.db2.gz ORHQZWVQWIOKIC-LPHOPBHVSA-N 1 3 367.497 2.157 20 0 FEADHO O=C(NC[C@@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1)[C@H]1CCC[NH2+]1 ZINC000469854108 560966614 /nfs/dbraw/zinc/96/66/14/560966614.db2.gz LVIWHSGUGWMLSU-GOEBONIOSA-N 1 3 373.526 2.218 20 0 FEADHO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccc4c(c3)CNC4)CC2)C[C@H](C)O1 ZINC000470373315 560979899 /nfs/dbraw/zinc/97/98/99/560979899.db2.gz CTUGQNVBQNNKJW-HOTGVXAUSA-N 1 3 357.498 2.251 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000472182463 561020531 /nfs/dbraw/zinc/02/05/31/561020531.db2.gz NJZJJOMGIIGHDO-MOPGFXCFSA-N 1 3 353.551 2.456 20 0 FEADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1C1CCOCC1)c1ccccc1 ZINC000475147718 561091519 /nfs/dbraw/zinc/09/15/19/561091519.db2.gz HISMMQVGYRJEQI-UXHICEINSA-N 1 3 359.514 2.297 20 0 FEADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1C1CCOCC1)c1ccccc1 ZINC000475147718 561091520 /nfs/dbraw/zinc/09/15/20/561091520.db2.gz HISMMQVGYRJEQI-UXHICEINSA-N 1 3 359.514 2.297 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)CC1 ZINC000475362849 561095663 /nfs/dbraw/zinc/09/56/63/561095663.db2.gz PCHTXSAIFVKZOI-MJGOQNOKSA-N 1 3 359.514 2.460 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)CC1 ZINC000475362849 561095664 /nfs/dbraw/zinc/09/56/64/561095664.db2.gz PCHTXSAIFVKZOI-MJGOQNOKSA-N 1 3 359.514 2.460 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)c1cccc(OC)c1 ZINC000476739330 561127293 /nfs/dbraw/zinc/12/72/93/561127293.db2.gz ZPEAQZWPEMMLMS-MAUKXSAKSA-N 1 3 350.507 2.327 20 0 FEADHO CCc1c(C)[nH+]c2ccccc2c1NCCCCN1CCN(CCO)CC1 ZINC000477142124 561137720 /nfs/dbraw/zinc/13/77/20/561137720.db2.gz WTSBWUDYVXSEPT-UHFFFAOYSA-N 1 3 370.541 2.330 20 0 FEADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529339208 562369903 /nfs/dbraw/zinc/36/99/03/562369903.db2.gz NRQKOKLDTSABQB-AZUAARDMSA-N 1 3 374.529 2.049 20 0 FEADHO CC(C)(CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(=O)N1CCCC1 ZINC000530224554 562402981 /nfs/dbraw/zinc/40/29/81/562402981.db2.gz QZHADUZKFXXVIO-LAUBAEHRSA-N 1 3 357.498 2.481 20 0 FEADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240169 562403700 /nfs/dbraw/zinc/40/37/00/562403700.db2.gz YUQSKDWKROJCOY-YLJYHZDGSA-N 1 3 359.514 2.124 20 0 FEADHO CN1c2ccc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)cc2CCC1=O ZINC000530249005 562404230 /nfs/dbraw/zinc/40/42/30/562404230.db2.gz SISPPPVVAHSGMU-IBGZPJMESA-N 1 3 357.498 2.186 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000530273015 562404907 /nfs/dbraw/zinc/40/49/07/562404907.db2.gz JVQRVAQBVRXMQV-RTBURBONSA-N 1 3 351.535 2.303 20 0 FEADHO O=C(N1CCC[N@@H+](C2CCCC2)CC1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000530583477 562416770 /nfs/dbraw/zinc/41/67/70/562416770.db2.gz HCIKZXHUXVCFCY-QFIPXVFZSA-N 1 3 371.525 2.100 20 0 FEADHO O=C(N1CCC[N@H+](C2CCCC2)CC1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000530583477 562416771 /nfs/dbraw/zinc/41/67/71/562416771.db2.gz HCIKZXHUXVCFCY-QFIPXVFZSA-N 1 3 371.525 2.100 20 0 FEADHO CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530641654 562418720 /nfs/dbraw/zinc/41/87/20/562418720.db2.gz BGDRHFKNHKFQTO-MRXNPFEDSA-N 1 3 374.533 2.276 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000531118374 562435201 /nfs/dbraw/zinc/43/52/01/562435201.db2.gz JKSRQJOLWFAYBG-UHFFFAOYSA-N 1 3 358.486 2.226 20 0 FEADHO Cc1c(C(=O)N(CCN(C)C)CC[NH+](C)C)cnn1-c1cccc(C)c1 ZINC000531357646 562443141 /nfs/dbraw/zinc/44/31/41/562443141.db2.gz OQNTZFGYIYTSKB-UHFFFAOYSA-N 1 3 357.502 2.055 20 0 FEADHO COc1ccc(S[C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000531356990 562443276 /nfs/dbraw/zinc/44/32/76/562443276.db2.gz OMBCZBSJNDNXBA-OAHLLOKOSA-N 1 3 353.532 2.128 20 0 FEADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000531546670 562449391 /nfs/dbraw/zinc/44/93/91/562449391.db2.gz VHDSPUARFQHZER-UXHICEINSA-N 1 3 358.530 2.388 20 0 FEADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000531546670 562449392 /nfs/dbraw/zinc/44/93/92/562449392.db2.gz VHDSPUARFQHZER-UXHICEINSA-N 1 3 358.530 2.388 20 0 FEADHO Cc1ncc2c(n1)CCN(CCCC[N@@H+]1CCc3nc(C)ncc3C1)C2 ZINC000536540847 562578362 /nfs/dbraw/zinc/57/83/62/562578362.db2.gz XHUNBXAQLPTUIO-UHFFFAOYSA-N 1 3 352.486 2.080 20 0 FEADHO Cc1ncc2c(n1)CCN(CCCC[N@H+]1CCc3nc(C)ncc3C1)C2 ZINC000536540847 562578363 /nfs/dbraw/zinc/57/83/63/562578363.db2.gz XHUNBXAQLPTUIO-UHFFFAOYSA-N 1 3 352.486 2.080 20 0 FEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000540891267 562595787 /nfs/dbraw/zinc/59/57/87/562595787.db2.gz PMHFOXXESWDCFI-YLJYHZDGSA-N 1 3 358.530 2.482 20 0 FEADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000540891266 562595857 /nfs/dbraw/zinc/59/58/57/562595857.db2.gz PMHFOXXESWDCFI-XLIONFOSSA-N 1 3 358.530 2.482 20 0 FEADHO C[C@H]1CN(CC2CCN(C(=O)CCN(C)c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000540926403 562597179 /nfs/dbraw/zinc/59/71/79/562597179.db2.gz QXWUERAMCPYRRX-ROUUACIJSA-N 1 3 374.529 2.256 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](OCC)[C@]23CCCO3)[C@@H](C)C1 ZINC000546163048 562634612 /nfs/dbraw/zinc/63/46/12/562634612.db2.gz DEHXBOYTDFTQEU-KNJMJIDISA-N 1 3 354.535 2.440 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@H](OCC)[C@]23CCCO3)[C@@H](C)C1 ZINC000546163048 562634613 /nfs/dbraw/zinc/63/46/13/562634613.db2.gz DEHXBOYTDFTQEU-KNJMJIDISA-N 1 3 354.535 2.440 20 0 FEADHO COC(=O)c1csc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000602655978 568006099 /nfs/dbraw/zinc/00/60/99/568006099.db2.gz JRXWMQOIHIXXJM-INIZCTEOSA-N 1 3 351.516 2.135 20 0 FEADHO C[NH+](C)CCOC1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000604161324 568218478 /nfs/dbraw/zinc/21/84/78/568218478.db2.gz YQXFGTMOYTWCHJ-IBGZPJMESA-N 1 3 374.529 2.013 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)N2CCC(OCCN(C)C)CC2)CC1 ZINC000604188369 568223053 /nfs/dbraw/zinc/22/30/53/568223053.db2.gz OKRPFHVKYWJWMY-UHFFFAOYSA-N 1 3 354.539 2.003 20 0 FEADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000564716036 675054763 /nfs/dbraw/zinc/05/47/63/675054763.db2.gz CWPNWTFPXMASSP-RYTJFDOTSA-N 1 3 366.575 2.163 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3C[C@H](C)O[C@@H]3C)CC2)CC1 ZINC000565210289 675102744 /nfs/dbraw/zinc/10/27/44/675102744.db2.gz VZUMTSOZDOPQIM-JZXOWHBKSA-N 1 3 351.535 2.112 20 0 FEADHO COc1cc(C[NH2+]C2CCN(C(C)C)CC2)cc(Cl)c1OCC(N)=O ZINC000070983614 670493581 /nfs/dbraw/zinc/49/35/81/670493581.db2.gz OKAPZGWECRKEOB-UHFFFAOYSA-N 1 3 369.893 2.175 20 0 FEADHO CC[NH+]1CCC(N2CCCN(CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC000817286350 675117514 /nfs/dbraw/zinc/11/75/14/675117514.db2.gz SYXGFSXTGFBVDK-UHFFFAOYSA-N 1 3 354.539 2.003 20 0 FEADHO CCCCCCN(C)CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111616448 670859644 /nfs/dbraw/zinc/85/96/44/670859644.db2.gz MGFLFSGIOVWIDL-LJQANCHMSA-N 1 3 352.567 2.127 20 0 FEADHO CCCCCCN(C)CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111616448 670859655 /nfs/dbraw/zinc/85/96/55/670859655.db2.gz MGFLFSGIOVWIDL-LJQANCHMSA-N 1 3 352.567 2.127 20 0 FEADHO CN(CCCN(C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O)CC[NH+](C)C ZINC000571359057 670861522 /nfs/dbraw/zinc/86/15/22/670861522.db2.gz JFYCZCDHIZHYGN-SFHVURJKSA-N 1 3 366.937 2.261 20 0 FEADHO C[C@@H](N[C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000565884013 675158154 /nfs/dbraw/zinc/15/81/54/675158154.db2.gz WMBAHRMYVMMNAB-HUUCEWRRSA-N 1 3 354.516 2.243 20 0 FEADHO COCCC[NH+]1CCC(NC[C@@H](O)COc2ccccc2Cl)CC1 ZINC000573437750 671122403 /nfs/dbraw/zinc/12/24/03/671122403.db2.gz HZYUTPCHWKAMSE-MRXNPFEDSA-N 1 3 356.894 2.170 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[NH2+]1 ZINC000574142265 671207171 /nfs/dbraw/zinc/20/71/71/671207171.db2.gz XBGGQNGWVVLCMG-UJHNXHIOSA-N 1 3 362.440 2.231 20 0 FEADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817917911 675186211 /nfs/dbraw/zinc/18/62/11/675186211.db2.gz VKGYYJALQJVCKZ-RISCZKNCSA-N 1 3 366.405 2.076 20 0 FEADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000580097212 671782878 /nfs/dbraw/zinc/78/28/78/671782878.db2.gz DXZHNVHKEBBBNE-ZDUSSCGKSA-N 1 3 352.866 2.296 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)CCCC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000580810170 671835439 /nfs/dbraw/zinc/83/54/39/671835439.db2.gz AYJDLWKVUALVKN-QZTJIDSGSA-N 1 3 353.551 2.456 20 0 FEADHO CC[C@H](C)[C@@](C)(O)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000582428874 672001501 /nfs/dbraw/zinc/00/15/01/672001501.db2.gz CEILUIXVMBQYOJ-JXFKEZNVSA-N 1 3 353.551 2.096 20 0 FEADHO CCN(CC)CCN1c2ccccc2N(CC[NH+](CC)CC)S1(=O)=O ZINC000154478000 672217117 /nfs/dbraw/zinc/21/71/17/672217117.db2.gz ZIFLDKRAYBMDKA-UHFFFAOYSA-N 1 3 368.547 2.241 20 0 FEADHO CC(C)N1CCN(CCC[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000192995445 672709106 /nfs/dbraw/zinc/70/91/06/672709106.db2.gz UBBVXWIPSKPIBZ-QGZVFWFLSA-N 1 3 356.555 2.248 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000192995445 672709111 /nfs/dbraw/zinc/70/91/11/672709111.db2.gz UBBVXWIPSKPIBZ-QGZVFWFLSA-N 1 3 356.555 2.248 20 0 FEADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000327491671 673060612 /nfs/dbraw/zinc/06/06/12/673060612.db2.gz NZCGRWUOKAUSEB-WBVHZDCISA-N 1 3 355.404 2.482 20 0 FEADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000390765596 673160467 /nfs/dbraw/zinc/16/04/67/673160467.db2.gz DWAZKNXAZPZCTA-DOTOQJQBSA-N 1 3 355.404 2.309 20 0 FEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000390765599 673160590 /nfs/dbraw/zinc/16/05/90/673160590.db2.gz DWAZKNXAZPZCTA-WBVHZDCISA-N 1 3 355.404 2.309 20 0 FEADHO CSCC1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000596612353 673397624 /nfs/dbraw/zinc/39/76/24/673397624.db2.gz NZZPXUSVRZQYJW-GTPINHCMSA-N 1 3 358.596 2.479 20 0 FEADHO CSCC1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000596612353 673397627 /nfs/dbraw/zinc/39/76/27/673397627.db2.gz NZZPXUSVRZQYJW-GTPINHCMSA-N 1 3 358.596 2.479 20 0 FEADHO CCN1CCN(C[C@@H](C)CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000545309179 673757864 /nfs/dbraw/zinc/75/78/64/673757864.db2.gz LGJRSOFBZFIKAC-SFHVURJKSA-N 1 3 352.567 2.031 20 0 FEADHO CCN1CCN(C[C@@H](C)CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000545309179 673757867 /nfs/dbraw/zinc/75/78/67/673757867.db2.gz LGJRSOFBZFIKAC-SFHVURJKSA-N 1 3 352.567 2.031 20 0 FEADHO C[NH+](C)CCOc1cc(CNC[C@@H](O)c2ccc(F)cc2F)ccn1 ZINC000819195913 675268602 /nfs/dbraw/zinc/26/86/02/675268602.db2.gz MQISJNVZDHRUCW-QGZVFWFLSA-N 1 3 351.397 2.123 20 0 FEADHO CO[C@H](C[NH3+])C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000567227610 675276880 /nfs/dbraw/zinc/27/68/80/675276880.db2.gz SKZSAHIETKJVGR-MRXNPFEDSA-N 1 3 374.312 2.392 20 0 FEADHO CSC1(CNC(=O)NC[C@H](c2ccccc2)N(C)C)CC[NH+](C)CC1 ZINC000567291738 675281636 /nfs/dbraw/zinc/28/16/36/675281636.db2.gz OTMUAGJLVJHQAM-QGZVFWFLSA-N 1 3 364.559 2.416 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)COc2ccccc2Cl)CCCO1 ZINC000567700076 675314239 /nfs/dbraw/zinc/31/42/39/675314239.db2.gz DYNJJFJBCCYXLG-CVEARBPZSA-N 1 3 356.894 2.170 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)COc2ccccc2Cl)CCCO1 ZINC000567700076 675314241 /nfs/dbraw/zinc/31/42/41/675314241.db2.gz DYNJJFJBCCYXLG-CVEARBPZSA-N 1 3 356.894 2.170 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(C(=O)[C@H](OC)C3CCCC3)CC2)CC1 ZINC000616381471 676248092 /nfs/dbraw/zinc/24/80/92/676248092.db2.gz RJVSKIYRONRDIA-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO CCN1CCC([N@H+]2CCCN(C(=O)[C@H](OC)C3CCCC3)CC2)CC1 ZINC000616381471 676248093 /nfs/dbraw/zinc/24/80/93/676248093.db2.gz RJVSKIYRONRDIA-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO COc1ccc(Cl)cc1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503947 676288763 /nfs/dbraw/zinc/28/87/63/676288763.db2.gz BQBHHIDFEYYHMJ-AWEZNQCLSA-N 1 3 355.910 2.279 20 0 FEADHO COc1ccc(Cl)cc1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503947 676288764 /nfs/dbraw/zinc/28/87/64/676288764.db2.gz BQBHHIDFEYYHMJ-AWEZNQCLSA-N 1 3 355.910 2.279 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000617504231 676288935 /nfs/dbraw/zinc/28/89/35/676288935.db2.gz LSPKQTLZBOIISX-GOEBONIOSA-N 1 3 367.921 2.279 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000617504231 676288937 /nfs/dbraw/zinc/28/89/37/676288937.db2.gz LSPKQTLZBOIISX-GOEBONIOSA-N 1 3 367.921 2.279 20 0 FEADHO COC[C@]1(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCCCN1 ZINC000638086710 677139651 /nfs/dbraw/zinc/13/96/51/677139651.db2.gz UVMQIEVTUQZBQW-BJLQDIEVSA-N 1 3 351.535 2.258 20 0 FEADHO COC[C@]1(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CCCCN1 ZINC000638086710 677139652 /nfs/dbraw/zinc/13/96/52/677139652.db2.gz UVMQIEVTUQZBQW-BJLQDIEVSA-N 1 3 351.535 2.258 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccn(C(F)F)c2=O)[C@@H](C)C1 ZINC000638593982 677147577 /nfs/dbraw/zinc/14/75/77/677147577.db2.gz BBQYKQMQLWMDLN-HOCLYGCPSA-N 1 3 357.445 2.470 20 0 FEADHO CN1CCC(N(Cc2ccco2)C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760467636 680688696 /nfs/dbraw/zinc/68/86/96/680688696.db2.gz XJKVPIWYGYNIBV-UHFFFAOYSA-N 1 3 364.559 2.392 20 0 FEADHO COc1cc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc(OC)c1O ZINC000650708737 677387015 /nfs/dbraw/zinc/38/70/15/677387015.db2.gz KNOUMZQDCFSDLI-HRCADAONSA-N 1 3 350.459 2.128 20 0 FEADHO [NH3+]CC1(CCNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000652185322 677475041 /nfs/dbraw/zinc/47/50/41/677475041.db2.gz DVSHCZZYAAGXEO-UHFFFAOYSA-N 1 3 362.440 2.220 20 0 FEADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348151 677481066 /nfs/dbraw/zinc/48/10/66/677481066.db2.gz VZQOXNLALUIATC-MTHXSQLBSA-N 1 3 351.535 2.242 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cncc(Br)c2C)CC1 ZINC000657311464 677994011 /nfs/dbraw/zinc/99/40/11/677994011.db2.gz ZMQDTSLYZWXCAZ-ZDUSSCGKSA-N 1 3 355.324 2.268 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])c1cccc(OC)c1 ZINC000659429990 678176538 /nfs/dbraw/zinc/17/65/38/678176538.db2.gz TVBUMUAPWFWCIU-KRWDZBQOSA-N 1 3 350.507 2.457 20 0 FEADHO C[NH2+]C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000659635139 678194333 /nfs/dbraw/zinc/19/43/33/678194333.db2.gz AVSLTYHXXNSQTM-ZDUSSCGKSA-N 1 3 360.424 2.387 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662696540 678652140 /nfs/dbraw/zinc/65/21/40/678652140.db2.gz NHCANIZTZHAREK-UKPHBRMFSA-N 1 3 355.404 2.480 20 0 FEADHO COc1ccc(OC)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000665157774 678943597 /nfs/dbraw/zinc/94/35/97/678943597.db2.gz ALOOKRUECWIAPD-AWEZNQCLSA-N 1 3 352.479 2.097 20 0 FEADHO COc1ccc(OC)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000665157774 678943598 /nfs/dbraw/zinc/94/35/98/678943598.db2.gz ALOOKRUECWIAPD-AWEZNQCLSA-N 1 3 352.479 2.097 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2cc(F)ccc2C1 ZINC000665760153 678982248 /nfs/dbraw/zinc/98/22/48/678982248.db2.gz AIJWOJCWGOSVEV-HNNXBMFYSA-N 1 3 350.482 2.165 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2cc(F)ccc2C1 ZINC000665760153 678982249 /nfs/dbraw/zinc/98/22/49/678982249.db2.gz AIJWOJCWGOSVEV-HNNXBMFYSA-N 1 3 350.482 2.165 20 0 FEADHO C[NH+]1CCC(N2CC[C@@H](NCc3cccc4c3OC(F)(F)O4)C2)CC1 ZINC000666272096 679012611 /nfs/dbraw/zinc/01/26/11/679012611.db2.gz LUFPYZFCVDBDIQ-CQSZACIVSA-N 1 3 353.413 2.266 20 0 FEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc2cnccc2s1 ZINC000667812609 679127743 /nfs/dbraw/zinc/12/77/43/679127743.db2.gz RPDRPTKEEDARPF-AWEZNQCLSA-N 1 3 361.515 2.179 20 0 FEADHO CC[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834531443 680239124 /nfs/dbraw/zinc/23/91/24/680239124.db2.gz ZFYFKDUDNZRECP-YESZJQIVSA-N 1 3 355.523 2.211 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3scnc3C)C2)CC[N@@H+]1C ZINC001028551909 680375875 /nfs/dbraw/zinc/37/58/75/680375875.db2.gz BBGWEKGBTDZZRC-OWCLPIDISA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3scnc3C)C2)CC[N@H+]1C ZINC001028551909 680375878 /nfs/dbraw/zinc/37/58/78/680375878.db2.gz BBGWEKGBTDZZRC-OWCLPIDISA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cc(C)ns3)C2)CC[N@@H+]1C ZINC000999202062 680398633 /nfs/dbraw/zinc/39/86/33/680398633.db2.gz VGVDPRXGMIGNLE-BHYGNILZSA-N 1 3 350.532 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cc(C)ns3)C2)CC[N@H+]1C ZINC000999202062 680398635 /nfs/dbraw/zinc/39/86/35/680398635.db2.gz VGVDPRXGMIGNLE-BHYGNILZSA-N 1 3 350.532 2.262 20 0 FEADHO Cc1ncsc1CN1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001417430 680461100 /nfs/dbraw/zinc/46/11/00/680461100.db2.gz CLLWDFFWOJTSSG-GDBMZVCRSA-N 1 3 350.532 2.120 20 0 FEADHO Cc1ncsc1CN1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001001417430 680461102 /nfs/dbraw/zinc/46/11/02/680461102.db2.gz CLLWDFFWOJTSSG-GDBMZVCRSA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(CCc3scnc3C)C2)CC[N@@H+]1C ZINC001046329967 680646088 /nfs/dbraw/zinc/64/60/88/680646088.db2.gz DONVFIOWZWMNSM-FCEWJHQRSA-N 1 3 364.559 2.305 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(CCc3scnc3C)C2)CC[N@H+]1C ZINC001046329967 680646091 /nfs/dbraw/zinc/64/60/91/680646091.db2.gz DONVFIOWZWMNSM-FCEWJHQRSA-N 1 3 364.559 2.305 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc(Cl)n1 ZINC000841850426 680914718 /nfs/dbraw/zinc/91/47/18/680914718.db2.gz SUWZFJRGKKQRPZ-OAHLLOKOSA-N 1 3 350.894 2.426 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2C[C@@H](CC[NH3+])c3ccccc32)cc1 ZINC000842796571 680967465 /nfs/dbraw/zinc/96/74/65/680967465.db2.gz IDKMRKQTYHLOBC-MRXNPFEDSA-N 1 3 359.495 2.390 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)Nc2cnn(C3CC[NH2+]CC3)c2)cc(Cl)n1 ZINC000843456860 681004847 /nfs/dbraw/zinc/00/48/47/681004847.db2.gz LUDGWNOFXFWDGQ-HNNXBMFYSA-N 1 3 362.865 2.193 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNCc3nccs3)CC2)CC[N@@H+]1C ZINC001050327782 681045429 /nfs/dbraw/zinc/04/54/29/681045429.db2.gz DDAFZKQDCIUDTQ-KLHDSHLOSA-N 1 3 350.532 2.248 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](CNCc3nccs3)CC2)CC[N@H+]1C ZINC001050327782 681045431 /nfs/dbraw/zinc/04/54/31/681045431.db2.gz DDAFZKQDCIUDTQ-KLHDSHLOSA-N 1 3 350.532 2.248 20 0 FEADHO C[C@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000772277508 681091241 /nfs/dbraw/zinc/09/12/41/681091241.db2.gz PKSUWWILONGOMI-SNRMKQJTSA-N 1 3 351.922 2.331 20 0 FEADHO C[C@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000772277508 681091242 /nfs/dbraw/zinc/09/12/42/681091242.db2.gz PKSUWWILONGOMI-SNRMKQJTSA-N 1 3 351.922 2.331 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)CN(CC(C)C)CCO3)CC[N@@H+]1C ZINC000949373452 681636458 /nfs/dbraw/zinc/63/64/58/681636458.db2.gz VPAKMRLJDQYJOE-ZWKOTPCHSA-N 1 3 351.535 2.066 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)CN(CC(C)C)CCO3)CC[N@H+]1C ZINC000949373452 681636463 /nfs/dbraw/zinc/63/64/63/681636463.db2.gz VPAKMRLJDQYJOE-ZWKOTPCHSA-N 1 3 351.535 2.066 20 0 FEADHO CC(=O)Nc1ccc(NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000849277110 681675866 /nfs/dbraw/zinc/67/58/66/681675866.db2.gz UYSAVAFYYWPJHF-AWEZNQCLSA-N 1 3 365.547 2.203 20 0 FEADHO CC(=O)Nc1ccc(NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000849277110 681675869 /nfs/dbraw/zinc/67/58/69/681675869.db2.gz UYSAVAFYYWPJHF-AWEZNQCLSA-N 1 3 365.547 2.203 20 0 FEADHO CC(C)N1CCC([N@H+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000851744492 682117859 /nfs/dbraw/zinc/11/78/59/682117859.db2.gz GXVOGTHDXDXOHF-KRWDZBQOSA-N 1 3 355.523 2.427 20 0 FEADHO CC(C)N1CCC([N@@H+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000851744492 682117863 /nfs/dbraw/zinc/11/78/63/682117863.db2.gz GXVOGTHDXDXOHF-KRWDZBQOSA-N 1 3 355.523 2.427 20 0 FEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000851854227 682163539 /nfs/dbraw/zinc/16/35/39/682163539.db2.gz RCTPDSQGBLFXJP-ULQDDVLXSA-N 1 3 357.539 2.313 20 0 FEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000851854227 682163540 /nfs/dbraw/zinc/16/35/40/682163540.db2.gz RCTPDSQGBLFXJP-ULQDDVLXSA-N 1 3 357.539 2.313 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CN(CCC(C)(C)C)CCO3)CC[N@@H+]1C ZINC000972389836 682412490 /nfs/dbraw/zinc/41/24/90/682412490.db2.gz YWUDZTODBZVUNB-MBOZVWFJSA-N 1 3 351.535 2.066 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(C2)CN(CCC(C)(C)C)CCO3)CC[N@H+]1C ZINC000972389836 682412492 /nfs/dbraw/zinc/41/24/92/682412492.db2.gz YWUDZTODBZVUNB-MBOZVWFJSA-N 1 3 351.535 2.066 20 0 FEADHO CN(C)S(=O)(=O)Cc1ccc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925804092 683038843 /nfs/dbraw/zinc/03/88/43/683038843.db2.gz BYBCWIXHWQAYNV-SJORKVTESA-N 1 3 353.532 2.074 20 0 FEADHO CCO[C@H](CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)C[NH+](C)C ZINC000926841896 683179429 /nfs/dbraw/zinc/17/94/29/683179429.db2.gz AIECMHDYSUXOJW-SJORKVTESA-N 1 3 370.925 2.209 20 0 FEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000930113354 683681063 /nfs/dbraw/zinc/68/10/63/683681063.db2.gz KNTKLFXAMVQIIW-HOTGVXAUSA-N 1 3 351.457 2.444 20 0 FEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000930113354 683681064 /nfs/dbraw/zinc/68/10/64/683681064.db2.gz KNTKLFXAMVQIIW-HOTGVXAUSA-N 1 3 351.457 2.444 20 0 FEADHO Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)NCC2([NH+](C)C)CC2)C1 ZINC000922998797 683816891 /nfs/dbraw/zinc/81/68/91/683816891.db2.gz YLMWTFDFLWROOJ-OAHLLOKOSA-N 1 3 365.547 2.009 20 0 FEADHO CN(C)C[C@@H](NC(=S)NCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000865242948 683955255 /nfs/dbraw/zinc/95/52/55/683955255.db2.gz IOZNOPGYWKFUQE-CQSZACIVSA-N 1 3 362.465 2.334 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nc2c(s1)CCCC2 ZINC000923199530 684239706 /nfs/dbraw/zinc/23/97/06/684239706.db2.gz RVSMOZUKHRQXTR-AWEZNQCLSA-N 1 3 367.563 2.093 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nc2c(s1)CCCC2 ZINC000923199530 684239709 /nfs/dbraw/zinc/23/97/09/684239709.db2.gz RVSMOZUKHRQXTR-AWEZNQCLSA-N 1 3 367.563 2.093 20 0 FEADHO Brc1ccc2c(c1)[C@H](NC[C@@H]1CC3(C[NH2+]C3)CO1)CCO2 ZINC000923432162 684280442 /nfs/dbraw/zinc/28/04/42/684280442.db2.gz JUSUDNLPGXGUPS-GXTWGEPZSA-N 1 3 353.260 2.241 20 0 FEADHO [NH3+]CC[C@H]1CCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000923493169 684291942 /nfs/dbraw/zinc/29/19/42/684291942.db2.gz RQHQOFJWCMYUAP-WFASDCNBSA-N 1 3 357.376 2.361 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(N)ccc3Cl)CC2)CC1 ZINC000870876563 684765755 /nfs/dbraw/zinc/76/57/55/684765755.db2.gz RVEZCAQAWNKPDL-UHFFFAOYSA-N 1 3 350.894 2.211 20 0 FEADHO C[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000873259026 685102187 /nfs/dbraw/zinc/10/21/87/685102187.db2.gz XRPXTQVWAKMLAP-CIUDSAMLSA-N 1 3 352.287 2.029 20 0 FEADHO C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000873251868 685102301 /nfs/dbraw/zinc/10/23/01/685102301.db2.gz XRPXTQVWAKMLAP-HLTSFMKQSA-N 1 3 352.287 2.029 20 0 FEADHO CC1CCN([C@@H](CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)c2cccs2)CC1 ZINC000876710216 686249762 /nfs/dbraw/zinc/24/97/62/686249762.db2.gz HKHDITPTFMXXSZ-YDHLFZDLSA-N 1 3 357.470 2.477 20 0 FEADHO COc1ccc(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(F)c1OC ZINC000885979874 688191240 /nfs/dbraw/zinc/19/12/40/688191240.db2.gz NYMXCGRDLKUTQX-OAHLLOKOSA-N 1 3 351.466 2.101 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccsc1 ZINC000891878702 689121513 /nfs/dbraw/zinc/12/15/13/689121513.db2.gz XBZCUGSMWVPBDC-IXDOHACOSA-N 1 3 350.532 2.334 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccsc1 ZINC000891878702 689121517 /nfs/dbraw/zinc/12/15/17/689121517.db2.gz XBZCUGSMWVPBDC-IXDOHACOSA-N 1 3 350.532 2.334 20 0 FEADHO CN1CCC[N@H+](CCCNCc2cnc(CC(F)(F)F)s2)CC1 ZINC000893320421 689331877 /nfs/dbraw/zinc/33/18/77/689331877.db2.gz ZKERZJJTKNRQOT-UHFFFAOYSA-N 1 3 350.454 2.365 20 0 FEADHO CN1CCC[N@@H+](CCCNCc2cnc(CC(F)(F)F)s2)CC1 ZINC000893320421 689331879 /nfs/dbraw/zinc/33/18/79/689331879.db2.gz ZKERZJJTKNRQOT-UHFFFAOYSA-N 1 3 350.454 2.365 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(C(=O)OC)c(C(C)C)[nH]2)CC1 ZINC000894175026 689480979 /nfs/dbraw/zinc/48/09/79/689480979.db2.gz BNWZTSOZJQAUED-OAHLLOKOSA-N 1 3 350.507 2.040 20 0 FEADHO COc1ccc(CN(C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1OC(F)F ZINC000903725056 690967333 /nfs/dbraw/zinc/96/73/33/690967333.db2.gz VQZRXTDTVBSKJY-RDTXWAMCSA-N 1 3 356.413 2.497 20 0 FEADHO FC(F)(F)c1ccn([C@@H]2CCCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903756908 690970468 /nfs/dbraw/zinc/97/04/68/690970468.db2.gz XCNVGZWMNCCLKX-YCPHGPKFSA-N 1 3 358.408 2.307 20 0 FEADHO Cn1c(Cl)nc(Cl)c1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980108 690991607 /nfs/dbraw/zinc/99/16/07/690991607.db2.gz HQSNTUOWFAIARS-BETUJISGSA-N 1 3 358.317 2.128 20 0 FEADHO Cc1nc(N2CCN(CCc3ccccn3)CC2)cc(N2CCCC2)[nH+]1 ZINC001165053458 722008856 /nfs/dbraw/zinc/00/88/56/722008856.db2.gz GRXXPQMTDDGANI-UHFFFAOYSA-N 1 3 352.486 2.145 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCCN2CCCC[C@H]2C)c1 ZINC000041666466 540029563 /nfs/dbraw/zinc/02/95/63/540029563.db2.gz MSHBZAFIMFVQPO-QGZVFWFLSA-N 1 3 374.529 2.458 20 0 FEADHO C[C@H]1CCCCN1CCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000045794129 540227911 /nfs/dbraw/zinc/22/79/11/540227911.db2.gz IHZYAJDLLVVBSH-KRWDZBQOSA-N 1 3 362.518 2.301 20 0 FEADHO Cc1noc(Cl)c1CCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051463892 540435057 /nfs/dbraw/zinc/43/50/57/540435057.db2.gz ASCPFJUVMKFEIK-UHFFFAOYSA-N 1 3 368.909 2.244 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4ccccc4C3)CC2)CC1 ZINC000051758554 540442747 /nfs/dbraw/zinc/44/27/47/540442747.db2.gz KBYZJEPWKSNQGX-UHFFFAOYSA-N 1 3 356.514 2.313 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCOc3ccccc3)CC2)CC1 ZINC000051759204 540443150 /nfs/dbraw/zinc/44/31/50/540443150.db2.gz UGZLTPGUKNGNQX-UHFFFAOYSA-N 1 3 374.529 2.313 20 0 FEADHO Cc1ccccc1OCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761374 540443538 /nfs/dbraw/zinc/44/35/38/540443538.db2.gz ZADVZHLBZSMWMF-UHFFFAOYSA-N 1 3 374.529 2.232 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000076318589 542259995 /nfs/dbraw/zinc/25/99/95/542259995.db2.gz FZPWWXFWBSCELZ-SFNKJDCFSA-N 1 3 353.551 2.262 20 0 FEADHO CCCN(C)CC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000063756056 541183782 /nfs/dbraw/zinc/18/37/82/541183782.db2.gz DSIGIVAEADRKOG-UHFFFAOYSA-N 1 3 360.546 2.355 20 0 FEADHO CC(C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)S(C)(=O)=O ZINC000069019019 541648675 /nfs/dbraw/zinc/64/86/75/541648675.db2.gz AUWSPSMQGHFHOK-OAHLLOKOSA-N 1 3 352.500 2.112 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ccccc1F ZINC000073500579 541960051 /nfs/dbraw/zinc/96/00/51/541960051.db2.gz ONXMMKTUMAJPGH-GOSISDBHSA-N 1 3 364.509 2.426 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ccccc1F ZINC000073500579 541960052 /nfs/dbraw/zinc/96/00/52/541960052.db2.gz ONXMMKTUMAJPGH-GOSISDBHSA-N 1 3 364.509 2.426 20 0 FEADHO CC[NH+]1CCN(CCNC(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000073639790 541979934 /nfs/dbraw/zinc/97/99/34/541979934.db2.gz CPNUHJYCRJCTGA-UHFFFAOYSA-N 1 3 353.470 2.193 20 0 FEADHO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000073895224 542011898 /nfs/dbraw/zinc/01/18/98/542011898.db2.gz XMXLRYRBRIHZRB-GOSISDBHSA-N 1 3 364.486 2.018 20 0 FEADHO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)cc1 ZINC000073895224 542011900 /nfs/dbraw/zinc/01/19/00/542011900.db2.gz XMXLRYRBRIHZRB-GOSISDBHSA-N 1 3 364.486 2.018 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000083019278 542689455 /nfs/dbraw/zinc/68/94/55/542689455.db2.gz BXBSGOSTTSRVLB-KRWDZBQOSA-N 1 3 354.539 2.049 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000083019278 542689459 /nfs/dbraw/zinc/68/94/59/542689459.db2.gz BXBSGOSTTSRVLB-KRWDZBQOSA-N 1 3 354.539 2.049 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000084432452 542714549 /nfs/dbraw/zinc/71/45/49/542714549.db2.gz LMZIAVYJEVJXOQ-DLBZAZTESA-N 1 3 350.532 2.448 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000084432452 542714552 /nfs/dbraw/zinc/71/45/52/542714552.db2.gz LMZIAVYJEVJXOQ-DLBZAZTESA-N 1 3 350.532 2.448 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccc(OC)c1 ZINC000101602722 543036191 /nfs/dbraw/zinc/03/61/91/543036191.db2.gz GHLBRWVOYGWJKM-SFHVURJKSA-N 1 3 362.518 2.253 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccc(OC)c1 ZINC000101602722 543036192 /nfs/dbraw/zinc/03/61/92/543036192.db2.gz GHLBRWVOYGWJKM-SFHVURJKSA-N 1 3 362.518 2.253 20 0 FEADHO CC[C@H](CNC(=O)NCC1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000105126202 543160753 /nfs/dbraw/zinc/16/07/53/543160753.db2.gz JMKDIRYWWBNGCK-HXUWFJFHSA-N 1 3 358.530 2.464 20 0 FEADHO CC1CCN(C[C@H](O)CNC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000109167171 543316289 /nfs/dbraw/zinc/31/62/89/543316289.db2.gz PQAMWSJXUKDZNZ-LJQANCHMSA-N 1 3 368.566 2.033 20 0 FEADHO CC1CCN(C[C@H](O)CNC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000109167171 543316293 /nfs/dbraw/zinc/31/62/93/543316293.db2.gz PQAMWSJXUKDZNZ-LJQANCHMSA-N 1 3 368.566 2.033 20 0 FEADHO CN(CC1CC[NH+](C)CC1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111608520 543409062 /nfs/dbraw/zinc/40/90/62/543409062.db2.gz ULLTUIDVVQZAKS-UHFFFAOYSA-N 1 3 372.557 2.389 20 0 FEADHO CC(C)[NH2+]C1CCN(C(=O)NC2CCN(CCc3ccncc3)CC2)CC1 ZINC000111848805 543419775 /nfs/dbraw/zinc/41/97/75/543419775.db2.gz DLONNVUECYBATE-UHFFFAOYSA-N 1 3 373.545 2.261 20 0 FEADHO CCC[NH+]1CCC(N2CCN(CCCOCC(F)(F)F)CC2)CC1 ZINC000112358404 543443375 /nfs/dbraw/zinc/44/33/75/543443375.db2.gz QIAGNBWGKWGMRM-UHFFFAOYSA-N 1 3 351.457 2.447 20 0 FEADHO Cc1cc(C)n(-c2ccccc2NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000119828932 543672643 /nfs/dbraw/zinc/67/26/43/543672643.db2.gz LTTNDALZLNKMDQ-UHFFFAOYSA-N 1 3 372.517 2.446 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nnc3n2CCCCC3)[C@H](C)C1 ZINC000126599163 543945938 /nfs/dbraw/zinc/94/59/38/543945938.db2.gz GAVUHOWHLLVILQ-MSOLQXFVSA-N 1 3 363.550 2.274 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NCCc2nnc3n2CCCCC3)[C@H](C)C1 ZINC000126599163 543945942 /nfs/dbraw/zinc/94/59/42/543945942.db2.gz GAVUHOWHLLVILQ-MSOLQXFVSA-N 1 3 363.550 2.274 20 0 FEADHO CN1CCC(N2CCC([NH2+]C3CCN(CC(F)(F)F)CC3)CC2)CC1 ZINC000128020341 544028081 /nfs/dbraw/zinc/02/80/81/544028081.db2.gz MGODNDUVFCCDNK-UHFFFAOYSA-N 1 3 362.484 2.161 20 0 FEADHO C[C@H](c1ccccn1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127504595 543997262 /nfs/dbraw/zinc/99/72/62/543997262.db2.gz TWDHWCGCBRUYSQ-MRXNPFEDSA-N 1 3 359.518 2.343 20 0 FEADHO COCCCN1CCC(NC(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000127682894 544008316 /nfs/dbraw/zinc/00/83/16/544008316.db2.gz MNKTXGZAIOVROR-QGZVFWFLSA-N 1 3 366.550 2.146 20 0 FEADHO COCCCN1CCC(NC(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)CC1 ZINC000127682894 544008318 /nfs/dbraw/zinc/00/83/18/544008318.db2.gz MNKTXGZAIOVROR-QGZVFWFLSA-N 1 3 366.550 2.146 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000128273027 544042927 /nfs/dbraw/zinc/04/29/27/544042927.db2.gz YHVQPYZENUFQAU-QGZVFWFLSA-N 1 3 360.502 2.321 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)N1CCc2ccccc2C1 ZINC000129507729 544116028 /nfs/dbraw/zinc/11/60/28/544116028.db2.gz CUDCQJLRNCWEDO-FXAWDEMLSA-N 1 3 358.530 2.416 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000129867773 544130158 /nfs/dbraw/zinc/13/01/58/544130158.db2.gz QOWZBYRPUGXQCB-LJQANCHMSA-N 1 3 374.529 2.442 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000129867773 544130160 /nfs/dbraw/zinc/13/01/60/544130160.db2.gz QOWZBYRPUGXQCB-LJQANCHMSA-N 1 3 374.529 2.442 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000130134018 544139848 /nfs/dbraw/zinc/13/98/48/544139848.db2.gz OWLWKGOZWJNGHN-DOMZBBRYSA-N 1 3 354.292 2.109 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000130134018 544139850 /nfs/dbraw/zinc/13/98/50/544139850.db2.gz OWLWKGOZWJNGHN-DOMZBBRYSA-N 1 3 354.292 2.109 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000133814137 544284083 /nfs/dbraw/zinc/28/40/83/544284083.db2.gz JAIMFAMOMDLXKU-DLBZAZTESA-N 1 3 371.529 2.391 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000133814137 544284086 /nfs/dbraw/zinc/28/40/86/544284086.db2.gz JAIMFAMOMDLXKU-DLBZAZTESA-N 1 3 371.529 2.391 20 0 FEADHO Cc1noc(C)c1[C@@H](C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000151599440 544560982 /nfs/dbraw/zinc/56/09/82/544560982.db2.gz RRRSKLSQWLUDQJ-AWEZNQCLSA-N 1 3 362.518 2.460 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H](O)COc1ccc(F)cc1 ZINC000152575486 544669603 /nfs/dbraw/zinc/66/96/03/544669603.db2.gz QBUVFCTWKHHRGE-LQJIQPLVSA-N 1 3 366.477 2.044 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H](O)COc1ccc(F)cc1 ZINC000152575486 544669607 /nfs/dbraw/zinc/66/96/07/544669607.db2.gz QBUVFCTWKHHRGE-LQJIQPLVSA-N 1 3 366.477 2.044 20 0 FEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@]2(CCOC2)C1 ZINC000154038565 544856966 /nfs/dbraw/zinc/85/69/66/544856966.db2.gz MNLCEMAACMQMJF-AVRDEDQJSA-N 1 3 371.525 2.268 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)N(C)C)cc1 ZINC000155013330 544976819 /nfs/dbraw/zinc/97/68/19/544976819.db2.gz QOQMPJKGENZZMX-WOJBJXKFSA-N 1 3 359.514 2.357 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)N(C)C)cc1 ZINC000155013330 544976822 /nfs/dbraw/zinc/97/68/22/544976822.db2.gz QOQMPJKGENZZMX-WOJBJXKFSA-N 1 3 359.514 2.357 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CO)CC(C)(C)C)CC2)CC1 ZINC000553223319 674246144 /nfs/dbraw/zinc/24/61/44/674246144.db2.gz ZSFDLOGUCMCHIZ-KRWDZBQOSA-N 1 3 353.551 2.096 20 0 FEADHO CC1CC[NH+](CCNC(=O)N(C)CCCN(C)Cc2ccco2)CC1 ZINC000553788836 674285893 /nfs/dbraw/zinc/28/58/93/674285893.db2.gz UEKGHDAWFCYDFP-UHFFFAOYSA-N 1 3 350.507 2.475 20 0 FEADHO CCN1CCN(CCCC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187121938 328003407 /nfs/dbraw/zinc/00/34/07/328003407.db2.gz KNCQWOAJMYOIDF-UHFFFAOYSA-N 1 3 358.530 2.103 20 0 FEADHO CCN(CCNC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1)C1CC1 ZINC000189449051 328148693 /nfs/dbraw/zinc/14/86/93/328148693.db2.gz ZIRLQODABRIVEQ-UHFFFAOYSA-N 1 3 360.502 2.067 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000189701194 328162926 /nfs/dbraw/zinc/16/29/26/328162926.db2.gz XAAOSWIXPFSGSS-UHFFFAOYSA-N 1 3 362.518 2.253 20 0 FEADHO COc1cc2c(cc1OC)CN(CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000191424162 328265145 /nfs/dbraw/zinc/26/51/45/328265145.db2.gz LFWAPBISXHZMRQ-UHFFFAOYSA-N 1 3 361.530 2.478 20 0 FEADHO O=C(NCC[NH+]1CCCCC1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192279626 328310638 /nfs/dbraw/zinc/31/06/38/328310638.db2.gz SYAMGDYDEDTNLD-HXUWFJFHSA-N 1 3 374.529 2.063 20 0 FEADHO CCCC(=O)NC[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192730472 328335946 /nfs/dbraw/zinc/33/59/46/328335946.db2.gz ZRKMBYMIEHMVJD-IBGZPJMESA-N 1 3 352.567 2.031 20 0 FEADHO CCCC(=O)NC[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192730472 328335948 /nfs/dbraw/zinc/33/59/48/328335948.db2.gz ZRKMBYMIEHMVJD-IBGZPJMESA-N 1 3 352.567 2.031 20 0 FEADHO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000090395090 325357348 /nfs/dbraw/zinc/35/73/48/325357348.db2.gz XBVJHQBRIXWLDO-DOTOQJQBSA-N 1 3 373.501 2.031 20 0 FEADHO COCc1nc2n(n1)C[C@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000090395215 325357528 /nfs/dbraw/zinc/35/75/28/325357528.db2.gz DGTXVBYEEFTUKC-NVXWUHKLSA-N 1 3 373.501 2.031 20 0 FEADHO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000090395215 325357529 /nfs/dbraw/zinc/35/75/29/325357529.db2.gz DGTXVBYEEFTUKC-NVXWUHKLSA-N 1 3 373.501 2.031 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)CC[N@@H+]1C ZINC000091232825 325381841 /nfs/dbraw/zinc/38/18/41/325381841.db2.gz GRKCJWKDKPYYCF-APWZRJJASA-N 1 3 359.518 2.422 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC2CCN(c3ccncc3)CC2)CC[N@H+]1C ZINC000091232825 325381842 /nfs/dbraw/zinc/38/18/42/325381842.db2.gz GRKCJWKDKPYYCF-APWZRJJASA-N 1 3 359.518 2.422 20 0 FEADHO COCCN(C)CCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116435158 326014251 /nfs/dbraw/zinc/01/42/51/326014251.db2.gz DOQADLAJMVLFPD-QGZVFWFLSA-N 1 3 362.518 2.089 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(-n4cccn4)c3)CC2)CC1 ZINC000116740591 326031477 /nfs/dbraw/zinc/03/14/77/326031477.db2.gz HNVGONNEPPHPQI-UHFFFAOYSA-N 1 3 367.497 2.161 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(-n4ccnc4)c3)CC2)CC1 ZINC000117774856 326070055 /nfs/dbraw/zinc/07/00/55/326070055.db2.gz XAHAXJMOBRDRDQ-UHFFFAOYSA-N 1 3 367.497 2.161 20 0 FEADHO C[C@H]1SCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000118480371 326091851 /nfs/dbraw/zinc/09/18/51/326091851.db2.gz ZWBMEIXOCRURNT-LSDHHAIUSA-N 1 3 354.564 2.080 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000120263865 326244920 /nfs/dbraw/zinc/24/49/20/326244920.db2.gz PJVWGAPNLQFNFH-TZIWHRDSSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000120263865 326244923 /nfs/dbraw/zinc/24/49/23/326244923.db2.gz PJVWGAPNLQFNFH-TZIWHRDSSA-N 1 3 372.557 2.041 20 0 FEADHO C[C@H](C[NH2+][C@H](C)c1cccc(OCCN(C)C)c1)CN1CCN(C)CC1 ZINC000120877066 326295181 /nfs/dbraw/zinc/29/51/81/326295181.db2.gz RTBSCIQZBXFNOB-RTBURBONSA-N 1 3 362.562 2.161 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000153657088 326738865 /nfs/dbraw/zinc/73/88/65/326738865.db2.gz JYSVFTBOQAIJTP-HNNXBMFYSA-N 1 3 360.424 2.425 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000155291958 326783539 /nfs/dbraw/zinc/78/35/39/326783539.db2.gz YPZCXALCTXQZNS-UHFFFAOYSA-N 1 3 352.498 2.238 20 0 FEADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000162524929 327027950 /nfs/dbraw/zinc/02/79/50/327027950.db2.gz QNAOIKXEPZRNDR-MRXNPFEDSA-N 1 3 366.469 2.454 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)C[C@@H](C)O1 ZINC000165564720 327078405 /nfs/dbraw/zinc/07/84/05/327078405.db2.gz MLKXAKTZUXYALR-RTBURBONSA-N 1 3 373.541 2.313 20 0 FEADHO COC1(C(=O)NCC2CCN(Cc3ccc(C)cc3)CC2)CC[NH2+]CC1 ZINC000167856834 327086141 /nfs/dbraw/zinc/08/61/41/327086141.db2.gz BLPWSOOYEREYEA-UHFFFAOYSA-N 1 3 359.514 2.092 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)NCc2ccccc2OCCN(C)C)CC[N@@H+]1C ZINC000174439057 327327063 /nfs/dbraw/zinc/32/70/63/327327063.db2.gz FZIYXGMSSGUQRF-FUHWJXTLSA-N 1 3 362.518 2.251 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)NCc2ccccc2OCCN(C)C)CC[N@H+]1C ZINC000174439057 327327064 /nfs/dbraw/zinc/32/70/64/327327064.db2.gz FZIYXGMSSGUQRF-FUHWJXTLSA-N 1 3 362.518 2.251 20 0 FEADHO CCN1CCN(c2ccccc2NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000174635052 327340208 /nfs/dbraw/zinc/34/02/08/327340208.db2.gz MLRHLEVYSOCOTP-SFHVURJKSA-N 1 3 369.513 2.307 20 0 FEADHO C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)CN1CCN(C)CC1 ZINC000265098464 329090579 /nfs/dbraw/zinc/09/05/79/329090579.db2.gz GJUZGHIRPWRMCU-LJQANCHMSA-N 1 3 372.557 2.286 20 0 FEADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCN(CCOC)C2)c1 ZINC000265630767 329144925 /nfs/dbraw/zinc/14/49/25/329144925.db2.gz RRPBMMPMSGQLFI-LJQANCHMSA-N 1 3 362.518 2.048 20 0 FEADHO COc1ccc([C@H](CNC(=O)N2CCC[N@H+](C)CC2)N2CCCC2)cc1 ZINC000265718165 329153183 /nfs/dbraw/zinc/15/31/83/329153183.db2.gz JZYYHGUMZBRTGQ-IBGZPJMESA-N 1 3 360.502 2.179 20 0 FEADHO COc1ccc([C@H](CNC(=O)N2CCC[N@@H+](C)CC2)N2CCCC2)cc1 ZINC000265718165 329153184 /nfs/dbraw/zinc/15/31/84/329153184.db2.gz JZYYHGUMZBRTGQ-IBGZPJMESA-N 1 3 360.502 2.179 20 0 FEADHO O=C(NC[C@H](O)CN1CCCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000269570500 329531422 /nfs/dbraw/zinc/53/14/22/329531422.db2.gz IFDLCCRWAVMLHE-FQEVSTJZSA-N 1 3 359.514 2.249 20 0 FEADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000270637967 329617671 /nfs/dbraw/zinc/61/76/71/329617671.db2.gz FZBVNBWJLNZSBA-FQEVSTJZSA-N 1 3 370.541 2.095 20 0 FEADHO C[NH+](C)C1(CNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CCC1 ZINC000275822622 330093214 /nfs/dbraw/zinc/09/32/14/330093214.db2.gz FFXFCPBGDGRIGL-UHFFFAOYSA-N 1 3 359.514 2.105 20 0 FEADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414060516 330258572 /nfs/dbraw/zinc/25/85/72/330258572.db2.gz AVJQNYVJPOKFQW-KBPBESRZSA-N 1 3 356.308 2.321 20 0 FEADHO Cc1ccc([C@H](CNC(=O)CCCN2CCC([NH3+])CC2)N2CCCC2)o1 ZINC000433146613 330273214 /nfs/dbraw/zinc/27/32/14/330273214.db2.gz ADHUQRRWFFYRRV-SFHVURJKSA-N 1 3 362.518 2.044 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H](C[NH3+])C(C)C)CC2)c1 ZINC000433166044 330274236 /nfs/dbraw/zinc/27/42/36/330274236.db2.gz WQSFTHPPCQZYKY-HXUWFJFHSA-N 1 3 360.546 2.244 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(C(=O)OC)n(C)c2)[C@@H](C)C1 ZINC000554860427 674338894 /nfs/dbraw/zinc/33/88/94/674338894.db2.gz DRWZXVRFYYYAQI-RDJZCZTQSA-N 1 3 351.491 2.038 20 0 FEADHO CN(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000477431499 561144836 /nfs/dbraw/zinc/14/48/36/561144836.db2.gz USVWKCWBGFXCIF-PZJWPPBQSA-N 1 3 370.541 2.429 20 0 FEADHO CN(C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000477431499 561144837 /nfs/dbraw/zinc/14/48/37/561144837.db2.gz USVWKCWBGFXCIF-PZJWPPBQSA-N 1 3 370.541 2.429 20 0 FEADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000157108945 545701042 /nfs/dbraw/zinc/70/10/42/545701042.db2.gz RXXIZZAELSPQJY-CTNGQTDRSA-N 1 3 370.541 2.141 20 0 FEADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000157108945 545701045 /nfs/dbraw/zinc/70/10/45/545701045.db2.gz RXXIZZAELSPQJY-CTNGQTDRSA-N 1 3 370.541 2.141 20 0 FEADHO C[C@@H](O)C[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CCCCC1 ZINC000158305447 545846329 /nfs/dbraw/zinc/84/63/29/545846329.db2.gz SCPUUJCFPHVTAH-XLIONFOSSA-N 1 3 361.530 2.421 20 0 FEADHO C[C@@H](O)C[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CCCCC1 ZINC000158305447 545846332 /nfs/dbraw/zinc/84/63/32/545846332.db2.gz SCPUUJCFPHVTAH-XLIONFOSSA-N 1 3 361.530 2.421 20 0 FEADHO CCC[NH+]1CCC(N(C)CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000158799066 545895484 /nfs/dbraw/zinc/89/54/84/545895484.db2.gz BIHRAQLOHLSXRA-HXUWFJFHSA-N 1 3 360.546 2.212 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000479052874 561180408 /nfs/dbraw/zinc/18/04/08/561180408.db2.gz JZPYVHRWDKJPKO-UHFFFAOYSA-N 1 3 368.566 2.297 20 0 FEADHO COCC1(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CC[NH2+]CC1 ZINC000479189846 561183815 /nfs/dbraw/zinc/18/38/15/561183815.db2.gz FSOHEVCFRLYWLP-DOTOQJQBSA-N 1 3 365.543 2.263 20 0 FEADHO CC[C@H](C)[N@H+](C)CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000171043349 546187483 /nfs/dbraw/zinc/18/74/83/546187483.db2.gz FREAETHOCKVJFM-INIZCTEOSA-N 1 3 356.580 2.378 20 0 FEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000171043349 546187489 /nfs/dbraw/zinc/18/74/89/546187489.db2.gz FREAETHOCKVJFM-INIZCTEOSA-N 1 3 356.580 2.378 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000177193296 546567167 /nfs/dbraw/zinc/56/71/67/546567167.db2.gz RBFVPSVCCAJNIO-MOPGFXCFSA-N 1 3 370.541 2.330 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000177193296 546567174 /nfs/dbraw/zinc/56/71/74/546567174.db2.gz RBFVPSVCCAJNIO-MOPGFXCFSA-N 1 3 370.541 2.330 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C[C@H](C)O1 ZINC000177492181 546630235 /nfs/dbraw/zinc/63/02/35/546630235.db2.gz YJSYJTOWRLCFIH-CALCHBBNSA-N 1 3 359.514 2.497 20 0 FEADHO O=C(C[C@H]1CCC[NH2+]1)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000178848548 546861192 /nfs/dbraw/zinc/86/11/92/546861192.db2.gz UBVDVWHKKFRYNX-LJQANCHMSA-N 1 3 359.514 2.316 20 0 FEADHO CC(C)[NH2+]C1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000179752503 547007282 /nfs/dbraw/zinc/00/72/82/547007282.db2.gz AQKKYONSCRDASF-UHFFFAOYSA-N 1 3 359.518 2.470 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000180355248 547090431 /nfs/dbraw/zinc/09/04/31/547090431.db2.gz BYGQGQWXNADYHF-UHFFFAOYSA-N 1 3 374.529 2.456 20 0 FEADHO C[C@H]1C[C@@H](NCCNC(=O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000180834816 547189197 /nfs/dbraw/zinc/18/91/97/547189197.db2.gz MOLGILWCJACPPZ-WFASDCNBSA-N 1 3 354.292 2.251 20 0 FEADHO C[C@H]1C[C@@H](NCCNC(=O)c2cccc(Br)c2)CC[N@H+]1C ZINC000180834816 547189201 /nfs/dbraw/zinc/18/92/01/547189201.db2.gz MOLGILWCJACPPZ-WFASDCNBSA-N 1 3 354.292 2.251 20 0 FEADHO Cc1cccc(C)c1OC[C@@H](O)CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180944191 547215608 /nfs/dbraw/zinc/21/56/08/547215608.db2.gz WMWQIBJWMZLTRS-FQEVSTJZSA-N 1 3 363.546 2.001 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000181669796 547356615 /nfs/dbraw/zinc/35/66/15/547356615.db2.gz QHUROSIKMXMCSZ-OTWHNJEPSA-N 1 3 359.514 2.271 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000183242475 547625943 /nfs/dbraw/zinc/62/59/43/547625943.db2.gz STFIPIGWMSGCJJ-QGZVFWFLSA-N 1 3 362.518 2.120 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000183242475 547625947 /nfs/dbraw/zinc/62/59/47/547625947.db2.gz STFIPIGWMSGCJJ-QGZVFWFLSA-N 1 3 362.518 2.120 20 0 FEADHO CN1CCN(CCC(C)(C)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000185403809 547979629 /nfs/dbraw/zinc/97/96/29/547979629.db2.gz IHVADBWOAXTDIV-KRWDZBQOSA-N 1 3 369.598 2.068 20 0 FEADHO COCCO[C@@H]1COCC[C@@H]1[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000485686153 561325749 /nfs/dbraw/zinc/32/57/49/561325749.db2.gz IRBCXCHYJFWNQN-RSPOEFSDSA-N 1 3 354.535 2.440 20 0 FEADHO CN(C)Cc1ccccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000486757566 561355850 /nfs/dbraw/zinc/35/58/50/561355850.db2.gz CMJSHSGKSFSLBC-UXHICEINSA-N 1 3 359.514 2.246 20 0 FEADHO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccccc3CN(C)C)CC2)CC1 ZINC000486657452 561353546 /nfs/dbraw/zinc/35/35/46/561353546.db2.gz MWVVLQVQTUUGBT-UHFFFAOYSA-N 1 3 372.557 2.379 20 0 FEADHO CC(C)[C@@H]1CN(c2cc(N3CC[N@H+](C)[C@H](C(C)C)C3)ncn2)CCN1C ZINC000487134653 561364559 /nfs/dbraw/zinc/36/45/59/561364559.db2.gz HTYAZWSVOQHNJF-ROUUACIJSA-N 1 3 360.550 2.029 20 0 FEADHO CC(C)[C@@H]1CN(c2cc(N3CC[N@@H+](C)[C@H](C(C)C)C3)ncn2)CCN1C ZINC000487134653 561364560 /nfs/dbraw/zinc/36/45/60/561364560.db2.gz HTYAZWSVOQHNJF-ROUUACIJSA-N 1 3 360.550 2.029 20 0 FEADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2cccc(Br)c2)CC[N@@H+]1C ZINC000226875663 548750792 /nfs/dbraw/zinc/75/07/92/548750792.db2.gz FODUILFFYODQMK-VHDGCEQUSA-N 1 3 357.292 2.261 20 0 FEADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2cccc(Br)c2)CC[N@H+]1C ZINC000226875663 548750795 /nfs/dbraw/zinc/75/07/95/548750795.db2.gz FODUILFFYODQMK-VHDGCEQUSA-N 1 3 357.292 2.261 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)C2(C[NH3+])CCCC2)cc1)[C@@H]1CCCN(C)C1 ZINC000237180582 548806193 /nfs/dbraw/zinc/80/61/93/548806193.db2.gz UYDUBVLCHQOTKN-GOSISDBHSA-N 1 3 372.513 2.310 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000237606333 548838650 /nfs/dbraw/zinc/83/86/50/548838650.db2.gz YURZDRGOWCAZOY-UKBAYJJMSA-N 1 3 351.535 2.242 20 0 FEADHO O=C(CNC[C@H]1CCCO1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000237934112 548866233 /nfs/dbraw/zinc/86/62/33/548866233.db2.gz HAVPFYSBFSVMIB-HXUWFJFHSA-N 1 3 359.514 2.447 20 0 FEADHO O=C(CCCN1CCN(c2ccccc2)CC1)NCC[C@H]1CCC[NH2+]C1 ZINC000237986276 548869481 /nfs/dbraw/zinc/86/94/81/548869481.db2.gz YNNNSDNUXSSRNE-LJQANCHMSA-N 1 3 358.530 2.095 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@]3(CCN(C)C3)C2)C1 ZINC000488076335 561382901 /nfs/dbraw/zinc/38/29/01/561382901.db2.gz PVNWRCJYFJKFNI-FUHIMQAGSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@]3(CCN(C)C3)C2)C1 ZINC000488076335 561382902 /nfs/dbraw/zinc/38/29/02/561382902.db2.gz PVNWRCJYFJKFNI-FUHIMQAGSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000245942058 549025688 /nfs/dbraw/zinc/02/56/88/549025688.db2.gz VCQVVLZKIGVPTI-FXAWDEMLSA-N 1 3 359.514 2.267 20 0 FEADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000245942058 549025694 /nfs/dbraw/zinc/02/56/94/549025694.db2.gz VCQVVLZKIGVPTI-FXAWDEMLSA-N 1 3 359.514 2.267 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000246142333 549062095 /nfs/dbraw/zinc/06/20/95/549062095.db2.gz JQDVAHUIDMKDGC-GUDVDZBRSA-N 1 3 368.566 2.107 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000246156982 549065475 /nfs/dbraw/zinc/06/54/75/549065475.db2.gz DNCMOBBALGCSAS-YLJYHZDGSA-N 1 3 358.530 2.416 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000246156982 549065478 /nfs/dbraw/zinc/06/54/78/549065478.db2.gz DNCMOBBALGCSAS-YLJYHZDGSA-N 1 3 358.530 2.416 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000246160882 549066469 /nfs/dbraw/zinc/06/64/69/549066469.db2.gz DYOVSJBUJIRGDU-IAGOWNOFSA-N 1 3 368.591 2.330 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000246160882 549066472 /nfs/dbraw/zinc/06/64/72/549066472.db2.gz DYOVSJBUJIRGDU-IAGOWNOFSA-N 1 3 368.591 2.330 20 0 FEADHO CCC(CC)(CNC(=O)[C@@H]1CN2CCN1CCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000488388784 561389081 /nfs/dbraw/zinc/38/90/81/561389081.db2.gz IIXPPRNWDUGZJD-ICSRJNTNSA-N 1 3 372.557 2.402 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@]4(C)[C@@H](C3)C4(F)F)CC2)CC1 ZINC000488516905 561391134 /nfs/dbraw/zinc/39/11/34/561391134.db2.gz QQYMFZBTCOUXNH-AEFFLSMTSA-N 1 3 370.488 2.232 20 0 FEADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246458468 549138213 /nfs/dbraw/zinc/13/82/13/549138213.db2.gz FXYKMCGELBGPTC-FPOVZHCZSA-N 1 3 372.557 2.183 20 0 FEADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246458468 549138215 /nfs/dbraw/zinc/13/82/15/549138215.db2.gz FXYKMCGELBGPTC-FPOVZHCZSA-N 1 3 372.557 2.183 20 0 FEADHO CCNC(=O)COc1ccc(C[NH2+][C@H]2CCN(CC)C[C@H]2C)cc1OC ZINC000246995172 549260272 /nfs/dbraw/zinc/26/02/72/549260272.db2.gz NOXJQJCNZBRJAQ-WBVHZDCISA-N 1 3 363.502 2.030 20 0 FEADHO CCN1CC[C@@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)[C@@H](C)C1 ZINC000247010625 549264406 /nfs/dbraw/zinc/26/44/06/549264406.db2.gz MEIURJXFRAPZGL-AZUAARDMSA-N 1 3 361.530 2.218 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)C[C@@H]2CCCN(C)C2)[C@@H](C)C1 ZINC000247083063 549280552 /nfs/dbraw/zinc/28/05/52/549280552.db2.gz DEHURSFVMPGEFM-OTWHNJEPSA-N 1 3 368.566 2.107 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)C[C@@H]2CCCN(C)C2)[C@@H](C)C1 ZINC000247083063 549280553 /nfs/dbraw/zinc/28/05/53/549280553.db2.gz DEHURSFVMPGEFM-OTWHNJEPSA-N 1 3 368.566 2.107 20 0 FEADHO CN1CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)[C@H]1c1ccccc1 ZINC000248068388 549404816 /nfs/dbraw/zinc/40/48/16/549404816.db2.gz PZJXBTLCVHWDTK-SLFFLAALSA-N 1 3 374.529 2.184 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC000248397697 549428171 /nfs/dbraw/zinc/42/81/71/549428171.db2.gz LXSFPNORUHUBFT-MNZLEMJZSA-N 1 3 374.529 2.357 20 0 FEADHO CCc1cccc(OCCN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261868151 549763990 /nfs/dbraw/zinc/76/39/90/549763990.db2.gz NVMLVZMWOYNPOS-QUCCMNQESA-N 1 3 359.514 2.208 20 0 FEADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H](N)C3CCOCC3)cc2)C1 ZINC000262077073 549787288 /nfs/dbraw/zinc/78/72/88/549787288.db2.gz SWGAXOYLTAPWMN-KXBFYZLASA-N 1 3 361.486 2.100 20 0 FEADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H](N)C3CCOCC3)cc2)C1 ZINC000262077073 549787291 /nfs/dbraw/zinc/78/72/91/549787291.db2.gz SWGAXOYLTAPWMN-KXBFYZLASA-N 1 3 361.486 2.100 20 0 FEADHO CN1CCC[C@@H](CNC(=O)C2(C[NH3+])CCOCC2)[C@H]1c1cccs1 ZINC000262287798 549807081 /nfs/dbraw/zinc/80/70/81/549807081.db2.gz OLUSTPXHYYPXDF-HOCLYGCPSA-N 1 3 351.516 2.003 20 0 FEADHO COCC1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC000262345391 549812993 /nfs/dbraw/zinc/81/29/93/549812993.db2.gz HPPHQGRGOXZFOB-MJGOQNOKSA-N 1 3 359.514 2.172 20 0 FEADHO COc1cc(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])ccc1OCCN(C)C ZINC000263061535 549874808 /nfs/dbraw/zinc/87/48/08/549874808.db2.gz VKZGHFVKRKQTEL-UZLBHIALSA-N 1 3 363.502 2.159 20 0 FEADHO CN(C)CCn1c2cc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)ccc2oc1=O ZINC000490997566 561441492 /nfs/dbraw/zinc/44/14/92/561441492.db2.gz HIDCHTGTPUHGEY-MRXNPFEDSA-N 1 3 374.485 2.359 20 0 FEADHO CN(C)CCn1c2cc(NC(=O)CC[C@H]3CCCC[N@H+]3C)ccc2oc1=O ZINC000490997566 561441493 /nfs/dbraw/zinc/44/14/93/561441493.db2.gz HIDCHTGTPUHGEY-MRXNPFEDSA-N 1 3 374.485 2.359 20 0 FEADHO CSC1(CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC[NH+](C)CC1 ZINC000491030328 561441955 /nfs/dbraw/zinc/44/19/55/561441955.db2.gz BPJRCRCWNZCQFX-BRWVUGGUSA-N 1 3 368.591 2.186 20 0 FEADHO CC(C)[NH+]1CCC(O)(CNCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000268452837 550068589 /nfs/dbraw/zinc/06/85/89/550068589.db2.gz WMZOKPRHXCMDET-UHFFFAOYSA-N 1 3 354.878 2.436 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)CC(=O)N(C)C)cc1OC ZINC000268782314 550115905 /nfs/dbraw/zinc/11/59/05/550115905.db2.gz DMIBYEMKEXOPJY-INIZCTEOSA-N 1 3 365.518 2.372 20 0 FEADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000269094720 550154203 /nfs/dbraw/zinc/15/42/03/550154203.db2.gz RKIYMLYXFQNLQK-HOCLYGCPSA-N 1 3 372.531 2.106 20 0 FEADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000492728536 561452551 /nfs/dbraw/zinc/45/25/51/561452551.db2.gz OUFQHNHFBYPZRS-YJBOKZPZSA-N 1 3 350.507 2.327 20 0 FEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000492728536 561452552 /nfs/dbraw/zinc/45/25/52/561452552.db2.gz OUFQHNHFBYPZRS-YJBOKZPZSA-N 1 3 350.507 2.327 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)CC2)c1 ZINC000493537032 561456659 /nfs/dbraw/zinc/45/66/59/561456659.db2.gz PBXLZOZACHKZEV-TZIWHRDSSA-N 1 3 370.541 2.060 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)CC2)c1 ZINC000493537032 561456660 /nfs/dbraw/zinc/45/66/60/561456660.db2.gz PBXLZOZACHKZEV-TZIWHRDSSA-N 1 3 370.541 2.060 20 0 FEADHO C[N@H+](CCCO)C1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000270365289 550265766 /nfs/dbraw/zinc/26/57/66/550265766.db2.gz KCGVKUSRQNHDPH-UHFFFAOYSA-N 1 3 373.541 2.204 20 0 FEADHO C[N@@H+](CCCO)C1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000270365289 550265769 /nfs/dbraw/zinc/26/57/69/550265769.db2.gz KCGVKUSRQNHDPH-UHFFFAOYSA-N 1 3 373.541 2.204 20 0 FEADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc2nccn2c1C ZINC000270732534 550301402 /nfs/dbraw/zinc/30/14/02/550301402.db2.gz UVZWAHJIZXLYRG-HNNXBMFYSA-N 1 3 363.531 2.192 20 0 FEADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000272720811 550466646 /nfs/dbraw/zinc/46/66/46/550466646.db2.gz FGQPZFGJTNVSAC-LJQANCHMSA-N 1 3 372.538 2.468 20 0 FEADHO CCN1CCN(Cc2ccc(CNC(=O)CC3CC[NH+](C)CC3)cc2)CC1 ZINC000273258176 550491829 /nfs/dbraw/zinc/49/18/29/550491829.db2.gz SPSZRIGUHLSBHS-UHFFFAOYSA-N 1 3 372.557 2.172 20 0 FEADHO C[NH+](C)C1CCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC1 ZINC000495116260 561482501 /nfs/dbraw/zinc/48/25/01/561482501.db2.gz NPLWFFHPWXCOTA-UHFFFAOYSA-N 1 3 359.514 2.057 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000495131775 561482853 /nfs/dbraw/zinc/48/28/53/561482853.db2.gz ZGOHZNNHZUWQRW-WMZOPIPTSA-N 1 3 366.550 2.144 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@](C)(O)CC1 ZINC000279872531 550938178 /nfs/dbraw/zinc/93/81/78/550938178.db2.gz CBDZYWJZGQNSMB-GCJKJVERSA-N 1 3 373.541 2.393 20 0 FEADHO C[C@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000280990208 551052359 /nfs/dbraw/zinc/05/23/59/551052359.db2.gz MSUYCULOFLMVAX-HNNXBMFYSA-N 1 3 354.516 2.245 20 0 FEADHO COc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1NC(C)=O ZINC000282394963 551222417 /nfs/dbraw/zinc/22/24/17/551222417.db2.gz RHPRBSRJVFWGNH-HNNXBMFYSA-N 1 3 362.518 2.330 20 0 FEADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000498142138 561516942 /nfs/dbraw/zinc/51/69/42/561516942.db2.gz QNOYDWFQBDATNJ-PXNSSMCTSA-N 1 3 370.541 2.354 20 0 FEADHO C[C@H](N[C@H](CO)C[C@H](O)C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000284339833 551527359 /nfs/dbraw/zinc/52/73/59/551527359.db2.gz MSYKEJKJDZRLFB-IEZWGBDMSA-N 1 3 352.519 2.436 20 0 FEADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)c3ccc(=O)[nH]n3)CC2)cc1 ZINC000285504002 551766545 /nfs/dbraw/zinc/76/65/45/551766545.db2.gz AHUFBNBLDHDYHR-OAHLLOKOSA-N 1 3 356.470 2.341 20 0 FEADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000285541726 551772198 /nfs/dbraw/zinc/77/21/98/551772198.db2.gz CEXAEBWZUXTMNI-FPOVZHCZSA-N 1 3 355.482 2.420 20 0 FEADHO CC[NH+](CC)CCSCC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000285919741 551827208 /nfs/dbraw/zinc/82/72/08/551827208.db2.gz DWWAVZNZAQQDPV-GOSISDBHSA-N 1 3 367.559 2.489 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1cccnc1 ZINC000289449857 552323782 /nfs/dbraw/zinc/32/37/82/552323782.db2.gz NALBNFIFSMMONK-IBGZPJMESA-N 1 3 356.518 2.320 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1-c1cccnc1 ZINC000289449857 552323784 /nfs/dbraw/zinc/32/37/84/552323784.db2.gz NALBNFIFSMMONK-IBGZPJMESA-N 1 3 356.518 2.320 20 0 FEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000290274271 552452480 /nfs/dbraw/zinc/45/24/80/552452480.db2.gz YTWYFPQXHGKMPN-PMACEKPBSA-N 1 3 359.514 2.464 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000501428744 561597441 /nfs/dbraw/zinc/59/74/41/561597441.db2.gz ZDHAGWLDAHZYAD-TZIWHRDSSA-N 1 3 360.546 2.088 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H]2CCC[C@@H]2CCO)CC1 ZINC000502854379 561627755 /nfs/dbraw/zinc/62/77/55/561627755.db2.gz FKLOEKCFKMARBZ-NQIIRXRSSA-N 1 3 373.541 2.216 20 0 FEADHO O=C1COc2ccccc2N1CCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297605314 553314840 /nfs/dbraw/zinc/31/48/40/553314840.db2.gz KHMHDHVHROLJOM-UHFFFAOYSA-N 1 3 366.465 2.456 20 0 FEADHO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298589781 553445710 /nfs/dbraw/zinc/44/57/10/553445710.db2.gz YJLPYVNRVBUENI-OAHLLOKOSA-N 1 3 374.510 2.309 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)CN(C)C(C)C)cc1OC ZINC000299299795 553544652 /nfs/dbraw/zinc/54/46/52/553544652.db2.gz AWADOHGZIRVRQV-UHFFFAOYSA-N 1 3 365.518 2.372 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000299422687 553561143 /nfs/dbraw/zinc/56/11/43/553561143.db2.gz UPVOSWSPMSFCAW-ZHALLVOQSA-N 1 3 359.514 2.028 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000505732433 561678718 /nfs/dbraw/zinc/67/87/18/561678718.db2.gz WVHUTFVRZSJNSI-FQEVSTJZSA-N 1 3 369.513 2.360 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000505732433 561678719 /nfs/dbraw/zinc/67/87/19/561678719.db2.gz WVHUTFVRZSJNSI-FQEVSTJZSA-N 1 3 369.513 2.360 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1COc2ccccc2C1 ZINC000505788108 561680859 /nfs/dbraw/zinc/68/08/59/561680859.db2.gz FXGWXHNZAFETLM-OALUTQOASA-N 1 3 359.514 2.112 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1COc2ccccc2C1 ZINC000505788108 561680860 /nfs/dbraw/zinc/68/08/60/561680860.db2.gz FXGWXHNZAFETLM-OALUTQOASA-N 1 3 359.514 2.112 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1COc2ccccc2C1 ZINC000505788107 561680911 /nfs/dbraw/zinc/68/09/11/561680911.db2.gz FXGWXHNZAFETLM-MOPGFXCFSA-N 1 3 359.514 2.112 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1COc2ccccc2C1 ZINC000505788107 561680912 /nfs/dbraw/zinc/68/09/12/561680912.db2.gz FXGWXHNZAFETLM-MOPGFXCFSA-N 1 3 359.514 2.112 20 0 FEADHO O=C(NCC[NH+]1CCCC1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506005492 561687166 /nfs/dbraw/zinc/68/71/66/561687166.db2.gz XNAORNCAEPBPSH-KRWDZBQOSA-N 1 3 351.441 2.356 20 0 FEADHO CCC[C@@H]1C[C@H](C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)CCO1 ZINC000506176850 561692511 /nfs/dbraw/zinc/69/25/11/561692511.db2.gz YTGZLDGILYLUTP-CEXWTWQISA-N 1 3 353.551 2.456 20 0 FEADHO CCC[C@@H]1C[C@H](C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)CCO1 ZINC000506176850 561692513 /nfs/dbraw/zinc/69/25/13/561692513.db2.gz YTGZLDGILYLUTP-CEXWTWQISA-N 1 3 353.551 2.456 20 0 FEADHO CCN1CCC(NC(=O)CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506478577 561699791 /nfs/dbraw/zinc/69/97/91/561699791.db2.gz GVGMDZQYGUQQLV-MOPGFXCFSA-N 1 3 364.578 2.173 20 0 FEADHO CCN1CCC(NC(=O)CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506478577 561699793 /nfs/dbraw/zinc/69/97/93/561699793.db2.gz GVGMDZQYGUQQLV-MOPGFXCFSA-N 1 3 364.578 2.173 20 0 FEADHO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506851453 561710295 /nfs/dbraw/zinc/71/02/95/561710295.db2.gz OFPMWWLVEDZJOD-AEFFLSMTSA-N 1 3 363.452 2.497 20 0 FEADHO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000506851453 561710297 /nfs/dbraw/zinc/71/02/97/561710297.db2.gz OFPMWWLVEDZJOD-AEFFLSMTSA-N 1 3 363.452 2.497 20 0 FEADHO C[C@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)N1CCC[C@H](C)C1 ZINC000330985872 554197197 /nfs/dbraw/zinc/19/71/97/554197197.db2.gz GAXRLPUDVAOPTH-JKSUJKDBSA-N 1 3 353.532 2.147 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN[C@]2(CO)C[C@H](C)CC(C)(C)C2)CC1 ZINC000331349618 554249907 /nfs/dbraw/zinc/24/99/07/554249907.db2.gz NNIGXCWNQNGXME-OXQOHEQNSA-N 1 3 353.551 2.142 20 0 FEADHO CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000508983419 561780265 /nfs/dbraw/zinc/78/02/65/561780265.db2.gz XUVPOVLMRXOORA-IBGZPJMESA-N 1 3 374.529 2.458 20 0 FEADHO C[C@@H]1NC(=O)N(CCN(C)C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1=O ZINC000331849808 554330860 /nfs/dbraw/zinc/33/08/60/554330860.db2.gz CETDJVSTROEGQK-ZACQAIPSSA-N 1 3 372.513 2.015 20 0 FEADHO COCC[N@H+](C)CC[C@H](NC(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000509784380 561813989 /nfs/dbraw/zinc/81/39/89/561813989.db2.gz WHNQXBQDXCAKQV-OALUTQOASA-N 1 3 362.518 2.089 20 0 FEADHO COCC[N@@H+](C)CC[C@H](NC(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000509784380 561813990 /nfs/dbraw/zinc/81/39/90/561813990.db2.gz WHNQXBQDXCAKQV-OALUTQOASA-N 1 3 362.518 2.089 20 0 FEADHO Cc1oc2ccccc2c1CN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000333183157 554584946 /nfs/dbraw/zinc/58/49/46/554584946.db2.gz SIESSIAKYGCBBO-RBUKOAKNSA-N 1 3 368.481 2.461 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@]4(CC[NH2+]C4)C3)c2)CC1 ZINC000333276825 554597653 /nfs/dbraw/zinc/59/76/53/554597653.db2.gz GYTNFANWFMVRIC-FQEVSTJZSA-N 1 3 357.502 2.046 20 0 FEADHO C[C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C[C@H]1C[NH3+] ZINC000333444877 554614073 /nfs/dbraw/zinc/61/40/73/554614073.db2.gz WPQZXCCWVLPCMV-IAGOWNOFSA-N 1 3 368.591 2.364 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)cc2)CC1 ZINC000511317770 561865059 /nfs/dbraw/zinc/86/50/59/561865059.db2.gz ZTHVGOPSFDFGMP-QGZVFWFLSA-N 1 3 356.514 2.209 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)cc2)CC1 ZINC000511317770 561865060 /nfs/dbraw/zinc/86/50/60/561865060.db2.gz ZTHVGOPSFDFGMP-QGZVFWFLSA-N 1 3 356.514 2.209 20 0 FEADHO CCOCCCNC(=O)[C@H](C)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000362104631 554950116 /nfs/dbraw/zinc/95/01/16/554950116.db2.gz DIKVNPACGPQREH-DLBZAZTESA-N 1 3 351.535 2.114 20 0 FEADHO CCOCCCNC(=O)[C@H](C)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362104631 554950117 /nfs/dbraw/zinc/95/01/17/554950117.db2.gz DIKVNPACGPQREH-DLBZAZTESA-N 1 3 351.535 2.114 20 0 FEADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000362199415 554955501 /nfs/dbraw/zinc/95/55/01/554955501.db2.gz HZVZBOAVBRSDFZ-CTNGQTDRSA-N 1 3 371.525 2.268 20 0 FEADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000362199415 554955503 /nfs/dbraw/zinc/95/55/03/554955503.db2.gz HZVZBOAVBRSDFZ-CTNGQTDRSA-N 1 3 371.525 2.268 20 0 FEADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362252554 554958269 /nfs/dbraw/zinc/95/82/69/554958269.db2.gz BANCOGCFZVNRSD-HOJAQTOUSA-N 1 3 364.578 2.124 20 0 FEADHO CC(C)CCC[C@H](C)NC(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362263549 554959407 /nfs/dbraw/zinc/95/94/07/554959407.db2.gz WVLPARWEIFSBKJ-ICSRJNTNSA-N 1 3 366.594 2.418 20 0 FEADHO C[C@@H]1CN(C(=O)C2CC[NH+](CCCN3CCCCC3)CC2)C[C@@H](C)O1 ZINC000363006527 555008435 /nfs/dbraw/zinc/00/84/35/555008435.db2.gz LTNDDKVYSCYRSB-QZTJIDSGSA-N 1 3 351.535 2.210 20 0 FEADHO CC(C)(C)[NH+]1CCC(NC(=O)N2CCCN(C3CCOCC3)CC2)CC1 ZINC000363055512 555019982 /nfs/dbraw/zinc/01/99/82/555019982.db2.gz GIXSWDKLJACIQP-UHFFFAOYSA-N 1 3 366.550 2.146 20 0 FEADHO CCN1CCCC[C@H]1CNC(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363186360 555048487 /nfs/dbraw/zinc/04/84/87/555048487.db2.gz PBRJQCYVEPYOGA-IBGZPJMESA-N 1 3 366.550 2.146 20 0 FEADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000363570382 555139299 /nfs/dbraw/zinc/13/92/99/555139299.db2.gz YGBLWGGLWYAOFG-VQTJNVASSA-N 1 3 374.529 2.191 20 0 FEADHO Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000363642315 555153649 /nfs/dbraw/zinc/15/36/49/555153649.db2.gz YSNBBURZTRPDKX-HXUWFJFHSA-N 1 3 362.514 2.310 20 0 FEADHO Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000363642315 555153650 /nfs/dbraw/zinc/15/36/50/555153650.db2.gz YSNBBURZTRPDKX-HXUWFJFHSA-N 1 3 362.514 2.310 20 0 FEADHO COc1ccc(NC(=O)CCN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000363651831 555155359 /nfs/dbraw/zinc/15/53/59/555155359.db2.gz NBWTUUPZXWRLQK-IBGZPJMESA-N 1 3 374.529 2.124 20 0 FEADHO COc1ccc(NC(=O)CCN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000363651831 555155360 /nfs/dbraw/zinc/15/53/60/555155360.db2.gz NBWTUUPZXWRLQK-IBGZPJMESA-N 1 3 374.529 2.124 20 0 FEADHO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000363969020 555224000 /nfs/dbraw/zinc/22/40/00/555224000.db2.gz XMRCBROTTJSVAF-KBXCAEBGSA-N 1 3 362.543 2.494 20 0 FEADHO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000363969020 555223999 /nfs/dbraw/zinc/22/39/99/555223999.db2.gz XMRCBROTTJSVAF-KBXCAEBGSA-N 1 3 362.543 2.494 20 0 FEADHO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000364036190 555237476 /nfs/dbraw/zinc/23/74/76/555237476.db2.gz JASCSQIPIYFKCH-ZBFHGGJFSA-N 1 3 362.474 2.283 20 0 FEADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C[C@@H]1CSCCN1 ZINC000364945759 555446348 /nfs/dbraw/zinc/44/63/48/555446348.db2.gz DGUWMECFCXNRHO-OTWHNJEPSA-N 1 3 361.555 2.280 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCSC1 ZINC000513168307 561927809 /nfs/dbraw/zinc/92/78/09/561927809.db2.gz YURATBYBMRXSLK-IRXDYDNUSA-N 1 3 356.580 2.187 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCSC1 ZINC000513168307 561927810 /nfs/dbraw/zinc/92/78/10/561927810.db2.gz YURATBYBMRXSLK-IRXDYDNUSA-N 1 3 356.580 2.187 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCO1 ZINC000365467112 555583462 /nfs/dbraw/zinc/58/34/62/555583462.db2.gz UCZBBQOXRNNGEX-KRWDZBQOSA-N 1 3 366.550 2.194 20 0 FEADHO NC1(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CCOCC1 ZINC000513203137 561929093 /nfs/dbraw/zinc/92/90/93/561929093.db2.gz YIRNMXSTENIDAA-UHFFFAOYSA-N 1 3 373.541 2.345 20 0 FEADHO CC[NH+](CC)CCSCC(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000366175543 555772344 /nfs/dbraw/zinc/77/23/44/555772344.db2.gz YFDMXTKREKQNGK-INIZCTEOSA-N 1 3 365.543 2.417 20 0 FEADHO C[C@@H](CC[NH+](C)C)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000366323679 555812368 /nfs/dbraw/zinc/81/23/68/555812368.db2.gz MBSSDIMNJSXJPF-GRTSSRMGSA-N 1 3 364.456 2.431 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3nccs3)CC2)CC1 ZINC000514613551 561969827 /nfs/dbraw/zinc/96/98/27/561969827.db2.gz JGPLDWKRRHZLKL-UHFFFAOYSA-N 1 3 350.532 2.298 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)C[C@@H](C)O1 ZINC000367282647 556007794 /nfs/dbraw/zinc/00/77/94/556007794.db2.gz MPHNDGFRQJYARX-YWTNHNAXSA-N 1 3 351.535 2.112 20 0 FEADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1-n1ccnn1 ZINC000367615181 556097720 /nfs/dbraw/zinc/09/77/20/556097720.db2.gz KIANYOHMJAWUSS-IRXDYDNUSA-N 1 3 354.502 2.086 20 0 FEADHO COCCOc1ccccc1CN1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000368051621 556204960 /nfs/dbraw/zinc/20/49/60/556204960.db2.gz OLXROEDENOADJV-LJQANCHMSA-N 1 3 361.530 2.171 20 0 FEADHO O=C(NCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1F ZINC000515053329 561994008 /nfs/dbraw/zinc/99/40/08/561994008.db2.gz OICWRUFKQMCDFI-RXVVDRJESA-N 1 3 369.440 2.401 20 0 FEADHO COC(=O)c1coc(CNCCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000368307206 556274053 /nfs/dbraw/zinc/27/40/53/556274053.db2.gz ZHRJIEVGYGGCJS-UHFFFAOYSA-N 1 3 363.502 2.352 20 0 FEADHO CN1CC[C@@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)[C@@H]1c1ccccc1 ZINC000515811124 562022478 /nfs/dbraw/zinc/02/24/78/562022478.db2.gz SXAQNEXAQAZPHA-BQJUDKOJSA-N 1 3 364.493 2.487 20 0 FEADHO COCCCN1CCCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000369658866 556660899 /nfs/dbraw/zinc/66/08/99/556660899.db2.gz RMQIDGNCBRZQTD-LJQANCHMSA-N 1 3 368.566 2.252 20 0 FEADHO COCCCN1CCCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000369658866 556660900 /nfs/dbraw/zinc/66/09/00/556660900.db2.gz RMQIDGNCBRZQTD-LJQANCHMSA-N 1 3 368.566 2.252 20 0 FEADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000369854301 556712892 /nfs/dbraw/zinc/71/28/92/556712892.db2.gz VUGUSXFVLAYRFX-INIZCTEOSA-N 1 3 371.533 2.193 20 0 FEADHO COc1ccccc1COC[C@H](O)CNC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000516562903 562048152 /nfs/dbraw/zinc/04/81/52/562048152.db2.gz FIHBIQJBYNFUNF-IEBWSBKVSA-N 1 3 350.503 2.283 20 0 FEADHO COc1ccccc1COC[C@H](O)CNC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000516562903 562048153 /nfs/dbraw/zinc/04/81/53/562048153.db2.gz FIHBIQJBYNFUNF-IEBWSBKVSA-N 1 3 350.503 2.283 20 0 FEADHO COc1ccccc1COC[C@H](O)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000516562903 562048154 /nfs/dbraw/zinc/04/81/54/562048154.db2.gz FIHBIQJBYNFUNF-IEBWSBKVSA-N 1 3 350.503 2.283 20 0 FEADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000370133069 556789716 /nfs/dbraw/zinc/78/97/16/556789716.db2.gz YTJAIUWSACGGJG-PMACEKPBSA-N 1 3 373.545 2.261 20 0 FEADHO C[C@@H](C(=O)Nc1cccc(F)c1)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258998 557122433 /nfs/dbraw/zinc/12/24/33/557122433.db2.gz FBUHEJCPHCRDPW-HNAYVOBHSA-N 1 3 362.493 2.253 20 0 FEADHO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000371320528 557144855 /nfs/dbraw/zinc/14/48/55/557144855.db2.gz FORFTNMYSOABRR-GJZGRUSLSA-N 1 3 364.534 2.196 20 0 FEADHO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371320528 557144857 /nfs/dbraw/zinc/14/48/57/557144857.db2.gz FORFTNMYSOABRR-GJZGRUSLSA-N 1 3 364.534 2.196 20 0 FEADHO Cc1ccccc1NC(=O)CCN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000371692523 557265024 /nfs/dbraw/zinc/26/50/24/557265024.db2.gz KHJYQUUWXTUXEJ-SFHVURJKSA-N 1 3 358.530 2.424 20 0 FEADHO Cc1ccccc1NC(=O)CCN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000371692523 557265030 /nfs/dbraw/zinc/26/50/30/557265030.db2.gz KHJYQUUWXTUXEJ-SFHVURJKSA-N 1 3 358.530 2.424 20 0 FEADHO Cc1ccccc1NC(=O)CCN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371692523 557265035 /nfs/dbraw/zinc/26/50/35/557265035.db2.gz KHJYQUUWXTUXEJ-SFHVURJKSA-N 1 3 358.530 2.424 20 0 FEADHO CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000371732153 557277036 /nfs/dbraw/zinc/27/70/36/557277036.db2.gz KEUFFUYADWNZPI-CWFSZBLJSA-N 1 3 356.514 2.388 20 0 FEADHO CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000371732153 557277038 /nfs/dbraw/zinc/27/70/38/557277038.db2.gz KEUFFUYADWNZPI-CWFSZBLJSA-N 1 3 356.514 2.388 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000371792965 557294821 /nfs/dbraw/zinc/29/48/21/557294821.db2.gz QSZJRDPGXQOKGN-MOPGFXCFSA-N 1 3 351.535 2.257 20 0 FEADHO O=C(C[C@@H]1CSCCN1)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000372091468 557378236 /nfs/dbraw/zinc/37/82/36/557378236.db2.gz DAAGYYIQOQIDCU-LJQANCHMSA-N 1 3 361.555 2.152 20 0 FEADHO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C2CCN(CC(C)C)CC2)cc1 ZINC000518963732 562121951 /nfs/dbraw/zinc/12/19/51/562121951.db2.gz MMHKMJWDTACVAU-IBGZPJMESA-N 1 3 363.502 2.095 20 0 FEADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3n[nH]c4c3CNCC4)cc2)C1 ZINC000372462955 557477334 /nfs/dbraw/zinc/47/73/34/557477334.db2.gz JKSGFDCXGVGOMO-AWEZNQCLSA-N 1 3 369.469 2.028 20 0 FEADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3n[nH]c4c3CNCC4)cc2)C1 ZINC000372462955 557477337 /nfs/dbraw/zinc/47/73/37/557477337.db2.gz JKSGFDCXGVGOMO-AWEZNQCLSA-N 1 3 369.469 2.028 20 0 FEADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000372467999 557478825 /nfs/dbraw/zinc/47/88/25/557478825.db2.gz BBJGXZDBGZNHHS-PMACEKPBSA-N 1 3 358.530 2.492 20 0 FEADHO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000372468001 557478852 /nfs/dbraw/zinc/47/88/52/557478852.db2.gz BBJGXZDBGZNHHS-VQTJNVASSA-N 1 3 358.530 2.492 20 0 FEADHO CN(C)CCN1CCC([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000519639981 562138313 /nfs/dbraw/zinc/13/83/13/562138313.db2.gz QZUHSGHDPQQVFH-JOCHJYFZSA-N 1 3 355.526 2.359 20 0 FEADHO C[C@H]1C[C@H](NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC[N@@H+]1C ZINC000519825502 562145678 /nfs/dbraw/zinc/14/56/78/562145678.db2.gz VEMYZQPKPIXJNS-DOTOQJQBSA-N 1 3 358.486 2.214 20 0 FEADHO C[C@H]1C[C@H](NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC[N@H+]1C ZINC000519825502 562145679 /nfs/dbraw/zinc/14/56/79/562145679.db2.gz VEMYZQPKPIXJNS-DOTOQJQBSA-N 1 3 358.486 2.214 20 0 FEADHO O=C1CCC(=O)N1CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000374033767 557811557 /nfs/dbraw/zinc/81/15/57/557811557.db2.gz QWAYCUXLEVUZTE-NRFANRHFSA-N 1 3 355.482 2.124 20 0 FEADHO O=C1CCC(=O)N1CC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000374033767 557811559 /nfs/dbraw/zinc/81/15/59/557811559.db2.gz QWAYCUXLEVUZTE-NRFANRHFSA-N 1 3 355.482 2.124 20 0 FEADHO COc1cccc(CN(C)C(=O)CN2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374176028 557837815 /nfs/dbraw/zinc/83/78/15/557837815.db2.gz LSCQURDVRXKNQO-UHFFFAOYSA-N 1 3 359.514 2.461 20 0 FEADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnc(N(C)C)nc1 ZINC000374286790 557858230 /nfs/dbraw/zinc/85/82/30/557858230.db2.gz ZPJDAYXSAVLMAX-UHFFFAOYSA-N 1 3 374.577 2.171 20 0 FEADHO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000374303337 557862226 /nfs/dbraw/zinc/86/22/26/557862226.db2.gz SAAHVPAHQXTPDD-LJQANCHMSA-N 1 3 362.566 2.455 20 0 FEADHO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000374303337 557862227 /nfs/dbraw/zinc/86/22/27/557862227.db2.gz SAAHVPAHQXTPDD-LJQANCHMSA-N 1 3 362.566 2.455 20 0 FEADHO CCCCOCCNC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374776969 557929818 /nfs/dbraw/zinc/92/98/18/557929818.db2.gz GCYPFAUQYNQZMS-UHFFFAOYSA-N 1 3 362.518 2.163 20 0 FEADHO CO[C@H]1CCC[C@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000376020899 558114836 /nfs/dbraw/zinc/11/48/36/558114836.db2.gz IIZFAQSEPBROHZ-LPHOPBHVSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)C1CCN(CCc2ccncc2)CC1 ZINC000377018910 558252279 /nfs/dbraw/zinc/25/22/79/558252279.db2.gz IDAOIRVAFIYZMG-DENIHFKCSA-N 1 3 371.573 2.494 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000522290427 562196259 /nfs/dbraw/zinc/19/62/59/562196259.db2.gz XSXLKWHKLYELSA-AZUAARDMSA-N 1 3 371.529 2.314 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000522290427 562196260 /nfs/dbraw/zinc/19/62/60/562196260.db2.gz XSXLKWHKLYELSA-AZUAARDMSA-N 1 3 371.529 2.314 20 0 FEADHO COCC[C@]1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[NH2+]C1 ZINC000378212991 558503946 /nfs/dbraw/zinc/50/39/46/558503946.db2.gz YISAAJKAENGWMF-MAUKXSAKSA-N 1 3 351.516 2.017 20 0 FEADHO CCCN1CCN(C2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)CC1 ZINC000378341013 558533720 /nfs/dbraw/zinc/53/37/20/558533720.db2.gz JNRJJGXHRLDPDY-UHFFFAOYSA-N 1 3 368.529 2.259 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000523650732 562216754 /nfs/dbraw/zinc/21/67/54/562216754.db2.gz OECPCAFNOUYQOB-IPMKNSEASA-N 1 3 353.551 2.456 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000523650732 562216755 /nfs/dbraw/zinc/21/67/55/562216755.db2.gz OECPCAFNOUYQOB-IPMKNSEASA-N 1 3 353.551 2.456 20 0 FEADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390956419 558613183 /nfs/dbraw/zinc/61/31/83/558613183.db2.gz VYNJJHQMOCQUMR-HSALFYBXSA-N 1 3 359.514 2.301 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000398025170 558625473 /nfs/dbraw/zinc/62/54/73/558625473.db2.gz DPMNAAAVQMQBST-VUYAKXMISA-N 1 3 371.525 2.298 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000398025170 558625477 /nfs/dbraw/zinc/62/54/77/558625477.db2.gz DPMNAAAVQMQBST-VUYAKXMISA-N 1 3 371.525 2.298 20 0 FEADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](C)S1 ZINC000525254846 562244186 /nfs/dbraw/zinc/24/41/86/562244186.db2.gz XUJCBXSFEYMKHF-GASCZTMLSA-N 1 3 354.564 2.080 20 0 FEADHO CN(CCNC(=O)C1CC[NH+](CCC2(O)CCC2)CC1)Cc1ccccc1 ZINC000411325499 558877514 /nfs/dbraw/zinc/87/75/14/558877514.db2.gz GPKWMIXHNPITEW-UHFFFAOYSA-N 1 3 373.541 2.252 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)ccc1C[NH+](C)C ZINC000411481578 558902413 /nfs/dbraw/zinc/90/24/13/558902413.db2.gz JXCULIAXTNHPRD-GOSISDBHSA-N 1 3 374.529 2.232 20 0 FEADHO CC[NH+]1CCC(NC(=O)CN[C@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000411716034 558949507 /nfs/dbraw/zinc/94/95/07/558949507.db2.gz DCWIDEQNPXXTFM-VQTJNVASSA-N 1 3 359.514 2.314 20 0 FEADHO CCO[C@@H]1C[C@@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000411717555 558949850 /nfs/dbraw/zinc/94/98/50/558949850.db2.gz HPMGUTCLLXIKOM-QZTJIDSGSA-N 1 3 351.535 2.303 20 0 FEADHO C[NH+]1CCC(CCO)(NC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000413701982 559125763 /nfs/dbraw/zinc/12/57/63/559125763.db2.gz UTNSBXQJODFEGE-UHFFFAOYSA-N 1 3 359.514 2.249 20 0 FEADHO C[C@H](CCc1ccsc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414191387 559152525 /nfs/dbraw/zinc/15/25/25/559152525.db2.gz LLHCXKAEZLCWLL-QGZVFWFLSA-N 1 3 351.560 2.455 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNC2)CC(C)C ZINC000414675307 559178804 /nfs/dbraw/zinc/17/88/04/559178804.db2.gz FRPGIPSCPJGTBY-SFHVURJKSA-N 1 3 360.502 2.101 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)C1 ZINC000414695002 559180257 /nfs/dbraw/zinc/18/02/57/559180257.db2.gz OLGZPDPIRPFNCN-MJGOQNOKSA-N 1 3 363.477 2.004 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)C1 ZINC000414695002 559180259 /nfs/dbraw/zinc/18/02/59/559180259.db2.gz OLGZPDPIRPFNCN-MJGOQNOKSA-N 1 3 363.477 2.004 20 0 FEADHO C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)CCN1Cc1ccccc1 ZINC000414696461 559180498 /nfs/dbraw/zinc/18/04/98/559180498.db2.gz PJJBJUAWBLSROE-NRSPTQNISA-N 1 3 372.557 2.169 20 0 FEADHO C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)CCN1Cc1ccccc1 ZINC000414696461 559180500 /nfs/dbraw/zinc/18/05/00/559180500.db2.gz PJJBJUAWBLSROE-NRSPTQNISA-N 1 3 372.557 2.169 20 0 FEADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414700845 559180738 /nfs/dbraw/zinc/18/07/38/559180738.db2.gz GPEFVMPSDRSBKX-INIZCTEOSA-N 1 3 362.518 2.471 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)c1 ZINC000414709168 559181307 /nfs/dbraw/zinc/18/13/07/559181307.db2.gz RDNSQJKSJBSXMU-UHFFFAOYSA-N 1 3 360.502 2.115 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000414709168 559181308 /nfs/dbraw/zinc/18/13/08/559181308.db2.gz RDNSQJKSJBSXMU-UHFFFAOYSA-N 1 3 360.502 2.115 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)c(C)c2)CC1 ZINC000414755219 559185260 /nfs/dbraw/zinc/18/52/60/559185260.db2.gz SYTBYJNLOPWNHG-DLBZAZTESA-N 1 3 359.518 2.386 20 0 FEADHO FC(F)Oc1ccc(Br)cc1CNCCN1CC[NH2+]CC1 ZINC000414873515 559192218 /nfs/dbraw/zinc/19/22/18/559192218.db2.gz XUUAUUBYYZKOHB-UHFFFAOYSA-N 1 3 364.234 2.045 20 0 FEADHO FC(F)(F)[C@H](CNCc1cc(Br)cs1)N1CC[NH2+]CC1 ZINC000414985034 559198952 /nfs/dbraw/zinc/19/89/52/559198952.db2.gz MSHPQTITABEJBI-NSHDSACASA-N 1 3 372.254 2.436 20 0 FEADHO Fc1ccc(-c2n[nH]cc2CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414997196 559199773 /nfs/dbraw/zinc/19/97/73/559199773.db2.gz YHCQLYAJXNAJSW-HNNXBMFYSA-N 1 3 371.382 2.142 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000414997393 559199846 /nfs/dbraw/zinc/19/98/46/559199846.db2.gz YYGPYMJUJPFZGH-SFHVURJKSA-N 1 3 374.529 2.361 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000415037485 559201830 /nfs/dbraw/zinc/20/18/30/559201830.db2.gz MLXSRRPCAJRZOZ-DOTOQJQBSA-N 1 3 372.513 2.114 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000415037485 559201831 /nfs/dbraw/zinc/20/18/31/559201831.db2.gz MLXSRRPCAJRZOZ-DOTOQJQBSA-N 1 3 372.513 2.114 20 0 FEADHO CC[NH+](CC)CCOc1cc(NC(=O)N2CCCNCC2)ccc1OC ZINC000415096989 559205050 /nfs/dbraw/zinc/20/50/50/559205050.db2.gz FGWLDIRBGQLMFS-UHFFFAOYSA-N 1 3 364.490 2.243 20 0 FEADHO CN(C)Cc1cnc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)s1 ZINC000415132685 559207243 /nfs/dbraw/zinc/20/72/43/559207243.db2.gz LPCWHRZGJQGKIV-UHFFFAOYSA-N 1 3 373.570 2.288 20 0 FEADHO C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H](c1ccccc1)N(C)C ZINC000415162064 559210600 /nfs/dbraw/zinc/21/06/00/559210600.db2.gz VTJJQUUZJBNUAO-LIRRHRJNSA-N 1 3 366.465 2.036 20 0 FEADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415203411 559214506 /nfs/dbraw/zinc/21/45/06/559214506.db2.gz RYSUZYDDJLYEOM-LJQANCHMSA-N 1 3 370.497 2.142 20 0 FEADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415203411 559214507 /nfs/dbraw/zinc/21/45/07/559214507.db2.gz RYSUZYDDJLYEOM-LJQANCHMSA-N 1 3 370.497 2.142 20 0 FEADHO C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1CN)C1CCCCC1 ZINC000415487799 559242476 /nfs/dbraw/zinc/24/24/76/559242476.db2.gz SFQJZGRQFIDLCB-GOSISDBHSA-N 1 3 372.513 2.339 20 0 FEADHO C[N@@H+](Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1CN)C1CCCCC1 ZINC000415487799 559242477 /nfs/dbraw/zinc/24/24/77/559242477.db2.gz SFQJZGRQFIDLCB-GOSISDBHSA-N 1 3 372.513 2.339 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000415772959 559269763 /nfs/dbraw/zinc/26/97/63/559269763.db2.gz USEPWEUIQIYQKZ-UHFFFAOYSA-N 1 3 372.513 2.069 20 0 FEADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000415799488 559272135 /nfs/dbraw/zinc/27/21/35/559272135.db2.gz CEYBPZFASJXZGA-FUHWJXTLSA-N 1 3 372.513 2.245 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415935250 559283415 /nfs/dbraw/zinc/28/34/15/559283415.db2.gz JIUSRSISBGVNRL-UHFFFAOYSA-N 1 3 372.469 2.286 20 0 FEADHO [NH3+]Cc1ccc(NC(=O)NCc2ccccc2CN2CCC[C@H]2CO)cc1 ZINC000415961671 559285095 /nfs/dbraw/zinc/28/50/95/559285095.db2.gz RVMJPUNVJAFHEB-FQEVSTJZSA-N 1 3 368.481 2.424 20 0 FEADHO CN(CCCNC(=O)N1CCC(OCCC[NH3+])CC1)Cc1ccccc1 ZINC000416871190 559336027 /nfs/dbraw/zinc/33/60/27/559336027.db2.gz JJFGTMYAZCQBRK-UHFFFAOYSA-N 1 3 362.518 2.048 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)c1cccc(OC)c1 ZINC000416930553 559338987 /nfs/dbraw/zinc/33/89/87/559338987.db2.gz YOTKJHYSDSLWBF-PKOBYXMFSA-N 1 3 362.518 2.472 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000416963699 559340597 /nfs/dbraw/zinc/34/05/97/559340597.db2.gz BOFRPTPEXKHZOE-GOSISDBHSA-N 1 3 362.518 2.204 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000416967030 559340665 /nfs/dbraw/zinc/34/06/65/559340665.db2.gz GNJGREBIVMJFHP-RTBURBONSA-N 1 3 374.529 2.158 20 0 FEADHO COCC1(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[NH2+]CC1 ZINC000417018328 559344076 /nfs/dbraw/zinc/34/40/76/559344076.db2.gz HPAUYOZWTYMQEY-IBGZPJMESA-N 1 3 374.529 2.139 20 0 FEADHO CC(C)(CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000417088439 559347321 /nfs/dbraw/zinc/34/73/21/559347321.db2.gz KQJDRRJKPCXYJV-LJQANCHMSA-N 1 3 356.514 2.359 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417093478 559347410 /nfs/dbraw/zinc/34/74/10/559347410.db2.gz BIKXAVDQFQLLQS-SFHVURJKSA-N 1 3 366.575 2.133 20 0 FEADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417120456 559348811 /nfs/dbraw/zinc/34/88/11/559348811.db2.gz VHLVFGVNEGRHJS-CVEARBPZSA-N 1 3 354.564 2.165 20 0 FEADHO O=C(NCC[C@H]1CC[NH2+]C1)NCC1CCN(Cc2cccs2)CC1 ZINC000417376754 559360006 /nfs/dbraw/zinc/36/00/06/559360006.db2.gz DXFLLCRVGNVDOJ-OAHLLOKOSA-N 1 3 350.532 2.259 20 0 FEADHO COc1cc(NC(=O)NC(C)(C)C[NH+](C)C)ccc1OCCN(C)C ZINC000417684126 559372245 /nfs/dbraw/zinc/37/22/45/559372245.db2.gz NNNAMTAMBTWIJV-UHFFFAOYSA-N 1 3 352.479 2.097 20 0 FEADHO CN(C)C(=O)c1ccccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000417805455 559377009 /nfs/dbraw/zinc/37/70/09/559377009.db2.gz DIFCITCJNLCUAD-UHFFFAOYSA-N 1 3 359.514 2.465 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)CCN1Cc1ccccc1 ZINC000417833504 559378364 /nfs/dbraw/zinc/37/83/64/559378364.db2.gz JLFMRDCHIXHRNL-FVQBIDKESA-N 1 3 354.445 2.321 20 0 FEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000418033796 559387335 /nfs/dbraw/zinc/38/73/35/559387335.db2.gz NVFOEGQXBKHZLG-HZPDHXFCSA-N 1 3 356.461 2.425 20 0 FEADHO C[C@@H]1CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H](C)CN1 ZINC000418112804 559390472 /nfs/dbraw/zinc/39/04/72/559390472.db2.gz ZEMQXTYKMPGPPH-HGWMRPEMSA-N 1 3 362.440 2.184 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NCC[NH2+]C2CCCCCC2)CCCO1 ZINC000418113648 559390639 /nfs/dbraw/zinc/39/06/39/559390639.db2.gz JVEMLCDPOJVAJJ-KRWDZBQOSA-N 1 3 354.539 2.099 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NCC[NH2+]C2CCCCCC2)CCCO1 ZINC000418113649 559390760 /nfs/dbraw/zinc/39/07/60/559390760.db2.gz JVEMLCDPOJVAJJ-QGZVFWFLSA-N 1 3 354.539 2.099 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)N[C@H](C[NH3+])C3CCCC3)cc2)CC1 ZINC000418171866 559392848 /nfs/dbraw/zinc/39/28/48/559392848.db2.gz QTPCZBYYFATQLL-HXUWFJFHSA-N 1 3 374.529 2.476 20 0 FEADHO C[C@H]1[C@@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1Cc1ccccc1 ZINC000418188582 559393457 /nfs/dbraw/zinc/39/34/57/559393457.db2.gz GJYHRSLKSWRMJP-FFGOWVMKSA-N 1 3 356.514 2.290 20 0 FEADHO C[C@H]1[C@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000418194642 559393680 /nfs/dbraw/zinc/39/36/80/559393680.db2.gz PDUKUKWNAHZWPD-PKOBYXMFSA-N 1 3 356.514 2.435 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)N(C)C)cc1 ZINC000418216765 559394283 /nfs/dbraw/zinc/39/42/83/559394283.db2.gz ZULDYGYMPJZLKK-AYBZRNKSSA-N 1 3 362.518 2.455 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)N(C)C)cc1 ZINC000418229154 559394718 /nfs/dbraw/zinc/39/47/18/559394718.db2.gz GDSUCLSCGYCQMZ-MJGOQNOKSA-N 1 3 362.543 2.406 20 0 FEADHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000418231874 559394797 /nfs/dbraw/zinc/39/47/97/559394797.db2.gz LWXRDXUOOVDRJF-NVXWUHKLSA-N 1 3 350.532 2.405 20 0 FEADHO C[C@H]1CN(CCC2CCN(C(=O)NCCC[NH2+]C3CC3)CC2)C[C@H](C)O1 ZINC000418286510 559396431 /nfs/dbraw/zinc/39/64/31/559396431.db2.gz RELWGYIOLSNLDN-IRXDYDNUSA-N 1 3 366.550 2.049 20 0 FEADHO O=C(NC[C@H]1CCC[NH2+]C1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418309304 559397134 /nfs/dbraw/zinc/39/71/34/559397134.db2.gz CITVRLWEASAURB-FPOVZHCZSA-N 1 3 356.514 2.294 20 0 FEADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000418330457 559397728 /nfs/dbraw/zinc/39/77/28/559397728.db2.gz BYJUITKNXZHBJL-LSDHHAIUSA-N 1 3 368.472 2.426 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418332887 559397923 /nfs/dbraw/zinc/39/79/23/559397923.db2.gz GCYZUXITKYWZOH-CQSZACIVSA-N 1 3 354.445 2.038 20 0 FEADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000418335512 559398096 /nfs/dbraw/zinc/39/80/96/559398096.db2.gz HJYTUSVTBLMXJD-WBVHZDCISA-N 1 3 350.482 2.287 20 0 FEADHO CCCC[C@H](C[NH3+])NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418462307 559402658 /nfs/dbraw/zinc/40/26/58/559402658.db2.gz KCDFNIBJRVPFGZ-XYJFISCASA-N 1 3 354.539 2.035 20 0 FEADHO N[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000418460179 559402712 /nfs/dbraw/zinc/40/27/12/559402712.db2.gz ZXCXYLYRYPIPIE-KFKAGJAMSA-N 1 3 374.435 2.410 20 0 FEADHO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N(CCN(C)C)C(C)C)cc1 ZINC000418538698 559405311 /nfs/dbraw/zinc/40/53/11/559405311.db2.gz DZPSAKCYDOHJMM-RTBURBONSA-N 1 3 362.518 2.122 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418564962 559406399 /nfs/dbraw/zinc/40/63/99/559406399.db2.gz KKCNVUCRVPSRRY-YJBOKZPZSA-N 1 3 366.456 2.146 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418584143 559407030 /nfs/dbraw/zinc/40/70/30/559407030.db2.gz BUZQBUZRYWQNFT-RHSMWYFYSA-N 1 3 352.910 2.411 20 0 FEADHO C[C@H](CCC[NH3+])NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418681395 559411081 /nfs/dbraw/zinc/41/10/81/559411081.db2.gz DEYKATVIRTXTDP-IKGGRYGDSA-N 1 3 354.539 2.035 20 0 FEADHO C[C@H](CCCC[NH3+])NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418709486 559411984 /nfs/dbraw/zinc/41/19/84/559411984.db2.gz UNVCLSARPXWQIG-IKGGRYGDSA-N 1 3 354.539 2.035 20 0 FEADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@H]3CNCCC3(F)F)C2)CC1 ZINC000418748203 559413704 /nfs/dbraw/zinc/41/37/04/559413704.db2.gz KKTYNKXWHHVBOD-CVEARBPZSA-N 1 3 358.477 2.137 20 0 FEADHO Cc1cccc(OCCCNC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420327435 559480814 /nfs/dbraw/zinc/48/08/14/559480814.db2.gz LCQGNJDIDJCIRQ-RBUKOAKNSA-N 1 3 359.514 2.202 20 0 FEADHO [NH3+]C[C@@H]1CN(CCCc2nc(-c3cccs3)no2)CC12CCOCC2 ZINC000420336752 559481723 /nfs/dbraw/zinc/48/17/23/559481723.db2.gz WGGPJEPHSRSFIY-CQSZACIVSA-N 1 3 362.499 2.418 20 0 FEADHO C[C@@H]1CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@@H]1C[NH3+] ZINC000420413233 559486563 /nfs/dbraw/zinc/48/65/63/559486563.db2.gz SVKBMXXEIVHSRC-CVEARBPZSA-N 1 3 358.486 2.059 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CC[NH2+]C[C@@H]1c1ccccc1)c1ccccc1 ZINC000420416277 559486726 /nfs/dbraw/zinc/48/67/26/559486726.db2.gz VRJGCXJGNSMADL-LEWJYISDSA-N 1 3 366.509 2.052 20 0 FEADHO C[NH+](C)C1CCC(NC(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000420889899 559509671 /nfs/dbraw/zinc/50/96/71/559509671.db2.gz JRNADXCKBQJCCH-UHFFFAOYSA-N 1 3 359.518 2.470 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(C[C@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000420974382 559515745 /nfs/dbraw/zinc/51/57/45/559515745.db2.gz DMAXGRBVRWVHGP-OAQYLSRUSA-N 1 3 363.521 2.221 20 0 FEADHO CCN1CCC([N@H+]2CCCN(C[C@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000420974382 559515746 /nfs/dbraw/zinc/51/57/46/559515746.db2.gz DMAXGRBVRWVHGP-OAQYLSRUSA-N 1 3 363.521 2.221 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3cccc(C(=O)NC)c3)CC2)CC1 ZINC000420985872 559517344 /nfs/dbraw/zinc/51/73/44/559517344.db2.gz XBCFAOCBIIWQBP-UHFFFAOYSA-N 1 3 358.530 2.038 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000421017969 559520052 /nfs/dbraw/zinc/52/00/52/559520052.db2.gz VWRMLHFVFXFRMH-QUCCMNQESA-N 1 3 364.578 2.173 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)N[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000421017969 559520053 /nfs/dbraw/zinc/52/00/53/559520053.db2.gz VWRMLHFVFXFRMH-QUCCMNQESA-N 1 3 364.578 2.173 20 0 FEADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000421699132 559549692 /nfs/dbraw/zinc/54/96/92/559549692.db2.gz AJRCMZGJCXDYGT-FQEVSTJZSA-N 1 3 358.530 2.141 20 0 FEADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000421699132 559549693 /nfs/dbraw/zinc/54/96/93/559549693.db2.gz AJRCMZGJCXDYGT-FQEVSTJZSA-N 1 3 358.530 2.141 20 0 FEADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H]1C[NH3+] ZINC000422625411 559598461 /nfs/dbraw/zinc/59/84/61/559598461.db2.gz BKDULWRKVVURRJ-IXDOHACOSA-N 1 3 372.513 2.447 20 0 FEADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H]1CN ZINC000422625411 559598462 /nfs/dbraw/zinc/59/84/62/559598462.db2.gz BKDULWRKVVURRJ-IXDOHACOSA-N 1 3 372.513 2.447 20 0 FEADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H]1CN ZINC000422625411 559598463 /nfs/dbraw/zinc/59/84/63/559598463.db2.gz BKDULWRKVVURRJ-IXDOHACOSA-N 1 3 372.513 2.447 20 0 FEADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000422755398 559605659 /nfs/dbraw/zinc/60/56/59/559605659.db2.gz BMZIJTKEHSGNOQ-NZQKXSOJSA-N 1 3 366.553 2.352 20 0 FEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCN1CCN(Cc2ccccc2)CC1 ZINC000422755398 559605660 /nfs/dbraw/zinc/60/56/60/559605660.db2.gz BMZIJTKEHSGNOQ-NZQKXSOJSA-N 1 3 366.553 2.352 20 0 FEADHO C[C@H]([NH2+]CCCN1CCN(Cc2ccccc2)CC1)c1cnccc1N ZINC000422834201 559608054 /nfs/dbraw/zinc/60/80/54/559608054.db2.gz NKTXTBHITZUIMK-SFHVURJKSA-N 1 3 353.514 2.353 20 0 FEADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422856123 559608661 /nfs/dbraw/zinc/60/86/61/559608661.db2.gz DQIVTXGWPVWULN-DZGCQCFKSA-N 1 3 354.292 2.286 20 0 FEADHO COc1cc2[nH]c(CCC[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)cc2c(OC)c1 ZINC000422869122 559609209 /nfs/dbraw/zinc/60/92/09/559609209.db2.gz WDZKHHBAFABSBJ-FSPWUOQZSA-N 1 3 361.486 2.460 20 0 FEADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422938350 559612049 /nfs/dbraw/zinc/61/20/49/559612049.db2.gz KPPZKALERCYYFJ-APWZRJJASA-N 1 3 350.938 2.440 20 0 FEADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000422941490 559612338 /nfs/dbraw/zinc/61/23/38/559612338.db2.gz OSWDSHBZJJRWQK-SJLPKXTDSA-N 1 3 351.516 2.078 20 0 FEADHO OC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1cc(F)c(F)c(F)c1 ZINC000423072110 559617389 /nfs/dbraw/zinc/61/73/89/559617389.db2.gz GTJKTJHPPBZXEC-IHETXDGRSA-N 1 3 372.431 2.002 20 0 FEADHO CCOC(=O)C1([C@@H](C)N[C@@H](CN(C)C)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423102529 559619043 /nfs/dbraw/zinc/61/90/43/559619043.db2.gz FKNHXBIHUDZWAH-QAPCUYQASA-N 1 3 365.493 2.339 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](C)CCN2)c1 ZINC000423343165 559626045 /nfs/dbraw/zinc/62/60/45/559626045.db2.gz ZIRXOSDMMASYRT-YJBOKZPZSA-N 1 3 360.502 2.085 20 0 FEADHO CCN(C(=O)COC1CC[NH2+]CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000423359733 559626539 /nfs/dbraw/zinc/62/65/39/559626539.db2.gz VPEFRYPEEWTJTI-PKOBYXMFSA-N 1 3 359.514 2.439 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3C[C@@H](C)CC[NH2+]3)CC2)cc1 ZINC000423366168 559626867 /nfs/dbraw/zinc/62/68/67/559626867.db2.gz XKEXWQXBJKGUBN-OXJNMPFZSA-N 1 3 359.514 2.412 20 0 FEADHO O=C(N[C@@H]1CNCCC1(F)F)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000423698671 559636270 /nfs/dbraw/zinc/63/62/70/559636270.db2.gz OCFUARCECRTUOT-ZHALLVOQSA-N 1 3 363.452 2.402 20 0 FEADHO O=C(N[C@@H]1CNCCC1(F)F)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000423698671 559636271 /nfs/dbraw/zinc/63/62/71/559636271.db2.gz OCFUARCECRTUOT-ZHALLVOQSA-N 1 3 363.452 2.402 20 0 FEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000423750152 559638178 /nfs/dbraw/zinc/63/81/78/559638178.db2.gz SRLRQNIHIKBPSO-INIZCTEOSA-N 1 3 355.935 2.325 20 0 FEADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423760376 559638685 /nfs/dbraw/zinc/63/86/85/559638685.db2.gz NCTDNCBXDUTPBL-FUHIMQAGSA-N 1 3 351.535 2.242 20 0 FEADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423760376 559638686 /nfs/dbraw/zinc/63/86/86/559638686.db2.gz NCTDNCBXDUTPBL-FUHIMQAGSA-N 1 3 351.535 2.242 20 0 FEADHO COc1ccc([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)c(Cl)c1 ZINC000424328394 559661491 /nfs/dbraw/zinc/66/14/91/559661491.db2.gz ZSPIEJLJVVLFGF-INIZCTEOSA-N 1 3 369.937 2.389 20 0 FEADHO CC[N@H+](CCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425444607 559702544 /nfs/dbraw/zinc/70/25/44/559702544.db2.gz MHXGGFJQEWKBQP-AZUAARDMSA-N 1 3 356.514 2.387 20 0 FEADHO CC[N@@H+](CCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425444607 559702545 /nfs/dbraw/zinc/70/25/45/559702545.db2.gz MHXGGFJQEWKBQP-AZUAARDMSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@H]1[C@@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCCN1C ZINC000425499966 559706070 /nfs/dbraw/zinc/70/60/70/559706070.db2.gz AEHSZOHLAOYDRW-FRYIKTPZSA-N 1 3 356.514 2.385 20 0 FEADHO C[C@H]1[C@@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCCN1C ZINC000425499966 559706071 /nfs/dbraw/zinc/70/60/71/559706071.db2.gz AEHSZOHLAOYDRW-FRYIKTPZSA-N 1 3 356.514 2.385 20 0 FEADHO O=C(CN1CC2(CCC2)[C@@H]1C1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000425545853 559708903 /nfs/dbraw/zinc/70/89/03/559708903.db2.gz DJKYSXYIDVQXHH-FQEVSTJZSA-N 1 3 361.530 2.011 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCc3cc[nH]c(=O)c3C2)CC1 ZINC000426381766 559733881 /nfs/dbraw/zinc/73/38/81/559733881.db2.gz ZHQQYZRVAQKZCD-UHFFFAOYSA-N 1 3 352.482 2.487 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CCc3cc[nH]c(=O)c3C2)CC1 ZINC000426381766 559733882 /nfs/dbraw/zinc/73/38/82/559733882.db2.gz ZHQQYZRVAQKZCD-UHFFFAOYSA-N 1 3 352.482 2.487 20 0 FEADHO COC1CCN(C2(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CCCC2)CC1 ZINC000430709119 559826892 /nfs/dbraw/zinc/82/68/92/559826892.db2.gz WIGHOLJXQWHFJN-WDSOQIARSA-N 1 3 363.546 2.447 20 0 FEADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000430919815 559830489 /nfs/dbraw/zinc/83/04/89/559830489.db2.gz SBMAHGOSTVXEIY-OAHLLOKOSA-N 1 3 364.921 2.048 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@H](C)N2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000430933112 559830804 /nfs/dbraw/zinc/83/08/04/559830804.db2.gz HBEYRTBVICUNRN-GJZGRUSLSA-N 1 3 363.502 2.110 20 0 FEADHO Cc1cc(NC(=O)NCCC[NH+]2CCCCC2)n(C2CCN(C)CC2)n1 ZINC000431141172 559834793 /nfs/dbraw/zinc/83/47/93/559834793.db2.gz RXHWBVYBUXNCQG-UHFFFAOYSA-N 1 3 362.522 2.456 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(CCOC)CC1 ZINC000431792508 559846050 /nfs/dbraw/zinc/84/60/50/559846050.db2.gz CQRNZQYRKMPCQP-PKOBYXMFSA-N 1 3 368.566 2.297 20 0 FEADHO C[C@@H](C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000434376592 559899084 /nfs/dbraw/zinc/89/90/84/559899084.db2.gz FTCDBKNDWFDFJU-RDGPPVDQSA-N 1 3 351.535 2.351 20 0 FEADHO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000438201697 559975594 /nfs/dbraw/zinc/97/55/94/559975594.db2.gz QTVKTYMJQIAKHL-YADHBBJMSA-N 1 3 359.558 2.477 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@H](CC[NH3+])C2)CC1 ZINC000443071371 560069158 /nfs/dbraw/zinc/06/91/58/560069158.db2.gz MEJMPUPQIUSZST-HXUWFJFHSA-N 1 3 372.557 2.090 20 0 FEADHO O=C(NCCCOC1CCN(Cc2ccccc2)CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444270300 560107630 /nfs/dbraw/zinc/10/76/30/560107630.db2.gz OHYSZFXKZMVDCB-IRLDBZIGSA-N 1 3 371.525 2.174 20 0 FEADHO C[NH+](C)CCOc1cccc(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000446264755 560142881 /nfs/dbraw/zinc/14/28/81/560142881.db2.gz LQNKPKWIJYGOKI-SQGPQFPESA-N 1 3 361.486 2.098 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000446265161 560143055 /nfs/dbraw/zinc/14/30/55/560143055.db2.gz NYXBJICQSXCLJE-JQVVWYNYSA-N 1 3 371.525 2.431 20 0 FEADHO OCCCN1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000449385961 560228260 /nfs/dbraw/zinc/22/82/60/560228260.db2.gz GXAVRIHXZXWNEF-YUMYIRISSA-N 1 3 357.542 2.333 20 0 FEADHO [NH3+]CC[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(F)(F)F ZINC000449724086 560238339 /nfs/dbraw/zinc/23/83/39/560238339.db2.gz GPAAMMLOTYBYHU-ZFWWWQNUSA-N 1 3 361.383 2.434 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCc1ncc(C)o1 ZINC000449823791 560241359 /nfs/dbraw/zinc/24/13/59/560241359.db2.gz KBLNLCUPYMZRAF-KRWDZBQOSA-N 1 3 350.507 2.180 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCc1ncc(C)o1 ZINC000449823791 560241360 /nfs/dbraw/zinc/24/13/60/560241360.db2.gz KBLNLCUPYMZRAF-KRWDZBQOSA-N 1 3 350.507 2.180 20 0 FEADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000450029959 560248531 /nfs/dbraw/zinc/24/85/31/560248531.db2.gz VDJBNNBZJQCAFG-XLIONFOSSA-N 1 3 365.562 2.335 20 0 FEADHO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CCCCN1C1CCCC1 ZINC000450263681 560256182 /nfs/dbraw/zinc/25/61/82/560256182.db2.gz QXSIALRKFGSAKY-MOPGFXCFSA-N 1 3 351.535 2.137 20 0 FEADHO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CCCCN1C1CCCC1 ZINC000450263681 560256183 /nfs/dbraw/zinc/25/61/83/560256183.db2.gz QXSIALRKFGSAKY-MOPGFXCFSA-N 1 3 351.535 2.137 20 0 FEADHO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@@H]1CCCCN1C1CCCC1 ZINC000450263682 560256224 /nfs/dbraw/zinc/25/62/24/560256224.db2.gz QXSIALRKFGSAKY-OALUTQOASA-N 1 3 351.535 2.137 20 0 FEADHO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@@H]1CCCCN1C1CCCC1 ZINC000450263682 560256225 /nfs/dbraw/zinc/25/62/25/560256225.db2.gz QXSIALRKFGSAKY-OALUTQOASA-N 1 3 351.535 2.137 20 0 FEADHO CC[C@H]1[C@H](CO)CCN1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000451256788 560296299 /nfs/dbraw/zinc/29/62/99/560296299.db2.gz PIEBRPHWANKDDZ-FPOVZHCZSA-N 1 3 373.541 2.168 20 0 FEADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)Cc3cnccn3)cc2)CC1 ZINC000453057414 560382635 /nfs/dbraw/zinc/38/26/35/560382635.db2.gz DZDDRXCYFPWPNG-SFHVURJKSA-N 1 3 353.514 2.335 20 0 FEADHO CN1CC[C@@H]2CN(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC000454372987 560441964 /nfs/dbraw/zinc/44/19/64/560441964.db2.gz JNBAUKSLSDGBOF-UXHICEINSA-N 1 3 356.514 2.244 20 0 FEADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000454636026 560452383 /nfs/dbraw/zinc/45/23/83/560452383.db2.gz FBASGUSIKFVWAU-PKOBYXMFSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000454636026 560452384 /nfs/dbraw/zinc/45/23/84/560452384.db2.gz FBASGUSIKFVWAU-PKOBYXMFSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCN(C3CC3)C[C@H](C)C2)C1 ZINC000457702708 560582571 /nfs/dbraw/zinc/58/25/71/560582571.db2.gz DRQIIAHOGHOARL-KURKYZTESA-N 1 3 350.551 2.480 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC1(OC)CCC1 ZINC000458818709 560650101 /nfs/dbraw/zinc/65/01/01/560650101.db2.gz OGENNYBZYYGSBP-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC1(OC)CCC1 ZINC000458818709 560650102 /nfs/dbraw/zinc/65/01/02/560650102.db2.gz OGENNYBZYYGSBP-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO C[N@@H+]1CCC[C@H](CCNCc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000459740265 560705507 /nfs/dbraw/zinc/70/55/07/560705507.db2.gz UAGLOTQDFVOGMA-GOSISDBHSA-N 1 3 359.514 2.413 20 0 FEADHO C[N@H+]1CCC[C@H](CCNCc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000459740265 560705508 /nfs/dbraw/zinc/70/55/08/560705508.db2.gz UAGLOTQDFVOGMA-GOSISDBHSA-N 1 3 359.514 2.413 20 0 FEADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460343878 560742134 /nfs/dbraw/zinc/74/21/34/560742134.db2.gz SSGNOPIGDUXCRO-XUVXKRRUSA-N 1 3 368.525 2.387 20 0 FEADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460343878 560742135 /nfs/dbraw/zinc/74/21/35/560742135.db2.gz SSGNOPIGDUXCRO-XUVXKRRUSA-N 1 3 368.525 2.387 20 0 FEADHO C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000461089435 560761063 /nfs/dbraw/zinc/76/10/63/560761063.db2.gz QQLQNVPVGRTGOV-OXJNMPFZSA-N 1 3 350.503 2.455 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CC1 ZINC000465005179 560856615 /nfs/dbraw/zinc/85/66/15/560856615.db2.gz DIRIIQPTLATXMA-IEBWSBKVSA-N 1 3 368.566 2.248 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000465609346 560869835 /nfs/dbraw/zinc/86/98/35/560869835.db2.gz TZPFNLWSYYUOQO-RTBURBONSA-N 1 3 368.566 2.393 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000465609346 560869836 /nfs/dbraw/zinc/86/98/36/560869836.db2.gz TZPFNLWSYYUOQO-RTBURBONSA-N 1 3 368.566 2.393 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000465636915 560870144 /nfs/dbraw/zinc/87/01/44/560870144.db2.gz PPUKRMQTLSBKPD-SFHVURJKSA-N 1 3 368.566 2.393 20 0 FEADHO CN(C)CCOC1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000466303841 560884024 /nfs/dbraw/zinc/88/40/24/560884024.db2.gz ZACDPHYKAXKYTR-GOSISDBHSA-N 1 3 366.550 2.003 20 0 FEADHO CN(C)CCOC1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000466303841 560884025 /nfs/dbraw/zinc/88/40/25/560884025.db2.gz ZACDPHYKAXKYTR-GOSISDBHSA-N 1 3 366.550 2.003 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000466670486 560892551 /nfs/dbraw/zinc/89/25/51/560892551.db2.gz RYACERFAZBWACK-MBOZVWFJSA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000466670486 560892552 /nfs/dbraw/zinc/89/25/52/560892552.db2.gz RYACERFAZBWACK-MBOZVWFJSA-N 1 3 368.566 2.248 20 0 FEADHO CC(C)C[C@H]([NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)C(=O)NCCN(C)C ZINC000467360002 560909001 /nfs/dbraw/zinc/90/90/01/560909001.db2.gz REXPLRKFRSCJLR-HCXYKTFWSA-N 1 3 353.551 2.264 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC3([NH+](C)C)CCCC3)cc2)CC1 ZINC000468410545 560929138 /nfs/dbraw/zinc/92/91/38/560929138.db2.gz YMQHKZUMSPAQRG-UHFFFAOYSA-N 1 3 358.530 2.433 20 0 FEADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000468470582 560930782 /nfs/dbraw/zinc/93/07/82/560930782.db2.gz QYLCOWMDCVURAO-QGZVFWFLSA-N 1 3 351.535 2.258 20 0 FEADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000468470582 560930783 /nfs/dbraw/zinc/93/07/83/560930783.db2.gz QYLCOWMDCVURAO-QGZVFWFLSA-N 1 3 351.535 2.258 20 0 FEADHO CC(C)[NH+]1CCC(C(=O)NCCc2ccc(OCCN(C)C)cc2)CC1 ZINC000468840255 560940176 /nfs/dbraw/zinc/94/01/76/560940176.db2.gz FEYVRHQWZFVQPD-UHFFFAOYSA-N 1 3 361.530 2.406 20 0 FEADHO COc1ccccc1/C=C\CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000469858294 560966872 /nfs/dbraw/zinc/96/68/72/560966872.db2.gz DBRUHGCBHRFASM-NQPDJEJGSA-N 1 3 357.498 2.289 20 0 FEADHO COc1c(C)cc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1C ZINC000469867930 560967378 /nfs/dbraw/zinc/96/73/78/560967378.db2.gz ZAONSVOPANCSSZ-PKOBYXMFSA-N 1 3 359.514 2.392 20 0 FEADHO C[C@H](CN1CCC[C@@H](C(=O)NCC[NH3+])C1)c1cccc(Br)c1 ZINC000470008840 560971825 /nfs/dbraw/zinc/97/18/25/560971825.db2.gz NGYIVIWOVKTPFD-UKRRQHHQSA-N 1 3 368.319 2.340 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H](CCO)C(C)C)CC1 ZINC000475130514 561091249 /nfs/dbraw/zinc/09/12/49/561091249.db2.gz OKJPOTQXJRGAFC-HXUWFJFHSA-N 1 3 361.530 2.072 20 0 FEADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)N2CCCC2)cc1 ZINC000529280417 562367004 /nfs/dbraw/zinc/36/70/04/562367004.db2.gz CXGZRNZFYRKICZ-RBUKOAKNSA-N 1 3 372.513 2.416 20 0 FEADHO O=C(NC[C@@H]1CCN1C1CCCCC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000529718005 562382427 /nfs/dbraw/zinc/38/24/27/562382427.db2.gz HJLDFEUHQZNQBY-RBBKRZOGSA-N 1 3 371.525 2.147 20 0 FEADHO O=C(NC[C@@H]1CCN1C1CCCCC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000529718005 562382428 /nfs/dbraw/zinc/38/24/28/562382428.db2.gz HJLDFEUHQZNQBY-RBBKRZOGSA-N 1 3 371.525 2.147 20 0 FEADHO COc1c2ccccc2oc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530384470 562409235 /nfs/dbraw/zinc/40/92/35/562409235.db2.gz RJTPMAUZBFZAIR-UHFFFAOYSA-N 1 3 362.474 2.076 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1csc(Cc2ccccc2)n1 ZINC000530641432 562418682 /nfs/dbraw/zinc/41/86/82/562418682.db2.gz XMSLBNSKIWCRGL-UHFFFAOYSA-N 1 3 374.554 2.228 20 0 FEADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000530754882 562422957 /nfs/dbraw/zinc/42/29/57/562422957.db2.gz WOCMJHCSTBBIDA-JTDSTZFVSA-N 1 3 362.518 2.074 20 0 FEADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000530827252 562425279 /nfs/dbraw/zinc/42/52/79/562425279.db2.gz HNLVQLIXAOWAKW-RTWAWAEBSA-N 1 3 370.541 2.484 20 0 FEADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000530827252 562425280 /nfs/dbraw/zinc/42/52/80/562425280.db2.gz HNLVQLIXAOWAKW-RTWAWAEBSA-N 1 3 370.541 2.484 20 0 FEADHO O=C(N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531301173 562441277 /nfs/dbraw/zinc/44/12/77/562441277.db2.gz IMJITJOIGQWAST-IFMALSPDSA-N 1 3 371.525 2.100 20 0 FEADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000536532872 562577990 /nfs/dbraw/zinc/57/79/90/562577990.db2.gz FNWGESNPFHGKQR-RBBKRZOGSA-N 1 3 374.573 2.066 20 0 FEADHO CC(C)C[C@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)NCC[NH+](C)C ZINC000540744642 562592401 /nfs/dbraw/zinc/59/24/01/562592401.db2.gz PTYFDYAMUFADFP-NNSISHGFSA-N 1 3 367.559 2.167 20 0 FEADHO CCN(CC)C(=O)CCC1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000541085606 562602638 /nfs/dbraw/zinc/60/26/38/562602638.db2.gz KVVKYSUSGLALMD-KDURUIRLSA-N 1 3 351.535 2.210 20 0 FEADHO COC(=O)c1csc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000602655981 568006122 /nfs/dbraw/zinc/00/61/22/568006122.db2.gz JRXWMQOIHIXXJM-MRXNPFEDSA-N 1 3 351.516 2.135 20 0 FEADHO CN(C)CCN(C(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000636753752 568033414 /nfs/dbraw/zinc/03/34/14/568033414.db2.gz GHRSDBXYMMHJIM-UHFFFAOYSA-N 1 3 356.470 2.230 20 0 FEADHO CN(C)CCOC1CCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000604171461 568221129 /nfs/dbraw/zinc/22/11/29/568221129.db2.gz NJZRYYMYYYECJV-LJQANCHMSA-N 1 3 368.566 2.249 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000604171878 568221237 /nfs/dbraw/zinc/22/12/37/568221237.db2.gz RXLHXDLIQFKMEK-HDICACEKSA-N 1 3 368.566 2.107 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC(OCCN(C)C)CC2)C1 ZINC000604171878 568221238 /nfs/dbraw/zinc/22/12/38/568221238.db2.gz RXLHXDLIQFKMEK-HDICACEKSA-N 1 3 368.566 2.107 20 0 FEADHO C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000736265690 599484185 /nfs/dbraw/zinc/48/41/85/599484185.db2.gz LFBSTEPMULOTGQ-HNNXBMFYSA-N 1 3 368.489 2.116 20 0 FEADHO C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000736265690 599484187 /nfs/dbraw/zinc/48/41/87/599484187.db2.gz LFBSTEPMULOTGQ-HNNXBMFYSA-N 1 3 368.489 2.116 20 0 FEADHO C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1 ZINC000736265690 599484189 /nfs/dbraw/zinc/48/41/89/599484189.db2.gz LFBSTEPMULOTGQ-HNNXBMFYSA-N 1 3 368.489 2.116 20 0 FEADHO C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1 ZINC000736265690 599484191 /nfs/dbraw/zinc/48/41/91/599484191.db2.gz LFBSTEPMULOTGQ-HNNXBMFYSA-N 1 3 368.489 2.116 20 0 FEADHO CN(CCCNC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000809741750 674508350 /nfs/dbraw/zinc/50/83/50/674508350.db2.gz VFZXWKZVAKCVCI-QGZVFWFLSA-N 1 3 354.539 2.002 20 0 FEADHO CN(CCCNC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000809741750 674508352 /nfs/dbraw/zinc/50/83/52/674508352.db2.gz VFZXWKZVAKCVCI-QGZVFWFLSA-N 1 3 354.539 2.002 20 0 FEADHO COCC[N@H+](C)CCCC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000826157747 608378115 /nfs/dbraw/zinc/37/81/15/608378115.db2.gz JRUITTVGCLENEF-UHFFFAOYSA-N 1 3 372.517 2.437 20 0 FEADHO COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000826157747 608378117 /nfs/dbraw/zinc/37/81/17/608378117.db2.gz JRUITTVGCLENEF-UHFFFAOYSA-N 1 3 372.517 2.437 20 0 FEADHO COCC[N@H+](C)CCCC1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000826157747 608378119 /nfs/dbraw/zinc/37/81/19/608378119.db2.gz JRUITTVGCLENEF-UHFFFAOYSA-N 1 3 372.517 2.437 20 0 FEADHO COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000826157747 608378121 /nfs/dbraw/zinc/37/81/21/608378121.db2.gz JRUITTVGCLENEF-UHFFFAOYSA-N 1 3 372.517 2.437 20 0 FEADHO CCOC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000561316290 674655557 /nfs/dbraw/zinc/65/55/57/674655557.db2.gz QOIIIQZIDMRCME-IBGZPJMESA-N 1 3 353.551 2.360 20 0 FEADHO COCCC[NH+]1CCC(NC[C@H](O)COc2ccccc2Cl)CC1 ZINC000573437745 671122626 /nfs/dbraw/zinc/12/26/26/671122626.db2.gz HZYUTPCHWKAMSE-INIZCTEOSA-N 1 3 356.894 2.170 20 0 FEADHO CCC[N@H+](CCN1CCCCCC1)C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000574551071 671253540 /nfs/dbraw/zinc/25/35/40/671253540.db2.gz FWQBYHHFXYFOMM-UFYCRDLUSA-N 1 3 355.567 2.045 20 0 FEADHO CCC[N@@H+](CCN1CCCCCC1)C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000574551071 671253543 /nfs/dbraw/zinc/25/35/43/671253543.db2.gz FWQBYHHFXYFOMM-UFYCRDLUSA-N 1 3 355.567 2.045 20 0 FEADHO CC[NH2+]CCCN[C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000579108170 671712561 /nfs/dbraw/zinc/71/25/61/671712561.db2.gz ARYOMZHWQKDYSV-GOSISDBHSA-N 1 3 366.937 2.168 20 0 FEADHO CCN1CCN([C@H](C)CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000579128674 671714472 /nfs/dbraw/zinc/71/44/72/671714472.db2.gz LXGMIGIGEMIABN-MJGOQNOKSA-N 1 3 352.567 2.207 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)O[C@@H](C)[C@H]3C)CC2)CC1 ZINC000579492083 671740071 /nfs/dbraw/zinc/74/00/71/671740071.db2.gz UZSWOPDMYCBVDW-BBWFWOEESA-N 1 3 351.535 2.207 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(CCOC)C3)CC2)CC1 ZINC000579612272 671748475 /nfs/dbraw/zinc/74/84/75/671748475.db2.gz DAOPEFHULVSTPB-UHFFFAOYSA-N 1 3 351.535 2.068 20 0 FEADHO COCC[N@H+](C)C[C@H](O)CN1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000579969231 671773806 /nfs/dbraw/zinc/77/38/06/671773806.db2.gz DRUUFPNRDCRMCY-IBGZPJMESA-N 1 3 356.457 2.158 20 0 FEADHO COCC[N@@H+](C)C[C@H](O)CN1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000579969231 671773809 /nfs/dbraw/zinc/77/38/09/671773809.db2.gz DRUUFPNRDCRMCY-IBGZPJMESA-N 1 3 356.457 2.158 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(F)cc1Br ZINC000170908800 672327113 /nfs/dbraw/zinc/32/71/13/672327113.db2.gz QWKIJMYSBPLFOB-CYBMUJFWSA-N 1 3 357.271 2.477 20 0 FEADHO C[C@H]1C[C@@H](NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000721855625 673084164 /nfs/dbraw/zinc/08/41/64/673084164.db2.gz SJRZDJVPFFDOGF-RDJZCZTQSA-N 1 3 354.539 2.048 20 0 FEADHO C[C@H]1C[C@@H](NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000721855625 673084167 /nfs/dbraw/zinc/08/41/67/673084167.db2.gz SJRZDJVPFFDOGF-RDJZCZTQSA-N 1 3 354.539 2.048 20 0 FEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000390765597 673160567 /nfs/dbraw/zinc/16/05/67/673160567.db2.gz DWAZKNXAZPZCTA-NVXWUHKLSA-N 1 3 355.404 2.309 20 0 FEADHO C[C@H](CCNC(=O)CC1(N2CCOCC2)CCCC1)[NH+]1CCCCC1 ZINC000542456128 673583516 /nfs/dbraw/zinc/58/35/16/673583516.db2.gz VOSZNUYFXDGSTQ-GOSISDBHSA-N 1 3 351.535 2.402 20 0 FEADHO CN1CCC([NH+]2CCC(NC[C@@H](O)c3ccc(F)cc3F)CC2)CC1 ZINC000818988148 675250249 /nfs/dbraw/zinc/25/02/49/675250249.db2.gz LAKCPBRBSABXPL-LJQANCHMSA-N 1 3 353.457 2.146 20 0 FEADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000567093242 675265922 /nfs/dbraw/zinc/26/59/22/675265922.db2.gz PXBNYEQBJDRGOF-DLBZAZTESA-N 1 3 354.539 2.002 20 0 FEADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000567093242 675265928 /nfs/dbraw/zinc/26/59/28/675265928.db2.gz PXBNYEQBJDRGOF-DLBZAZTESA-N 1 3 354.539 2.002 20 0 FEADHO C[NH+](C)CCOc1cc(CNC[C@H](O)c2ccc(F)c(F)c2)ccn1 ZINC000819195436 675268685 /nfs/dbraw/zinc/26/86/85/675268685.db2.gz CQGPQMMNIAWXLB-KRWDZBQOSA-N 1 3 351.397 2.123 20 0 FEADHO CCOc1cc(CN[C@H](C)C[C@H](C)[NH3+])ccc1O[C@H](C)C(=O)N(C)C ZINC000567501775 675298528 /nfs/dbraw/zinc/29/85/28/675298528.db2.gz GVUAHPXWOQXNKR-RRFJBIMHSA-N 1 3 351.491 2.156 20 0 FEADHO CCC[C@@H](C)[C@@H](CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568223247 675359934 /nfs/dbraw/zinc/35/99/34/675359934.db2.gz LLCGAVBOJJBPMM-VQIMIIECSA-N 1 3 353.551 2.096 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3cccnc3Cl)CC2)CC1 ZINC000824820033 675623178 /nfs/dbraw/zinc/62/31/78/675623178.db2.gz YQZJMFQCOMOOMH-UHFFFAOYSA-N 1 3 364.921 2.342 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc(Cl)n1 ZINC000825990254 675676923 /nfs/dbraw/zinc/67/69/23/675676923.db2.gz NUPRPPRHWZOIOK-INIZCTEOSA-N 1 3 359.861 2.177 20 0 FEADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H](N)CC(F)F)cc2F)CC1 ZINC000828608319 675833504 /nfs/dbraw/zinc/83/35/04/675833504.db2.gz DOYHSCADUDLSPQ-CQSZACIVSA-N 1 3 358.408 2.277 20 0 FEADHO CN(C)CC[N@H+](C)CCCNCc1c(Cl)cccc1N1CCOCC1 ZINC000623087643 676520123 /nfs/dbraw/zinc/52/01/23/676520123.db2.gz AOHYYBKWIXPHEZ-UHFFFAOYSA-N 1 3 368.953 2.150 20 0 FEADHO CN(C)CC[N@@H+](C)CCCNCc1c(Cl)cccc1N1CCOCC1 ZINC000623087643 676520124 /nfs/dbraw/zinc/52/01/24/676520124.db2.gz AOHYYBKWIXPHEZ-UHFFFAOYSA-N 1 3 368.953 2.150 20 0 FEADHO C[NH+]1CCC(O)(CNCc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000623428615 676534829 /nfs/dbraw/zinc/53/48/29/676534829.db2.gz RNYSIYQAMNZQJS-UHFFFAOYSA-N 1 3 350.356 2.313 20 0 FEADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@@H](O)CC3(O)CCC3)C2)s1 ZINC000625402121 676645706 /nfs/dbraw/zinc/64/57/06/676645706.db2.gz FWXUCADOCDVKLW-IRXDYDNUSA-N 1 3 352.544 2.476 20 0 FEADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@@H](O)CC3(O)CCC3)C2)s1 ZINC000625402121 676645707 /nfs/dbraw/zinc/64/57/07/676645707.db2.gz FWXUCADOCDVKLW-IRXDYDNUSA-N 1 3 352.544 2.476 20 0 FEADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000627045160 676736439 /nfs/dbraw/zinc/73/64/39/676736439.db2.gz JMIHGDSZZIPMHV-BBWFWOEESA-N 1 3 350.532 2.451 20 0 FEADHO C[C@@H]1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C[NH2+]1 ZINC000627195571 676743349 /nfs/dbraw/zinc/74/33/49/676743349.db2.gz MFUVLMBKCIFGFD-CJNGLKHVSA-N 1 3 354.445 2.179 20 0 FEADHO CN(C)c1c(CN(C)CCN(C)C2CC[NH+](C)CC2)ccc(F)c1F ZINC000628278036 676796827 /nfs/dbraw/zinc/79/68/27/676796827.db2.gz VTPFNKDWBLWEEJ-UHFFFAOYSA-N 1 3 354.489 2.489 20 0 FEADHO O[C@H](C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)CN1CCCC1 ZINC000629559327 676859179 /nfs/dbraw/zinc/85/91/79/676859179.db2.gz LDCMBZINHTVRIW-DOTOQJQBSA-N 1 3 368.319 2.074 20 0 FEADHO CSc1nnc(CCCNC[C@@H](O)C[NH+]2CCCC2)n1C1CCCC1 ZINC000629554485 676859218 /nfs/dbraw/zinc/85/92/18/676859218.db2.gz IERPVRFTRPHFRI-MRXNPFEDSA-N 1 3 367.563 2.094 20 0 FEADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CC1 ZINC000631744314 676954997 /nfs/dbraw/zinc/95/49/97/676954997.db2.gz RMFYWOXBSHJUBY-IAGOWNOFSA-N 1 3 357.564 2.232 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])Cc3ccccc32)cc1 ZINC000631998034 676969781 /nfs/dbraw/zinc/96/97/81/676969781.db2.gz PJDPEGIUGFCWEQ-INIZCTEOSA-N 1 3 359.495 2.075 20 0 FEADHO Cc1noc(Cl)c1CCC(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000634194598 677072751 /nfs/dbraw/zinc/07/27/51/677072751.db2.gz KSMATXBGPFVOBJ-UHFFFAOYSA-N 1 3 363.849 2.355 20 0 FEADHO O[C@@]1(CNCCOCC(F)(F)C(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634713563 677080417 /nfs/dbraw/zinc/08/04/17/677080417.db2.gz XXLJLTIRAXHEGD-MRXNPFEDSA-N 1 3 364.383 2.130 20 0 FEADHO O[C@@]1(CNCCOCC(F)(F)C(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713563 677080418 /nfs/dbraw/zinc/08/04/18/677080418.db2.gz XXLJLTIRAXHEGD-MRXNPFEDSA-N 1 3 364.383 2.130 20 0 FEADHO CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635896358 677109625 /nfs/dbraw/zinc/10/96/25/677109625.db2.gz SUUUGQBSKNSURO-SJLPKXTDSA-N 1 3 353.551 2.048 20 0 FEADHO CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635896358 677109626 /nfs/dbraw/zinc/10/96/26/677109626.db2.gz SUUUGQBSKNSURO-SJLPKXTDSA-N 1 3 353.551 2.048 20 0 FEADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2[nH]c(=O)oc2c1 ZINC000643530611 677227453 /nfs/dbraw/zinc/22/74/53/677227453.db2.gz YVQZCYUUXMPAAP-QMTHXVAHSA-N 1 3 358.364 2.020 20 0 FEADHO CC[N@H+](CCCNC(=O)N[C@H]1CCN(CCOC)C1)C1CCCCC1 ZINC000650895949 677394913 /nfs/dbraw/zinc/39/49/13/677394913.db2.gz LLQACNBILNJOPO-KRWDZBQOSA-N 1 3 354.539 2.051 20 0 FEADHO CC[N@@H+](CCCNC(=O)N[C@H]1CCN(CCOC)C1)C1CCCCC1 ZINC000650895949 677394915 /nfs/dbraw/zinc/39/49/15/677394915.db2.gz LLQACNBILNJOPO-KRWDZBQOSA-N 1 3 354.539 2.051 20 0 FEADHO CCO[C@@H]1CN(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)C[C@H]1C[NH3+] ZINC000652127028 677472256 /nfs/dbraw/zinc/47/22/56/677472256.db2.gz DOLZDYNHVFTFAM-IXDOHACOSA-N 1 3 368.547 2.136 20 0 FEADHO O=C(NCCC1CC[NH2+]CC1)NCC1(N2CCSCC2)CCCC1 ZINC000652131767 677472511 /nfs/dbraw/zinc/47/25/11/677472511.db2.gz MANHTWKNZSZTCX-UHFFFAOYSA-N 1 3 354.564 2.037 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCCC1(C[NH3+])CC1 ZINC000652242474 677476862 /nfs/dbraw/zinc/47/68/62/677476862.db2.gz WDBUIYULHXJQCS-UHFFFAOYSA-N 1 3 354.445 2.167 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345842 677480423 /nfs/dbraw/zinc/48/04/23/677480423.db2.gz NKQCWTXLRXNKNG-YLXRRXKZSA-N 1 3 351.535 2.288 20 0 FEADHO O=C(Nc1cccc2c1CC[NH2+]C2)C(C[C@H]1COCCO1)C(F)(F)F ZINC000659297706 678163325 /nfs/dbraw/zinc/16/33/25/678163325.db2.gz YCFXZIFRXRKYTJ-GXTWGEPZSA-N 1 3 358.360 2.255 20 0 FEADHO CN(CC(C)(C)[NH3+])C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000659489719 678183471 /nfs/dbraw/zinc/18/34/71/678183471.db2.gz JVCBBRFLINOWLO-UHFFFAOYSA-N 1 3 350.429 2.170 20 0 FEADHO CCC[NH+](CCC)CCCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660623700 678364884 /nfs/dbraw/zinc/36/48/84/678364884.db2.gz RZLDLGWUSGLEMS-SFHVURJKSA-N 1 3 354.539 2.051 20 0 FEADHO CCC[NH+](CCC)CCCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660623699 678365168 /nfs/dbraw/zinc/36/51/68/678365168.db2.gz RZLDLGWUSGLEMS-GOSISDBHSA-N 1 3 354.539 2.051 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662681445 678650307 /nfs/dbraw/zinc/65/03/07/678650307.db2.gz DWOCSVUYJZIXOC-QGZVFWFLSA-N 1 3 355.404 2.093 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000663735805 678782762 /nfs/dbraw/zinc/78/27/62/678782762.db2.gz TXJIPLRQQFQYSR-VYDXJSESSA-N 1 3 350.507 2.474 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000663735805 678782765 /nfs/dbraw/zinc/78/27/65/678782765.db2.gz TXJIPLRQQFQYSR-VYDXJSESSA-N 1 3 350.507 2.474 20 0 FEADHO CCCO[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665757254 678981674 /nfs/dbraw/zinc/98/16/74/678981674.db2.gz DEFYNYSESJELRC-ZWKOTPCHSA-N 1 3 356.555 2.249 20 0 FEADHO CCCO[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665757254 678981676 /nfs/dbraw/zinc/98/16/76/678981676.db2.gz DEFYNYSESJELRC-ZWKOTPCHSA-N 1 3 356.555 2.249 20 0 FEADHO CCO[C@H]1C[C@H](N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000665759689 678981871 /nfs/dbraw/zinc/98/18/71/678981871.db2.gz MNWHLLQSJKRGCS-ULQDDVLXSA-N 1 3 356.555 2.103 20 0 FEADHO CCO[C@H]1C[C@H](N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000665759689 678981874 /nfs/dbraw/zinc/98/18/74/678981874.db2.gz MNWHLLQSJKRGCS-ULQDDVLXSA-N 1 3 356.555 2.103 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000665759974 678982193 /nfs/dbraw/zinc/98/21/93/678982193.db2.gz VLYPAEZHKHXVTP-HOTGVXAUSA-N 1 3 368.547 2.103 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000665759974 678982195 /nfs/dbraw/zinc/98/21/95/678982195.db2.gz VLYPAEZHKHXVTP-HOTGVXAUSA-N 1 3 368.547 2.103 20 0 FEADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000668661182 679192056 /nfs/dbraw/zinc/19/20/56/679192056.db2.gz UYZJUCDFXJVFEF-JSGCOSHPSA-N 1 3 358.458 2.181 20 0 FEADHO [NH3+]C[C@@H]1CCCCN1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000669573945 679243407 /nfs/dbraw/zinc/24/34/07/679243407.db2.gz PYUWVWMAYJKWID-SLTAFYQDSA-N 1 3 362.440 2.315 20 0 FEADHO CSc1ccc([C@H](CNC(=S)NCCC[NH+](C)C)N(C)C)cc1 ZINC000840766072 680841540 /nfs/dbraw/zinc/84/15/40/680841540.db2.gz ICKPOYQHRDLZQO-INIZCTEOSA-N 1 3 354.589 2.427 20 0 FEADHO Cc1ncsc1CN1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990766416 680072816 /nfs/dbraw/zinc/07/28/16/680072816.db2.gz VDISEHJIMZOJOJ-RRIFGTCXSA-N 1 3 362.543 2.405 20 0 FEADHO Cc1ncsc1CN1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990766416 680072821 /nfs/dbraw/zinc/07/28/21/680072821.db2.gz VDISEHJIMZOJOJ-RRIFGTCXSA-N 1 3 362.543 2.405 20 0 FEADHO CN(C[C@H](O)C[NH+]1CCCC1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000749800326 680075978 /nfs/dbraw/zinc/07/59/78/680075978.db2.gz HRWMMJQFAXYRPF-JCYILVPMSA-N 1 3 355.523 2.211 20 0 FEADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)s1 ZINC000995825613 680304586 /nfs/dbraw/zinc/30/45/86/680304586.db2.gz OMKRCXRKTBBOQS-DAXOMENPSA-N 1 3 350.532 2.118 20 0 FEADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)s1 ZINC000995825613 680304588 /nfs/dbraw/zinc/30/45/88/680304588.db2.gz OMKRCXRKTBBOQS-DAXOMENPSA-N 1 3 350.532 2.118 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3cccc(F)c3F)C2)CC[N@@H+]1C ZINC000983705428 680322648 /nfs/dbraw/zinc/32/26/48/680322648.db2.gz UEMZQLWFLUJDQT-RRCSTGOVSA-N 1 3 351.441 2.289 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](CNCc3cccc(F)c3F)C2)CC[N@H+]1C ZINC000983705428 680322654 /nfs/dbraw/zinc/32/26/54/680322654.db2.gz UEMZQLWFLUJDQT-RRCSTGOVSA-N 1 3 351.441 2.289 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2CCc2scnc2C)CC[N@@H+]1C ZINC001027892609 680362726 /nfs/dbraw/zinc/36/27/26/680362726.db2.gz ANVRYYUGVHMOAV-YESZJQIVSA-N 1 3 364.559 2.305 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2CCc2scnc2C)CC[N@H+]1C ZINC001027892609 680362731 /nfs/dbraw/zinc/36/27/31/680362731.db2.gz ANVRYYUGVHMOAV-YESZJQIVSA-N 1 3 364.559 2.305 20 0 FEADHO Cc1nsc(C)c1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999190696 680398234 /nfs/dbraw/zinc/39/82/34/680398234.db2.gz SNFIRRBSPHPVMG-FVQBIDKESA-N 1 3 350.532 2.181 20 0 FEADHO Cc1nsc(C)c1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999190696 680398236 /nfs/dbraw/zinc/39/82/36/680398236.db2.gz SNFIRRBSPHPVMG-FVQBIDKESA-N 1 3 350.532 2.181 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2cccc(Cl)n2)CC[N@@H+]1C ZINC001045043218 680619636 /nfs/dbraw/zinc/61/96/36/680619636.db2.gz CZVQLLXRLMTXFJ-VNQPRFMTSA-N 1 3 350.894 2.156 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2cccc(Cl)n2)CC[N@H+]1C ZINC001045043218 680619638 /nfs/dbraw/zinc/61/96/38/680619638.db2.gz CZVQLLXRLMTXFJ-VNQPRFMTSA-N 1 3 350.894 2.156 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NOCCC(F)(F)F)CC2)CC1 ZINC000847770362 681430577 /nfs/dbraw/zinc/43/05/77/681430577.db2.gz JYWGTYUYLUMWBI-UHFFFAOYSA-N 1 3 351.413 2.183 20 0 FEADHO C[C@@](O)(CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000848535457 681573615 /nfs/dbraw/zinc/57/36/15/681573615.db2.gz ZXTWKXAQUVMXLA-QFBILLFUSA-N 1 3 354.441 2.405 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000849077776 681649770 /nfs/dbraw/zinc/64/97/70/681649770.db2.gz MVBSCGGERFADQQ-CABCVRRESA-N 1 3 358.408 2.337 20 0 FEADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000849095872 681652698 /nfs/dbraw/zinc/65/26/98/681652698.db2.gz QKUJYIPPGFSLGM-CABCVRRESA-N 1 3 355.527 2.230 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CN(CCC(C)(C)C)CCO3)CC[N@@H+]1C ZINC000972389835 682412648 /nfs/dbraw/zinc/41/26/48/682412648.db2.gz YWUDZTODBZVUNB-HLIPFELVSA-N 1 3 351.535 2.066 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(C2)CN(CCC(C)(C)C)CCO3)CC[N@H+]1C ZINC000972389835 682412651 /nfs/dbraw/zinc/41/26/51/682412651.db2.gz YWUDZTODBZVUNB-HLIPFELVSA-N 1 3 351.535 2.066 20 0 FEADHO COc1ncc([C@H](C)NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Cl ZINC000925852663 683043626 /nfs/dbraw/zinc/04/36/26/683043626.db2.gz WPRFRJDSDNSYQH-WCQYABFASA-N 1 3 353.850 2.080 20 0 FEADHO COc1ncc([C@H](C)NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1Cl ZINC000925852658 683043677 /nfs/dbraw/zinc/04/36/77/683043677.db2.gz WPRFRJDSDNSYQH-AAEUAGOBSA-N 1 3 353.850 2.080 20 0 FEADHO CCCCCCN(C)CC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926175611 683089004 /nfs/dbraw/zinc/08/90/04/683089004.db2.gz ZGUCTDVFVWHCDJ-JYBIWHBTSA-N 1 3 353.551 2.094 20 0 FEADHO CCCCCCN(C)CC(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926175611 683089010 /nfs/dbraw/zinc/08/90/10/683089010.db2.gz ZGUCTDVFVWHCDJ-JYBIWHBTSA-N 1 3 353.551 2.094 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000798465913 683353600 /nfs/dbraw/zinc/35/36/00/683353600.db2.gz GMTGOIBYDHVOJA-UHFFFAOYSA-N 1 3 365.543 2.245 20 0 FEADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCc2ccns2)CC1 ZINC000929280827 683573201 /nfs/dbraw/zinc/57/32/01/683573201.db2.gz XYHLMZFQQAXPQE-UHFFFAOYSA-N 1 3 352.548 2.246 20 0 FEADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000930113342 683681088 /nfs/dbraw/zinc/68/10/88/683681088.db2.gz KNTKLFXAMVQIIW-CVEARBPZSA-N 1 3 351.457 2.444 20 0 FEADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000930113342 683681092 /nfs/dbraw/zinc/68/10/92/683681092.db2.gz KNTKLFXAMVQIIW-CVEARBPZSA-N 1 3 351.457 2.444 20 0 FEADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(C(F)(F)F)n[nH]3)C2)[C@@H]1C(C)C ZINC000922393070 683713362 /nfs/dbraw/zinc/71/33/62/683713362.db2.gz JIPLASQDVWSNKI-LUYZLQTOSA-N 1 3 360.424 2.388 20 0 FEADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cc(C(F)(F)F)n[nH]3)C2)[C@@H]1C(C)C ZINC000922393070 683713365 /nfs/dbraw/zinc/71/33/65/683713365.db2.gz JIPLASQDVWSNKI-LUYZLQTOSA-N 1 3 360.424 2.388 20 0 FEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(C(F)(F)F)n[nH]3)C2)[C@H]1C(C)C ZINC000922393073 683713465 /nfs/dbraw/zinc/71/34/65/683713465.db2.gz JIPLASQDVWSNKI-XOUADPBQSA-N 1 3 360.424 2.388 20 0 FEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cc(C(F)(F)F)n[nH]3)C2)[C@H]1C(C)C ZINC000922393073 683713468 /nfs/dbraw/zinc/71/34/68/683713468.db2.gz JIPLASQDVWSNKI-XOUADPBQSA-N 1 3 360.424 2.388 20 0 FEADHO CC(C)[C@H]1C[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000931217104 684242353 /nfs/dbraw/zinc/24/23/53/684242353.db2.gz LYDJSDZAIUDLSH-QFBILLFUSA-N 1 3 351.535 2.112 20 0 FEADHO CN(C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000923305897 684259536 /nfs/dbraw/zinc/25/95/36/684259536.db2.gz LEGGGDXFHLBMFM-KNXALSJPSA-N 1 3 357.281 2.262 20 0 FEADHO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452844 684283335 /nfs/dbraw/zinc/28/33/35/684283335.db2.gz ILAPRFNNLFJUOC-RHSMWYFYSA-N 1 3 365.905 2.175 20 0 FEADHO [NH3+]CC[C@@H]1CCN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000923480620 684288018 /nfs/dbraw/zinc/28/80/18/684288018.db2.gz ARVUTHARERKEBZ-CJNGLKHVSA-N 1 3 353.413 2.454 20 0 FEADHO C[NH+](C)CC1(O)CCN(CCOc2cccc(Br)c2)CC1 ZINC000931486695 684290788 /nfs/dbraw/zinc/29/07/88/684290788.db2.gz HYHMFOUSTVXHQC-UHFFFAOYSA-N 1 3 357.292 2.216 20 0 FEADHO C[C@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccc(OC(F)(F)F)cc1 ZINC000923492474 684291515 /nfs/dbraw/zinc/29/15/15/684291515.db2.gz PEOYTPQMYFCKSP-QWHCGFSZSA-N 1 3 359.392 2.433 20 0 FEADHO CC(C)CN(CC1CCN(C)CC1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000867863973 684413626 /nfs/dbraw/zinc/41/36/26/684413626.db2.gz JIERMJIDDGJFIW-UHFFFAOYSA-N 1 3 359.580 2.102 20 0 FEADHO C[C@@H]1[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)CCN1C ZINC000925326260 684550010 /nfs/dbraw/zinc/55/00/10/684550010.db2.gz QBBXMYYXQXRVIQ-CXAGYDPISA-N 1 3 354.445 2.131 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@H]2C[C@@H]([NH3+])C23CCC3)s1 ZINC000925489234 684565756 /nfs/dbraw/zinc/56/57/56/684565756.db2.gz JLABBAKIZKDGFH-CABCVRRESA-N 1 3 371.572 2.181 20 0 FEADHO CC1(C)C[C@@H](NCc2ccc(N3CCCS3(=O)=O)cc2)C[C@@H]([NH3+])C1 ZINC000925639892 684575763 /nfs/dbraw/zinc/57/57/63/684575763.db2.gz OEDKPRSLBBAXNY-CVEARBPZSA-N 1 3 351.516 2.222 20 0 FEADHO CNS(=O)(=O)c1ccc(CCN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000873261355 685102314 /nfs/dbraw/zinc/10/23/14/685102314.db2.gz CYQROANJLSHZNP-RDJZCZTQSA-N 1 3 353.532 2.038 20 0 FEADHO CCOC(=O)C1([C@H](C)NCc2ccc(Br)cn2)CC[NH2+]CC1 ZINC000873262996 685102507 /nfs/dbraw/zinc/10/25/07/685102507.db2.gz RKQBYMJTVVQMPD-LBPRGKRZSA-N 1 3 370.291 2.255 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H]3CCC(C)(C)CO3)CC2)CC1 ZINC000878553857 686606375 /nfs/dbraw/zinc/60/63/75/686606375.db2.gz UFIJZBNVZVVQCV-SFHVURJKSA-N 1 3 351.535 2.257 20 0 FEADHO C(N1CC[C@@H]2CSC[C@@H]2C1)C1(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)COC1 ZINC000879562852 686857537 /nfs/dbraw/zinc/85/75/37/686857537.db2.gz MZKJBTZHNLGANU-BDXSIMOUSA-N 1 3 368.612 2.373 20 0 FEADHO C(N1CC[C@@H]2CSC[C@@H]2C1)C1(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)COC1 ZINC000879562852 686857542 /nfs/dbraw/zinc/85/75/42/686857542.db2.gz MZKJBTZHNLGANU-BDXSIMOUSA-N 1 3 368.612 2.373 20 0 FEADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891322435 689050252 /nfs/dbraw/zinc/05/02/52/689050252.db2.gz ORYHSIYFSBYXLH-ZIAGYGMSSA-N 1 3 372.485 2.429 20 0 FEADHO C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)N(C)Cc1ccccc1 ZINC000891537400 689074945 /nfs/dbraw/zinc/07/49/45/689074945.db2.gz BSWUBHJHOQCUIB-ZBFHGGJFSA-N 1 3 354.445 2.051 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(C(=O)OC)c(C(C)C)[nH]2)CC1 ZINC000894175025 689480928 /nfs/dbraw/zinc/48/09/28/689480928.db2.gz BNWZTSOZJQAUED-HNNXBMFYSA-N 1 3 350.507 2.040 20 0 FEADHO CC(C)(C)OC(=O)N1CC[C@](O)(CNC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000897692437 690064178 /nfs/dbraw/zinc/06/41/78/690064178.db2.gz SAYVCZASTAEWDJ-IBGZPJMESA-N 1 3 355.523 2.211 20 0 FEADHO Brc1ccc2c(c1)[C@H](NC[C@@H]1CCC3(C[NH2+]C3)O1)CCO2 ZINC000903565998 690925373 /nfs/dbraw/zinc/92/53/73/690925373.db2.gz XAVOTRIBLNENST-GXTWGEPZSA-N 1 3 353.260 2.383 20 0 FEADHO COC(=O)COc1c(C)cc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1C ZINC000903955763 690989192 /nfs/dbraw/zinc/98/91/92/690989192.db2.gz BDOVFZFUNBKDDA-OAHLLOKOSA-N 1 3 356.413 2.190 20 0 FEADHO COc1ccc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c(OC)c1OC ZINC000904389507 691024173 /nfs/dbraw/zinc/02/41/73/691024173.db2.gz LPAPFXTWNAKFJG-HNNXBMFYSA-N 1 3 350.459 2.042 20 0 FEADHO Cc1nn(C)c2nc(Cl)c(CN3CCC4(CO[C@H](C[NH3+])C4)CC3)cc12 ZINC000904392624 691024473 /nfs/dbraw/zinc/02/44/73/691024473.db2.gz VSJGVOLWTJDIBH-AWEZNQCLSA-N 1 3 363.893 2.260 20 0 FEADHO [NH3+]CC[C@H]1CCN(Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000904406441 691025711 /nfs/dbraw/zinc/02/57/11/691025711.db2.gz VEMNUTBVGCACFE-INIZCTEOSA-N 1 3 367.921 2.222 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NN3[C@@H](C)CCC[C@@H]3C)CC2)CC1 ZINC000907988282 691593835 /nfs/dbraw/zinc/59/38/35/691593835.db2.gz QBKVDILYZIFECI-IRXDYDNUSA-N 1 3 350.551 2.477 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCCN2CCCC[C@@H]2C)c1 ZINC000041666460 540029636 /nfs/dbraw/zinc/02/96/36/540029636.db2.gz MSHBZAFIMFVQPO-KRWDZBQOSA-N 1 3 374.529 2.458 20 0 FEADHO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000041717522 540031150 /nfs/dbraw/zinc/03/11/50/540031150.db2.gz WESPSOXHENKVSN-UHFFFAOYSA-N 1 3 374.529 2.458 20 0 FEADHO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000041717522 540031154 /nfs/dbraw/zinc/03/11/54/540031154.db2.gz WESPSOXHENKVSN-UHFFFAOYSA-N 1 3 374.529 2.458 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@H]2CCCN(C)C2)cc1 ZINC000057821395 540817586 /nfs/dbraw/zinc/81/75/86/540817586.db2.gz ZBUQRBYIKBBMPY-SFHVURJKSA-N 1 3 362.518 2.301 20 0 FEADHO COCC[N@H+](C)CCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000068202173 541562821 /nfs/dbraw/zinc/56/28/21/541562821.db2.gz JEHJLKULAWNQCQ-GOSISDBHSA-N 1 3 365.493 2.122 20 0 FEADHO COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000068202173 541562826 /nfs/dbraw/zinc/56/28/26/541562826.db2.gz JEHJLKULAWNQCQ-GOSISDBHSA-N 1 3 365.493 2.122 20 0 FEADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000072860386 541883707 /nfs/dbraw/zinc/88/37/07/541883707.db2.gz WGHPBDHTDFKXPM-GOSISDBHSA-N 1 3 374.529 2.125 20 0 FEADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000072860386 541883709 /nfs/dbraw/zinc/88/37/09/541883709.db2.gz WGHPBDHTDFKXPM-GOSISDBHSA-N 1 3 374.529 2.125 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000073659906 541982936 /nfs/dbraw/zinc/98/29/36/541982936.db2.gz YYKFZUYUYYZGAA-SFHVURJKSA-N 1 3 368.566 2.251 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)C2CC[NH+](C)CC2)cc1)[C@@H]1CCCN(C)C1 ZINC000073976101 542021053 /nfs/dbraw/zinc/02/10/53/542021053.db2.gz PGXPKOFKVOHBBN-LJQANCHMSA-N 1 3 372.513 2.133 20 0 FEADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000074084676 542034226 /nfs/dbraw/zinc/03/42/26/542034226.db2.gz AJTKXBLLQBAQQR-PMACEKPBSA-N 1 3 358.530 2.335 20 0 FEADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000074084676 542034230 /nfs/dbraw/zinc/03/42/30/542034230.db2.gz AJTKXBLLQBAQQR-PMACEKPBSA-N 1 3 358.530 2.335 20 0 FEADHO COCCCN(C)CCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000074616638 542104356 /nfs/dbraw/zinc/10/43/56/542104356.db2.gz SWQANESEVRLKLQ-UHFFFAOYSA-N 1 3 368.566 2.252 20 0 FEADHO COCCCN(C)CCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000074616638 542104359 /nfs/dbraw/zinc/10/43/59/542104359.db2.gz SWQANESEVRLKLQ-UHFFFAOYSA-N 1 3 368.566 2.252 20 0 FEADHO Cc1c(Br)cccc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000080061105 542561358 /nfs/dbraw/zinc/56/13/58/542561358.db2.gz TUHSWTZCKFHTCJ-UHFFFAOYSA-N 1 3 356.308 2.323 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NCC[N@H+](C)C(C)C)N2CCCC2)c1 ZINC000101975654 543052383 /nfs/dbraw/zinc/05/23/83/543052383.db2.gz QORYDHHJRYFWRI-LJQANCHMSA-N 1 3 362.518 2.472 20 0 FEADHO COc1cccc([C@@H](CNC(=O)NCC[N@@H+](C)C(C)C)N2CCCC2)c1 ZINC000101975654 543052384 /nfs/dbraw/zinc/05/23/84/543052384.db2.gz QORYDHHJRYFWRI-LJQANCHMSA-N 1 3 362.518 2.472 20 0 FEADHO CCC(CC)N(CCOC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000102905281 543085017 /nfs/dbraw/zinc/08/50/17/543085017.db2.gz ZFPPWTRFLRYTKJ-UHFFFAOYSA-N 1 3 368.566 2.392 20 0 FEADHO CCN1CCN([C@@H]2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C2)CC1 ZINC000106807097 543249011 /nfs/dbraw/zinc/24/90/11/543249011.db2.gz KHNKTKXWKVXOCH-OAQYLSRUSA-N 1 3 370.541 2.134 20 0 FEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000107392022 543269941 /nfs/dbraw/zinc/26/99/41/543269941.db2.gz QJLVUMVNIUEXLE-GOSISDBHSA-N 1 3 361.534 2.275 20 0 FEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000107392022 543269944 /nfs/dbraw/zinc/26/99/44/543269944.db2.gz QJLVUMVNIUEXLE-GOSISDBHSA-N 1 3 361.534 2.275 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107874241 543280241 /nfs/dbraw/zinc/28/02/41/543280241.db2.gz BZTPUGJQXIUSJD-LJQANCHMSA-N 1 3 372.513 2.164 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000111464740 543403116 /nfs/dbraw/zinc/40/31/16/543403116.db2.gz OBLGRSVVVGQMID-GOSISDBHSA-N 1 3 362.518 2.301 20 0 FEADHO CCN1CCCC[C@H]1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000111464812 543403142 /nfs/dbraw/zinc/40/31/42/543403142.db2.gz GNODQAUJDZINHS-SFHVURJKSA-N 1 3 362.518 2.301 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc(-c2ccsc2)s1 ZINC000112293330 543439450 /nfs/dbraw/zinc/43/94/50/543439450.db2.gz INQVGWXDDNBCFX-UHFFFAOYSA-N 1 3 352.529 2.437 20 0 FEADHO C[C@H]1CCCC[C@@H]1OCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000112886936 543466197 /nfs/dbraw/zinc/46/61/97/543466197.db2.gz MLYJLBAORYPQFL-LPHOPBHVSA-N 1 3 351.535 2.257 20 0 FEADHO CCC(=O)Nc1ccc(C)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000119879413 543673572 /nfs/dbraw/zinc/67/35/72/543673572.db2.gz JARUQNTWUTXKEU-UHFFFAOYSA-N 1 3 363.506 2.301 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@]3(C)CCCS3)CC2)CC1 ZINC000122721113 543720192 /nfs/dbraw/zinc/72/01/92/543720192.db2.gz ZSAGPGJHVBVZRV-SFHVURJKSA-N 1 3 354.564 2.130 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000128476715 544055050 /nfs/dbraw/zinc/05/50/50/544055050.db2.gz HLVKFCVNODDHKK-PXNSSMCTSA-N 1 3 358.530 2.490 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000128984774 544084928 /nfs/dbraw/zinc/08/49/28/544084928.db2.gz MVFJOXIYCUDBAK-MRXNPFEDSA-N 1 3 370.497 2.429 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000128984774 544084929 /nfs/dbraw/zinc/08/49/29/544084929.db2.gz MVFJOXIYCUDBAK-MRXNPFEDSA-N 1 3 370.497 2.429 20 0 FEADHO C[NH+](C)C[C@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000129981394 544134400 /nfs/dbraw/zinc/13/44/00/544134400.db2.gz ZCPSIHCSYJXGPG-QGZVFWFLSA-N 1 3 368.591 2.331 20 0 FEADHO CN(CCNC(=O)C1CC[NH+](Cc2ccn(C)c2)CC1)Cc1ccccc1 ZINC000130904623 544170134 /nfs/dbraw/zinc/17/01/34/544170134.db2.gz PQPMCSCDXSYCSF-UHFFFAOYSA-N 1 3 368.525 2.485 20 0 FEADHO CN(c1ccccc1C[NH2+]C[C@]1(CCO)CCOC1)C1CCN(C)CC1 ZINC000134433033 544307882 /nfs/dbraw/zinc/30/78/82/544307882.db2.gz QRCCFPAUNYDPBL-NRFANRHFSA-N 1 3 361.530 2.096 20 0 FEADHO CN1CCC[C@@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000142188156 544415877 /nfs/dbraw/zinc/41/58/77/544415877.db2.gz HIRTTYHDNDJRSL-MRXNPFEDSA-N 1 3 350.532 2.354 20 0 FEADHO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000151113971 544507303 /nfs/dbraw/zinc/50/73/03/544507303.db2.gz CQZNPSALOXDAEN-LJQANCHMSA-N 1 3 361.486 2.209 20 0 FEADHO COCCC[N@H+](C)CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000152354231 544642323 /nfs/dbraw/zinc/64/23/23/544642323.db2.gz DFDSIWNMNMFQDU-GOSISDBHSA-N 1 3 365.493 2.122 20 0 FEADHO COCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000152354231 544642329 /nfs/dbraw/zinc/64/23/29/544642329.db2.gz DFDSIWNMNMFQDU-GOSISDBHSA-N 1 3 365.493 2.122 20 0 FEADHO CN(CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)Cc1ccccc1 ZINC000552624358 674217224 /nfs/dbraw/zinc/21/72/24/674217224.db2.gz GEYMRGKNHMPTPP-LJQANCHMSA-N 1 3 361.555 2.452 20 0 FEADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1[nH]nc2c1CNCC2 ZINC000188749465 328108433 /nfs/dbraw/zinc/10/84/33/328108433.db2.gz ILQWMNLFWJZGSK-UHFFFAOYSA-N 1 3 367.497 2.361 20 0 FEADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188749822 328108718 /nfs/dbraw/zinc/10/87/18/328108718.db2.gz PHGKOBFAAJKQJK-UHFFFAOYSA-N 1 3 371.510 2.165 20 0 FEADHO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000189816877 328169820 /nfs/dbraw/zinc/16/98/20/328169820.db2.gz WUQGBTLYYUDUCO-UHFFFAOYSA-N 1 3 374.529 2.411 20 0 FEADHO CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000191664380 328276368 /nfs/dbraw/zinc/27/63/68/328276368.db2.gz VCMBDTCGXDETAS-FPOVZHCZSA-N 1 3 361.530 2.279 20 0 FEADHO CC(C)C[C@]1(CO)CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000191664380 328276369 /nfs/dbraw/zinc/27/63/69/328276369.db2.gz VCMBDTCGXDETAS-FPOVZHCZSA-N 1 3 361.530 2.279 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H](C)C[NH+]2CCCC2)o1 ZINC000079633757 325100427 /nfs/dbraw/zinc/10/04/27/325100427.db2.gz IDJKUFCGWDEAMG-MRXNPFEDSA-N 1 3 350.507 2.393 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000081444534 325176170 /nfs/dbraw/zinc/17/61/70/325176170.db2.gz XZKXIIHSPOVVPX-PXNSSMCTSA-N 1 3 358.530 2.241 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000081444534 325176172 /nfs/dbraw/zinc/17/61/72/325176172.db2.gz XZKXIIHSPOVVPX-PXNSSMCTSA-N 1 3 358.530 2.241 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000091233339 325382135 /nfs/dbraw/zinc/38/21/35/325382135.db2.gz FPAUEAOLPIPMRU-LJQANCHMSA-N 1 3 359.518 2.424 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000104533652 325540538 /nfs/dbraw/zinc/54/05/38/325540538.db2.gz JUDBUUKNLXPUII-UHFFFAOYSA-N 1 3 363.893 2.091 20 0 FEADHO CN(C)CCN(Cc1ccccn1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000107386711 325627103 /nfs/dbraw/zinc/62/71/03/325627103.db2.gz KFXLHVZDTCJMKA-UHFFFAOYSA-N 1 3 361.534 2.464 20 0 FEADHO C[C@@H]1SCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000118480363 326091871 /nfs/dbraw/zinc/09/18/71/326091871.db2.gz ZWBMEIXOCRURNT-GJZGRUSLSA-N 1 3 354.564 2.080 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000121651437 326354953 /nfs/dbraw/zinc/35/49/53/326354953.db2.gz XFRVWABISDYXNW-ZCNNSNEGSA-N 1 3 371.525 2.415 20 0 FEADHO COCC[N@H+](C)CCCC1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000122194989 326387418 /nfs/dbraw/zinc/38/74/18/326387418.db2.gz CKOUWCTUJBXIPX-SFHVURJKSA-N 1 3 353.551 2.458 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000122194989 326387419 /nfs/dbraw/zinc/38/74/19/326387419.db2.gz CKOUWCTUJBXIPX-SFHVURJKSA-N 1 3 353.551 2.458 20 0 FEADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000129326340 326538549 /nfs/dbraw/zinc/53/85/49/326538549.db2.gz YQZDWUNUPONHNI-JKSUJKDBSA-N 1 3 350.532 2.478 20 0 FEADHO Cc1c(NC(=O)N(CCN(C)C)CC[NH+](C)C)cnn1-c1ccccc1 ZINC000133085404 326602869 /nfs/dbraw/zinc/60/28/69/326602869.db2.gz VHDDQWCCCAQKHD-UHFFFAOYSA-N 1 3 358.490 2.138 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000155595116 326795136 /nfs/dbraw/zinc/79/51/36/326795136.db2.gz KGOMKSXMGXFHFG-CJNGLKHVSA-N 1 3 370.900 2.470 20 0 FEADHO C[C@H]1CN(CCCC[NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@H](C)O1 ZINC000162883186 327037203 /nfs/dbraw/zinc/03/72/03/327037203.db2.gz QQAROWJCGWILEH-IRXDYDNUSA-N 1 3 363.502 2.363 20 0 FEADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000167415640 327084896 /nfs/dbraw/zinc/08/48/96/327084896.db2.gz KGQYLZHJDMMWGO-JBACZVJFSA-N 1 3 371.525 2.180 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000168902553 327087644 /nfs/dbraw/zinc/08/76/44/327087644.db2.gz RSHHGOHRWYHZNY-IBGZPJMESA-N 1 3 365.493 2.019 20 0 FEADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc(F)c(F)c(F)c1 ZINC000168919197 327087887 /nfs/dbraw/zinc/08/78/87/327087887.db2.gz MAZJAKPYKYNLEI-CQSZACIVSA-N 1 3 359.436 2.145 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ccc(F)cc1 ZINC000171166098 327121738 /nfs/dbraw/zinc/12/17/38/327121738.db2.gz FLVVZQOEGCZGIH-LJQANCHMSA-N 1 3 364.509 2.426 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ccc(F)cc1 ZINC000171166098 327121740 /nfs/dbraw/zinc/12/17/40/327121740.db2.gz FLVVZQOEGCZGIH-LJQANCHMSA-N 1 3 364.509 2.426 20 0 FEADHO CC(C)[NH+]1CCC(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000172747546 327216603 /nfs/dbraw/zinc/21/66/03/327216603.db2.gz ZITDTPCIIJTXRJ-HDICACEKSA-N 1 3 365.562 2.455 20 0 FEADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173316914 327249250 /nfs/dbraw/zinc/24/92/50/327249250.db2.gz QYHYZEYUBCNSHE-CABCVRRESA-N 1 3 351.516 2.072 20 0 FEADHO CO[C@]1(C)C[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000174468793 327328657 /nfs/dbraw/zinc/32/86/57/327328657.db2.gz LVBCEEAQBLWDPJ-FXAWDEMLSA-N 1 3 366.550 2.048 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000175406111 327391096 /nfs/dbraw/zinc/39/10/96/327391096.db2.gz VPLYYGGEBFODHS-YQQQUEKLSA-N 1 3 374.529 2.442 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000175406111 327391097 /nfs/dbraw/zinc/39/10/97/327391097.db2.gz VPLYYGGEBFODHS-YQQQUEKLSA-N 1 3 374.529 2.442 20 0 FEADHO CC(C)N1CCC[C@@H](N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1=O ZINC000177701918 327539028 /nfs/dbraw/zinc/53/90/28/327539028.db2.gz CWQJBNFHRASCGN-ZHALLVOQSA-N 1 3 351.535 2.207 20 0 FEADHO COCC1(C(=O)NCC2CCN(Cc3cccs3)CC2)CC[NH2+]CC1 ZINC000262322208 328859058 /nfs/dbraw/zinc/85/90/58/328859058.db2.gz COPFKYVJWMVALE-UHFFFAOYSA-N 1 3 365.543 2.093 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CC[N@H+](C)C3)c(C)c2)CC1 ZINC000264337618 329011744 /nfs/dbraw/zinc/01/17/44/329011744.db2.gz VNILNXXOBPXNNL-QGZVFWFLSA-N 1 3 359.518 2.210 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CC[N@@H+](C)C3)c(C)c2)CC1 ZINC000264337618 329011745 /nfs/dbraw/zinc/01/17/45/329011745.db2.gz VNILNXXOBPXNNL-QGZVFWFLSA-N 1 3 359.518 2.210 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1)C(C)C ZINC000265203590 329101669 /nfs/dbraw/zinc/10/16/69/329101669.db2.gz DPQAUBPAOCSUNO-UHFFFAOYSA-N 1 3 360.546 2.236 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1)C(C)C ZINC000265203590 329101671 /nfs/dbraw/zinc/10/16/71/329101671.db2.gz DPQAUBPAOCSUNO-UHFFFAOYSA-N 1 3 360.546 2.236 20 0 FEADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267186649 329300515 /nfs/dbraw/zinc/30/05/15/329300515.db2.gz CPWGXNBRHSJJIZ-DENIHFKCSA-N 1 3 374.573 2.064 20 0 FEADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267365398 329319525 /nfs/dbraw/zinc/31/95/25/329319525.db2.gz FFJBVOXZUKJDMX-TZIWHRDSSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267365398 329319527 /nfs/dbraw/zinc/31/95/27/329319527.db2.gz FFJBVOXZUKJDMX-TZIWHRDSSA-N 1 3 372.557 2.041 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000268045647 329379948 /nfs/dbraw/zinc/37/99/48/329379948.db2.gz ZTXKEUCOUWJVSG-QFBILLFUSA-N 1 3 358.530 2.067 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000268045647 329379950 /nfs/dbraw/zinc/37/99/50/329379950.db2.gz ZTXKEUCOUWJVSG-QFBILLFUSA-N 1 3 358.530 2.067 20 0 FEADHO CC[C@]1(C(=O)Nc2ccc(NC(=O)NC3CCN(C)CC3)cc2)CCC[NH2+]1 ZINC000274542665 329959592 /nfs/dbraw/zinc/95/95/92/329959592.db2.gz CAGGZJBNPNHJNN-HXUWFJFHSA-N 1 3 373.501 2.373 20 0 FEADHO COCCOCCOCCC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000274701827 329972280 /nfs/dbraw/zinc/97/22/80/329972280.db2.gz YFEDZZBEKFHCFQ-GOSISDBHSA-N 1 3 368.518 2.347 20 0 FEADHO CCN1CCN(CCC(=O)NCc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000299678809 330197539 /nfs/dbraw/zinc/19/75/39/330197539.db2.gz QYJFINONANQECF-UHFFFAOYSA-N 1 3 360.546 2.172 20 0 FEADHO CN1CCC[C@H]2C[N@H+](CCCCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000158715393 545889026 /nfs/dbraw/zinc/88/90/26/545889026.db2.gz IXJOBKWFVNCHAM-LPHOPBHVSA-N 1 3 355.482 2.479 20 0 FEADHO CN1CCC[C@H]2C[N@@H+](CCCCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000158715393 545889030 /nfs/dbraw/zinc/88/90/30/545889030.db2.gz IXJOBKWFVNCHAM-LPHOPBHVSA-N 1 3 355.482 2.479 20 0 FEADHO C[N@@H+]1CCC[C@H]2CN(CCCCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000158715393 545889034 /nfs/dbraw/zinc/88/90/34/545889034.db2.gz IXJOBKWFVNCHAM-LPHOPBHVSA-N 1 3 355.482 2.479 20 0 FEADHO C[N@H+]1CCC[C@H]2CN(CCCCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000158715393 545889039 /nfs/dbraw/zinc/88/90/39/545889039.db2.gz IXJOBKWFVNCHAM-LPHOPBHVSA-N 1 3 355.482 2.479 20 0 FEADHO COc1cnccc1N1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000478437225 561166763 /nfs/dbraw/zinc/16/67/63/561166763.db2.gz HIKIHYGSDZEEBQ-KRWDZBQOSA-N 1 3 372.513 2.393 20 0 FEADHO COc1cnccc1N1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000478437225 561166764 /nfs/dbraw/zinc/16/67/64/561166764.db2.gz HIKIHYGSDZEEBQ-KRWDZBQOSA-N 1 3 372.513 2.393 20 0 FEADHO COc1cnccc1N1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000478462006 561167477 /nfs/dbraw/zinc/16/74/77/561167477.db2.gz MCMNZWDMADFWAS-IBGZPJMESA-N 1 3 360.502 2.249 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000478525431 561168874 /nfs/dbraw/zinc/16/88/74/561168874.db2.gz BOTPXCIBAPIYGD-INIZCTEOSA-N 1 3 350.507 2.109 20 0 FEADHO Brc1ccc(N2CCN(CCC3CC[NH2+]CC3)CC2)nc1 ZINC000479682736 561194890 /nfs/dbraw/zinc/19/48/90/561194890.db2.gz CKOVOYYREIELLS-UHFFFAOYSA-N 1 3 353.308 2.356 20 0 FEADHO CN(c1ccccc1C[NH2+][C@H]1CCC[C@H](C(N)=O)C1)C1CCN(C)CC1 ZINC000177585940 546649332 /nfs/dbraw/zinc/64/93/32/546649332.db2.gz NOMJSOULVSACCN-WMZOPIPTSA-N 1 3 358.530 2.351 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)N(C)C)cc1 ZINC000481300619 561230261 /nfs/dbraw/zinc/23/02/61/561230261.db2.gz ULIJRCOSFILLDK-IEBWSBKVSA-N 1 3 364.559 2.334 20 0 FEADHO CN(C)Cc1cccc(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000179363979 546939757 /nfs/dbraw/zinc/93/97/57/546939757.db2.gz XQKJWTDKBBNJMS-UHFFFAOYSA-N 1 3 371.485 2.405 20 0 FEADHO COC(=O)c1ccc(Cl)c(CNCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000482237863 561250880 /nfs/dbraw/zinc/25/08/80/561250880.db2.gz BKTUOAORJOLARA-INIZCTEOSA-N 1 3 354.878 2.453 20 0 FEADHO COC(=O)c1ccc(Cl)c(CNCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000482237863 561250881 /nfs/dbraw/zinc/25/08/81/561250881.db2.gz BKTUOAORJOLARA-INIZCTEOSA-N 1 3 354.878 2.453 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483174555 561269563 /nfs/dbraw/zinc/26/95/63/561269563.db2.gz RBMAHZFBDUJWMV-IEBWSBKVSA-N 1 3 351.535 2.210 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483174555 561269564 /nfs/dbraw/zinc/26/95/64/561269564.db2.gz RBMAHZFBDUJWMV-IEBWSBKVSA-N 1 3 351.535 2.210 20 0 FEADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccccc2Br)CC[N@@H+]1C ZINC000181362148 547299375 /nfs/dbraw/zinc/29/93/75/547299375.db2.gz CXFYHFJKKFYWEQ-RDBSUJKOSA-N 1 3 357.292 2.261 20 0 FEADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccccc2Br)CC[N@H+]1C ZINC000181362148 547299378 /nfs/dbraw/zinc/29/93/78/547299378.db2.gz CXFYHFJKKFYWEQ-RDBSUJKOSA-N 1 3 357.292 2.261 20 0 FEADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000484442579 561297955 /nfs/dbraw/zinc/29/79/55/561297955.db2.gz QDPGNBWLGYAGAS-RLLQIKCJSA-N 1 3 358.530 2.428 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000183544811 547677975 /nfs/dbraw/zinc/67/79/75/547677975.db2.gz GAPGVLSANFCRMJ-JQHSSLGASA-N 1 3 367.534 2.029 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000183544811 547677978 /nfs/dbraw/zinc/67/79/78/547677978.db2.gz GAPGVLSANFCRMJ-JQHSSLGASA-N 1 3 367.534 2.029 20 0 FEADHO CN(C)Cc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000183761133 547714914 /nfs/dbraw/zinc/71/49/14/547714914.db2.gz YDALGLJIIBEOOC-OAQYLSRUSA-N 1 3 367.493 2.245 20 0 FEADHO CN(C)Cc1cccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000183761133 547714916 /nfs/dbraw/zinc/71/49/16/547714916.db2.gz YDALGLJIIBEOOC-OAQYLSRUSA-N 1 3 367.493 2.245 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1Cc2ccccc2C1 ZINC000184918528 547899907 /nfs/dbraw/zinc/89/99/07/547899907.db2.gz AOOYVRGVZGENJW-HXUWFJFHSA-N 1 3 358.530 2.211 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1Cc2ccccc2C1 ZINC000184918528 547899913 /nfs/dbraw/zinc/89/99/13/547899913.db2.gz AOOYVRGVZGENJW-HXUWFJFHSA-N 1 3 358.530 2.211 20 0 FEADHO Cc1ccc(CN2CCCN(C(=O)CN(C)CC[N@H+](C)C3CC3)CC2)cc1 ZINC000186761284 548187305 /nfs/dbraw/zinc/18/73/05/548187305.db2.gz VOAQBFZXWIKIJE-UHFFFAOYSA-N 1 3 372.557 2.055 20 0 FEADHO Cc1ccc(CN2CCCN(C(=O)CN(C)CC[N@@H+](C)C3CC3)CC2)cc1 ZINC000186761284 548187310 /nfs/dbraw/zinc/18/73/10/548187310.db2.gz VOAQBFZXWIKIJE-UHFFFAOYSA-N 1 3 372.557 2.055 20 0 FEADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)C1 ZINC000189203004 548298159 /nfs/dbraw/zinc/29/81/59/548298159.db2.gz JNVJHVQFCLJDSV-PZJWPPBQSA-N 1 3 367.493 2.408 20 0 FEADHO C[NH+]1CCC(CC(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000486339997 561344829 /nfs/dbraw/zinc/34/48/29/561344829.db2.gz HIJLBLJLHMXKIN-UHFFFAOYSA-N 1 3 372.513 2.183 20 0 FEADHO O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000195245509 548602787 /nfs/dbraw/zinc/60/27/87/548602787.db2.gz JYWLIIAHINGQSW-JZXOWHBKSA-N 1 3 367.415 2.119 20 0 FEADHO C[C@@H](c1ccccc1Br)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221166508 548702631 /nfs/dbraw/zinc/70/26/31/548702631.db2.gz VMWSWSLKZOEUDO-QWHCGFSZSA-N 1 3 354.292 2.297 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])cc2)CC1 ZINC000236613933 548769025 /nfs/dbraw/zinc/76/90/25/548769025.db2.gz MOHLTBBLBKGQNP-QUCCMNQESA-N 1 3 358.530 2.464 20 0 FEADHO CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@H]1CSCCN1 ZINC000236876342 548785797 /nfs/dbraw/zinc/78/57/97/548785797.db2.gz OIPNTOQFVCWOOL-HNNXBMFYSA-N 1 3 351.516 2.441 20 0 FEADHO CCN1CCN(Cc2ccccc2CNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000236955687 548790329 /nfs/dbraw/zinc/79/03/29/548790329.db2.gz DQMHSPCYVAIIEC-UHFFFAOYSA-N 1 3 366.509 2.213 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)[C@]2(C)CCCC[NH2+]2)cc1)[C@H]1CCCN(C)C1 ZINC000237187622 548806110 /nfs/dbraw/zinc/80/61/10/548806110.db2.gz GJWITAYBSWJLHG-RXVVDRJESA-N 1 3 372.513 2.324 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000237720576 548847335 /nfs/dbraw/zinc/84/73/35/548847335.db2.gz YOXNPRWAWBPBOV-FQEVSTJZSA-N 1 3 358.530 2.156 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000245807741 548997218 /nfs/dbraw/zinc/99/72/18/548997218.db2.gz MVZBBKUTEAGXKG-OAQYLSRUSA-N 1 3 372.557 2.055 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000245849195 549002971 /nfs/dbraw/zinc/00/29/71/549002971.db2.gz GBLJSJOASPDKMC-GUDVDZBRSA-N 1 3 359.514 2.271 20 0 FEADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccccc2Br)CC[N@@H+]1C ZINC000246298332 549099653 /nfs/dbraw/zinc/09/96/53/549099653.db2.gz CXFYHFJKKFYWEQ-HZSPNIEDSA-N 1 3 357.292 2.261 20 0 FEADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccccc2Br)CC[N@H+]1C ZINC000246298332 549099656 /nfs/dbraw/zinc/09/96/56/549099656.db2.gz CXFYHFJKKFYWEQ-HZSPNIEDSA-N 1 3 357.292 2.261 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000246410681 549126754 /nfs/dbraw/zinc/12/67/54/549126754.db2.gz UUHXYTCVATZPNG-VQIMIIECSA-N 1 3 362.518 2.109 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000246410681 549126757 /nfs/dbraw/zinc/12/67/57/549126757.db2.gz UUHXYTCVATZPNG-VQIMIIECSA-N 1 3 362.518 2.109 20 0 FEADHO CCN1CCN(CCC(=O)N(CC[NH+]2CCCCCC2)C2CCC2)CC1 ZINC000488896647 561399131 /nfs/dbraw/zinc/39/91/31/561399131.db2.gz LIJDGOIIXGPOCM-UHFFFAOYSA-N 1 3 364.578 2.271 20 0 FEADHO COCCN(C)CCCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000247124069 549288217 /nfs/dbraw/zinc/28/82/17/549288217.db2.gz ZCCDKXVCZFUBJZ-RBUKOAKNSA-N 1 3 368.566 2.251 20 0 FEADHO COCCN(C)CCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000247124069 549288222 /nfs/dbraw/zinc/28/82/22/549288222.db2.gz ZCCDKXVCZFUBJZ-RBUKOAKNSA-N 1 3 368.566 2.251 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000489149351 561404513 /nfs/dbraw/zinc/40/45/13/561404513.db2.gz PFUYDZMGOORDLF-HOTGVXAUSA-N 1 3 354.539 2.048 20 0 FEADHO C[C@]1(C(N)=O)CCCCN1CCCCCC[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000248572535 549461034 /nfs/dbraw/zinc/46/10/34/549461034.db2.gz GLLYBAFUBOZPLA-WOJBJXKFSA-N 1 3 366.550 2.007 20 0 FEADHO C[C@]1(C(N)=O)CCCCN1CCCCCC[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000248572535 549461037 /nfs/dbraw/zinc/46/10/37/549461037.db2.gz GLLYBAFUBOZPLA-WOJBJXKFSA-N 1 3 366.550 2.007 20 0 FEADHO CNC(=O)[C@H](CCSC)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000489828581 561419890 /nfs/dbraw/zinc/41/98/90/561419890.db2.gz XMZGHDIOZOOZIH-OKYOBFRVSA-N 1 3 361.555 2.354 20 0 FEADHO COc1cc(NC(=O)CCN2CCCC[C@H]2CC[NH3+])cc(OC)c1OC ZINC000489830901 561420119 /nfs/dbraw/zinc/42/01/19/561420119.db2.gz ZDGLEHDXKOEZGX-HNNXBMFYSA-N 1 3 365.474 2.244 20 0 FEADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000489907515 561422056 /nfs/dbraw/zinc/42/20/56/561422056.db2.gz NYXBWUBQTHVLOP-QGZVFWFLSA-N 1 3 358.486 2.345 20 0 FEADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](N)C1CCOCC1 ZINC000261925002 549770041 /nfs/dbraw/zinc/77/00/41/549770041.db2.gz ZDKIBICZEMWYTQ-JXFKEZNVSA-N 1 3 359.514 2.431 20 0 FEADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](N)C1CCOCC1 ZINC000261925002 549770043 /nfs/dbraw/zinc/77/00/43/549770043.db2.gz ZDKIBICZEMWYTQ-JXFKEZNVSA-N 1 3 359.514 2.431 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262223256 549799792 /nfs/dbraw/zinc/79/97/92/549799792.db2.gz FULCTBJQGKXWIA-KLHFOMLHSA-N 1 3 359.514 2.397 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)C[NH2+]CC3CC3)CC2)c1 ZINC000262626329 549833126 /nfs/dbraw/zinc/83/31/26/549833126.db2.gz BSOIQQQYORQWEL-UHFFFAOYSA-N 1 3 358.530 2.013 20 0 FEADHO N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000262663099 549836291 /nfs/dbraw/zinc/83/62/91/549836291.db2.gz ZQKGYSZKFBCGCT-OAQYLSRUSA-N 1 3 367.493 2.399 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CN1Cc1ccccc1 ZINC000262871910 549857846 /nfs/dbraw/zinc/85/78/46/549857846.db2.gz XVPMXZCCYMQBKO-QRQLOZEOSA-N 1 3 367.497 2.200 20 0 FEADHO O=C(CCC1CC[NH2+]CC1)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000263294298 549893103 /nfs/dbraw/zinc/89/31/03/549893103.db2.gz WDQHKWVKDLTRTK-UHFFFAOYSA-N 1 3 372.513 2.231 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)COc2ccccc2)[C@@H](C)C1 ZINC000268743255 550111477 /nfs/dbraw/zinc/11/14/77/550111477.db2.gz DPEWGEBVSKFTKA-NSHGMRRFSA-N 1 3 350.503 2.153 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)COc2ccccc2)[C@@H](C)C1 ZINC000268743255 550111478 /nfs/dbraw/zinc/11/14/78/550111478.db2.gz DPEWGEBVSKFTKA-NSHGMRRFSA-N 1 3 350.503 2.153 20 0 FEADHO COc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1Cn1cccn1 ZINC000268849354 550123325 /nfs/dbraw/zinc/12/33/25/550123325.db2.gz PLVLEYQNKMHSLM-APWZRJJASA-N 1 3 358.486 2.047 20 0 FEADHO CCN1CCCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000269114889 550157114 /nfs/dbraw/zinc/15/71/14/550157114.db2.gz SBYSLMCLIHGYTH-UHFFFAOYSA-N 1 3 358.530 2.431 20 0 FEADHO O=C(CC[C@@H]1CC[NH2+]C1)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000270306822 550260607 /nfs/dbraw/zinc/26/06/07/550260607.db2.gz DCIJGQODTGBKNF-HXUWFJFHSA-N 1 3 372.557 2.090 20 0 FEADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc([S@@](C)=O)cc1 ZINC000271500738 550380457 /nfs/dbraw/zinc/38/04/57/550380457.db2.gz LWYUYJIHTKDRSO-HVXFUGBPSA-N 1 3 350.528 2.452 20 0 FEADHO CN1CC[C@H]2CCN(C(=O)NCc3ccc(OCCC[NH+](C)C)cc3)[C@@H]2C1 ZINC000272326947 550437609 /nfs/dbraw/zinc/43/76/09/550437609.db2.gz JLKPOLCIQPDCDP-AZUAARDMSA-N 1 3 374.529 2.253 20 0 FEADHO CSCC[C@@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000272489548 550452511 /nfs/dbraw/zinc/45/25/11/550452511.db2.gz SVFLPADVBHKHHI-RHSMWYFYSA-N 1 3 351.516 2.426 20 0 FEADHO CSCC[C@@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000272489548 550452514 /nfs/dbraw/zinc/45/25/14/550452514.db2.gz SVFLPADVBHKHHI-RHSMWYFYSA-N 1 3 351.516 2.426 20 0 FEADHO CC[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)N(CC)CC ZINC000273221398 550490241 /nfs/dbraw/zinc/49/02/41/550490241.db2.gz VJZMAMRHKRARAN-WOJBJXKFSA-N 1 3 361.530 2.380 20 0 FEADHO CC[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N(CC)CC ZINC000273221398 550490243 /nfs/dbraw/zinc/49/02/43/550490243.db2.gz VJZMAMRHKRARAN-WOJBJXKFSA-N 1 3 361.530 2.380 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000494554760 561471581 /nfs/dbraw/zinc/47/15/81/561471581.db2.gz XYLIWSYRTZJTKD-UZLBHIALSA-N 1 3 359.514 2.103 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC[N@H+]1C ZINC000494554760 561471582 /nfs/dbraw/zinc/47/15/82/561471582.db2.gz XYLIWSYRTZJTKD-UZLBHIALSA-N 1 3 359.514 2.103 20 0 FEADHO O=C(CC[C@H]1CCC[NH2+]1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000494669772 561473726 /nfs/dbraw/zinc/47/37/26/561473726.db2.gz QFUVNTVPFRADNZ-QGZVFWFLSA-N 1 3 363.477 2.317 20 0 FEADHO CN(C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000276837986 550601553 /nfs/dbraw/zinc/60/15/53/550601553.db2.gz IKIIBMLWWSNNAU-OALUTQOASA-N 1 3 367.497 2.154 20 0 FEADHO CCN1CCN(Cc2ccc(C[NH2+]CC3(OC)CCOCC3)cc2)CC1 ZINC000277002305 550620624 /nfs/dbraw/zinc/62/06/24/550620624.db2.gz KDGPKCLXJDNWSP-UHFFFAOYSA-N 1 3 361.530 2.109 20 0 FEADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC4(N5CCOCC5)CC4)[C@H]3C2)cc1 ZINC000278780792 550821095 /nfs/dbraw/zinc/82/10/95/550821095.db2.gz PUIRKWUSIDCTJI-ACRUOGEOSA-N 1 3 355.526 2.351 20 0 FEADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NCC4(N5CCOCC5)CC4)[C@H]3C2)cc1 ZINC000278780792 550821097 /nfs/dbraw/zinc/82/10/97/550821097.db2.gz PUIRKWUSIDCTJI-ACRUOGEOSA-N 1 3 355.526 2.351 20 0 FEADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCC4(N5CCOCC5)CC4)[C@H]3C2)cc1 ZINC000278780792 550821099 /nfs/dbraw/zinc/82/10/99/550821099.db2.gz PUIRKWUSIDCTJI-ACRUOGEOSA-N 1 3 355.526 2.351 20 0 FEADHO C[C@H]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CCN1Cc1ccccc1 ZINC000278975925 550842345 /nfs/dbraw/zinc/84/23/45/550842345.db2.gz JLACVYDOHQPLBX-FUHWJXTLSA-N 1 3 367.497 2.223 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000279322751 550877501 /nfs/dbraw/zinc/87/75/01/550877501.db2.gz SLESHEORSBQCII-FBBABVLZSA-N 1 3 373.541 2.296 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)C3(COC)CC[NH2+]CC3)c(C)c2)CC1 ZINC000279889158 550940130 /nfs/dbraw/zinc/94/01/30/550940130.db2.gz HNHPHEWJDWHCJU-UHFFFAOYSA-N 1 3 374.529 2.092 20 0 FEADHO NC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000497326646 561498427 /nfs/dbraw/zinc/49/84/27/561498427.db2.gz XUFOCSNKVIUDBI-OALUTQOASA-N 1 3 357.498 2.007 20 0 FEADHO NC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000497326646 561498428 /nfs/dbraw/zinc/49/84/28/561498428.db2.gz XUFOCSNKVIUDBI-OALUTQOASA-N 1 3 357.498 2.007 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H](CC[NH3+])C3)CC2)c1 ZINC000282049588 551174208 /nfs/dbraw/zinc/17/42/08/551174208.db2.gz VHSUEQMXINVNKX-LJQANCHMSA-N 1 3 358.530 2.095 20 0 FEADHO CSc1cc2c(cc1C[NH2+]CCN1CCN(C)C(C)(C)C1)OCCO2 ZINC000282451712 551231151 /nfs/dbraw/zinc/23/11/51/551231151.db2.gz SMOYMSVGFDFRHL-UHFFFAOYSA-N 1 3 365.543 2.295 20 0 FEADHO COc1cc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC000282484045 551235545 /nfs/dbraw/zinc/23/55/45/551235545.db2.gz XBNRKVUDLGGZAE-OAHLLOKOSA-N 1 3 365.518 2.389 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)Cc1ccccc1 ZINC000498105052 561516182 /nfs/dbraw/zinc/51/61/82/561516182.db2.gz IJYQVXSUQYMMHN-XUVXKRRUSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)Cc1ccccc1 ZINC000498105052 561516183 /nfs/dbraw/zinc/51/61/83/561516183.db2.gz IJYQVXSUQYMMHN-XUVXKRRUSA-N 1 3 358.530 2.285 20 0 FEADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000284338160 551527586 /nfs/dbraw/zinc/52/75/86/551527586.db2.gz MAGLLHUIPYKFJY-LJQANCHMSA-N 1 3 359.514 2.479 20 0 FEADHO CCN1C[C@@H](C)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C ZINC000498915337 561537776 /nfs/dbraw/zinc/53/77/76/561537776.db2.gz MQFGMVDAGIQTJK-RTBURBONSA-N 1 3 372.557 2.313 20 0 FEADHO C[C@H](CNC(=O)N(C)CCCN(C)Cc1ccco1)C[NH+]1CCCC1 ZINC000286559562 551900015 /nfs/dbraw/zinc/90/00/15/551900015.db2.gz DSCFRHVWXIRHFG-QGZVFWFLSA-N 1 3 350.507 2.475 20 0 FEADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000286955943 551944425 /nfs/dbraw/zinc/94/44/25/551944425.db2.gz DEPGERGGYMDPPB-FXAWDEMLSA-N 1 3 374.529 2.395 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000287458010 552006637 /nfs/dbraw/zinc/00/66/37/552006637.db2.gz XKYBWQJDITUOTD-FHWLQOOXSA-N 1 3 360.502 2.224 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000287458010 552006638 /nfs/dbraw/zinc/00/66/38/552006638.db2.gz XKYBWQJDITUOTD-FHWLQOOXSA-N 1 3 360.502 2.224 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287549313 552017889 /nfs/dbraw/zinc/01/78/89/552017889.db2.gz FNESYTMJIYIWKF-GOSISDBHSA-N 1 3 356.518 2.336 20 0 FEADHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc(-n2ccnn2)c1 ZINC000287685995 552034401 /nfs/dbraw/zinc/03/44/01/552034401.db2.gz MXYVWLPBWMUDOM-CWFSZBLJSA-N 1 3 355.486 2.296 20 0 FEADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000289463957 552325752 /nfs/dbraw/zinc/32/57/52/552325752.db2.gz AEEHXZNPZHVPNZ-VQTJNVASSA-N 1 3 359.514 2.412 20 0 FEADHO OCc1cn(CCC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)nn1 ZINC000289610117 552349275 /nfs/dbraw/zinc/34/92/75/552349275.db2.gz DBCFXCZFCBYCLL-HMXCVIKNSA-N 1 3 369.513 2.051 20 0 FEADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000290016638 552414469 /nfs/dbraw/zinc/41/44/69/552414469.db2.gz JOBWZADFSZVLFE-MRXNPFEDSA-N 1 3 362.518 2.232 20 0 FEADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000290016638 552414471 /nfs/dbraw/zinc/41/44/71/552414471.db2.gz JOBWZADFSZVLFE-MRXNPFEDSA-N 1 3 362.518 2.232 20 0 FEADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000290037297 552417679 /nfs/dbraw/zinc/41/76/79/552417679.db2.gz GIZZBZBSKOSKQT-ROUUACIJSA-N 1 3 373.501 2.229 20 0 FEADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000290709840 552524229 /nfs/dbraw/zinc/52/42/29/552524229.db2.gz OGHCEIZKEYSUPP-MRXNPFEDSA-N 1 3 350.507 2.155 20 0 FEADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000290709840 552524231 /nfs/dbraw/zinc/52/42/31/552524231.db2.gz OGHCEIZKEYSUPP-MRXNPFEDSA-N 1 3 350.507 2.155 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)c(C)n2C)[C@H](C)C1 ZINC000291304166 552612531 /nfs/dbraw/zinc/61/25/31/552612531.db2.gz XAVVGHLKAWLBKT-DNVCBOLYSA-N 1 3 365.518 2.347 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCN1Cc1ccccc1 ZINC000291823476 552665391 /nfs/dbraw/zinc/66/53/91/552665391.db2.gz FIAWYNHIHDNEJI-SLYNCCJLSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CCN1Cc1ccccc1 ZINC000291823476 552665392 /nfs/dbraw/zinc/66/53/92/552665392.db2.gz FIAWYNHIHDNEJI-SLYNCCJLSA-N 1 3 356.514 2.387 20 0 FEADHO CN1CCC(CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)CC1 ZINC000292081602 552691628 /nfs/dbraw/zinc/69/16/28/552691628.db2.gz HUJOFGMNZIEXBQ-UHFFFAOYSA-N 1 3 359.518 2.282 20 0 FEADHO CC(C)[N@@H+]1CCCN([C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000292584042 552740530 /nfs/dbraw/zinc/74/05/30/552740530.db2.gz UPNVSOGFFSTMTH-FPOVZHCZSA-N 1 3 372.557 2.182 20 0 FEADHO CC(C)[N@H+]1CCCN([C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000292584042 552740532 /nfs/dbraw/zinc/74/05/32/552740532.db2.gz UPNVSOGFFSTMTH-FPOVZHCZSA-N 1 3 372.557 2.182 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CN1Cc1ccccc1 ZINC000292593424 552741383 /nfs/dbraw/zinc/74/13/83/552741383.db2.gz MOFNMMXJOBEOSN-LMNJBCLMSA-N 1 3 356.514 2.387 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CN1Cc1ccccc1 ZINC000292593424 552741384 /nfs/dbraw/zinc/74/13/84/552741384.db2.gz MOFNMMXJOBEOSN-LMNJBCLMSA-N 1 3 356.514 2.387 20 0 FEADHO COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCCN2CC=C(C)CC2)cc1 ZINC000501943027 561608553 /nfs/dbraw/zinc/60/85/53/561608553.db2.gz ZTMRPDWCXZNDOO-LJQANCHMSA-N 1 3 360.502 2.249 20 0 FEADHO C[C@@H]1CCN(C)CCN1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000503023026 561632553 /nfs/dbraw/zinc/63/25/53/561632553.db2.gz VGBVFCDXYYXJPR-GOSISDBHSA-N 1 3 374.529 2.397 20 0 FEADHO Cc1cc(N2CCC[C@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)n(C)n1 ZINC000298074903 553380728 /nfs/dbraw/zinc/38/07/28/553380728.db2.gz LHSZWRQJUPOPCF-SFHVURJKSA-N 1 3 354.502 2.351 20 0 FEADHO CCN1CCN([C@H]2CCN(c3cc[nH+]c4cc(OC)c(OC)cc43)C2)CC1 ZINC000298166197 553393245 /nfs/dbraw/zinc/39/32/45/553393245.db2.gz FJUGGQKZKUHTBX-INIZCTEOSA-N 1 3 370.497 2.468 20 0 FEADHO CCn1ccnc1CN(CCCn1ccnc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000503917600 561649936 /nfs/dbraw/zinc/64/99/36/561649936.db2.gz GBDUARXIAPVWEZ-GOSISDBHSA-N 1 3 356.518 2.442 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299450616 553565265 /nfs/dbraw/zinc/56/52/65/553565265.db2.gz UGXAFAGQAACYHO-QZTJIDSGSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000299450616 553565267 /nfs/dbraw/zinc/56/52/67/553565267.db2.gz UGXAFAGQAACYHO-QZTJIDSGSA-N 1 3 360.502 2.053 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@@H](Cc2ccccc2)[NH+](CC)CC)CC1 ZINC000299673047 553600979 /nfs/dbraw/zinc/60/09/79/553600979.db2.gz PNZVPPKJQNXLTM-OAQYLSRUSA-N 1 3 374.573 2.083 20 0 FEADHO CCN1CCN(C[C@H](C)CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000504403176 561657709 /nfs/dbraw/zinc/65/77/09/561657709.db2.gz IPIOBSAPSPKSCD-LJQANCHMSA-N 1 3 369.598 2.020 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000312682225 553756176 /nfs/dbraw/zinc/75/61/76/553756176.db2.gz PIKGRZQEJQLYAE-VWNVYAMZSA-N 1 3 371.525 2.157 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312682225 553756179 /nfs/dbraw/zinc/75/61/79/553756179.db2.gz PIKGRZQEJQLYAE-VWNVYAMZSA-N 1 3 371.525 2.157 20 0 FEADHO CC[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)N(C)C ZINC000507284176 561723691 /nfs/dbraw/zinc/72/36/91/561723691.db2.gz PHXFSNGOXFCBFA-PMACEKPBSA-N 1 3 373.541 2.372 20 0 FEADHO CC[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)N(C)C ZINC000507284176 561723692 /nfs/dbraw/zinc/72/36/92/561723692.db2.gz PHXFSNGOXFCBFA-PMACEKPBSA-N 1 3 373.541 2.372 20 0 FEADHO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1=O ZINC000507479984 561730501 /nfs/dbraw/zinc/73/05/01/561730501.db2.gz ACZNFHIVVOEUDG-IJNCOMJVSA-N 1 3 353.510 2.496 20 0 FEADHO CC[NH+](CC)CCOC1CCN(Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000508980099 561780095 /nfs/dbraw/zinc/78/00/95/561780095.db2.gz WVYTXVGXBICVOI-UHFFFAOYSA-N 1 3 361.486 2.454 20 0 FEADHO [NH3+]C1CCN(CCCC(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000510374648 561832904 /nfs/dbraw/zinc/83/29/04/561832904.db2.gz ONPFRPICNKYQFU-GOSISDBHSA-N 1 3 364.921 2.016 20 0 FEADHO CC(C)n1ncc2cc(CN3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)cnc21 ZINC000333121346 554575610 /nfs/dbraw/zinc/57/56/10/554575610.db2.gz IFWQQWSPQAXCOF-MSOLQXFVSA-N 1 3 355.486 2.213 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCCC[C@H]3CN)CC2)cc1 ZINC000333173419 554583458 /nfs/dbraw/zinc/58/34/58/554583458.db2.gz QHRXLCHRSRIWML-LPHOPBHVSA-N 1 3 365.543 2.255 20 0 FEADHO Cc1oc2ccccc2c1CN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000333183154 554584706 /nfs/dbraw/zinc/58/47/06/554584706.db2.gz SIESSIAKYGCBBO-MOPGFXCFSA-N 1 3 368.481 2.461 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000333290168 554599013 /nfs/dbraw/zinc/59/90/13/554599013.db2.gz JFPANIPYKCMHGY-AEFFLSMTSA-N 1 3 357.502 2.187 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCN1Cc1ccccc1 ZINC000333442192 554613727 /nfs/dbraw/zinc/61/37/27/554613727.db2.gz WGSDGXYEJUJHFA-MTEHYEEQSA-N 1 3 356.514 2.418 20 0 FEADHO CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333845409 554648904 /nfs/dbraw/zinc/64/89/04/554648904.db2.gz PBPCORCOZMRSEQ-IEBWSBKVSA-N 1 3 359.518 2.220 20 0 FEADHO CCN1CCN(CCCCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000511029653 561854332 /nfs/dbraw/zinc/85/43/32/561854332.db2.gz PBCFZYMKBTVPLE-IBGZPJMESA-N 1 3 352.567 2.031 20 0 FEADHO C[C@@H]1CCCC[C@H]1N(C)C(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362252557 554958064 /nfs/dbraw/zinc/95/80/64/554958064.db2.gz BANCOGCFZVNRSD-YZGWKJHDSA-N 1 3 364.578 2.124 20 0 FEADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCCn1c2ccccc2[nH]c1=O ZINC000362302990 554961348 /nfs/dbraw/zinc/96/13/48/554961348.db2.gz HHIGPTUUBJZYDM-BRWVUGGUSA-N 1 3 358.486 2.221 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCCn1c2ccccc2[nH]c1=O ZINC000362302990 554961349 /nfs/dbraw/zinc/96/13/49/554961349.db2.gz HHIGPTUUBJZYDM-BRWVUGGUSA-N 1 3 358.486 2.221 20 0 FEADHO C[C@H]1CN(CCC(=O)Nc2cccc(F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362703948 554981985 /nfs/dbraw/zinc/98/19/85/554981985.db2.gz RXVZDYKOXGOPEI-LPHOPBHVSA-N 1 3 362.493 2.112 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000363015045 555010952 /nfs/dbraw/zinc/01/09/52/555010952.db2.gz UAJSJBMVTDGBDD-SFHVURJKSA-N 1 3 373.545 2.262 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000363015045 555010954 /nfs/dbraw/zinc/01/09/54/555010954.db2.gz UAJSJBMVTDGBDD-SFHVURJKSA-N 1 3 373.545 2.262 20 0 FEADHO CCN1CCN(CCCCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363598727 555144793 /nfs/dbraw/zinc/14/47/93/555144793.db2.gz CNVKPMRDYPSDLD-IBGZPJMESA-N 1 3 364.578 2.175 20 0 FEADHO CCN1CCN(CCCCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363598727 555144797 /nfs/dbraw/zinc/14/47/97/555144797.db2.gz CNVKPMRDYPSDLD-IBGZPJMESA-N 1 3 364.578 2.175 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCCN1CCCC[C@H]1C ZINC000363678599 555162344 /nfs/dbraw/zinc/16/23/44/555162344.db2.gz LZSGBECWIFIJSQ-YRXWBPOGSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCCN1CCCC[C@H]1C ZINC000363678599 555162345 /nfs/dbraw/zinc/16/23/45/555162345.db2.gz LZSGBECWIFIJSQ-YRXWBPOGSA-N 1 3 366.550 2.049 20 0 FEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000363822321 555193309 /nfs/dbraw/zinc/19/33/09/555193309.db2.gz KZSIOHJSQKGPDR-RMVXJAJNSA-N 1 3 362.514 2.214 20 0 FEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000363822321 555193311 /nfs/dbraw/zinc/19/33/11/555193311.db2.gz KZSIOHJSQKGPDR-RMVXJAJNSA-N 1 3 362.514 2.214 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000363928844 555216134 /nfs/dbraw/zinc/21/61/34/555216134.db2.gz STMWITKOGJSXKF-SJLPKXTDSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000363928844 555216136 /nfs/dbraw/zinc/21/61/36/555216136.db2.gz STMWITKOGJSXKF-SJLPKXTDSA-N 1 3 366.550 2.002 20 0 FEADHO C[N@H+](CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)Cc1ccccc1 ZINC000363995087 555229608 /nfs/dbraw/zinc/22/96/08/555229608.db2.gz AJCHRGUXAGBVAP-LVCYWYKZSA-N 1 3 359.514 2.157 20 0 FEADHO C[N@@H+](CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)Cc1ccccc1 ZINC000363995087 555229610 /nfs/dbraw/zinc/22/96/10/555229610.db2.gz AJCHRGUXAGBVAP-LVCYWYKZSA-N 1 3 359.514 2.157 20 0 FEADHO C[NH+](C)CCOc1ccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000364001662 555230959 /nfs/dbraw/zinc/23/09/59/555230959.db2.gz NWTYZBFYCNCQHI-FUHIMQAGSA-N 1 3 361.486 2.098 20 0 FEADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364579883 555343959 /nfs/dbraw/zinc/34/39/59/555343959.db2.gz ZBCAGKKYWDSUOQ-NEWSRXKRSA-N 1 3 359.518 2.248 20 0 FEADHO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000512477812 561906849 /nfs/dbraw/zinc/90/68/49/561906849.db2.gz ABDZDZIKNUUAKJ-IHPCNDPISA-N 1 3 361.530 2.421 20 0 FEADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000512714289 561913277 /nfs/dbraw/zinc/91/32/77/561913277.db2.gz PPVBSFYNGLBYQD-UHFFFAOYSA-N 1 3 363.550 2.145 20 0 FEADHO C[C@@H]1C[C@@H](CNC(=O)NCC2=CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000364848210 555414583 /nfs/dbraw/zinc/41/45/83/555414583.db2.gz BEVWIKOCJVZQIT-XLIONFOSSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@@H]1C[C@@H](CNC(=O)NCC2=CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000364848210 555414587 /nfs/dbraw/zinc/41/45/87/555414587.db2.gz BEVWIKOCJVZQIT-XLIONFOSSA-N 1 3 356.514 2.458 20 0 FEADHO CCC[C@H](C(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1)N(C)C ZINC000364868861 555420050 /nfs/dbraw/zinc/42/00/50/555420050.db2.gz HRUVLCSJBAJAHM-GOSISDBHSA-N 1 3 352.567 2.173 20 0 FEADHO CS(=O)(=O)N1CCCC[C@@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000513001521 561922132 /nfs/dbraw/zinc/92/21/32/561922132.db2.gz ISEKKVVBHIFNHC-LJQANCHMSA-N 1 3 365.543 2.055 20 0 FEADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365279136 555530837 /nfs/dbraw/zinc/53/08/37/555530837.db2.gz NMMBWENGWQNTMU-ZWKOTPCHSA-N 1 3 361.534 2.219 20 0 FEADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000365279136 555530840 /nfs/dbraw/zinc/53/08/40/555530840.db2.gz NMMBWENGWQNTMU-ZWKOTPCHSA-N 1 3 361.534 2.219 20 0 FEADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000365279136 555530842 /nfs/dbraw/zinc/53/08/42/555530842.db2.gz NMMBWENGWQNTMU-ZWKOTPCHSA-N 1 3 361.534 2.219 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000365644029 555630314 /nfs/dbraw/zinc/63/03/14/555630314.db2.gz UZGIGZPQPXCFIF-ICSRJNTNSA-N 1 3 356.514 2.185 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000365644029 555630315 /nfs/dbraw/zinc/63/03/15/555630315.db2.gz UZGIGZPQPXCFIF-ICSRJNTNSA-N 1 3 356.514 2.185 20 0 FEADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000365723372 555651359 /nfs/dbraw/zinc/65/13/59/555651359.db2.gz CABITVJUCSOPQE-WDSOQIARSA-N 1 3 361.534 2.494 20 0 FEADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000365723372 555651361 /nfs/dbraw/zinc/65/13/61/555651361.db2.gz CABITVJUCSOPQE-WDSOQIARSA-N 1 3 361.534 2.494 20 0 FEADHO CC[C@@H]1CN(Cc2ccccc2N2CCN(CC)CC2)CC[N@@H+]1C[C@H](C)O ZINC000513606602 561944308 /nfs/dbraw/zinc/94/43/08/561944308.db2.gz RJINQGLUPXSBIJ-PZJWPPBQSA-N 1 3 374.573 2.106 20 0 FEADHO CC[C@@H]1CN(Cc2ccccc2N2CCN(CC)CC2)CC[N@H+]1C[C@H](C)O ZINC000513606602 561944309 /nfs/dbraw/zinc/94/43/09/561944309.db2.gz RJINQGLUPXSBIJ-PZJWPPBQSA-N 1 3 374.573 2.106 20 0 FEADHO Cc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(OCCN(C)C)c1 ZINC000514660835 561972200 /nfs/dbraw/zinc/97/22/00/561972200.db2.gz BCZQJHWZQRRICK-BRWVUGGUSA-N 1 3 360.502 2.445 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCc4ccccc4C3)CC2)CC1 ZINC000514676807 561973466 /nfs/dbraw/zinc/97/34/66/561973466.db2.gz JEWJUVCOTCUEIP-LJQANCHMSA-N 1 3 355.526 2.466 20 0 FEADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1-n1ccnn1 ZINC000367615180 556097467 /nfs/dbraw/zinc/09/74/67/556097467.db2.gz KIANYOHMJAWUSS-IAGOWNOFSA-N 1 3 354.502 2.086 20 0 FEADHO COCCOc1cccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000368052196 556204827 /nfs/dbraw/zinc/20/48/27/556204827.db2.gz UJWHJFMAGFTVJQ-GOSISDBHSA-N 1 3 361.530 2.312 20 0 FEADHO COCCOc1cccc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)c1 ZINC000368052196 556204829 /nfs/dbraw/zinc/20/48/29/556204829.db2.gz UJWHJFMAGFTVJQ-GOSISDBHSA-N 1 3 361.530 2.312 20 0 FEADHO COCCOc1cccc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000368052196 556204831 /nfs/dbraw/zinc/20/48/31/556204831.db2.gz UJWHJFMAGFTVJQ-GOSISDBHSA-N 1 3 361.530 2.312 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1 ZINC000515057520 561994357 /nfs/dbraw/zinc/99/43/57/561994357.db2.gz FICUTFZALYYZPK-GHTZIAJQSA-N 1 3 359.514 2.066 20 0 FEADHO Cc1nn(C)c2ncc(CNCc3ccccc3C[N@@H+]3CC[C@H](O)C3)cc12 ZINC000515434634 562010560 /nfs/dbraw/zinc/01/05/60/562010560.db2.gz MXYITPJTUZHETI-IBGZPJMESA-N 1 3 365.481 2.133 20 0 FEADHO Cc1nn(C)c2ncc(CNCc3ccccc3C[N@H+]3CC[C@H](O)C3)cc12 ZINC000515434634 562010561 /nfs/dbraw/zinc/01/05/61/562010561.db2.gz MXYITPJTUZHETI-IBGZPJMESA-N 1 3 365.481 2.133 20 0 FEADHO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000515832488 562023224 /nfs/dbraw/zinc/02/32/24/562023224.db2.gz XXGLQIWXXXLICC-HKUYNNGSSA-N 1 3 363.502 2.095 20 0 FEADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369219375 556539105 /nfs/dbraw/zinc/53/91/05/556539105.db2.gz DMLFSTMWVMELPB-AZUAARDMSA-N 1 3 373.545 2.325 20 0 FEADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369219375 556539107 /nfs/dbraw/zinc/53/91/07/556539107.db2.gz DMLFSTMWVMELPB-AZUAARDMSA-N 1 3 373.545 2.325 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369395409 556589668 /nfs/dbraw/zinc/58/96/68/556589668.db2.gz MLEIGNSQUIDLHN-NCXUSEDFSA-N 1 3 366.550 2.049 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369395409 556589670 /nfs/dbraw/zinc/58/96/70/556589670.db2.gz MLEIGNSQUIDLHN-NCXUSEDFSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000369661129 556662214 /nfs/dbraw/zinc/66/22/14/556662214.db2.gz OYAYGYHOFDPJOX-NSISKUIASA-N 1 3 359.514 2.367 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000369661129 556662216 /nfs/dbraw/zinc/66/22/16/556662216.db2.gz OYAYGYHOFDPJOX-NSISKUIASA-N 1 3 359.514 2.367 20 0 FEADHO c1cnn(C2CCN(CCOCC[NH+]3CCC(n4cccn4)CC3)CC2)c1 ZINC000370164626 556799133 /nfs/dbraw/zinc/79/91/33/556799133.db2.gz XSAFXGVCHLUSIT-UHFFFAOYSA-N 1 3 372.517 2.070 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000516634572 562052079 /nfs/dbraw/zinc/05/20/79/562052079.db2.gz QDDWZLBFMPGTIW-NSHGMRRFSA-N 1 3 374.529 2.327 20 0 FEADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000370677647 556937215 /nfs/dbraw/zinc/93/72/15/556937215.db2.gz YQDNQHLNJLJEQH-YZGWKJHDSA-N 1 3 359.514 2.204 20 0 FEADHO Cc1ccc(C(=O)NCCN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000370677647 556937217 /nfs/dbraw/zinc/93/72/17/556937217.db2.gz YQDNQHLNJLJEQH-YZGWKJHDSA-N 1 3 359.514 2.204 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000370717521 556948004 /nfs/dbraw/zinc/94/80/04/556948004.db2.gz VFWUWPUSTIMPIK-UHFFFAOYSA-N 1 3 372.513 2.210 20 0 FEADHO C[C@H](CC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)C1CC[NH2+]CC1 ZINC000370774244 556964404 /nfs/dbraw/zinc/96/44/04/556964404.db2.gz RAPJZWAHFMOLDB-ZAWLATJESA-N 1 3 351.535 2.018 20 0 FEADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CNCCCO1 ZINC000516957946 562067313 /nfs/dbraw/zinc/06/73/13/562067313.db2.gz KJWVJDVAIOOPCV-IUODEOHRSA-N 1 3 370.291 2.134 20 0 FEADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccn(CCN(C)C)n3)C2)CC1 ZINC000517039228 562072937 /nfs/dbraw/zinc/07/29/37/562072937.db2.gz VAFJIZQYLDULOG-SFHVURJKSA-N 1 3 361.534 2.029 20 0 FEADHO CN1CCC([NH+]2CCC(CCNC(=O)c3[nH]nc4c3CCCC4)CC2)CC1 ZINC000371087497 557071651 /nfs/dbraw/zinc/07/16/51/557071651.db2.gz BIPRQGMELLVDKV-UHFFFAOYSA-N 1 3 373.545 2.215 20 0 FEADHO CC[C@@H](C)NC(=O)[C@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371157555 557092371 /nfs/dbraw/zinc/09/23/71/557092371.db2.gz NXQUMSLMTBMMDZ-MSOLQXFVSA-N 1 3 366.594 2.418 20 0 FEADHO CN(C)CCN1CCC([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000517231158 562081244 /nfs/dbraw/zinc/08/12/44/562081244.db2.gz UEMGJGSVSBBPFD-SFHVURJKSA-N 1 3 373.463 2.224 20 0 FEADHO CC[NH+]1CCC(CN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000517455903 562090526 /nfs/dbraw/zinc/09/05/26/562090526.db2.gz RDCVESFCOIDJDN-HNNXBMFYSA-N 1 3 353.532 2.319 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1coc(-c2ccc(OC)cc2)n1 ZINC000371563757 557223479 /nfs/dbraw/zinc/22/34/79/557223479.db2.gz LHUUJJYCGZTFBN-QGZVFWFLSA-N 1 3 371.485 2.491 20 0 FEADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC[C@H]4CN(C5CC5)CCO4)[C@@H]3C2)cc1 ZINC000371605149 557237549 /nfs/dbraw/zinc/23/75/49/557237549.db2.gz HEOKYWMGISNHBH-UVUJQTEASA-N 1 3 355.526 2.350 20 0 FEADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@H]4CN(C5CC5)CCO4)[C@@H]3C2)cc1 ZINC000371605149 557237553 /nfs/dbraw/zinc/23/75/53/557237553.db2.gz HEOKYWMGISNHBH-UVUJQTEASA-N 1 3 355.526 2.350 20 0 FEADHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CN(C5CC5)CCO4)[C@@H]3C2)cc1 ZINC000371605149 557237557 /nfs/dbraw/zinc/23/75/57/557237557.db2.gz HEOKYWMGISNHBH-UVUJQTEASA-N 1 3 355.526 2.350 20 0 FEADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000371657305 557254338 /nfs/dbraw/zinc/25/43/38/557254338.db2.gz DNSXNIHKGYPSLE-QRVBRYPASA-N 1 3 366.550 2.051 20 0 FEADHO C[C@@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)N1CCC(C)CC1 ZINC000517890293 562100025 /nfs/dbraw/zinc/10/00/25/562100025.db2.gz JWEHQFZKFITSIA-SFHVURJKSA-N 1 3 366.550 2.051 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@]12CCO[C@H](C)C2 ZINC000371950629 557336634 /nfs/dbraw/zinc/33/66/34/557336634.db2.gz XFWCQDUQGRBIHM-FTEYMNFISA-N 1 3 351.535 2.066 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@]12CCO[C@H](C)C2 ZINC000371950629 557336636 /nfs/dbraw/zinc/33/66/36/557336636.db2.gz XFWCQDUQGRBIHM-FTEYMNFISA-N 1 3 351.535 2.066 20 0 FEADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000372192076 557404650 /nfs/dbraw/zinc/40/46/50/557404650.db2.gz LHQRWFRPPFPEGA-VDGAXYAQSA-N 1 3 361.530 2.105 20 0 FEADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000372192076 557404654 /nfs/dbraw/zinc/40/46/54/557404654.db2.gz LHQRWFRPPFPEGA-VDGAXYAQSA-N 1 3 361.530 2.105 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cc(F)c(Cl)cc1F ZINC000518955385 562121711 /nfs/dbraw/zinc/12/17/11/562121711.db2.gz AZHFMWQTYCTFMU-UHFFFAOYSA-N 1 3 362.852 2.253 20 0 FEADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC2CCN(Cc3cccs3)CC2)C1 ZINC000372468336 557478724 /nfs/dbraw/zinc/47/87/24/557478724.db2.gz FRPIXJNAHOINLZ-HNNXBMFYSA-N 1 3 350.532 2.306 20 0 FEADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372524136 557492410 /nfs/dbraw/zinc/49/24/10/557492410.db2.gz TVZMVSDARTVLIL-OTWHNJEPSA-N 1 3 361.534 2.350 20 0 FEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000372665540 557532893 /nfs/dbraw/zinc/53/28/93/557532893.db2.gz MKFQGYOMEFTSLD-GOSISDBHSA-N 1 3 351.535 2.258 20 0 FEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000372665540 557532895 /nfs/dbraw/zinc/53/28/95/557532895.db2.gz MKFQGYOMEFTSLD-GOSISDBHSA-N 1 3 351.535 2.258 20 0 FEADHO CN(CCOCC(F)(F)C(F)F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372746101 557553144 /nfs/dbraw/zinc/55/31/44/557553144.db2.gz URDZGNKLBHVVCL-AWEZNQCLSA-N 1 3 355.420 2.004 20 0 FEADHO CN(CCOCC(F)(F)C(F)F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372746101 557553145 /nfs/dbraw/zinc/55/31/45/557553145.db2.gz URDZGNKLBHVVCL-AWEZNQCLSA-N 1 3 355.420 2.004 20 0 FEADHO CN1CC[C@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)[C@@H]1c1cccs1 ZINC000372823456 557569967 /nfs/dbraw/zinc/56/99/67/557569967.db2.gz IQVUQFGJXBWTHJ-RVKKMQEKSA-N 1 3 373.526 2.292 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CC4(CC4)C(=O)O3)CC2)C[C@H](C)O1 ZINC000373034281 557614183 /nfs/dbraw/zinc/61/41/83/557614183.db2.gz IBJXXIBQBVHDJA-JZXOWHBKSA-N 1 3 350.503 2.293 20 0 FEADHO O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000373281792 557664529 /nfs/dbraw/zinc/66/45/29/557664529.db2.gz URZXBELMSCWVCH-QHAWAJNXSA-N 1 3 371.525 2.134 20 0 FEADHO O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000373281792 557664533 /nfs/dbraw/zinc/66/45/33/557664533.db2.gz URZXBELMSCWVCH-QHAWAJNXSA-N 1 3 371.525 2.134 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)COCc2ccc(Cl)cc2)CCCO1 ZINC000520219890 562150881 /nfs/dbraw/zinc/15/08/81/562150881.db2.gz MUDQMZMWYMPXOY-VQIMIIECSA-N 1 3 370.921 2.308 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)COCc2ccc(Cl)cc2)CCCO1 ZINC000520219890 562150882 /nfs/dbraw/zinc/15/08/82/562150882.db2.gz MUDQMZMWYMPXOY-VQIMIIECSA-N 1 3 370.921 2.308 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)NC[C@@H](C)N(C)C3CC3)CCCC2)CC1 ZINC000520788160 562163704 /nfs/dbraw/zinc/16/37/04/562163704.db2.gz UHQQQDQXHZIORJ-MRXNPFEDSA-N 1 3 366.550 2.192 20 0 FEADHO C[C@@H](CC[NH+](C)C)NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000521301202 562173847 /nfs/dbraw/zinc/17/38/47/562173847.db2.gz JWKATEADDVZKAM-KRWDZBQOSA-N 1 3 368.566 2.440 20 0 FEADHO C[NH+](C)CCCOc1ccc(CNC(=O)N2CCN3CCC2CC3)cc1 ZINC000375175393 557987328 /nfs/dbraw/zinc/98/73/28/557987328.db2.gz RSADNEBJLLQFBC-UHFFFAOYSA-N 1 3 360.502 2.007 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000375345194 558012609 /nfs/dbraw/zinc/01/26/09/558012609.db2.gz PDSOHAGGZKGLAI-QKLQHJQFSA-N 1 3 351.535 2.291 20 0 FEADHO Cc1ccc2c(c1)CC[C@H](C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)O2 ZINC000376023613 558115464 /nfs/dbraw/zinc/11/54/64/558115464.db2.gz ZEZJCXVAQWCCEA-OAQYLSRUSA-N 1 3 371.525 2.363 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)cc2)CC1 ZINC000376115245 558128866 /nfs/dbraw/zinc/12/88/66/558128866.db2.gz ODFUXMPVVNTFQX-PXNSSMCTSA-N 1 3 356.514 2.041 20 0 FEADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1N(C)C1CCN(CCc2ccncc2)CC1 ZINC000377018913 558252162 /nfs/dbraw/zinc/25/21/62/558252162.db2.gz IDAOIRVAFIYZMG-UGKGYDQZSA-N 1 3 371.573 2.494 20 0 FEADHO O=C(NC[C@H]1CCCCN1C1CC1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000377054121 558256456 /nfs/dbraw/zinc/25/64/56/558256456.db2.gz XSPYTHMUXAIACG-LJQANCHMSA-N 1 3 359.518 2.116 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000377512627 558355064 /nfs/dbraw/zinc/35/50/64/558355064.db2.gz OJMGMDBFPWXRET-OAQYLSRUSA-N 1 3 372.557 2.042 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377512627 558355067 /nfs/dbraw/zinc/35/50/67/558355067.db2.gz OJMGMDBFPWXRET-OAQYLSRUSA-N 1 3 372.557 2.042 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000377568952 558366956 /nfs/dbraw/zinc/36/69/56/558366956.db2.gz UFCCDHRENIMOEB-OAQYLSRUSA-N 1 3 356.514 2.044 20 0 FEADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000377582006 558370789 /nfs/dbraw/zinc/37/07/89/558370789.db2.gz MDQIQCZULKAITH-OAQYLSRUSA-N 1 3 373.541 2.468 20 0 FEADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+]CCCc1cnccc1C ZINC000377620762 558378695 /nfs/dbraw/zinc/37/86/95/558378695.db2.gz WOUZASVMVSAOLQ-UHFFFAOYSA-N 1 3 370.545 2.296 20 0 FEADHO CCN(C)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000377637250 558382922 /nfs/dbraw/zinc/38/29/22/558382922.db2.gz PPRYXOLYYJNCHR-LEWJYISDSA-N 1 3 372.557 2.306 20 0 FEADHO CCN(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000377637250 558382924 /nfs/dbraw/zinc/38/29/24/558382924.db2.gz PPRYXOLYYJNCHR-LEWJYISDSA-N 1 3 372.557 2.306 20 0 FEADHO CCN(C)[C@@H](C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000377637250 558382927 /nfs/dbraw/zinc/38/29/27/558382927.db2.gz PPRYXOLYYJNCHR-LEWJYISDSA-N 1 3 372.557 2.306 20 0 FEADHO CCC[NH+]1CCC(N2CCN(C(=O)[C@H](C)[C@H](N)c3ccccc3)CC2)CC1 ZINC000378201492 558501751 /nfs/dbraw/zinc/50/17/51/558501751.db2.gz DJVXPCMCQMZOAL-NQIIRXRSSA-N 1 3 372.557 2.341 20 0 FEADHO NC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000378561649 558583709 /nfs/dbraw/zinc/58/37/09/558583709.db2.gz CYFGWQLBWCZQKR-MISYRCLQSA-N 1 3 356.514 2.420 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCN2CCCC[C@H]2C)[C@H](C)C1 ZINC000523766652 562219336 /nfs/dbraw/zinc/21/93/36/562219336.db2.gz QSDGAJRTPBQNRP-QRVBRYPASA-N 1 3 368.566 2.297 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCCN2CCCC[C@H]2C)[C@H](C)C1 ZINC000523766652 562219337 /nfs/dbraw/zinc/21/93/37/562219337.db2.gz QSDGAJRTPBQNRP-QRVBRYPASA-N 1 3 368.566 2.297 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000524135938 562224362 /nfs/dbraw/zinc/22/43/62/562224362.db2.gz XQNLGLLOXBODHX-UXHICEINSA-N 1 3 374.529 2.152 20 0 FEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000524786532 562234920 /nfs/dbraw/zinc/23/49/20/562234920.db2.gz BMADPAXDQHXFIT-QGZVFWFLSA-N 1 3 358.530 2.115 20 0 FEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000524786532 562234921 /nfs/dbraw/zinc/23/49/21/562234921.db2.gz BMADPAXDQHXFIT-QGZVFWFLSA-N 1 3 358.530 2.115 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000525449632 562248395 /nfs/dbraw/zinc/24/83/95/562248395.db2.gz PMTJHSVYZADFPN-KRWDZBQOSA-N 1 3 366.481 2.174 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)ccc1CN(C)C ZINC000411357480 558884079 /nfs/dbraw/zinc/88/40/79/558884079.db2.gz ROIZXSRXCDRIPP-UHFFFAOYSA-N 1 3 374.529 2.233 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000525693379 562252578 /nfs/dbraw/zinc/25/25/78/562252578.db2.gz IUJBQRVLJJDVKT-NRFANRHFSA-N 1 3 359.514 2.004 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ccc(C)o1 ZINC000525808487 562255639 /nfs/dbraw/zinc/25/56/39/562255639.db2.gz UPSLVKRTYGRIMO-QGZVFWFLSA-N 1 3 350.507 2.188 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ccc(C)o1 ZINC000525808487 562255640 /nfs/dbraw/zinc/25/56/40/562255640.db2.gz UPSLVKRTYGRIMO-QGZVFWFLSA-N 1 3 350.507 2.188 20 0 FEADHO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000412113124 559014890 /nfs/dbraw/zinc/01/48/90/559014890.db2.gz XERSQIYXKDRNDH-QZTJIDSGSA-N 1 3 351.560 2.291 20 0 FEADHO O=C(NC[C@@H]1CCCCN1C1CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412294419 559025530 /nfs/dbraw/zinc/02/55/30/559025530.db2.gz ROSFZISSBQPWSL-ROUUACIJSA-N 1 3 351.560 2.337 20 0 FEADHO C[C@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCN(C2CC2)C1 ZINC000412367130 559031258 /nfs/dbraw/zinc/03/12/58/559031258.db2.gz MDIOOZKNXJRFPJ-CRAIPNDOSA-N 1 3 351.560 2.147 20 0 FEADHO CC[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)N(C)C ZINC000413634972 559121644 /nfs/dbraw/zinc/12/16/44/559121644.db2.gz NMCYBXUEGULJAQ-GUDVDZBRSA-N 1 3 352.567 2.122 20 0 FEADHO CC[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)N(C)C ZINC000413634972 559121645 /nfs/dbraw/zinc/12/16/45/559121645.db2.gz NMCYBXUEGULJAQ-GUDVDZBRSA-N 1 3 352.567 2.122 20 0 FEADHO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)cn1 ZINC000414117464 559149819 /nfs/dbraw/zinc/14/98/19/559149819.db2.gz ZLVKUIBEFJCVFT-OXJNMPFZSA-N 1 3 355.482 2.378 20 0 FEADHO CN1CCC(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)(N2CCOCC2)CC1 ZINC000414201003 559152627 /nfs/dbraw/zinc/15/26/27/559152627.db2.gz SFXOJTWISLNLTJ-HZPDHXFCSA-N 1 3 363.468 2.494 20 0 FEADHO C[C@H](NCCC(C)(C)S(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000414262815 559154467 /nfs/dbraw/zinc/15/44/67/559154467.db2.gz OOSHNNWUYYDVEX-HNNXBMFYSA-N 1 3 356.532 2.491 20 0 FEADHO CCc1ncc(CNCc2ccc(CN3CC[NH+](CC)CC3)cc2)cn1 ZINC000414301129 559155274 /nfs/dbraw/zinc/15/52/74/559155274.db2.gz BEYAWRQJCBBJBU-UHFFFAOYSA-N 1 3 353.514 2.466 20 0 FEADHO CN1CCC(C[NH2+]C/C=C\c2ccc(F)cc2F)(N2CCOCC2)CC1 ZINC000414478685 559167939 /nfs/dbraw/zinc/16/79/39/559167939.db2.gz FTSWMUYDRPIJJH-IHWYPQMZSA-N 1 3 365.468 2.364 20 0 FEADHO CN1CCC(C[NH2+]CCCCOc2ccccc2)(N2CCOCC2)CC1 ZINC000414486389 559168148 /nfs/dbraw/zinc/16/81/48/559168148.db2.gz QPVQEHGCFBNCAO-UHFFFAOYSA-N 1 3 361.530 2.232 20 0 FEADHO C[N@H+](CCCc1cc(-c2ccccc2)no1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414695488 559180301 /nfs/dbraw/zinc/18/03/01/559180301.db2.gz OXEQVRKHDSLLNP-KRWDZBQOSA-N 1 3 370.497 2.403 20 0 FEADHO C[N@@H+](CCCc1cc(-c2ccccc2)no1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414695488 559180302 /nfs/dbraw/zinc/18/03/02/559180302.db2.gz OXEQVRKHDSLLNP-KRWDZBQOSA-N 1 3 370.497 2.403 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000414857944 559191178 /nfs/dbraw/zinc/19/11/78/559191178.db2.gz QQMRAJRPLHSKDB-LJQANCHMSA-N 1 3 372.513 2.212 20 0 FEADHO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCC[C@H]1CCC[NH2+]1 ZINC000414904479 559194233 /nfs/dbraw/zinc/19/42/33/559194233.db2.gz LRFUXNNSESIIFZ-GOEBONIOSA-N 1 3 358.486 2.484 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000414950768 559196961 /nfs/dbraw/zinc/19/69/61/559196961.db2.gz GRBHEYNLNHIACQ-UHFFFAOYSA-N 1 3 374.529 2.219 20 0 FEADHO O=C1CC[C@@H](NCc2ccc(Br)cc2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414987084 559198995 /nfs/dbraw/zinc/19/89/95/559198995.db2.gz JZTKXZCEBNAUQJ-WBVHZDCISA-N 1 3 366.303 2.186 20 0 FEADHO Fc1cc2cccnc2c(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414990937 559199378 /nfs/dbraw/zinc/19/93/78/559199378.db2.gz SCRWIDYHEIVQSF-OAHLLOKOSA-N 1 3 356.367 2.300 20 0 FEADHO CCOC1CC(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)(N2CCOCC2)C1 ZINC000415103795 559205572 /nfs/dbraw/zinc/20/55/72/559205572.db2.gz KBHUDOWHXQSHME-AEAFLJPSSA-N 1 3 373.541 2.339 20 0 FEADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(CNC)c1 ZINC000415160980 559210341 /nfs/dbraw/zinc/21/03/41/559210341.db2.gz HYDKWUXVJLQNRL-IEBWSBKVSA-N 1 3 374.529 2.361 20 0 FEADHO CCCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415233072 559217045 /nfs/dbraw/zinc/21/70/45/559217045.db2.gz UUQJPMQYZGIMMC-UHFFFAOYSA-N 1 3 360.502 2.198 20 0 FEADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000415286587 559221197 /nfs/dbraw/zinc/22/11/97/559221197.db2.gz UORLWCUCYSNLLS-GOSISDBHSA-N 1 3 372.513 2.069 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000415315890 559223689 /nfs/dbraw/zinc/22/36/89/559223689.db2.gz MKXCOTIAFCIJPK-UHFFFAOYSA-N 1 3 360.502 2.163 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@H](C)[C@H]3C[NH3+])c2)CC1 ZINC000415498243 559243696 /nfs/dbraw/zinc/24/36/96/559243696.db2.gz MNNXFZSFTANROA-QFBILLFUSA-N 1 3 359.518 2.420 20 0 FEADHO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415881874 559281007 /nfs/dbraw/zinc/28/10/07/559281007.db2.gz VERPSZJAWOZQSF-UHFFFAOYSA-N 1 3 370.497 2.037 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)NC(C)(C)CN1CCN(CC)CC1 ZINC000415933357 559283062 /nfs/dbraw/zinc/28/30/62/559283062.db2.gz PWUJSRQLQRQEAE-UHFFFAOYSA-N 1 3 361.534 2.334 20 0 FEADHO C[NH2+]Cc1cccc(NC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1 ZINC000415934742 559283396 /nfs/dbraw/zinc/28/33/96/559283396.db2.gz SAPWJWUTXZHYDU-HXUWFJFHSA-N 1 3 368.481 2.294 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000415990999 559287585 /nfs/dbraw/zinc/28/75/85/559287585.db2.gz FAOBTIHBEYLUAN-OAHLLOKOSA-N 1 3 358.408 2.230 20 0 FEADHO CCc1ccc([C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000415999343 559288504 /nfs/dbraw/zinc/28/85/04/559288504.db2.gz VXRQBDJZAUUZCH-LSDHHAIUSA-N 1 3 360.424 2.431 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000416829589 559334245 /nfs/dbraw/zinc/33/42/45/559334245.db2.gz TXDFTBFCZBHKJR-QFBILLFUSA-N 1 3 360.502 2.131 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)c1cccc(OC)c1 ZINC000416905550 559337447 /nfs/dbraw/zinc/33/74/47/559337447.db2.gz GEVQIEHZARYOGP-KVSKMBFKSA-N 1 3 362.518 2.457 20 0 FEADHO C[NH+](C)CCOc1ccc(CNC(=O)NC[C@H](N)c2ccccc2)cc1 ZINC000416966584 559340643 /nfs/dbraw/zinc/34/06/43/559340643.db2.gz FPRQNWVEFSXAMN-IBGZPJMESA-N 1 3 356.470 2.126 20 0 FEADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NC3CCN(CCc4ccccc4)CC3)C[C@@H]21 ZINC000416970334 559340837 /nfs/dbraw/zinc/34/08/37/559340837.db2.gz DZLFECYWSDXTJP-SESVDKBCSA-N 1 3 370.541 2.462 20 0 FEADHO CC[C@H](CNC(=O)N1CCC[C@H](C[NH2+]C)C1)N1CCc2ccccc2C1 ZINC000417014509 559343818 /nfs/dbraw/zinc/34/38/18/559343818.db2.gz LCGIZXDIJFWZDX-YLJYHZDGSA-N 1 3 358.530 2.464 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417012407 559343835 /nfs/dbraw/zinc/34/38/35/559343835.db2.gz AIQSMMSGDBBNFT-FQEVSTJZSA-N 1 3 370.541 2.466 20 0 FEADHO CC[C@@H](CNC(=O)N1CCC[C@H](C[NH2+]C)C1)N1CCc2ccccc2C1 ZINC000417014505 559343850 /nfs/dbraw/zinc/34/38/50/559343850.db2.gz LCGIZXDIJFWZDX-XLIONFOSSA-N 1 3 358.530 2.464 20 0 FEADHO COCC1(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC[NH2+]CC1 ZINC000417018330 559344029 /nfs/dbraw/zinc/34/40/29/559344029.db2.gz HPAUYOZWTYMQEY-LJQANCHMSA-N 1 3 374.529 2.139 20 0 FEADHO [NH3+]CCCOC1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000417044964 559345512 /nfs/dbraw/zinc/34/55/12/559345512.db2.gz YNFMJVRVHRSDTE-HXUWFJFHSA-N 1 3 374.529 2.363 20 0 FEADHO C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000417089392 559347168 /nfs/dbraw/zinc/34/71/68/559347168.db2.gz OTBVDFLWHKZHOJ-APWZRJJASA-N 1 3 358.530 2.450 20 0 FEADHO COCC1(CNC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC[NH2+]CC1 ZINC000417216333 559353434 /nfs/dbraw/zinc/35/34/34/559353434.db2.gz BAXDTZKXPDOCEH-MJGOQNOKSA-N 1 3 374.529 2.137 20 0 FEADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000417218419 559353603 /nfs/dbraw/zinc/35/36/03/559353603.db2.gz GQZIQLGNDKOQPY-PKOBYXMFSA-N 1 3 374.529 2.361 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)NCC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000417337120 559358205 /nfs/dbraw/zinc/35/82/05/559358205.db2.gz WKVOVSHSKVTAAI-KRWDZBQOSA-N 1 3 374.529 2.206 20 0 FEADHO O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000417360555 559359163 /nfs/dbraw/zinc/35/91/63/559359163.db2.gz IFBBUQDZXQHYJO-JKSUJKDBSA-N 1 3 350.532 2.401 20 0 FEADHO C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H](C)CN1 ZINC000417368674 559359498 /nfs/dbraw/zinc/35/94/98/559359498.db2.gz QFYABHTWFZRJBS-OWCLPIDISA-N 1 3 350.532 2.352 20 0 FEADHO C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H](C)CN1 ZINC000417368674 559359499 /nfs/dbraw/zinc/35/94/99/559359499.db2.gz QFYABHTWFZRJBS-OWCLPIDISA-N 1 3 350.532 2.352 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417371557 559359630 /nfs/dbraw/zinc/35/96/30/559359630.db2.gz VTZAYMNGALOTLC-QAQDUYKDSA-N 1 3 362.518 2.191 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417374301 559359870 /nfs/dbraw/zinc/35/98/70/559359870.db2.gz XXQBLUYNHZFYGU-NVXWUHKLSA-N 1 3 362.543 2.496 20 0 FEADHO COCCCN1CCC(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417439543 559362319 /nfs/dbraw/zinc/36/23/19/559362319.db2.gz LYZSILKCHSOQAV-IBGZPJMESA-N 1 3 362.518 2.267 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000417516201 559365770 /nfs/dbraw/zinc/36/57/70/559365770.db2.gz NEZZJQZTCRJTRN-HSALFYBXSA-N 1 3 374.529 2.232 20 0 FEADHO COCCNCCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000417625939 559369583 /nfs/dbraw/zinc/36/95/83/559369583.db2.gz QOUYVXFIYQMYNN-UHFFFAOYSA-N 1 3 362.518 2.098 20 0 FEADHO COc1cc(NC(=O)N2CC[C@H](N3CC=CC3)C2)ccc1OCC[NH+](C)C ZINC000417654187 559370746 /nfs/dbraw/zinc/37/07/46/559370746.db2.gz RSDCLSHFUILCGO-KRWDZBQOSA-N 1 3 374.485 2.114 20 0 FEADHO [NH3+][C@@H]1CCCN(C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000417826870 559378017 /nfs/dbraw/zinc/37/80/17/559378017.db2.gz OYJFRHJRPPHGAH-LJQANCHMSA-N 1 3 374.529 2.190 20 0 FEADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C1CC1 ZINC000418128190 559391320 /nfs/dbraw/zinc/39/13/20/559391320.db2.gz ACQFHAFOEYALIN-PMACEKPBSA-N 1 3 356.514 2.433 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCC2=CC[NH2+]CC2)N(C)C)cc1 ZINC000418207052 559393961 /nfs/dbraw/zinc/39/39/61/559393961.db2.gz OYXUFBXEYYARGB-LJQANCHMSA-N 1 3 360.502 2.295 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)NCC[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418216115 559394238 /nfs/dbraw/zinc/39/42/38/559394238.db2.gz YYONNNCOXUOIAT-VQIMIIECSA-N 1 3 362.518 2.375 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)N(C)C)cc1 ZINC000418232126 559394854 /nfs/dbraw/zinc/39/48/54/559394854.db2.gz MANLFHSCMLBMTE-QRTARXTBSA-N 1 3 350.532 2.451 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)N(C)C)cc1 ZINC000418235330 559395055 /nfs/dbraw/zinc/39/50/55/559395055.db2.gz SDCOBKLRGZOBSL-SZMVWBNQSA-N 1 3 362.543 2.405 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418324720 559397583 /nfs/dbraw/zinc/39/75/83/559397583.db2.gz WHJJOHZIAJGSCC-AWEZNQCLSA-N 1 3 354.445 2.038 20 0 FEADHO COCC1(CNC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC[NH2+]CC1 ZINC000418348937 559398536 /nfs/dbraw/zinc/39/85/36/559398536.db2.gz JKNDGTGWXDZNGR-GOSISDBHSA-N 1 3 362.518 2.125 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418584142 559407059 /nfs/dbraw/zinc/40/70/59/559407059.db2.gz BUZQBUZRYWQNFT-PBHICJAKSA-N 1 3 352.910 2.411 20 0 FEADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000418788070 559416203 /nfs/dbraw/zinc/41/62/03/559416203.db2.gz JSRARNCBDNQMPC-VAMGGRTRSA-N 1 3 358.530 2.456 20 0 FEADHO COc1ccc([C@@H](CN)C[NH+]2CCC(CN3CCCCC3=O)CC2)cc1 ZINC000420301228 559479191 /nfs/dbraw/zinc/47/91/91/559479191.db2.gz LFMNTTDRUCALBM-IBGZPJMESA-N 1 3 359.514 2.462 20 0 FEADHO Cc1ccc(-c2noc(CN3CCN(CC[C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000420306607 559479385 /nfs/dbraw/zinc/47/93/85/559479385.db2.gz QMPJHQGXAPRIPY-QGZVFWFLSA-N 1 3 355.486 2.162 20 0 FEADHO COCc1cccc(OCC2(CN3CC[C@@H](N4CC[NH2+]CC4)C3)CCC2)c1 ZINC000420347422 559482349 /nfs/dbraw/zinc/48/23/49/559482349.db2.gz GPKNXPBABINWMH-HXUWFJFHSA-N 1 3 373.541 2.362 20 0 FEADHO COc1ccc([C@H](C[NH3+])CN2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000420366223 559483177 /nfs/dbraw/zinc/48/31/77/559483177.db2.gz FUYACFUYRSHQNZ-SQGPQFPESA-N 1 3 357.498 2.213 20 0 FEADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000420366223 559483178 /nfs/dbraw/zinc/48/31/78/559483178.db2.gz FUYACFUYRSHQNZ-SQGPQFPESA-N 1 3 357.498 2.213 20 0 FEADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000420366223 559483179 /nfs/dbraw/zinc/48/31/79/559483179.db2.gz FUYACFUYRSHQNZ-SQGPQFPESA-N 1 3 357.498 2.213 20 0 FEADHO CC(=O)c1ccc(NC(=O)CCN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000420396662 559485256 /nfs/dbraw/zinc/48/52/56/559485256.db2.gz VVTWUYRZDZLODV-ICSRJNTNSA-N 1 3 373.497 2.436 20 0 FEADHO CC[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](CC)O1 ZINC000420793036 559504820 /nfs/dbraw/zinc/50/48/20/559504820.db2.gz KLYBHMABJJHSPO-OALUTQOASA-N 1 3 366.550 2.144 20 0 FEADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000420858575 559508124 /nfs/dbraw/zinc/50/81/24/559508124.db2.gz FWMWYJKIIOVUMT-GOSISDBHSA-N 1 3 374.529 2.395 20 0 FEADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000420858575 559508125 /nfs/dbraw/zinc/50/81/25/559508125.db2.gz FWMWYJKIIOVUMT-GOSISDBHSA-N 1 3 374.529 2.395 20 0 FEADHO CCC[C@@H](C)NC(=O)[C@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420973414 559515777 /nfs/dbraw/zinc/51/57/77/559515777.db2.gz CIYMLDUBBLIGFE-MSOLQXFVSA-N 1 3 352.567 2.172 20 0 FEADHO CCC[C@@H](C)NC(=O)[C@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420973414 559515778 /nfs/dbraw/zinc/51/57/78/559515778.db2.gz CIYMLDUBBLIGFE-MSOLQXFVSA-N 1 3 352.567 2.172 20 0 FEADHO CCN1CCC([N@@H+]2CCCN([C@@H]3CCc4ccccc4NC3=O)CC2)CC1 ZINC000420972408 559515878 /nfs/dbraw/zinc/51/58/78/559515878.db2.gz AUPWHIHZMXFNSD-OAQYLSRUSA-N 1 3 370.541 2.432 20 0 FEADHO CCN1CCC([N@H+]2CCCN([C@@H]3CCc4ccccc4NC3=O)CC2)CC1 ZINC000420972408 559515879 /nfs/dbraw/zinc/51/58/79/559515879.db2.gz AUPWHIHZMXFNSD-OAQYLSRUSA-N 1 3 370.541 2.432 20 0 FEADHO CCN1CCC([N@@H+]2CCCN([C@H](C)C(=O)NC3CCCCC3)CC2)CC1 ZINC000421002720 559518606 /nfs/dbraw/zinc/51/86/06/559518606.db2.gz GQKDCOUJCQNGOT-GOSISDBHSA-N 1 3 364.578 2.316 20 0 FEADHO CCN1CCC([N@H+]2CCCN([C@H](C)C(=O)NC3CCCCC3)CC2)CC1 ZINC000421002720 559518607 /nfs/dbraw/zinc/51/86/07/559518607.db2.gz GQKDCOUJCQNGOT-GOSISDBHSA-N 1 3 364.578 2.316 20 0 FEADHO CN(C[C@H]1CCCN1C)C(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000421711747 559550523 /nfs/dbraw/zinc/55/05/23/559550523.db2.gz PCWSWZFFPQJENF-GOSISDBHSA-N 1 3 369.513 2.278 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000422272554 559574757 /nfs/dbraw/zinc/57/47/57/559574757.db2.gz ZDXONUMFSDOXQP-TVPLGVNVSA-N 1 3 362.518 2.470 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCN(c2ccccc2Br)C1 ZINC000422710094 559603794 /nfs/dbraw/zinc/60/37/94/559603794.db2.gz KXFDKSHSTTXAJN-RZLSGREXSA-N 1 3 368.319 2.370 20 0 FEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000422707572 559603803 /nfs/dbraw/zinc/60/38/03/559603803.db2.gz HQEANGNBNXUFLT-WMZHIEFXSA-N 1 3 366.553 2.482 20 0 FEADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000422707572 559603804 /nfs/dbraw/zinc/60/38/04/559603804.db2.gz HQEANGNBNXUFLT-WMZHIEFXSA-N 1 3 366.553 2.482 20 0 FEADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000422728100 559604590 /nfs/dbraw/zinc/60/45/90/559604590.db2.gz FBPIUCLOEKLUDV-IUODEOHRSA-N 1 3 354.292 2.157 20 0 FEADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000422755400 559605572 /nfs/dbraw/zinc/60/55/72/559605572.db2.gz BMZIJTKEHSGNOQ-REWPJTCUSA-N 1 3 366.553 2.352 20 0 FEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCN1CCN(Cc2ccccc2)CC1 ZINC000422755400 559605573 /nfs/dbraw/zinc/60/55/73/559605573.db2.gz BMZIJTKEHSGNOQ-REWPJTCUSA-N 1 3 366.553 2.352 20 0 FEADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000422952394 559612838 /nfs/dbraw/zinc/61/28/38/559612838.db2.gz AXSWXUSDKZCATL-ZFWWWQNUSA-N 1 3 354.292 2.286 20 0 FEADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422952394 559612839 /nfs/dbraw/zinc/61/28/39/559612839.db2.gz AXSWXUSDKZCATL-ZFWWWQNUSA-N 1 3 354.292 2.286 20 0 FEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000422774191 559606221 /nfs/dbraw/zinc/60/62/21/559606221.db2.gz WBBNCKXDLUUILK-GOSISDBHSA-N 1 3 367.541 2.317 20 0 FEADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422779542 559606323 /nfs/dbraw/zinc/60/63/23/559606323.db2.gz BYZHFDKRRSKGOG-KGLIPLIRSA-N 1 3 359.561 2.181 20 0 FEADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000422779543 559606403 /nfs/dbraw/zinc/60/64/03/559606403.db2.gz BYZHFDKRRSKGOG-UONOGXRCSA-N 1 3 359.561 2.181 20 0 FEADHO CC(C)[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCOCC1 ZINC000422806509 559607061 /nfs/dbraw/zinc/60/70/61/559607061.db2.gz NLENOVVDSXXIKL-SVFBPWRDSA-N 1 3 359.514 2.189 20 0 FEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422848710 559608416 /nfs/dbraw/zinc/60/84/16/559608416.db2.gz UEEIMQRGOVRWJT-RBUKOAKNSA-N 1 3 373.545 2.021 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000422900839 559610433 /nfs/dbraw/zinc/61/04/33/559610433.db2.gz JZNRNZJKNSFXSE-ZWKOTPCHSA-N 1 3 353.532 2.264 20 0 FEADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000422952392 559612730 /nfs/dbraw/zinc/61/27/30/559612730.db2.gz AXSWXUSDKZCATL-HIFRSBDPSA-N 1 3 354.292 2.286 20 0 FEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422952392 559612731 /nfs/dbraw/zinc/61/27/31/559612731.db2.gz AXSWXUSDKZCATL-HIFRSBDPSA-N 1 3 354.292 2.286 20 0 FEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000422977394 559613728 /nfs/dbraw/zinc/61/37/28/559613728.db2.gz KABYCVQUACWFAZ-VLCRHTCISA-N 1 3 353.510 2.172 20 0 FEADHO OCC1CC[NH+](Cc2cccc(N[C@@H](C3CC3)[C@@H]3CNCCO3)c2)CC1 ZINC000422983603 559613892 /nfs/dbraw/zinc/61/38/92/559613892.db2.gz UFKPGIWTDBAEEM-SFTDATJTSA-N 1 3 359.514 2.070 20 0 FEADHO CCOC(=O)C1([C@H](C)N[C@H](CCO)c2ccc(OC)cc2)CC[NH2+]CC1 ZINC000423011074 559614893 /nfs/dbraw/zinc/61/48/93/559614893.db2.gz YWCKVNNPKAGFOM-MAUKXSAKSA-N 1 3 364.486 2.030 20 0 FEADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000423027454 559615656 /nfs/dbraw/zinc/61/56/56/559615656.db2.gz PADPVWCVSIPTDI-JBACZVJFSA-N 1 3 374.573 2.176 20 0 FEADHO c1ccc(CN2CCCO[C@H](CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423070997 559617319 /nfs/dbraw/zinc/61/73/19/559617319.db2.gz DTXSRVOXQREBGY-CLAROIROSA-N 1 3 373.541 2.024 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423154554 559621287 /nfs/dbraw/zinc/62/12/87/559621287.db2.gz JQNZDGRLTKCQOH-WOSRLPQWSA-N 1 3 371.319 2.326 20 0 FEADHO COc1ccc(Br)cc1C[C@H](CO)CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423154554 559621288 /nfs/dbraw/zinc/62/12/88/559621288.db2.gz JQNZDGRLTKCQOH-WOSRLPQWSA-N 1 3 371.319 2.326 20 0 FEADHO COc1ccc(C[C@H](CO)CN[C@@H](C)C[C@H](C)[NH3+])cc1Br ZINC000423162778 559621580 /nfs/dbraw/zinc/62/15/80/559621580.db2.gz QBSACRDHHOIYTB-OBJOEFQTSA-N 1 3 359.308 2.324 20 0 FEADHO COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)C[C@H](C)N)cc1Br ZINC000423162778 559621581 /nfs/dbraw/zinc/62/15/81/559621581.db2.gz QBSACRDHHOIYTB-OBJOEFQTSA-N 1 3 359.308 2.324 20 0 FEADHO Brc1ccc2c(c1)[C@@H](NCCN1CC[NH2+]CC1)CCCO2 ZINC000423207725 559622774 /nfs/dbraw/zinc/62/27/74/559622774.db2.gz SELCTXHKXRZUEC-HNNXBMFYSA-N 1 3 354.292 2.158 20 0 FEADHO COc1ccc2c(c1F)CC[C@@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423379980 559627257 /nfs/dbraw/zinc/62/72/57/559627257.db2.gz DDIRUUYIWCITAM-ZFWWWQNUSA-N 1 3 361.383 2.247 20 0 FEADHO CC[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000423380706 559627275 /nfs/dbraw/zinc/62/72/75/559627275.db2.gz HNPKDUALUGLLNX-YOEHRIQHSA-N 1 3 373.419 2.335 20 0 FEADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(-n2ccnc2)cc1 ZINC000423389018 559627434 /nfs/dbraw/zinc/62/74/34/559627434.db2.gz NFUSUMKBZTWSDN-PBHICJAKSA-N 1 3 367.419 2.359 20 0 FEADHO COC[C@]1(C(=O)Nc2ccc(OCCN3CCCC3)c(C)c2)CC[NH2+]C1 ZINC000423420926 559628621 /nfs/dbraw/zinc/62/86/21/559628621.db2.gz XIAODBJSUJIRKE-FQEVSTJZSA-N 1 3 361.486 2.034 20 0 FEADHO CN(C)C[C@H](NC(=O)COC1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000423778867 559639098 /nfs/dbraw/zinc/63/90/98/559639098.db2.gz UJFDZVRSPNHPDC-JCYILVPMSA-N 1 3 353.894 2.345 20 0 FEADHO CC(C)[C@H](C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)N1CCCCC1 ZINC000424008439 559650608 /nfs/dbraw/zinc/65/06/08/559650608.db2.gz WYAIACDNMBLGFB-GUDVDZBRSA-N 1 3 351.535 2.242 20 0 FEADHO CC(C)[C@H](C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)N1CCCCC1 ZINC000424010541 559650848 /nfs/dbraw/zinc/65/08/48/559650848.db2.gz LGSKUFJWKFOWLC-GUDVDZBRSA-N 1 3 351.535 2.242 20 0 FEADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H](Cc3ccccc3)C(=O)NCCN(C)C)C[C@H]2C1 ZINC000424277031 559660691 /nfs/dbraw/zinc/66/06/91/559660691.db2.gz GKDUKLQIAWELHB-LUYSREMJSA-N 1 3 373.541 2.069 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)NCc2ccncc2OCCN(C)C)c1 ZINC000424423063 559663957 /nfs/dbraw/zinc/66/39/57/559663957.db2.gz FRYOCKUVOMHQNY-UHFFFAOYSA-N 1 3 357.458 2.111 20 0 FEADHO CCCN(CCN1CCN(CC)CC1)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424426076 559664083 /nfs/dbraw/zinc/66/40/83/559664083.db2.gz LCNFAROLZJQSMB-UHFFFAOYSA-N 1 3 361.534 2.335 20 0 FEADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424471244 559666581 /nfs/dbraw/zinc/66/65/81/559666581.db2.gz SAOKTPOUSDRNNC-XDWAVFMPSA-N 1 3 368.525 2.290 20 0 FEADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000426158321 559730824 /nfs/dbraw/zinc/73/08/24/559730824.db2.gz AKMZUQPPDAVODU-HXUWFJFHSA-N 1 3 366.594 2.373 20 0 FEADHO C[C@H]([NH3+])[C@H]1CCCN([C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000430572320 559823172 /nfs/dbraw/zinc/82/31/72/559823172.db2.gz FPEGJVTYIYXEOQ-BJLQDIEVSA-N 1 3 372.557 2.215 20 0 FEADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000430879998 559829483 /nfs/dbraw/zinc/82/94/83/559829483.db2.gz QRROSDVYGFZIBI-SFHVURJKSA-N 1 3 366.465 2.095 20 0 FEADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000431027782 559832767 /nfs/dbraw/zinc/83/27/67/559832767.db2.gz KWGDMKGEFNXPSV-VQTJNVASSA-N 1 3 373.545 2.008 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000431082337 559833651 /nfs/dbraw/zinc/83/36/51/559833651.db2.gz ULYDAUMNKVOVIR-HZPDHXFCSA-N 1 3 360.493 2.479 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000431082337 559833652 /nfs/dbraw/zinc/83/36/52/559833652.db2.gz ULYDAUMNKVOVIR-HZPDHXFCSA-N 1 3 360.493 2.479 20 0 FEADHO CCN1CCN(CCC(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000431553743 559841315 /nfs/dbraw/zinc/84/13/15/559841315.db2.gz VAHNRRSHMAISBQ-MOPGFXCFSA-N 1 3 352.567 2.031 20 0 FEADHO [NH3+]C1CCN(CCCC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000433135254 559872978 /nfs/dbraw/zinc/87/29/78/559872978.db2.gz INQPPDVCNVGDKZ-FQEVSTJZSA-N 1 3 358.530 2.143 20 0 FEADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433278152 559875675 /nfs/dbraw/zinc/87/56/75/559875675.db2.gz FLWKBZIHHNFYAC-MOPGFXCFSA-N 1 3 368.566 2.299 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433278152 559875676 /nfs/dbraw/zinc/87/56/76/559875676.db2.gz FLWKBZIHHNFYAC-MOPGFXCFSA-N 1 3 368.566 2.299 20 0 FEADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433405531 559880325 /nfs/dbraw/zinc/88/03/25/559880325.db2.gz GSSVHUMEXOICIE-MSOLQXFVSA-N 1 3 354.539 2.051 20 0 FEADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433405531 559880326 /nfs/dbraw/zinc/88/03/26/559880326.db2.gz GSSVHUMEXOICIE-MSOLQXFVSA-N 1 3 354.539 2.051 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(N3CCOCC3)CC2)CC1 ZINC000434794406 559909388 /nfs/dbraw/zinc/90/93/88/559909388.db2.gz NLGOKKQPFCQGPT-UHFFFAOYSA-N 1 3 372.557 2.173 20 0 FEADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3OCC(=O)NCC3CC3)C[C@H]21 ZINC000435382116 559921866 /nfs/dbraw/zinc/92/18/66/559921866.db2.gz XUAQIJPWXIHNLJ-BHIYHBOVSA-N 1 3 357.498 2.151 20 0 FEADHO CC(C)[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccnc1 ZINC000435683173 559927891 /nfs/dbraw/zinc/92/78/91/559927891.db2.gz POWMNQUHNNFPKT-HXUWFJFHSA-N 1 3 358.530 2.496 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000438195261 559975467 /nfs/dbraw/zinc/97/54/67/559975467.db2.gz BLYOFKDFTGZULI-HZPDHXFCSA-N 1 3 351.457 2.087 20 0 FEADHO CSc1ccccc1[C@@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000442799253 560057583 /nfs/dbraw/zinc/05/75/83/560057583.db2.gz ZUCBZZSRJCQIEB-QGZVFWFLSA-N 1 3 351.560 2.449 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC[C@@H]1OC ZINC000442838172 560059259 /nfs/dbraw/zinc/05/92/59/560059259.db2.gz RVYOAZXAPSFGAS-SQNIBIBYSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC[C@@H]1OC ZINC000442838172 560059261 /nfs/dbraw/zinc/05/92/61/560059261.db2.gz RVYOAZXAPSFGAS-SQNIBIBYSA-N 1 3 354.539 2.002 20 0 FEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000443059269 560068414 /nfs/dbraw/zinc/06/84/14/560068414.db2.gz MEASBZTWAMGGPY-SFHVURJKSA-N 1 3 359.514 2.255 20 0 FEADHO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N1CCC[C@@H](CC[NH3+])C1 ZINC000443079617 560069806 /nfs/dbraw/zinc/06/98/06/560069806.db2.gz ZRGFJJWMQPPYGR-XHSDSOJGSA-N 1 3 361.486 2.084 20 0 FEADHO [NH3+]CC[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(F)(F)F ZINC000449724084 560238289 /nfs/dbraw/zinc/23/82/89/560238289.db2.gz GPAAMMLOTYBYHU-HIFRSBDPSA-N 1 3 361.383 2.434 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000451219452 560293820 /nfs/dbraw/zinc/29/38/20/560293820.db2.gz UCXFDEUBIFQWLZ-SFHVURJKSA-N 1 3 352.567 2.016 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000451219452 560293821 /nfs/dbraw/zinc/29/38/21/560293821.db2.gz UCXFDEUBIFQWLZ-SFHVURJKSA-N 1 3 352.567 2.016 20 0 FEADHO CO[C@H]1C[C@H](NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1(C)C ZINC000451486820 560309820 /nfs/dbraw/zinc/30/98/20/560309820.db2.gz FCVFXVLLTVVXMX-PMACEKPBSA-N 1 3 373.541 2.479 20 0 FEADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(C[C@H]3CCC(C)(C)O3)C2)CC1 ZINC000451535466 560312975 /nfs/dbraw/zinc/31/29/75/560312975.db2.gz ZXHMFXDCIHSYAT-RBUKOAKNSA-N 1 3 351.535 2.210 20 0 FEADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(C[C@H]3CCC(C)(C)O3)C2)CC1 ZINC000451535466 560312976 /nfs/dbraw/zinc/31/29/76/560312976.db2.gz ZXHMFXDCIHSYAT-RBUKOAKNSA-N 1 3 351.535 2.210 20 0 FEADHO O=C(C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)NC1CCN(C2CC2)CC1 ZINC000451620775 560317704 /nfs/dbraw/zinc/31/77/04/560317704.db2.gz QWLZPSMMDJENEN-MOPGFXCFSA-N 1 3 361.530 2.011 20 0 FEADHO O=C(C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)NC1CCN(C2CC2)CC1 ZINC000451620775 560317705 /nfs/dbraw/zinc/31/77/05/560317705.db2.gz QWLZPSMMDJENEN-MOPGFXCFSA-N 1 3 361.530 2.011 20 0 FEADHO CC[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccncc1 ZINC000453186923 560384177 /nfs/dbraw/zinc/38/41/77/560384177.db2.gz UTIYYBLBGRKQGA-PMACEKPBSA-N 1 3 354.498 2.411 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCCN2CCCC2(C)C)c1 ZINC000454064428 560426034 /nfs/dbraw/zinc/42/60/34/560426034.db2.gz CXRYZLVWQCJRLP-UHFFFAOYSA-N 1 3 374.529 2.458 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1ccsc1 ZINC000454259303 560436702 /nfs/dbraw/zinc/43/67/02/560436702.db2.gz JZZBUQKGSAXWBJ-USXIJHARSA-N 1 3 350.532 2.477 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1ccsc1 ZINC000454259303 560436703 /nfs/dbraw/zinc/43/67/03/560436703.db2.gz JZZBUQKGSAXWBJ-USXIJHARSA-N 1 3 350.532 2.477 20 0 FEADHO CC1CCN(C[C@H](O)CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455912405 560499986 /nfs/dbraw/zinc/49/99/86/560499986.db2.gz JLFWLTUQCWVRNV-QUCCMNQESA-N 1 3 374.529 2.450 20 0 FEADHO CC[C@@H](C)N1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000456533322 560523456 /nfs/dbraw/zinc/52/34/56/560523456.db2.gz QVCPAUGSDPLBKH-LJQANCHMSA-N 1 3 358.530 2.141 20 0 FEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000457954979 560596284 /nfs/dbraw/zinc/59/62/84/560596284.db2.gz MOHJKQZVHBRWAH-XWTMOSNGSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000457954979 560596285 /nfs/dbraw/zinc/59/62/85/560596285.db2.gz MOHJKQZVHBRWAH-XWTMOSNGSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@@H](CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)N(C)C ZINC000458374299 560618270 /nfs/dbraw/zinc/61/82/70/560618270.db2.gz OGBOSZRBUXPKEJ-IRXDYDNUSA-N 1 3 362.518 2.136 20 0 FEADHO CN(C)C1(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)Cc2ccccc2C1 ZINC000458431449 560622679 /nfs/dbraw/zinc/62/26/79/560622679.db2.gz OKLQMLGPDPIHEB-KRWDZBQOSA-N 1 3 358.530 2.117 20 0 FEADHO CN(C)C1(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)Cc2ccccc2C1 ZINC000458431449 560622681 /nfs/dbraw/zinc/62/26/81/560622681.db2.gz OKLQMLGPDPIHEB-KRWDZBQOSA-N 1 3 358.530 2.117 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000458514777 560628747 /nfs/dbraw/zinc/62/87/47/560628747.db2.gz XWVGCVYZALCHRA-HXUWFJFHSA-N 1 3 366.550 2.003 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000458514777 560628748 /nfs/dbraw/zinc/62/87/48/560628748.db2.gz XWVGCVYZALCHRA-HXUWFJFHSA-N 1 3 366.550 2.003 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CCCC2)[C@H]1Sc1ccccc1 ZINC000459471930 560688291 /nfs/dbraw/zinc/68/82/91/560688291.db2.gz OBJGAFHCEHVNSH-QXCFHYIPSA-N 1 3 350.528 2.371 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000465609345 560869675 /nfs/dbraw/zinc/86/96/75/560869675.db2.gz TZPFNLWSYYUOQO-RBUKOAKNSA-N 1 3 368.566 2.393 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000465609345 560869676 /nfs/dbraw/zinc/86/96/76/560869676.db2.gz TZPFNLWSYYUOQO-RBUKOAKNSA-N 1 3 368.566 2.393 20 0 FEADHO CN(C)C1(CNC(=O)NCC[N@H+](C)C2CCCC2)Cc2ccccc2C1 ZINC000465857011 560874191 /nfs/dbraw/zinc/87/41/91/560874191.db2.gz HEILWOFQRRULQT-UHFFFAOYSA-N 1 3 358.530 2.259 20 0 FEADHO CN(C)C1(CNC(=O)NCC[N@@H+](C)C2CCCC2)Cc2ccccc2C1 ZINC000465857011 560874192 /nfs/dbraw/zinc/87/41/92/560874192.db2.gz HEILWOFQRRULQT-UHFFFAOYSA-N 1 3 358.530 2.259 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000466011069 560877924 /nfs/dbraw/zinc/87/79/24/560877924.db2.gz BQBGPTRCOCVOER-DLBZAZTESA-N 1 3 356.555 2.105 20 0 FEADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000466021063 560878170 /nfs/dbraw/zinc/87/81/70/560878170.db2.gz KAOXCLKCPNLNRO-OALUTQOASA-N 1 3 356.514 2.387 20 0 FEADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000466021063 560878171 /nfs/dbraw/zinc/87/81/71/560878171.db2.gz KAOXCLKCPNLNRO-OALUTQOASA-N 1 3 356.514 2.387 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nc(C)cs1 ZINC000468967853 560943574 /nfs/dbraw/zinc/94/35/74/560943574.db2.gz NAFWEUBGQHLWQV-INIZCTEOSA-N 1 3 352.548 2.259 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nc(C)cs1 ZINC000468967853 560943575 /nfs/dbraw/zinc/94/35/75/560943575.db2.gz NAFWEUBGQHLWQV-INIZCTEOSA-N 1 3 352.548 2.259 20 0 FEADHO CN(C)[C@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)Cc1ccccc1 ZINC000474311988 561070878 /nfs/dbraw/zinc/07/08/78/561070878.db2.gz NLOZHLMHVFCBMF-NRFANRHFSA-N 1 3 351.494 2.278 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000475974219 561108732 /nfs/dbraw/zinc/10/87/32/561108732.db2.gz RVNOPENDMIUJSG-ROUUACIJSA-N 1 3 368.566 2.295 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000475974219 561108733 /nfs/dbraw/zinc/10/87/33/561108733.db2.gz RVNOPENDMIUJSG-ROUUACIJSA-N 1 3 368.566 2.295 20 0 FEADHO CN1CCC[C@H]1CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000476737752 561127447 /nfs/dbraw/zinc/12/74/47/561127447.db2.gz SDIFBCBDHZSEHB-SFHVURJKSA-N 1 3 360.502 2.055 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)N[C@@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000529327050 562369505 /nfs/dbraw/zinc/36/95/05/562369505.db2.gz AGLAZIDCHZAHMU-LJQANCHMSA-N 1 3 372.513 2.243 20 0 FEADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000530024306 562394743 /nfs/dbraw/zinc/39/47/43/562394743.db2.gz LBCNKCGGIKHBJV-ICSRJNTNSA-N 1 3 356.514 2.427 20 0 FEADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000530024306 562394744 /nfs/dbraw/zinc/39/47/44/562394744.db2.gz LBCNKCGGIKHBJV-ICSRJNTNSA-N 1 3 356.514 2.427 20 0 FEADHO Cc1ccc(-n2cccn2)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530503233 562413696 /nfs/dbraw/zinc/41/36/96/562413696.db2.gz SXDKSQNEOWLZMQ-UHFFFAOYSA-N 1 3 358.490 2.138 20 0 FEADHO Cc1cc(NC(=O)NCC[N@H+](C)C2CCCC2)n(C2CCN(C)CC2)n1 ZINC000530712195 562421398 /nfs/dbraw/zinc/42/13/98/562421398.db2.gz MXNDPFDXKRGLRR-UHFFFAOYSA-N 1 3 362.522 2.454 20 0 FEADHO Cc1cc(NC(=O)NCC[N@@H+](C)C2CCCC2)n(C2CCN(C)CC2)n1 ZINC000530712195 562421399 /nfs/dbraw/zinc/42/13/99/562421399.db2.gz MXNDPFDXKRGLRR-UHFFFAOYSA-N 1 3 362.522 2.454 20 0 FEADHO C[C@@H]1CCC[C@](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000531046315 562432952 /nfs/dbraw/zinc/43/29/52/562432952.db2.gz JTOZTQXXHYOEDR-BVYCBKJFSA-N 1 3 373.541 2.250 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1ccc(Br)cc1 ZINC000531134247 562435741 /nfs/dbraw/zinc/43/57/41/562435741.db2.gz BCAUPKWSNPEGPB-UHFFFAOYSA-N 1 3 370.335 2.334 20 0 FEADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000531196395 562437736 /nfs/dbraw/zinc/43/77/36/562437736.db2.gz NEBXAYJTNUYYTO-ZCNNSNEGSA-N 1 3 356.514 2.379 20 0 FEADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000531196395 562437737 /nfs/dbraw/zinc/43/77/37/562437737.db2.gz NEBXAYJTNUYYTO-ZCNNSNEGSA-N 1 3 356.514 2.379 20 0 FEADHO Cc1ccc(Cl)c(O[C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000531357122 562443284 /nfs/dbraw/zinc/44/32/84/562443284.db2.gz XOUZPMHOBIFBNM-OAHLLOKOSA-N 1 3 355.910 2.368 20 0 FEADHO C[C@@H]1CN(CCNCc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000531848990 562458674 /nfs/dbraw/zinc/45/86/74/562458674.db2.gz MKBYIGISRUTMTR-GOSISDBHSA-N 1 3 360.546 2.027 20 0 FEADHO C[C@@H]1CN(CC[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CCO1 ZINC000531848990 562458675 /nfs/dbraw/zinc/45/86/75/562458675.db2.gz MKBYIGISRUTMTR-GOSISDBHSA-N 1 3 360.546 2.027 20 0 FEADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000533047856 562496666 /nfs/dbraw/zinc/49/66/66/562496666.db2.gz RXKNSMJQETVIHL-UXHICEINSA-N 1 3 362.562 2.020 20 0 FEADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000533047856 562496667 /nfs/dbraw/zinc/49/66/67/562496667.db2.gz RXKNSMJQETVIHL-UXHICEINSA-N 1 3 362.562 2.020 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000533047246 562496674 /nfs/dbraw/zinc/49/66/74/562496674.db2.gz GZOSNGIIPYWUTN-IFMALSPDSA-N 1 3 373.541 2.250 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000533047246 562496675 /nfs/dbraw/zinc/49/66/75/562496675.db2.gz GZOSNGIIPYWUTN-IFMALSPDSA-N 1 3 373.541 2.250 20 0 FEADHO CC[NH+](CC)Cc1ccc(CNC(=O)NCCNc2ccncc2)cc1 ZINC000534524655 562536029 /nfs/dbraw/zinc/53/60/29/562536029.db2.gz KTMMBORARAWJIP-UHFFFAOYSA-N 1 3 355.486 2.257 20 0 FEADHO CC(=O)N1CC[C@@H]([NH2+]CCCCN2CCN(C)CC2)c2ccccc2C1 ZINC000540908588 562596449 /nfs/dbraw/zinc/59/64/49/562596449.db2.gz UNARKVLPGFXDAZ-OAQYLSRUSA-N 1 3 358.530 2.097 20 0 FEADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)NC[C@@H](CC)[NH+]2CCCC2)CC1 ZINC000541209280 562606063 /nfs/dbraw/zinc/60/60/63/562606063.db2.gz HVQVMQQZVKTRBH-FUHWJXTLSA-N 1 3 367.534 2.031 20 0 FEADHO COC(=O)c1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)n1C ZINC000602005694 567906203 /nfs/dbraw/zinc/90/62/03/567906203.db2.gz YQHKXRPHZFZTRM-UHFFFAOYSA-N 1 3 371.481 2.058 20 0 FEADHO CSC1(CNCc2cc(C(=O)OC(C)(C)C)nn2C)CC[NH+](C)CC1 ZINC000602666293 568013744 /nfs/dbraw/zinc/01/37/44/568013744.db2.gz GRSVJYNHMAFNIQ-UHFFFAOYSA-N 1 3 368.547 2.292 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000563091524 568092369 /nfs/dbraw/zinc/09/23/69/568092369.db2.gz CEXWRAXRWSRCQX-FQEVSTJZSA-N 1 3 374.529 2.144 20 0 FEADHO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000604198494 568225025 /nfs/dbraw/zinc/22/50/25/568225025.db2.gz VBNJIPNUNBRFSW-MRXNPFEDSA-N 1 3 366.575 2.274 20 0 FEADHO CN1CCC(n2cc(NC(=O)NC3CCC(C[NH+](C)C)CC3)cn2)CC1 ZINC000636960652 568235216 /nfs/dbraw/zinc/23/52/16/568235216.db2.gz ZBIWZOZSJBWYMC-UHFFFAOYSA-N 1 3 362.522 2.392 20 0 FEADHO CC[C@@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C[C@@H](C)O1 ZINC000563373844 674879118 /nfs/dbraw/zinc/87/91/18/674879118.db2.gz LJOQSOHPEMQVTI-VQIMIIECSA-N 1 3 351.535 2.209 20 0 FEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000563758448 674936157 /nfs/dbraw/zinc/93/61/57/674936157.db2.gz BYVFKHKVDNGSLD-INIZCTEOSA-N 1 3 356.580 2.376 20 0 FEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000563758448 674936160 /nfs/dbraw/zinc/93/61/60/674936160.db2.gz BYVFKHKVDNGSLD-INIZCTEOSA-N 1 3 356.580 2.376 20 0 FEADHO C[C@@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)CN1CCN(C)CC1 ZINC000574199701 671213993 /nfs/dbraw/zinc/21/39/93/671213993.db2.gz AWMYEBGRAGOZKV-HKUYNNGSSA-N 1 3 352.567 2.064 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000576218964 671352551 /nfs/dbraw/zinc/35/25/51/671352551.db2.gz IDCBIVSCKMTXQF-AAEUAGOBSA-N 1 3 350.264 2.451 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000576218964 671352556 /nfs/dbraw/zinc/35/25/56/671352556.db2.gz IDCBIVSCKMTXQF-AAEUAGOBSA-N 1 3 350.264 2.451 20 0 FEADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)COc1cccc(Br)c1 ZINC000578979331 671703277 /nfs/dbraw/zinc/70/32/77/671703277.db2.gz BJJXWNSXGORIBT-MRXNPFEDSA-N 1 3 369.303 2.405 20 0 FEADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000192995428 672709279 /nfs/dbraw/zinc/70/92/79/672709279.db2.gz UBBVXWIPSKPIBZ-KRWDZBQOSA-N 1 3 356.555 2.248 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000192995428 672709280 /nfs/dbraw/zinc/70/92/80/672709280.db2.gz UBBVXWIPSKPIBZ-KRWDZBQOSA-N 1 3 356.555 2.248 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(C(F)(F)F)CCC3)CC2)CC1 ZINC000684157272 672909909 /nfs/dbraw/zinc/90/99/09/672909909.db2.gz COJKCQPPWADFCG-UHFFFAOYSA-N 1 3 362.440 2.329 20 0 FEADHO CSC1(CNC(=O)N2CCN(C3CCCCC3)CC2)CC[NH+](C)CC1 ZINC000462510511 673256896 /nfs/dbraw/zinc/25/68/96/673256896.db2.gz CXXRBWZLOZUELO-UHFFFAOYSA-N 1 3 368.591 2.474 20 0 FEADHO CC(C)(C)OC(=O)C1CCC(O)(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000600715502 673793822 /nfs/dbraw/zinc/79/38/22/673793822.db2.gz GQEHZYWRXANDPA-RXCRORICSA-N 1 3 352.519 2.466 20 0 FEADHO CC(C)(C)OC(=O)C1CCC(O)(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000600715502 673793824 /nfs/dbraw/zinc/79/38/24/673793824.db2.gz GQEHZYWRXANDPA-RXCRORICSA-N 1 3 352.519 2.466 20 0 FEADHO CN1CCN(CCC(C)(C)NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000547736857 673884814 /nfs/dbraw/zinc/88/48/14/673884814.db2.gz KDZJIQWKTYIBIV-UHFFFAOYSA-N 1 3 352.567 2.173 20 0 FEADHO CN1CCN(CCC(C)(C)NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000547736857 673884816 /nfs/dbraw/zinc/88/48/16/673884816.db2.gz KDZJIQWKTYIBIV-UHFFFAOYSA-N 1 3 352.567 2.173 20 0 FEADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1conc1C(F)(F)F ZINC000825161019 675639457 /nfs/dbraw/zinc/63/94/57/675639457.db2.gz YITKSKMSZICWJZ-GFCCVEGCSA-N 1 3 362.396 2.182 20 0 FEADHO C[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CCS(=O)(=O)CC1 ZINC000658165016 678063887 /nfs/dbraw/zinc/06/38/87/678063887.db2.gz HGAJXYRRRGWMIR-MRXNPFEDSA-N 1 3 365.543 2.097 20 0 FEADHO Cc1nc(-c2c[nH]c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2)cs1 ZINC000617504004 676288844 /nfs/dbraw/zinc/28/88/44/676288844.db2.gz DXQPWBNEYCBDMI-ZDUSSCGKSA-N 1 3 363.531 2.448 20 0 FEADHO Cc1nc(-c2c[nH]c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2)cs1 ZINC000617504004 676288846 /nfs/dbraw/zinc/28/88/46/676288846.db2.gz DXQPWBNEYCBDMI-ZDUSSCGKSA-N 1 3 363.531 2.448 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000617505517 676289075 /nfs/dbraw/zinc/28/90/75/676289075.db2.gz FYFBFDWBSGWPJD-NUEKZKHPSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000617505517 676289077 /nfs/dbraw/zinc/28/90/77/676289077.db2.gz FYFBFDWBSGWPJD-NUEKZKHPSA-N 1 3 353.457 2.457 20 0 FEADHO C[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000623399134 676533175 /nfs/dbraw/zinc/53/31/75/676533175.db2.gz ZGIZKKCVHBOEOO-HOCLYGCPSA-N 1 3 353.532 2.460 20 0 FEADHO Cc1cc(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ncc1Br ZINC000623416487 676534183 /nfs/dbraw/zinc/53/41/83/676534183.db2.gz WNMHBRAYGNXKFI-CQSZACIVSA-N 1 3 367.335 2.411 20 0 FEADHO COC[C@]1(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)CCCCN1 ZINC000638079174 677139396 /nfs/dbraw/zinc/13/93/96/677139396.db2.gz BUJLFPWESVLWJS-SFHVURJKSA-N 1 3 369.893 2.378 20 0 FEADHO COCC[N@H+](C)CCCC1CCN([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639554162 677161414 /nfs/dbraw/zinc/16/14/14/677161414.db2.gz JLYRSTAANKGVKH-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639554162 677161415 /nfs/dbraw/zinc/16/14/15/677161415.db2.gz JLYRSTAANKGVKH-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(C(F)F)CCCC3)CC2)CC1 ZINC000642092272 677218106 /nfs/dbraw/zinc/21/81/06/677218106.db2.gz UOXVZLBASGNWRK-UHFFFAOYSA-N 1 3 358.477 2.422 20 0 FEADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NCc1cc(F)cc(F)c1 ZINC000647978013 677309887 /nfs/dbraw/zinc/30/98/87/677309887.db2.gz KZNJQDNRFFNCJS-JKSUJKDBSA-N 1 3 351.441 2.293 20 0 FEADHO OC[C@H](c1ccc(Cl)cc1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000649413677 677330719 /nfs/dbraw/zinc/33/07/19/677330719.db2.gz YTKGGJPFNHHPJU-VQIMIIECSA-N 1 3 351.922 2.381 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654657666 677594842 /nfs/dbraw/zinc/59/48/42/677594842.db2.gz CGIBWPBXDUOFJP-MAEOIBBWSA-N 1 3 350.482 2.239 20 0 FEADHO CS(=O)(=O)c1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657537577 678008513 /nfs/dbraw/zinc/00/85/13/678008513.db2.gz PKIOXWBCGUPJGT-UHFFFAOYSA-N 1 3 372.556 2.132 20 0 FEADHO C[NH+](C)CCNC(=O)C1CCN(CCSc2ccc(F)cc2F)CC1 ZINC000660056603 678268346 /nfs/dbraw/zinc/26/83/46/678268346.db2.gz KFUMKAGATKYIEH-UHFFFAOYSA-N 1 3 371.497 2.447 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)[C@H](C)C1 ZINC000660307305 678321926 /nfs/dbraw/zinc/32/19/26/678321926.db2.gz WELWJHQXFVFUCH-HVMFNXBNSA-N 1 3 351.535 2.160 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H](CCF)C3)CC2)CC1 ZINC000660572391 678359160 /nfs/dbraw/zinc/35/91/60/678359160.db2.gz BVSXAXGERFAUOA-MRXNPFEDSA-N 1 3 354.514 2.326 20 0 FEADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NCc1cc(F)cc(F)c1 ZINC000662294579 678601097 /nfs/dbraw/zinc/60/10/97/678601097.db2.gz CMZIUQXZFNFDGU-MRXNPFEDSA-N 1 3 351.441 2.293 20 0 FEADHO CN(C)S(=O)(=O)c1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662292472 678601164 /nfs/dbraw/zinc/60/11/64/678601164.db2.gz NDHXDYSELFGIMS-GOSISDBHSA-N 1 3 365.543 2.149 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2ccc(F)cc2C1 ZINC000665760803 678982215 /nfs/dbraw/zinc/98/22/15/678982215.db2.gz PIHUNUCACZDMAH-HNNXBMFYSA-N 1 3 350.482 2.165 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2ccc(F)cc2C1 ZINC000665760803 678982217 /nfs/dbraw/zinc/98/22/17/678982217.db2.gz PIHUNUCACZDMAH-HNNXBMFYSA-N 1 3 350.482 2.165 20 0 FEADHO CSc1ccc([O-])c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000668667112 679192667 /nfs/dbraw/zinc/19/26/67/679192667.db2.gz SKLWNLPZKXZGTD-UHFFFAOYSA-N 1 3 353.532 2.460 20 0 FEADHO CC[C@H]1CN(C(=O)NCC2(N3CCSCC3)CCCC2)CC[C@H]1[NH3+] ZINC000669389551 679231804 /nfs/dbraw/zinc/23/18/04/679231804.db2.gz SCVIGKDPHYOJIZ-JKSUJKDBSA-N 1 3 354.564 2.117 20 0 FEADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000670126549 679271834 /nfs/dbraw/zinc/27/18/34/679271834.db2.gz IMWXZEAGPFVVAQ-DOTOQJQBSA-N 1 3 350.894 2.479 20 0 FEADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000670126549 679271837 /nfs/dbraw/zinc/27/18/37/679271837.db2.gz IMWXZEAGPFVVAQ-DOTOQJQBSA-N 1 3 350.894 2.479 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCOC3CCC3)CC2(C)C)CC[N@@H+]1C ZINC000974601991 679962275 /nfs/dbraw/zinc/96/22/75/679962275.db2.gz VESKNOSRBWKBLS-RCCFBDPRSA-N 1 3 351.535 2.112 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCOC3CCC3)CC2(C)C)CC[N@H+]1C ZINC000974601991 679962278 /nfs/dbraw/zinc/96/22/78/679962278.db2.gz VESKNOSRBWKBLS-RCCFBDPRSA-N 1 3 351.535 2.112 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(CCc2ccns2)CC3)CC[N@@H+]1C ZINC000990791928 680073997 /nfs/dbraw/zinc/07/39/97/680073997.db2.gz PNDITJZRWCWOKE-NWGLXNPWSA-N 1 3 362.543 2.139 20 0 FEADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(CCc2ccns2)CC3)CC[N@H+]1C ZINC000990791928 680074001 /nfs/dbraw/zinc/07/40/01/680074001.db2.gz PNDITJZRWCWOKE-NWGLXNPWSA-N 1 3 362.543 2.139 20 0 FEADHO COc1cccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1Cl ZINC001020172362 680102125 /nfs/dbraw/zinc/10/21/25/680102125.db2.gz ZLBGIDXEACHMSY-DTZQCDIJSA-N 1 3 365.905 2.426 20 0 FEADHO COc1cccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1Cl ZINC001020172362 680102130 /nfs/dbraw/zinc/10/21/30/680102130.db2.gz ZLBGIDXEACHMSY-DTZQCDIJSA-N 1 3 365.905 2.426 20 0 FEADHO Cc1ncsc1CN1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023378514 680258457 /nfs/dbraw/zinc/25/84/57/680258457.db2.gz AZEMKRCYYARXNO-BZUAXINKSA-N 1 3 350.532 2.120 20 0 FEADHO Cc1ncsc1CN1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023378514 680258460 /nfs/dbraw/zinc/25/84/60/680258460.db2.gz AZEMKRCYYARXNO-BZUAXINKSA-N 1 3 350.532 2.120 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3cncs3)C(C)(C)C2)CC[N@@H+]1C ZINC000995842108 680307055 /nfs/dbraw/zinc/30/70/55/680307055.db2.gz RUHOSBWONOMHHE-XHSDSOJGSA-N 1 3 350.532 2.200 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3cncs3)C(C)(C)C2)CC[N@H+]1C ZINC000995842108 680307058 /nfs/dbraw/zinc/30/70/58/680307058.db2.gz RUHOSBWONOMHHE-XHSDSOJGSA-N 1 3 350.532 2.200 20 0 FEADHO Cc1nc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)sc1C ZINC000996609830 680337207 /nfs/dbraw/zinc/33/72/07/680337207.db2.gz WWRCCGQVSKGQAW-CZUORRHYSA-N 1 3 350.532 2.181 20 0 FEADHO Cc1nc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)sc1C ZINC000996609830 680337210 /nfs/dbraw/zinc/33/72/10/680337210.db2.gz WWRCCGQVSKGQAW-CZUORRHYSA-N 1 3 350.532 2.181 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3cc(F)cc(F)c3)C2)CC[N@@H+]1C ZINC000999190444 680398077 /nfs/dbraw/zinc/39/80/77/680398077.db2.gz RDFOASYSUIEIHE-JEBQAFNWSA-N 1 3 351.441 2.386 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3cc(F)cc(F)c3)C2)CC[N@H+]1C ZINC000999190444 680398081 /nfs/dbraw/zinc/39/80/81/680398081.db2.gz RDFOASYSUIEIHE-JEBQAFNWSA-N 1 3 351.441 2.386 20 0 FEADHO Cc1cc(CN(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)sn1 ZINC000985443382 680449113 /nfs/dbraw/zinc/44/91/13/680449113.db2.gz YXJOMYOVKPBDNV-RHSMWYFYSA-N 1 3 350.532 2.215 20 0 FEADHO Cc1cc(CN(C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)sn1 ZINC000985443382 680449115 /nfs/dbraw/zinc/44/91/15/680449115.db2.gz YXJOMYOVKPBDNV-RHSMWYFYSA-N 1 3 350.532 2.215 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCc3scnc3C)CC2)CC[N@@H+]1C ZINC001002859882 680511639 /nfs/dbraw/zinc/51/16/39/680511639.db2.gz UOJDJDVXBNKDQC-DLBZAZTESA-N 1 3 364.559 2.305 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCc3scnc3C)CC2)CC[N@H+]1C ZINC001002859882 680511643 /nfs/dbraw/zinc/51/16/43/680511643.db2.gz UOJDJDVXBNKDQC-DLBZAZTESA-N 1 3 364.559 2.305 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(CCOC3CCC3)CC2)CC[N@@H+]1C ZINC001005414893 680574893 /nfs/dbraw/zinc/57/48/93/680574893.db2.gz ISWAJYVTOZBWQQ-RBUKOAKNSA-N 1 3 351.535 2.209 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(CCOC3CCC3)CC2)CC[N@H+]1C ZINC001005414893 680574895 /nfs/dbraw/zinc/57/48/95/680574895.db2.gz ISWAJYVTOZBWQQ-RBUKOAKNSA-N 1 3 351.535 2.209 20 0 FEADHO COc1ccccc1[C@@H](N)CNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841846701 680914674 /nfs/dbraw/zinc/91/46/74/680914674.db2.gz SPONOHQKFBLPHG-GJZGRUSLSA-N 1 3 362.861 2.258 20 0 FEADHO [NH3+]CCCCCCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000842472548 680949326 /nfs/dbraw/zinc/94/93/26/680949326.db2.gz ZZMPOGSHIISISR-UHFFFAOYSA-N 1 3 371.522 2.478 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3CCc2ccns2)CC[N@@H+]1C ZINC001049488193 681033393 /nfs/dbraw/zinc/03/33/93/681033393.db2.gz XQYUTXQIPJTCLD-BGTYHANMSA-N 1 3 362.543 2.091 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3CCc2ccns2)CC[N@H+]1C ZINC001049488193 681033394 /nfs/dbraw/zinc/03/33/94/681033394.db2.gz XQYUTXQIPJTCLD-BGTYHANMSA-N 1 3 362.543 2.091 20 0 FEADHO CN1CCC(NC(=S)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000774274994 681176527 /nfs/dbraw/zinc/17/65/27/681176527.db2.gz XOURGFVPFPIDFW-LJQANCHMSA-N 1 3 360.571 2.455 20 0 FEADHO CN1CCC(NC(=S)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000774274994 681176529 /nfs/dbraw/zinc/17/65/29/681176529.db2.gz XOURGFVPFPIDFW-LJQANCHMSA-N 1 3 360.571 2.455 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(F)F)c(OC)c1 ZINC000849057668 681648729 /nfs/dbraw/zinc/64/87/29/681648729.db2.gz TVCCDAAPLXZUFB-ZDUSSCGKSA-N 1 3 356.417 2.395 20 0 FEADHO Cc1nc2c(s1)[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCC2 ZINC000853972207 682496717 /nfs/dbraw/zinc/49/67/17/682496717.db2.gz UVNPKYNGCYTWNZ-XJKSGUPXSA-N 1 3 367.563 2.400 20 0 FEADHO Cc1nc2c(s1)[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCC2 ZINC000853972207 682496718 /nfs/dbraw/zinc/49/67/18/682496718.db2.gz UVNPKYNGCYTWNZ-XJKSGUPXSA-N 1 3 367.563 2.400 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccnc(F)c3F)CC2)CC1 ZINC000856911800 682826363 /nfs/dbraw/zinc/82/63/63/682826363.db2.gz XTATYQMWMUFKKJ-UHFFFAOYSA-N 1 3 353.417 2.040 20 0 FEADHO C[C@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(C[NH+](C)C)c1 ZINC000926414665 683122372 /nfs/dbraw/zinc/12/23/72/683122372.db2.gz JFMFDFYTXZSWCI-YJBOKZPZSA-N 1 3 353.532 2.213 20 0 FEADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000927638279 683281741 /nfs/dbraw/zinc/28/17/41/683281741.db2.gz PZWGDHXGRSNPDQ-SFHVURJKSA-N 1 3 354.539 2.003 20 0 FEADHO CC(C)N1CCN(C2CC[NH+](CCOC3CCSCC3)CC2)CC1 ZINC000930129654 683681991 /nfs/dbraw/zinc/68/19/91/683681991.db2.gz ATUPPLUMAYFKAO-UHFFFAOYSA-N 1 3 355.592 2.389 20 0 FEADHO CC1([NH+]2CCCC2)CCC(NCc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000922504542 683737277 /nfs/dbraw/zinc/73/72/77/683737277.db2.gz OEZFGQDLEFGPPO-UHFFFAOYSA-N 1 3 369.506 2.360 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC(C)(C)OC1(C)C ZINC000923199280 684239746 /nfs/dbraw/zinc/23/97/46/684239746.db2.gz PBSVZUFPGNEWMV-JKSUJKDBSA-N 1 3 356.555 2.151 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC(C)(C)OC1(C)C ZINC000923199280 684239749 /nfs/dbraw/zinc/23/97/49/684239749.db2.gz PBSVZUFPGNEWMV-JKSUJKDBSA-N 1 3 356.555 2.151 20 0 FEADHO O[C@@]1(CNCCOC(F)(F)C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000872244532 684931225 /nfs/dbraw/zinc/93/12/25/684931225.db2.gz MZHMMIHTUMHGHI-CQSZACIVSA-N 1 3 368.346 2.385 20 0 FEADHO O[C@@]1(CNCCOC(F)(F)C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000872244532 684931229 /nfs/dbraw/zinc/93/12/29/684931229.db2.gz MZHMMIHTUMHGHI-CQSZACIVSA-N 1 3 368.346 2.385 20 0 FEADHO [NH3+]C[C@@H]1[C@H](C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1(F)F ZINC000876743233 686258435 /nfs/dbraw/zinc/25/84/35/686258435.db2.gz COZJZBAXFXIHDY-HUUCEWRRSA-N 1 3 355.454 2.056 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876743543 686258473 /nfs/dbraw/zinc/25/84/73/686258473.db2.gz HMLBUAKGIQVBOX-NVXWUHKLSA-N 1 3 351.491 2.164 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876849968 686281604 /nfs/dbraw/zinc/28/16/04/686281604.db2.gz DDJVHRIEVDYXOM-VFADXPBXSA-N 1 3 351.441 2.411 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc(Cl)n1 ZINC000877010384 686309860 /nfs/dbraw/zinc/30/98/60/686309860.db2.gz WXZVYECXEYBLQK-YESZJQIVSA-N 1 3 358.873 2.305 20 0 FEADHO COCCN(Cc1ccc(/C=C/C(=O)OC)o1)CC1CC[NH+](C)CC1 ZINC000877664774 686432428 /nfs/dbraw/zinc/43/24/28/686432428.db2.gz WGULSCQFMIMISV-VOTSOKGWSA-N 1 3 350.459 2.256 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)CC2(O)CCCCC2)[C@H](C)C1 ZINC000878446723 686586959 /nfs/dbraw/zinc/58/69/59/686586959.db2.gz IBFWJMJKOUPPLT-QRVBRYPASA-N 1 3 356.551 2.159 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)CC2(O)CCCCC2)[C@H](C)C1 ZINC000878446723 686586965 /nfs/dbraw/zinc/58/69/65/686586965.db2.gz IBFWJMJKOUPPLT-QRVBRYPASA-N 1 3 356.551 2.159 20 0 FEADHO CC(C)[NH+]1CCN(CCCN2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC000880063363 686990858 /nfs/dbraw/zinc/99/08/58/686990858.db2.gz ZTQLPKDNXCYSBH-HOTGVXAUSA-N 1 3 351.457 2.444 20 0 FEADHO O=C1N[C@@H]2CN(CC[C@H]3CCCC3(F)F)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000883433070 687629187 /nfs/dbraw/zinc/62/91/87/687629187.db2.gz HTDASGJBUUMOIW-BMFZPTHFSA-N 1 3 356.461 2.032 20 0 FEADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)N(C)C)cc1 ZINC000891446043 689063090 /nfs/dbraw/zinc/06/30/90/689063090.db2.gz LPORMZFBQQUMRI-JKSUJKDBSA-N 1 3 354.445 2.142 20 0 FEADHO CCN(C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000891865646 689119268 /nfs/dbraw/zinc/11/92/68/689119268.db2.gz RXZIPIQWBTWFRB-SHARSMKWSA-N 1 3 362.440 2.185 20 0 FEADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000894415268 689527622 /nfs/dbraw/zinc/52/76/22/689527622.db2.gz ZIUZLVXTCROBHJ-WMZOPIPTSA-N 1 3 359.580 2.195 20 0 FEADHO CCOC(=O)c1ncc(CNCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000895307749 689692822 /nfs/dbraw/zinc/69/28/22/689692822.db2.gz DTUAOFDDGBUDHM-UHFFFAOYSA-N 1 3 367.515 2.300 20 0 FEADHO CN(c1cccc(C[NH2+][C@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1)S(C)(=O)=O ZINC000903424454 690892120 /nfs/dbraw/zinc/89/21/20/690892120.db2.gz VQGARVBQDCSWBH-FGTMMUONSA-N 1 3 351.516 2.045 20 0 FEADHO COc1cc(CN(C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)ccc1OC(F)F ZINC000903718150 690966438 /nfs/dbraw/zinc/96/64/38/690966438.db2.gz HLWKDPFWLSDNPU-KDOFPFPSSA-N 1 3 356.413 2.497 20 0 FEADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(CN)ncn1)CC2 ZINC001164792891 721493344 /nfs/dbraw/zinc/49/33/44/721493344.db2.gz UTHAUXBKPLESFU-UHFFFAOYSA-N 1 3 352.486 2.211 20 0 FEADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(CN)ncn1)CC2 ZINC001164792891 721493347 /nfs/dbraw/zinc/49/33/47/721493347.db2.gz UTHAUXBKPLESFU-UHFFFAOYSA-N 1 3 352.486 2.211 20 0 FEADHO CN(C)c1cc[nH+]c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982102 722115261 /nfs/dbraw/zinc/11/52/61/722115261.db2.gz VXWANBXMACZHSQ-UYAOXDASSA-N 1 3 367.497 2.270 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc4c(c3)CCC4)CC2)CC1 ZINC000050802634 540415657 /nfs/dbraw/zinc/41/56/57/540415657.db2.gz XYSAGXUNSOKOIM-UHFFFAOYSA-N 1 3 355.526 2.393 20 0 FEADHO COc1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000051236005 540428038 /nfs/dbraw/zinc/42/80/38/540428038.db2.gz WTWZBKOEXYDXER-UHFFFAOYSA-N 1 3 360.502 2.053 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000051280868 540429456 /nfs/dbraw/zinc/42/94/56/540429456.db2.gz GVNIMIWWYWJLFE-WOJBJXKFSA-N 1 3 356.514 2.400 20 0 FEADHO C[C@H](c1ccncc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761218 540443328 /nfs/dbraw/zinc/44/33/28/540443328.db2.gz PRCXUVIIPGMYCE-MRXNPFEDSA-N 1 3 359.518 2.343 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC000054510821 540593179 /nfs/dbraw/zinc/59/31/79/540593179.db2.gz NYMCJBHPFIZJES-QGZVFWFLSA-N 1 3 350.507 2.393 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC000054510821 540593181 /nfs/dbraw/zinc/59/31/81/540593181.db2.gz NYMCJBHPFIZJES-QGZVFWFLSA-N 1 3 350.507 2.393 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H](C)[N@H+](C)C3CC3)cc2)CC1 ZINC000057700677 540809263 /nfs/dbraw/zinc/80/92/63/540809263.db2.gz ROQAMTNHWOMBJF-QGZVFWFLSA-N 1 3 358.530 2.430 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)cc2)CC1 ZINC000057700677 540809265 /nfs/dbraw/zinc/80/92/65/540809265.db2.gz ROQAMTNHWOMBJF-QGZVFWFLSA-N 1 3 358.530 2.430 20 0 FEADHO COCCN(C)CCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000061522188 541131738 /nfs/dbraw/zinc/13/17/38/541131738.db2.gz ROMWIQHOMMILNH-UHFFFAOYSA-N 1 3 362.518 2.050 20 0 FEADHO CN1CCN(CCCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063739062 541183164 /nfs/dbraw/zinc/18/31/64/541183164.db2.gz XQZCFIQKKFZWND-UHFFFAOYSA-N 1 3 372.557 2.042 20 0 FEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCC[N@H+](C)CCOC ZINC000067390989 541454370 /nfs/dbraw/zinc/45/43/70/541454370.db2.gz FPRNGRFBLFQINS-UHFFFAOYSA-N 1 3 364.534 2.248 20 0 FEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCC[N@@H+](C)CCOC ZINC000067390989 541454372 /nfs/dbraw/zinc/45/43/72/541454372.db2.gz FPRNGRFBLFQINS-UHFFFAOYSA-N 1 3 364.534 2.248 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)N2CCCC2)cc1 ZINC000068598630 541613264 /nfs/dbraw/zinc/61/32/64/541613264.db2.gz LYCXQZYBMRMAIZ-QFBILLFUSA-N 1 3 362.518 2.472 20 0 FEADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000072859550 541884238 /nfs/dbraw/zinc/88/42/38/541884238.db2.gz BZDOEPWGPRKMPS-ZDUSSCGKSA-N 1 3 366.893 2.041 20 0 FEADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000072859550 541884241 /nfs/dbraw/zinc/88/42/41/541884241.db2.gz BZDOEPWGPRKMPS-ZDUSSCGKSA-N 1 3 366.893 2.041 20 0 FEADHO Cc1c[nH+]ccc1N1CCC(C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000073427306 541952539 /nfs/dbraw/zinc/95/25/39/541952539.db2.gz KNFZOJNHLAGDCF-LJQANCHMSA-N 1 3 374.529 2.176 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000074495160 542089676 /nfs/dbraw/zinc/08/96/76/542089676.db2.gz CYNCLPORDGZCLB-ZIFCJYIRSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000074495160 542089681 /nfs/dbraw/zinc/08/96/81/542089681.db2.gz CYNCLPORDGZCLB-ZIFCJYIRSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000074493944 542089866 /nfs/dbraw/zinc/08/98/66/542089866.db2.gz ZZCCJYVYUQLVCK-HXUWFJFHSA-N 1 3 373.545 2.214 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000074493944 542089869 /nfs/dbraw/zinc/08/98/69/542089869.db2.gz ZZCCJYVYUQLVCK-HXUWFJFHSA-N 1 3 373.545 2.214 20 0 FEADHO CC[NH+]1CCC(CCNC(=O)N2CCCN(C3CCOCC3)CC2)CC1 ZINC000074734410 542115753 /nfs/dbraw/zinc/11/57/53/542115753.db2.gz JURNESHPNNUBIA-UHFFFAOYSA-N 1 3 366.550 2.005 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000077757672 542416098 /nfs/dbraw/zinc/41/60/98/542416098.db2.gz SQUIFMRDCCHMKN-UHFFFAOYSA-N 1 3 360.424 2.340 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000081230999 542639543 /nfs/dbraw/zinc/63/95/43/542639543.db2.gz QBVUUGKEVJPSMH-UHFFFAOYSA-N 1 3 358.530 2.109 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000085356606 542725180 /nfs/dbraw/zinc/72/51/80/542725180.db2.gz SQAPGEMNPGEWCU-RTBURBONSA-N 1 3 360.502 2.201 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000085356606 542725185 /nfs/dbraw/zinc/72/51/85/542725185.db2.gz SQAPGEMNPGEWCU-RTBURBONSA-N 1 3 360.502 2.201 20 0 FEADHO C[C@H](O)[C@@H]1CCCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000089928435 542775368 /nfs/dbraw/zinc/77/53/68/542775368.db2.gz UKDJTEFIFZEEFS-CMKODMSKSA-N 1 3 373.541 2.249 20 0 FEADHO COCCC[N@H+](C)CCNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000092396793 542861448 /nfs/dbraw/zinc/86/14/48/542861448.db2.gz OOMNHXXHJKKEEX-UHFFFAOYSA-N 1 3 368.953 2.150 20 0 FEADHO COCCC[N@@H+](C)CCNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000092396793 542861450 /nfs/dbraw/zinc/86/14/50/542861450.db2.gz OOMNHXXHJKKEEX-UHFFFAOYSA-N 1 3 368.953 2.150 20 0 FEADHO C[C@H](C(=O)NC[C@H]1CCCO1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821123 542889079 /nfs/dbraw/zinc/88/90/79/542889079.db2.gz OFKMDEUETJASGM-YLJYHZDGSA-N 1 3 374.529 2.304 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000103212632 543097468 /nfs/dbraw/zinc/09/74/68/543097468.db2.gz WEYIPKCZQHONED-UHFFFAOYSA-N 1 3 372.469 2.097 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cc(F)ccc3F)CC2)CC1 ZINC000104796614 543144715 /nfs/dbraw/zinc/14/47/15/543144715.db2.gz JELSUKHKKUUVLT-UHFFFAOYSA-N 1 3 366.456 2.323 20 0 FEADHO CCOc1c(OC)cc(CNCCC[N@@H+]2CCCN(C)CC2)cc1OC ZINC000105476337 543174217 /nfs/dbraw/zinc/17/42/17/543174217.db2.gz VNLLWSRDOGRCJD-UHFFFAOYSA-N 1 3 365.518 2.220 20 0 FEADHO CCOc1c(OC)cc(CNCCC[N@H+]2CCCN(C)CC2)cc1OC ZINC000105476337 543174221 /nfs/dbraw/zinc/17/42/21/543174221.db2.gz VNLLWSRDOGRCJD-UHFFFAOYSA-N 1 3 365.518 2.220 20 0 FEADHO CN1CCC[N@H+](CCCNCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000105477058 543174461 /nfs/dbraw/zinc/17/44/61/543174461.db2.gz NRCNUTNGZZXTLG-UHFFFAOYSA-N 1 3 353.894 2.228 20 0 FEADHO CN1CCC[N@@H+](CCCNCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000105477058 543174463 /nfs/dbraw/zinc/17/44/63/543174463.db2.gz NRCNUTNGZZXTLG-UHFFFAOYSA-N 1 3 353.894 2.228 20 0 FEADHO CCN(CC)[C@H](C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000109151393 543316112 /nfs/dbraw/zinc/31/61/12/543316112.db2.gz UQOBQKMGVMLTQJ-QUCCMNQESA-N 1 3 360.546 2.069 20 0 FEADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(C(=O)OC)cc2)CC1 ZINC000109786584 543339327 /nfs/dbraw/zinc/33/93/27/543339327.db2.gz BACGBTDNHCIEQS-GOSISDBHSA-N 1 3 364.486 2.019 20 0 FEADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(C(=O)OC)cc2)CC1 ZINC000109786584 543339329 /nfs/dbraw/zinc/33/93/29/543339329.db2.gz BACGBTDNHCIEQS-GOSISDBHSA-N 1 3 364.486 2.019 20 0 FEADHO C[NH+](C)[C@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000111573322 543407325 /nfs/dbraw/zinc/40/73/25/543407325.db2.gz PYPLSSKQVUFOIR-HXUWFJFHSA-N 1 3 358.530 2.045 20 0 FEADHO C[C@H]1CCC[C@H](OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000112632638 543454763 /nfs/dbraw/zinc/45/47/63/543454763.db2.gz WEKWTFXDIHTVKP-LPHOPBHVSA-N 1 3 351.535 2.257 20 0 FEADHO CCN(C)[C@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC000114381380 543512773 /nfs/dbraw/zinc/51/27/73/543512773.db2.gz YXTCHZBJAKVMCF-FQEVSTJZSA-N 1 3 360.546 2.069 20 0 FEADHO CCN(C)[C@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000114381380 543512775 /nfs/dbraw/zinc/51/27/75/543512775.db2.gz YXTCHZBJAKVMCF-FQEVSTJZSA-N 1 3 360.546 2.069 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000115794949 543585821 /nfs/dbraw/zinc/58/58/21/543585821.db2.gz NUNOWMKIKFYGFF-GOSISDBHSA-N 1 3 362.518 2.110 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000115794949 543585822 /nfs/dbraw/zinc/58/58/22/543585822.db2.gz NUNOWMKIKFYGFF-GOSISDBHSA-N 1 3 362.518 2.110 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)nc1C ZINC000124254752 543810077 /nfs/dbraw/zinc/81/00/77/543810077.db2.gz IXZSFFYLYWEHFD-MRXNPFEDSA-N 1 3 363.506 2.278 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)nc1C ZINC000124254752 543810080 /nfs/dbraw/zinc/81/00/80/543810080.db2.gz IXZSFFYLYWEHFD-MRXNPFEDSA-N 1 3 363.506 2.278 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CN1C1CC1 ZINC000124719524 543838323 /nfs/dbraw/zinc/83/83/23/543838323.db2.gz QPMRJJWFNDDEHP-FUHWJXTLSA-N 1 3 374.529 2.442 20 0 FEADHO Cc1cc(C)cc(OC[C@H](O)CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000126478067 543938743 /nfs/dbraw/zinc/93/87/43/543938743.db2.gz OBGOGRSIRWFUNV-HXUWFJFHSA-N 1 3 363.546 2.001 20 0 FEADHO CC[N@@H+]1CCC[C@H](NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000133855061 544285817 /nfs/dbraw/zinc/28/58/17/544285817.db2.gz ZGBSRXABYYNUOI-LPHOPBHVSA-N 1 3 359.518 2.391 20 0 FEADHO CC[N@H+]1CCC[C@H](NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000133855061 544285818 /nfs/dbraw/zinc/28/58/18/544285818.db2.gz ZGBSRXABYYNUOI-LPHOPBHVSA-N 1 3 359.518 2.391 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)NCCCN2CCC(O)CC2)cc1)C1CC1 ZINC000136123479 544367147 /nfs/dbraw/zinc/36/71/47/544367147.db2.gz NIMQMDLTOIMPOZ-UHFFFAOYSA-N 1 3 359.514 2.248 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)NCCCN2CCC(O)CC2)cc1)C1CC1 ZINC000136123479 544367149 /nfs/dbraw/zinc/36/71/49/544367149.db2.gz NIMQMDLTOIMPOZ-UHFFFAOYSA-N 1 3 359.514 2.248 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000138609532 544397229 /nfs/dbraw/zinc/39/72/29/544397229.db2.gz UOIINFJTMDNGDJ-UHFFFAOYSA-N 1 3 366.550 2.147 20 0 FEADHO [NH3+][C@@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000152061838 544610750 /nfs/dbraw/zinc/61/07/50/544610750.db2.gz GYGYZLQRERDLFU-NRFANRHFSA-N 1 3 366.509 2.405 20 0 FEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000154228592 544878609 /nfs/dbraw/zinc/87/86/09/544878609.db2.gz XJGDMGQOTSKBHK-YAJHFMINSA-N 1 3 359.514 2.414 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000154536360 544919156 /nfs/dbraw/zinc/91/91/56/544919156.db2.gz HGXRHSFTRNBMIS-RBBKRZOGSA-N 1 3 373.589 2.299 20 0 FEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000154914138 544965099 /nfs/dbraw/zinc/96/50/99/544965099.db2.gz YYPBVEVPNPOULX-NTDBWNAOSA-N 1 3 351.535 2.112 20 0 FEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000154914138 544965103 /nfs/dbraw/zinc/96/51/03/544965103.db2.gz YYPBVEVPNPOULX-NTDBWNAOSA-N 1 3 351.535 2.112 20 0 FEADHO CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000187722598 328042026 /nfs/dbraw/zinc/04/20/26/328042026.db2.gz XUCSIAJOEGVTHW-UHFFFAOYSA-N 1 3 372.513 2.164 20 0 FEADHO [NH3+][C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000191372266 328262418 /nfs/dbraw/zinc/26/24/18/328262418.db2.gz WVFOUODSSQZNIO-WBVHZDCISA-N 1 3 355.404 2.391 20 0 FEADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000237338232 328512837 /nfs/dbraw/zinc/51/28/37/328512837.db2.gz OLXLZZAJRJTENV-QUCCMNQESA-N 1 3 358.530 2.317 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000079173819 325079780 /nfs/dbraw/zinc/07/97/80/325079780.db2.gz VBPGQVBJAFVRHW-UHFFFAOYSA-N 1 3 374.529 2.397 20 0 FEADHO C[C@H](CNC(=O)NCc1ccc(OCCN(C)C)cc1)C[NH+]1CCCC1 ZINC000079988289 325113077 /nfs/dbraw/zinc/11/30/77/325113077.db2.gz OWVVVCFCZABCTO-QGZVFWFLSA-N 1 3 362.518 2.158 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000080008300 325113531 /nfs/dbraw/zinc/11/35/31/325113531.db2.gz VOWJHMWRTSETDP-INIZCTEOSA-N 1 3 362.493 2.383 20 0 FEADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000080008300 325113533 /nfs/dbraw/zinc/11/35/33/325113533.db2.gz VOWJHMWRTSETDP-INIZCTEOSA-N 1 3 362.493 2.383 20 0 FEADHO CC(C)C[C@@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000081395520 325172594 /nfs/dbraw/zinc/17/25/94/325172594.db2.gz SJDQJCUITITLEF-FQEVSTJZSA-N 1 3 360.546 2.291 20 0 FEADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000237721180 328526209 /nfs/dbraw/zinc/52/62/09/328526209.db2.gz OGEJNDUGFLRMSF-OAQYLSRUSA-N 1 3 358.530 2.013 20 0 FEADHO C[C@H](NCCCC[NH+]1CCC(C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000091286691 325384883 /nfs/dbraw/zinc/38/48/83/325384883.db2.gz WOOKMZIMFLJPKF-INIZCTEOSA-N 1 3 353.532 2.497 20 0 FEADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000118097715 326080497 /nfs/dbraw/zinc/08/04/97/326080497.db2.gz VARLGFFVNFIQGQ-LJQANCHMSA-N 1 3 372.513 2.212 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2)CC1 ZINC000118769371 326101470 /nfs/dbraw/zinc/10/14/70/326101470.db2.gz IJRYPBCZHGLBGS-UHFFFAOYSA-N 1 3 358.530 2.434 20 0 FEADHO Cc1cccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1Br ZINC000118976112 326114663 /nfs/dbraw/zinc/11/46/63/326114663.db2.gz DHEXDTLELREWBH-UHFFFAOYSA-N 1 3 356.308 2.323 20 0 FEADHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1Br ZINC000118976540 326114670 /nfs/dbraw/zinc/11/46/70/326114670.db2.gz JLWXOFKEPUCGIV-UHFFFAOYSA-N 1 3 356.308 2.323 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000119074404 326124338 /nfs/dbraw/zinc/12/43/38/326124338.db2.gz JDPMYYXKGQNQQE-UTKZUKDTSA-N 1 3 373.541 2.303 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000119074404 326124340 /nfs/dbraw/zinc/12/43/40/326124340.db2.gz JDPMYYXKGQNQQE-UTKZUKDTSA-N 1 3 373.541 2.303 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CC[N@H+](C)C[C@@H]2C)s1 ZINC000119372753 326155018 /nfs/dbraw/zinc/15/50/18/326155018.db2.gz SZUNEJINJUWASC-GOEBONIOSA-N 1 3 373.588 2.251 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000119372753 326155021 /nfs/dbraw/zinc/15/50/21/326155021.db2.gz SZUNEJINJUWASC-GOEBONIOSA-N 1 3 373.588 2.251 20 0 FEADHO CN(C)Cc1ccc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000120103553 326230892 /nfs/dbraw/zinc/23/08/92/326230892.db2.gz RYKXQILJZRYIIM-UHFFFAOYSA-N 1 3 358.530 2.037 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@@]2(C)CCC[NH2+]C2)CCOCC1)c1ccccc1 ZINC000120362625 326252523 /nfs/dbraw/zinc/25/25/23/326252523.db2.gz ZMQUCAYAGPDLMP-PXNSSMCTSA-N 1 3 359.514 2.392 20 0 FEADHO CC(C)CN1CCN(c2cc(N3CCN(CC(C)C)CC3)ncn2)CC1 ZINC000120579638 326270049 /nfs/dbraw/zinc/27/00/49/326270049.db2.gz PJGQJVSIFBUUMA-UHFFFAOYSA-N 1 3 360.550 2.033 20 0 FEADHO CC(C)CN1CCN(c2cc(N3CC[NH+](CC(C)C)CC3)ncn2)CC1 ZINC000120579638 326270050 /nfs/dbraw/zinc/27/00/50/326270050.db2.gz PJGQJVSIFBUUMA-UHFFFAOYSA-N 1 3 360.550 2.033 20 0 FEADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000120768665 326286771 /nfs/dbraw/zinc/28/67/71/326286771.db2.gz SHDFOLFXJZHCKP-NHCUHLMSSA-N 1 3 373.541 2.494 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000121651757 326354873 /nfs/dbraw/zinc/35/48/73/326354873.db2.gz XFRVWABISDYXNW-AQNXPRMDSA-N 1 3 371.525 2.415 20 0 FEADHO C[C@@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000122264757 326390252 /nfs/dbraw/zinc/39/02/52/326390252.db2.gz WOYPQNOBJSJCPJ-QRVBRYPASA-N 1 3 372.557 2.312 20 0 FEADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000150948283 326671660 /nfs/dbraw/zinc/67/16/60/326671660.db2.gz NOTTXLPAIDLEST-INIZCTEOSA-N 1 3 360.502 2.320 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000154219542 326754229 /nfs/dbraw/zinc/75/42/29/326754229.db2.gz SHSJSUVTMICJLO-KRWDZBQOSA-N 1 3 360.502 2.321 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000161684050 327006050 /nfs/dbraw/zinc/00/60/50/327006050.db2.gz IALBKTIRIWQRPO-IAGOWNOFSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000161684050 327006051 /nfs/dbraw/zinc/00/60/51/327006051.db2.gz IALBKTIRIWQRPO-IAGOWNOFSA-N 1 3 354.539 2.002 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000168902463 327087579 /nfs/dbraw/zinc/08/75/79/327087579.db2.gz RSHHGOHRWYHZNY-LJQANCHMSA-N 1 3 365.493 2.019 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)CC1 ZINC000170917930 327107061 /nfs/dbraw/zinc/10/70/61/327107061.db2.gz LUVJWVHWVWDQEM-UHFFFAOYSA-N 1 3 358.530 2.433 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000173936804 327295841 /nfs/dbraw/zinc/29/58/41/327295841.db2.gz UBJLVJIIMKRQLQ-UHFFFAOYSA-N 1 3 364.538 2.421 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000173936804 327295843 /nfs/dbraw/zinc/29/58/43/327295843.db2.gz UBJLVJIIMKRQLQ-UHFFFAOYSA-N 1 3 364.538 2.421 20 0 FEADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000173936483 327295909 /nfs/dbraw/zinc/29/59/09/327295909.db2.gz DXIBUTCQWXLUTN-IRXDYDNUSA-N 1 3 364.538 2.324 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000174149066 327308934 /nfs/dbraw/zinc/30/89/34/327308934.db2.gz NGSOSBKMVZXZQJ-IBGZPJMESA-N 1 3 374.529 2.254 20 0 FEADHO C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000174704858 327344403 /nfs/dbraw/zinc/34/44/03/327344403.db2.gz JSNMOPVGAZCWOA-LJQANCHMSA-N 1 3 372.513 2.173 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000176146580 327437229 /nfs/dbraw/zinc/43/72/29/327437229.db2.gz MDYADGIEGKYSGX-UHFFFAOYSA-N 1 3 354.539 2.048 20 0 FEADHO Cc1ccc([C@H](CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)N(C)C)cc1 ZINC000262718712 328883979 /nfs/dbraw/zinc/88/39/79/328883979.db2.gz HLFIXTWTAXHMQB-MJGOQNOKSA-N 1 3 355.486 2.149 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])CC2)C[C@@H](C)O1 ZINC000263171264 328922218 /nfs/dbraw/zinc/92/22/18/328922218.db2.gz FSKBUKNPLTYKLF-ZTRFORPCSA-N 1 3 351.535 2.242 20 0 FEADHO CCN(C)[C@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000264853009 329067443 /nfs/dbraw/zinc/06/74/43/329067443.db2.gz CINBUMYSFJSHOE-FQEVSTJZSA-N 1 3 360.546 2.164 20 0 FEADHO CCN(C)[C@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000264853009 329067445 /nfs/dbraw/zinc/06/74/45/329067445.db2.gz CINBUMYSFJSHOE-FQEVSTJZSA-N 1 3 360.546 2.164 20 0 FEADHO CCN(C)[C@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000264853009 329067447 /nfs/dbraw/zinc/06/74/47/329067447.db2.gz CINBUMYSFJSHOE-FQEVSTJZSA-N 1 3 360.546 2.164 20 0 FEADHO COCCC[N@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000266728727 329253524 /nfs/dbraw/zinc/25/35/24/329253524.db2.gz VINWEWIJLBIANO-INIZCTEOSA-N 1 3 368.547 2.153 20 0 FEADHO COCCC[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000266728727 329253525 /nfs/dbraw/zinc/25/35/25/329253525.db2.gz VINWEWIJLBIANO-INIZCTEOSA-N 1 3 368.547 2.153 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000266822275 329263207 /nfs/dbraw/zinc/26/32/07/329263207.db2.gz FZQAULQZUZRXNZ-AZUAARDMSA-N 1 3 358.530 2.140 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000266822275 329263209 /nfs/dbraw/zinc/26/32/09/329263209.db2.gz FZQAULQZUZRXNZ-AZUAARDMSA-N 1 3 358.530 2.140 20 0 FEADHO CC[NH+](CC)CCSCC(=O)NCc1ccccc1OCCN(C)C ZINC000266838320 329264746 /nfs/dbraw/zinc/26/47/46/329264746.db2.gz LUZKIVQZLMBOPH-UHFFFAOYSA-N 1 3 367.559 2.318 20 0 FEADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266853413 329265866 /nfs/dbraw/zinc/26/58/66/329265866.db2.gz SMEFQSKALVQIFN-VQTJNVASSA-N 1 3 356.514 2.388 20 0 FEADHO CN(C)[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000267252031 329307316 /nfs/dbraw/zinc/30/73/16/329307316.db2.gz ZWWCQIBWRKMUIQ-AEFFLSMTSA-N 1 3 350.532 2.026 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H](N)CCSC)cc1 ZINC000272452632 329782473 /nfs/dbraw/zinc/78/24/73/329782473.db2.gz MXGHIIJNWYQBPG-QGZVFWFLSA-N 1 3 353.532 2.104 20 0 FEADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[C@H](O)CC1 ZINC000275880863 330099404 /nfs/dbraw/zinc/09/94/04/330099404.db2.gz QDTCVABJGOXNCX-MXVIHJGJSA-N 1 3 359.514 2.134 20 0 FEADHO CCCN1CC[C@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414060518 330258536 /nfs/dbraw/zinc/25/85/36/330258536.db2.gz AVJQNYVJPOKFQW-UONOGXRCSA-N 1 3 356.308 2.321 20 0 FEADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CNC(C)=O)C2)CC1 ZINC000155534401 545538955 /nfs/dbraw/zinc/53/89/55/545538955.db2.gz IQLIYFOSMXYXRW-LJQANCHMSA-N 1 3 358.530 2.177 20 0 FEADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](CNC(C)=O)C2)CC1 ZINC000155534401 545538959 /nfs/dbraw/zinc/53/89/59/545538959.db2.gz IQLIYFOSMXYXRW-LJQANCHMSA-N 1 3 358.530 2.177 20 0 FEADHO CN(C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000477449662 561145195 /nfs/dbraw/zinc/14/51/95/561145195.db2.gz ZCIQTWWNHUIPNM-LJQANCHMSA-N 1 3 374.529 2.395 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(N(C)C)nc1 ZINC000157911416 545799102 /nfs/dbraw/zinc/79/91/02/545799102.db2.gz LLDIFHDAXNGRCM-KRWDZBQOSA-N 1 3 362.522 2.027 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(N(C)C)nc1 ZINC000157911416 545799108 /nfs/dbraw/zinc/79/91/08/545799108.db2.gz LLDIFHDAXNGRCM-KRWDZBQOSA-N 1 3 362.522 2.027 20 0 FEADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000477854433 561154797 /nfs/dbraw/zinc/15/47/97/561154797.db2.gz BJJPURCWMVYVPN-KRWDZBQOSA-N 1 3 374.529 2.110 20 0 FEADHO COc1cnccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000478466791 561167608 /nfs/dbraw/zinc/16/76/08/561167608.db2.gz JLVNMXZXYRHUNH-SFHVURJKSA-N 1 3 358.486 2.146 20 0 FEADHO COc1cnccc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000478466791 561167609 /nfs/dbraw/zinc/16/76/09/561167609.db2.gz JLVNMXZXYRHUNH-SFHVURJKSA-N 1 3 358.486 2.146 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000478791480 561174881 /nfs/dbraw/zinc/17/48/81/561174881.db2.gz YMLYNPBQIRQWME-WOJBJXKFSA-N 1 3 374.529 2.395 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000478791480 561174882 /nfs/dbraw/zinc/17/48/82/561174882.db2.gz YMLYNPBQIRQWME-WOJBJXKFSA-N 1 3 374.529 2.395 20 0 FEADHO CC(C)[C@H](CNC(=O)c1csc(CC[NH3+])n1)N1CCc2ccccc2C1 ZINC000479209009 561184710 /nfs/dbraw/zinc/18/47/10/561184710.db2.gz LVBYKLULICKKHG-SFHVURJKSA-N 1 3 372.538 2.457 20 0 FEADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000479356821 561188082 /nfs/dbraw/zinc/18/80/82/561188082.db2.gz GHYPEWDJJPIYKM-LSDHHAIUSA-N 1 3 351.516 2.086 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CN(CC(C)C)CCO2)[C@@H](C)C1 ZINC000480012034 561201263 /nfs/dbraw/zinc/20/12/63/561201263.db2.gz IDOUBXJNYXWTSA-ZCNNSNEGSA-N 1 3 355.567 2.070 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CN(CC(C)C)CCO2)[C@@H](C)C1 ZINC000480012034 561201264 /nfs/dbraw/zinc/20/12/64/561201264.db2.gz IDOUBXJNYXWTSA-ZCNNSNEGSA-N 1 3 355.567 2.070 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CN(CC(C)C)CCO2)[C@@H](C)C1 ZINC000480012034 561201265 /nfs/dbraw/zinc/20/12/65/561201265.db2.gz IDOUBXJNYXWTSA-ZCNNSNEGSA-N 1 3 355.567 2.070 20 0 FEADHO CCN1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000176036870 546393292 /nfs/dbraw/zinc/39/32/92/546393292.db2.gz VWXPKXSYRWAJNS-FQEVSTJZSA-N 1 3 359.514 2.134 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000176249407 546424598 /nfs/dbraw/zinc/42/45/98/546424598.db2.gz GDGOASWOVZQOHL-SFHVURJKSA-N 1 3 368.566 2.297 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000176264403 546425856 /nfs/dbraw/zinc/42/58/56/546425856.db2.gz PRQKCHMAHRIJGF-QZTJIDSGSA-N 1 3 368.566 2.295 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000176264403 546425859 /nfs/dbraw/zinc/42/58/59/546425859.db2.gz PRQKCHMAHRIJGF-QZTJIDSGSA-N 1 3 368.566 2.295 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000176334796 546433000 /nfs/dbraw/zinc/43/30/00/546433000.db2.gz AQLBIAOXSIBIEN-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000176334796 546433002 /nfs/dbraw/zinc/43/30/02/546433002.db2.gz AQLBIAOXSIBIEN-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO CCN(C)c1ccc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)cn1 ZINC000480381814 561208130 /nfs/dbraw/zinc/20/81/30/561208130.db2.gz HJMTWKWTEBFMHN-UHFFFAOYSA-N 1 3 368.529 2.235 20 0 FEADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(I)cc1 ZINC000481027326 561223259 /nfs/dbraw/zinc/22/32/59/561223259.db2.gz RCVSMZDZHKZTLQ-SWLSCSKDSA-N 1 3 374.266 2.399 20 0 FEADHO CC(C)[C@H](CNC(=O)NC[C@]1(N(C)C)CCSC1)[NH+]1CCC(C)CC1 ZINC000481059599 561224038 /nfs/dbraw/zinc/22/40/38/561224038.db2.gz MDYDUFNOMXXPJW-PKOBYXMFSA-N 1 3 370.607 2.479 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481275717 561229581 /nfs/dbraw/zinc/22/95/81/561229581.db2.gz ONGDQEMQICPPMC-MDZRGWNJSA-N 1 3 370.607 2.479 20 0 FEADHO CCc1nc2c(s1)[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000482563796 561255978 /nfs/dbraw/zinc/25/59/78/561255978.db2.gz GTFPQUANZODNFX-ZIAGYGMSSA-N 1 3 350.532 2.260 20 0 FEADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(-n2cccn2)cc1 ZINC000482870872 561261656 /nfs/dbraw/zinc/26/16/56/561261656.db2.gz WJEFVZJULVJSMT-KRWDZBQOSA-N 1 3 369.513 2.466 20 0 FEADHO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C12CCC2 ZINC000181670208 547356629 /nfs/dbraw/zinc/35/66/29/547356629.db2.gz JESDISGODVTLGL-MOPGFXCFSA-N 1 3 359.514 2.415 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000483934215 561287199 /nfs/dbraw/zinc/28/71/99/561287199.db2.gz YYTKKXUURJEPAH-UHFFFAOYSA-N 1 3 374.529 2.376 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000483934215 561287200 /nfs/dbraw/zinc/28/72/00/561287200.db2.gz YYTKKXUURJEPAH-UHFFFAOYSA-N 1 3 374.529 2.376 20 0 FEADHO C[C@@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)N1CCCC[C@H]1C ZINC000483717310 561282659 /nfs/dbraw/zinc/28/26/59/561282659.db2.gz WQEZSCXAXHZBOC-MSOLQXFVSA-N 1 3 368.566 2.392 20 0 FEADHO C[C@@H](CCNC(=O)N1CCN(CC2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000182689820 547534409 /nfs/dbraw/zinc/53/44/09/547534409.db2.gz IDLRVPUTNWREMC-SFHVURJKSA-N 1 3 366.550 2.005 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NOCc3ccc(F)cc3)CC2)CC1 ZINC000183315494 547636892 /nfs/dbraw/zinc/63/68/92/547636892.db2.gz RTYPBFSTFSQWQL-UHFFFAOYSA-N 1 3 364.465 2.115 20 0 FEADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000184295132 547802185 /nfs/dbraw/zinc/80/21/85/547802185.db2.gz WTDKGVSRFFPDOQ-CTNGQTDRSA-N 1 3 372.557 2.041 20 0 FEADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000184295132 547802187 /nfs/dbraw/zinc/80/21/87/547802187.db2.gz WTDKGVSRFFPDOQ-CTNGQTDRSA-N 1 3 372.557 2.041 20 0 FEADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000184295115 547802234 /nfs/dbraw/zinc/80/22/34/547802234.db2.gz WTDKGVSRFFPDOQ-FPOVZHCZSA-N 1 3 372.557 2.041 20 0 FEADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000184295115 547802235 /nfs/dbraw/zinc/80/22/35/547802235.db2.gz WTDKGVSRFFPDOQ-FPOVZHCZSA-N 1 3 372.557 2.041 20 0 FEADHO C[C@H](CCN1CCN(C)CC1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000184298461 547802271 /nfs/dbraw/zinc/80/22/71/547802271.db2.gz ZBCUXSCMZYTLFO-MRXNPFEDSA-N 1 3 372.513 2.250 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000184900020 547896222 /nfs/dbraw/zinc/89/62/22/547896222.db2.gz NPWCHNTWQOYMOV-KRWDZBQOSA-N 1 3 359.518 2.292 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000184900020 547896224 /nfs/dbraw/zinc/89/62/24/547896224.db2.gz NPWCHNTWQOYMOV-KRWDZBQOSA-N 1 3 359.518 2.292 20 0 FEADHO CCc1ccc([C@@H](CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)N(C)C)cc1 ZINC000485807874 561328559 /nfs/dbraw/zinc/32/85/59/561328559.db2.gz VPTYNLGBMODDMB-QFBILLFUSA-N 1 3 355.486 2.082 20 0 FEADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000486023228 561335516 /nfs/dbraw/zinc/33/55/16/561335516.db2.gz OLGANQKZUVJPQR-FQEVSTJZSA-N 1 3 372.557 2.041 20 0 FEADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000486023228 561335517 /nfs/dbraw/zinc/33/55/17/561335517.db2.gz OLGANQKZUVJPQR-FQEVSTJZSA-N 1 3 372.557 2.041 20 0 FEADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)CC1 ZINC000193984545 548418222 /nfs/dbraw/zinc/41/82/22/548418222.db2.gz LMPPHMNRODQFBD-NJDAHSKKSA-N 1 3 355.526 2.481 20 0 FEADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000486660793 561353783 /nfs/dbraw/zinc/35/37/83/561353783.db2.gz WBRLCQNIZZNYLC-NEWSRXKRSA-N 1 3 367.497 2.466 20 0 FEADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000486660793 561353784 /nfs/dbraw/zinc/35/37/84/561353784.db2.gz WBRLCQNIZZNYLC-NEWSRXKRSA-N 1 3 367.497 2.466 20 0 FEADHO COCCN1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000195141426 548583704 /nfs/dbraw/zinc/58/37/04/548583704.db2.gz UCXWWFQEGLKNRM-LJQANCHMSA-N 1 3 368.566 2.153 20 0 FEADHO CC[N@H+](C)CCNC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000487212329 561366173 /nfs/dbraw/zinc/36/61/73/561366173.db2.gz RFBROELEEVSAMW-GOSISDBHSA-N 1 3 350.507 2.327 20 0 FEADHO CC[N@@H+](C)CCNC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000487212329 561366174 /nfs/dbraw/zinc/36/61/74/561366174.db2.gz RFBROELEEVSAMW-GOSISDBHSA-N 1 3 350.507 2.327 20 0 FEADHO C[C@H](CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000487792104 561375986 /nfs/dbraw/zinc/37/59/86/561375986.db2.gz BIFJIPSHZNQJCK-FVVUREQNSA-N 1 3 350.551 2.479 20 0 FEADHO C[C@H](CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000487792104 561375987 /nfs/dbraw/zinc/37/59/87/561375987.db2.gz BIFJIPSHZNQJCK-FVVUREQNSA-N 1 3 350.551 2.479 20 0 FEADHO [NH3+][C@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000237971382 548867737 /nfs/dbraw/zinc/86/77/37/548867737.db2.gz UDDHURWJWGXARM-HXUWFJFHSA-N 1 3 352.482 2.015 20 0 FEADHO [NH3+][C@@H]1CC[C@H](C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000237957778 548867965 /nfs/dbraw/zinc/86/79/65/548867965.db2.gz HRDPEHLQLMLVON-GOEBONIOSA-N 1 3 365.905 2.427 20 0 FEADHO O=C(NCCCOC1CCN(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000238060382 548875615 /nfs/dbraw/zinc/87/56/15/548875615.db2.gz QAHXAZLHHCPAJU-UHFFFAOYSA-N 1 3 359.514 2.174 20 0 FEADHO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1[C@H](C)CC[C@@H]1C ZINC000245745128 548987248 /nfs/dbraw/zinc/98/72/48/548987248.db2.gz FTIAUOKRVLGBFU-DARIXABFSA-N 1 3 351.535 2.132 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000245905984 549015656 /nfs/dbraw/zinc/01/56/56/549015656.db2.gz FHBWJYMOMBNJBU-ICSRJNTNSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000245905984 549015659 /nfs/dbraw/zinc/01/56/59/549015659.db2.gz FHBWJYMOMBNJBU-ICSRJNTNSA-N 1 3 374.529 2.253 20 0 FEADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000245986921 549031662 /nfs/dbraw/zinc/03/16/62/549031662.db2.gz QDHCFKANCZXEOO-ICSRJNTNSA-N 1 3 371.529 2.424 20 0 FEADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000245986921 549031668 /nfs/dbraw/zinc/03/16/68/549031668.db2.gz QDHCFKANCZXEOO-ICSRJNTNSA-N 1 3 371.529 2.424 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@]1(C)CCCS1 ZINC000246738355 549200092 /nfs/dbraw/zinc/20/00/92/549200092.db2.gz USRZTJNQYJTROJ-SJLPKXTDSA-N 1 3 356.580 2.330 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@]1(C)CCCS1 ZINC000246738355 549200096 /nfs/dbraw/zinc/20/00/96/549200096.db2.gz USRZTJNQYJTROJ-SJLPKXTDSA-N 1 3 356.580 2.330 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(-n3cnnn3)cc2)[C@@H](C)C1 ZINC000247941253 549393603 /nfs/dbraw/zinc/39/36/03/549393603.db2.gz CZVIJRIZHJHUNL-QKLQHJQFSA-N 1 3 372.517 2.450 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(-n3cnnn3)cc2)[C@@H](C)C1 ZINC000247941253 549393608 /nfs/dbraw/zinc/39/36/08/549393608.db2.gz CZVIJRIZHJHUNL-QKLQHJQFSA-N 1 3 372.517 2.450 20 0 FEADHO O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000247987083 549398090 /nfs/dbraw/zinc/39/80/90/549398090.db2.gz IXYGVSNDKLBFIL-HBMCJLEFSA-N 1 3 354.498 2.231 20 0 FEADHO O[C@@H](Cn1cccn1)C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000247987083 549398095 /nfs/dbraw/zinc/39/80/95/549398095.db2.gz IXYGVSNDKLBFIL-HBMCJLEFSA-N 1 3 354.498 2.231 20 0 FEADHO CCN1CC[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)[C@@H](C)C1 ZINC000248591792 549464925 /nfs/dbraw/zinc/46/49/25/549464925.db2.gz ZSTIPMWPENBWLI-WMLDXEAASA-N 1 3 369.506 2.186 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000489751104 561418285 /nfs/dbraw/zinc/41/82/85/561418285.db2.gz KHPBQNHSWYCVFC-NCXUSEDFSA-N 1 3 350.551 2.479 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000489751104 561418286 /nfs/dbraw/zinc/41/82/86/561418286.db2.gz KHPBQNHSWYCVFC-NCXUSEDFSA-N 1 3 350.551 2.479 20 0 FEADHO CCc1cc(OC)ccc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261642475 549738372 /nfs/dbraw/zinc/73/83/72/549738372.db2.gz AKTYSOJCUSWCAN-JXFKEZNVSA-N 1 3 359.514 2.338 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)CC1 ZINC000261860347 549763286 /nfs/dbraw/zinc/76/32/86/549763286.db2.gz RIQJWWZGMKHBGU-BGYRXZFFSA-N 1 3 370.541 2.289 20 0 FEADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000262017898 549780744 /nfs/dbraw/zinc/78/07/44/549780744.db2.gz FYXSSUMSSSRXIF-FQEVSTJZSA-N 1 3 374.529 2.489 20 0 FEADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000262017898 549780751 /nfs/dbraw/zinc/78/07/51/549780751.db2.gz FYXSSUMSSSRXIF-FQEVSTJZSA-N 1 3 374.529 2.489 20 0 FEADHO CN1CCC(Nc2ccccc2NC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262352135 549813510 /nfs/dbraw/zinc/81/35/10/549813510.db2.gz IRZKGHIQVCQDQL-UHFFFAOYSA-N 1 3 359.499 2.403 20 0 FEADHO [NH3+]CCc1nc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cs1 ZINC000262443891 549820557 /nfs/dbraw/zinc/82/05/57/549820557.db2.gz YJPUMJBWRVRHAR-CYBMUJFWSA-N 1 3 364.540 2.348 20 0 FEADHO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000262710271 549842004 /nfs/dbraw/zinc/84/20/04/549842004.db2.gz PZLNBZOEVHZZJI-JCGIZDLHSA-N 1 3 360.502 2.165 20 0 FEADHO O=C(CCC1CC[NH2+]CC1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000262897571 549860642 /nfs/dbraw/zinc/86/06/42/549860642.db2.gz DGCPBXNKYKWBRQ-OAQYLSRUSA-N 1 3 373.541 2.328 20 0 FEADHO N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000263277982 549891298 /nfs/dbraw/zinc/89/12/98/549891298.db2.gz RAPSGGPVWWGFBE-LEWJYISDSA-N 1 3 351.494 2.237 20 0 FEADHO N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000263277982 549891299 /nfs/dbraw/zinc/89/12/99/549891299.db2.gz RAPSGGPVWWGFBE-LEWJYISDSA-N 1 3 351.494 2.237 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(N2CCOCC2)c1 ZINC000268912139 550130749 /nfs/dbraw/zinc/13/07/49/550130749.db2.gz UCOVJFNWVOZGKC-LJQANCHMSA-N 1 3 360.546 2.201 20 0 FEADHO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H](N)Cc3ccccc3)cc2)CC1 ZINC000269241387 550171395 /nfs/dbraw/zinc/17/13/95/550171395.db2.gz BPQMKPKVXCVDLO-HXUWFJFHSA-N 1 3 352.482 2.337 20 0 FEADHO C[N@H+]1CCCN(c2ccc(NC(=O)[C@H](N)Cc3ccccc3)cc2)CC1 ZINC000269241387 550171396 /nfs/dbraw/zinc/17/13/96/550171396.db2.gz BPQMKPKVXCVDLO-HXUWFJFHSA-N 1 3 352.482 2.337 20 0 FEADHO CN1CCN(Cc2ccc(CNC(=O)C[C@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000269391966 550189500 /nfs/dbraw/zinc/18/95/00/550189500.db2.gz AACGTEKMHQAAPT-NRFANRHFSA-N 1 3 366.509 2.140 20 0 FEADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000493906637 561459224 /nfs/dbraw/zinc/45/92/24/561459224.db2.gz LWJBMKHKVSQCRK-HXUWFJFHSA-N 1 3 367.493 2.461 20 0 FEADHO C[NH+](C)C1(CNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CCCC1 ZINC000270893077 550317976 /nfs/dbraw/zinc/31/79/76/550317976.db2.gz QPHHFGKAKGVNNR-UHFFFAOYSA-N 1 3 373.541 2.495 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271449670 550376031 /nfs/dbraw/zinc/37/60/31/550376031.db2.gz DQZDLGCDVLDQOE-HNAYVOBHSA-N 1 3 357.502 2.080 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271449664 550376126 /nfs/dbraw/zinc/37/61/26/550376126.db2.gz DQZDLGCDVLDQOE-BEFAXECRSA-N 1 3 357.502 2.080 20 0 FEADHO CN1CC[C@H]2CCN(C(=O)NCc3ccc(OCCC[NH+](C)C)cc3)[C@H]2C1 ZINC000272326949 550438025 /nfs/dbraw/zinc/43/80/25/550438025.db2.gz JLKPOLCIQPDCDP-ICSRJNTNSA-N 1 3 374.529 2.253 20 0 FEADHO CCN(CC)C(=O)C[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000272738106 550467772 /nfs/dbraw/zinc/46/77/72/550467772.db2.gz KISKBVYCASTKGZ-YLJYHZDGSA-N 1 3 361.530 2.380 20 0 FEADHO CCN(CC)C(=O)C[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272738106 550467773 /nfs/dbraw/zinc/46/77/73/550467773.db2.gz KISKBVYCASTKGZ-YLJYHZDGSA-N 1 3 361.530 2.380 20 0 FEADHO O=C1c2ccccc2C(=O)N1CC[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000278108106 550750244 /nfs/dbraw/zinc/75/02/44/550750244.db2.gz AVQPMUJIPNRQRM-UHFFFAOYSA-N 1 3 364.449 2.184 20 0 FEADHO CCN(CC)[C@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccsc1 ZINC000278989886 550844092 /nfs/dbraw/zinc/84/40/92/550844092.db2.gz KXRZTBQEZGCITD-CXAGYDPISA-N 1 3 361.515 2.361 20 0 FEADHO C[C@H]1C[C@@H](C(=O)N(C)C2CCN(CCc3ccccn3)CC2)CC[N@@H+]1C ZINC000279529758 550900107 /nfs/dbraw/zinc/90/01/07/550900107.db2.gz VVGXBUDQTLNHHJ-ROUUACIJSA-N 1 3 358.530 2.277 20 0 FEADHO C[C@H]1C[C@@H](C(=O)N(C)C2CCN(CCc3ccccn3)CC2)CC[N@H+]1C ZINC000279529758 550900108 /nfs/dbraw/zinc/90/01/08/550900108.db2.gz VVGXBUDQTLNHHJ-ROUUACIJSA-N 1 3 358.530 2.277 20 0 FEADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000279886326 550939376 /nfs/dbraw/zinc/93/93/76/550939376.db2.gz GXKJNSLRPDWGGR-HOCLYGCPSA-N 1 3 358.511 2.285 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000281092363 551062620 /nfs/dbraw/zinc/06/26/20/551062620.db2.gz XLWUMNLCOYSVMX-UHFFFAOYSA-N 1 3 362.518 2.254 20 0 FEADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CCCN1CCOC ZINC000496645609 561495208 /nfs/dbraw/zinc/49/52/08/561495208.db2.gz BPXHUSLOJZTORC-GOSISDBHSA-N 1 3 354.539 2.005 20 0 FEADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000282296750 551208086 /nfs/dbraw/zinc/20/80/86/551208086.db2.gz MBFCHGOCNCCPSO-MRXNPFEDSA-N 1 3 360.502 2.320 20 0 FEADHO COc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OC(F)F ZINC000282474763 551234426 /nfs/dbraw/zinc/23/44/26/551234426.db2.gz UXIVJNGCFGUEFD-UHFFFAOYSA-N 1 3 357.445 2.412 20 0 FEADHO C[C@H](N[C@H](CO)C[C@H](O)C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000284076615 551479759 /nfs/dbraw/zinc/47/97/59/551479759.db2.gz AZFMJCRGNJZWJF-IEZWGBDMSA-N 1 3 352.519 2.436 20 0 FEADHO C[C@H](N[C@@H](CO)C[C@@H](O)C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000284339836 551527482 /nfs/dbraw/zinc/52/74/82/551527482.db2.gz MSYKEJKJDZRLFB-KVSKMBFKSA-N 1 3 352.519 2.436 20 0 FEADHO CN(CCC(=O)N1CCCc2ccccc21)CC[N@H+](C)C1CCN(C)CC1 ZINC000284894083 551660747 /nfs/dbraw/zinc/66/07/47/551660747.db2.gz GFMLRQHIJRVCQO-UHFFFAOYSA-N 1 3 372.557 2.314 20 0 FEADHO CN(CCC(=O)N1CCCc2ccccc21)CC[N@@H+](C)C1CCN(C)CC1 ZINC000284894083 551660748 /nfs/dbraw/zinc/66/07/48/551660748.db2.gz GFMLRQHIJRVCQO-UHFFFAOYSA-N 1 3 372.557 2.314 20 0 FEADHO CCc1cnccc1CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000498722360 561532696 /nfs/dbraw/zinc/53/26/96/561532696.db2.gz OFRYREKLQFGVBM-LJQANCHMSA-N 1 3 361.534 2.202 20 0 FEADHO CCc1cnccc1CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000498722360 561532697 /nfs/dbraw/zinc/53/26/97/561532697.db2.gz OFRYREKLQFGVBM-LJQANCHMSA-N 1 3 361.534 2.202 20 0 FEADHO CCN1C[C@H](C)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C ZINC000498915331 561537626 /nfs/dbraw/zinc/53/76/26/561537626.db2.gz MQFGMVDAGIQTJK-MOPGFXCFSA-N 1 3 372.557 2.313 20 0 FEADHO COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000285541724 551772187 /nfs/dbraw/zinc/77/21/87/551772187.db2.gz CEXAEBWZUXTMNI-CTNGQTDRSA-N 1 3 355.482 2.420 20 0 FEADHO CN(C)C1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc2C1 ZINC000287606820 552024552 /nfs/dbraw/zinc/02/45/52/552024552.db2.gz XDMSGICQGXLVAW-YOFSQIOKSA-N 1 3 370.541 2.352 20 0 FEADHO CN(C)C1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc2C1 ZINC000287606820 552024554 /nfs/dbraw/zinc/02/45/54/552024554.db2.gz XDMSGICQGXLVAW-YOFSQIOKSA-N 1 3 370.541 2.352 20 0 FEADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000287738917 552040737 /nfs/dbraw/zinc/04/07/37/552040737.db2.gz PNWWHZIYCODTKG-GVDBMIGSSA-N 1 3 358.404 2.453 20 0 FEADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H](N)CCC(=O)OC)c1 ZINC000289828142 552384803 /nfs/dbraw/zinc/38/48/03/552384803.db2.gz JRGUPDCVDBTJBX-GOSISDBHSA-N 1 3 363.502 2.205 20 0 FEADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H](N)CCC(=O)OC)c1 ZINC000289828142 552384804 /nfs/dbraw/zinc/38/48/04/552384804.db2.gz JRGUPDCVDBTJBX-GOSISDBHSA-N 1 3 363.502 2.205 20 0 FEADHO C[NH+](C)CCNC(=O)C1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000290052104 552420299 /nfs/dbraw/zinc/42/02/99/552420299.db2.gz ZYUFYRJFMIXMCF-ONEGZZNKSA-N 1 3 351.441 2.368 20 0 FEADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C34CCCN3CCC4)nc2)CC1 ZINC000290588781 552503132 /nfs/dbraw/zinc/50/31/32/552503132.db2.gz UDAFYAQGGHLREI-UHFFFAOYSA-N 1 3 357.502 2.179 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cnn2ccc(C)cc12 ZINC000501045143 561588524 /nfs/dbraw/zinc/58/85/24/561588524.db2.gz NCHHHFFTDPLIFL-QGZVFWFLSA-N 1 3 357.502 2.131 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cnn2ccc(C)cc12 ZINC000501045143 561588525 /nfs/dbraw/zinc/58/85/25/561588525.db2.gz NCHHHFFTDPLIFL-QGZVFWFLSA-N 1 3 357.502 2.131 20 0 FEADHO COC(=O)c1cc(CNCc2ccc(OCC[NH+](C)C)cc2)n(C)c1C ZINC000291201614 552599686 /nfs/dbraw/zinc/59/96/86/552599686.db2.gz NAKJLPYIJVUMJZ-UHFFFAOYSA-N 1 3 359.470 2.350 20 0 FEADHO CC(C)[C@@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000292507692 552733360 /nfs/dbraw/zinc/73/33/60/552733360.db2.gz PPNGLDKWOBAPFM-QGZVFWFLSA-N 1 3 353.894 2.283 20 0 FEADHO CC(C)[N@@H+]1CCCN([C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000292584046 552740612 /nfs/dbraw/zinc/74/06/12/552740612.db2.gz UPNVSOGFFSTMTH-TZIWHRDSSA-N 1 3 372.557 2.182 20 0 FEADHO CC(C)[N@H+]1CCCN([C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000292584046 552740613 /nfs/dbraw/zinc/74/06/13/552740613.db2.gz UPNVSOGFFSTMTH-TZIWHRDSSA-N 1 3 372.557 2.182 20 0 FEADHO CC[N@H+](CC[C@H]1CCCN1C)C[C@@H](O)COc1ccc(CCOC)cc1 ZINC000292954218 552774384 /nfs/dbraw/zinc/77/43/84/552774384.db2.gz KUSVWIULYCUTMB-WOJBJXKFSA-N 1 3 364.530 2.421 20 0 FEADHO CC[N@@H+](CC[C@H]1CCCN1C)C[C@@H](O)COc1ccc(CCOC)cc1 ZINC000292954218 552774385 /nfs/dbraw/zinc/77/43/85/552774385.db2.gz KUSVWIULYCUTMB-WOJBJXKFSA-N 1 3 364.530 2.421 20 0 FEADHO COc1cc(CN2CCC[C@H](O)CC2)cc(C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000293125737 552791135 /nfs/dbraw/zinc/79/11/35/552791135.db2.gz MMVFGPIKOUCIJW-PMACEKPBSA-N 1 3 362.514 2.389 20 0 FEADHO COc1cc(CN2CCC[C@H](O)CC2)cc(C[N@H+]2CCC[C@H](O)CC2)c1 ZINC000293125737 552791137 /nfs/dbraw/zinc/79/11/37/552791137.db2.gz MMVFGPIKOUCIJW-PMACEKPBSA-N 1 3 362.514 2.389 20 0 FEADHO CN(C)CCOc1ccc(CC[NH2+]Cc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000293484474 552828416 /nfs/dbraw/zinc/82/84/16/552828416.db2.gz ACGCBTUIMNAHBW-UHFFFAOYSA-N 1 3 369.465 2.290 20 0 FEADHO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccnn2CCN(C)C)cc1 ZINC000294003341 552874488 /nfs/dbraw/zinc/87/44/88/552874488.db2.gz ICAQDEBQKZPGHP-UHFFFAOYSA-N 1 3 373.501 2.418 20 0 FEADHO C[C@H]([NH2+][C@H]1CCOC1(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000295341197 552990651 /nfs/dbraw/zinc/99/06/51/552990651.db2.gz XYEYCPVVXHETHR-LPHOPBHVSA-N 1 3 359.514 2.313 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCCN(CCCO)C2)cc1)C(C)C ZINC000295378469 552996764 /nfs/dbraw/zinc/99/67/64/552996764.db2.gz GUMNEGAJIHMOBF-FQEVSTJZSA-N 1 3 361.530 2.494 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCCN(CCCO)C2)cc1)C(C)C ZINC000295378469 552996766 /nfs/dbraw/zinc/99/67/66/552996766.db2.gz GUMNEGAJIHMOBF-FQEVSTJZSA-N 1 3 361.530 2.494 20 0 FEADHO CN(C)CCOc1cc(C(=O)NCC2([NH+](C)C)CCCCCC2)ccn1 ZINC000502083156 561611761 /nfs/dbraw/zinc/61/17/61/561611761.db2.gz NFWVZDSMRVPAFE-UHFFFAOYSA-N 1 3 362.518 2.406 20 0 FEADHO Brc1cnn(CC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298162194 553392316 /nfs/dbraw/zinc/39/23/16/553392316.db2.gz SQQZFAOWXJFYKR-UHFFFAOYSA-N 1 3 350.264 2.299 20 0 FEADHO C[C@@H](C[NH+](C)C)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000503381732 561640313 /nfs/dbraw/zinc/64/03/13/561640313.db2.gz BAVWKHMORNAANN-XGNXJENSSA-N 1 3 350.429 2.041 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000298264718 553405320 /nfs/dbraw/zinc/40/53/20/553405320.db2.gz GADUPZFAGRWUEV-UHFFFAOYSA-N 1 3 365.543 2.231 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1COc2ccccc2C1 ZINC000505788109 561680890 /nfs/dbraw/zinc/68/08/90/561680890.db2.gz FXGWXHNZAFETLM-RBUKOAKNSA-N 1 3 359.514 2.112 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1COc2ccccc2C1 ZINC000505788109 561680892 /nfs/dbraw/zinc/68/08/92/561680892.db2.gz FXGWXHNZAFETLM-RBUKOAKNSA-N 1 3 359.514 2.112 20 0 FEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCN2CCN(CC)CC2)C1 ZINC000531057490 562433379 /nfs/dbraw/zinc/43/33/79/562433379.db2.gz ZWLARDQWVSGVCO-SFHVURJKSA-N 1 3 352.567 2.031 20 0 FEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCN2CCN(CC)CC2)C1 ZINC000531057490 562433380 /nfs/dbraw/zinc/43/33/80/562433380.db2.gz ZWLARDQWVSGVCO-SFHVURJKSA-N 1 3 352.567 2.031 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000510541517 561838347 /nfs/dbraw/zinc/83/83/47/561838347.db2.gz ZCBSMEWMLIFPHL-OALUTQOASA-N 1 3 362.518 2.042 20 0 FEADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000333372299 554607196 /nfs/dbraw/zinc/60/71/96/554607196.db2.gz MOLIIXGJHGOJAV-JKSUJKDBSA-N 1 3 354.564 2.035 20 0 FEADHO C[C@@H](NC(=O)NCC1(N2CCSCC2)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000333461971 554615515 /nfs/dbraw/zinc/61/55/15/554615515.db2.gz ZGRNXWKULCTCMI-SJORKVTESA-N 1 3 368.591 2.425 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)CC[NH2+]1 ZINC000333805262 554645056 /nfs/dbraw/zinc/64/50/56/554645056.db2.gz ILXFRULMHBHDKP-YWTNHNAXSA-N 1 3 366.550 2.048 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000333819738 554646517 /nfs/dbraw/zinc/64/65/17/554646517.db2.gz KSJVSUADJASTNP-NEWSRXKRSA-N 1 3 359.518 2.076 20 0 FEADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC[C@@H]3CCCN(Cc4cccs4)C3)C[C@@H]12 ZINC000333939218 554658398 /nfs/dbraw/zinc/65/83/98/554658398.db2.gz NBAWIJLJCDGTTP-BURFUSLBSA-N 1 3 362.543 2.339 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C2=CCN(C)CC2)[C@H](C)C1 ZINC000511271874 561863477 /nfs/dbraw/zinc/86/34/77/561863477.db2.gz GHYYTRJEOKJLTI-LMMKCTJWSA-N 1 3 366.550 2.073 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C2=CCN(C)CC2)[C@H](C)C1 ZINC000511271874 561863478 /nfs/dbraw/zinc/86/34/78/561863478.db2.gz GHYYTRJEOKJLTI-LMMKCTJWSA-N 1 3 366.550 2.073 20 0 FEADHO [NH2+]=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1ccc(OC(F)(F)F)cc1 ZINC000360571710 554880476 /nfs/dbraw/zinc/88/04/76/554880476.db2.gz GWMCVRFLWJQTEF-GXTWGEPZSA-N 1 3 358.364 2.385 20 0 FEADHO C[C@@H]1CN(CCN2CCCc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362079570 554948551 /nfs/dbraw/zinc/94/85/51/554948551.db2.gz PUPBMAHVUWIIFU-CTNGQTDRSA-N 1 3 356.558 2.397 20 0 FEADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000362199418 554955612 /nfs/dbraw/zinc/95/56/12/554955612.db2.gz HZVZBOAVBRSDFZ-PZJWPPBQSA-N 1 3 371.525 2.268 20 0 FEADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000362199418 554955615 /nfs/dbraw/zinc/95/56/15/554955615.db2.gz HZVZBOAVBRSDFZ-PZJWPPBQSA-N 1 3 371.525 2.268 20 0 FEADHO CN(CC(=O)NCCC1=CCCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362719969 554983873 /nfs/dbraw/zinc/98/38/73/554983873.db2.gz QQKBFXZVIRWFMO-FQEVSTJZSA-N 1 3 362.562 2.093 20 0 FEADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000363146237 555039827 /nfs/dbraw/zinc/03/98/27/555039827.db2.gz YBACEXMAGMFYBQ-UXHICEINSA-N 1 3 366.594 2.373 20 0 FEADHO CCCN1CCN(C2CCN(C(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000363397171 555094735 /nfs/dbraw/zinc/09/47/35/555094735.db2.gz HEJQFJYHDBICHB-FHWLQOOXSA-N 1 3 364.578 2.266 20 0 FEADHO C[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000363782382 555184978 /nfs/dbraw/zinc/18/49/78/555184978.db2.gz HEQTXQISQZZOSJ-GIYDNNGJSA-N 1 3 370.501 2.202 20 0 FEADHO C[C@H](N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000363782382 555184982 /nfs/dbraw/zinc/18/49/82/555184982.db2.gz HEQTXQISQZZOSJ-GIYDNNGJSA-N 1 3 370.501 2.202 20 0 FEADHO CC(C)C[N@@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000363825907 555194328 /nfs/dbraw/zinc/19/43/28/555194328.db2.gz PUCXHTAOCRXENQ-FQEVSTJZSA-N 1 3 360.546 2.069 20 0 FEADHO CC(C)C[N@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000363825907 555194329 /nfs/dbraw/zinc/19/43/29/555194329.db2.gz PUCXHTAOCRXENQ-FQEVSTJZSA-N 1 3 360.546 2.069 20 0 FEADHO c1ccc(CN2CC[C@@]3(CC[N@@H+](CCN4C[C@H]5CC[C@@H](C4)O5)C3)C2)cc1 ZINC000512275948 561898436 /nfs/dbraw/zinc/89/84/36/561898436.db2.gz HMCACPNNQKHLLH-BHIFYINESA-N 1 3 355.526 2.448 20 0 FEADHO c1ccc(CN2CC[C@@]3(CC[N@H+](CCN4C[C@H]5CC[C@@H](C4)O5)C3)C2)cc1 ZINC000512275948 561898438 /nfs/dbraw/zinc/89/84/38/561898438.db2.gz HMCACPNNQKHLLH-BHIFYINESA-N 1 3 355.526 2.448 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000512512045 561908059 /nfs/dbraw/zinc/90/80/59/561908059.db2.gz PRBYCDBZTLIZFY-RBUKOAKNSA-N 1 3 374.529 2.096 20 0 FEADHO CN(C)CCOc1ccc(CCNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000512512045 561908060 /nfs/dbraw/zinc/90/80/60/561908060.db2.gz PRBYCDBZTLIZFY-RBUKOAKNSA-N 1 3 374.529 2.096 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@H]2CCO[C@H]2C2CC2)CC1 ZINC000364782864 555401444 /nfs/dbraw/zinc/40/14/44/555401444.db2.gz JARJVZBOZRHEAC-UNMCSNQZSA-N 1 3 371.525 2.186 20 0 FEADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C[C@H]1CSCCN1 ZINC000364945754 555446655 /nfs/dbraw/zinc/44/66/55/555446655.db2.gz DGUWMECFCXNRHO-FHWLQOOXSA-N 1 3 361.555 2.280 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000365644031 555630035 /nfs/dbraw/zinc/63/00/35/555630035.db2.gz UZGIGZPQPXCFIF-UYAOXDASSA-N 1 3 356.514 2.185 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000365644031 555630037 /nfs/dbraw/zinc/63/00/37/555630037.db2.gz UZGIGZPQPXCFIF-UYAOXDASSA-N 1 3 356.514 2.185 20 0 FEADHO CC(C)c1nccn1CCC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365753332 555659795 /nfs/dbraw/zinc/65/97/95/555659795.db2.gz QNJMXEQAFSBLRY-GOSISDBHSA-N 1 3 361.534 2.024 20 0 FEADHO Cc1cscc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000365898776 555695731 /nfs/dbraw/zinc/69/57/31/555695731.db2.gz XOTMEBODMDMKRF-UHFFFAOYSA-N 1 3 350.532 2.414 20 0 FEADHO C[C@@H](C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1)[C@H](N)c1ccccc1 ZINC000366325307 555812575 /nfs/dbraw/zinc/81/25/75/555812575.db2.gz PJDGEPQWSOGBND-UZLBHIALSA-N 1 3 359.514 2.424 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H](C)O1 ZINC000367640403 556103099 /nfs/dbraw/zinc/10/30/99/556103099.db2.gz YWVOIRZRHIIMPT-SETITPSXSA-N 1 3 351.535 2.146 20 0 FEADHO Cc1ccccc1NC(=O)CCN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367678733 556112908 /nfs/dbraw/zinc/11/29/08/556112908.db2.gz OFJXNUMGGZYRCT-LJQANCHMSA-N 1 3 358.530 2.424 20 0 FEADHO Cc1ccccc1NC(=O)CCN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367678733 556112910 /nfs/dbraw/zinc/11/29/10/556112910.db2.gz OFJXNUMGGZYRCT-LJQANCHMSA-N 1 3 358.530 2.424 20 0 FEADHO C[NH+](C)CCOc1cnccc1CNC1CCN(C(=O)c2ccoc2)CC1 ZINC000367961816 556183333 /nfs/dbraw/zinc/18/33/33/556183333.db2.gz IOUBYTGBUYXJDR-UHFFFAOYSA-N 1 3 372.469 2.009 20 0 FEADHO COCCOc1cccc(CN2CCC[C@H](C[NH+]3CCN(C)CC3)C2)c1 ZINC000368052602 556205666 /nfs/dbraw/zinc/20/56/66/556205666.db2.gz XDUNKYWACMNYFV-HXUWFJFHSA-N 1 3 361.530 2.171 20 0 FEADHO C[C@H]1CN(CCCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCO1 ZINC000368433100 556307703 /nfs/dbraw/zinc/30/77/03/556307703.db2.gz LNCOCSNIPWDTMP-ROUUACIJSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@H]1CN(CCCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCO1 ZINC000368433100 556307706 /nfs/dbraw/zinc/30/77/06/556307706.db2.gz LNCOCSNIPWDTMP-ROUUACIJSA-N 1 3 351.535 2.258 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000515466988 562011522 /nfs/dbraw/zinc/01/15/22/562011522.db2.gz IXBVBIHDFVWJMC-KRWDZBQOSA-N 1 3 372.513 2.464 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNCCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000515466988 562011523 /nfs/dbraw/zinc/01/15/23/562011523.db2.gz IXBVBIHDFVWJMC-KRWDZBQOSA-N 1 3 372.513 2.464 20 0 FEADHO CCCN1CC[C@@H](C[NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000515466988 562011524 /nfs/dbraw/zinc/01/15/24/562011524.db2.gz IXBVBIHDFVWJMC-KRWDZBQOSA-N 1 3 372.513 2.464 20 0 FEADHO C[NH+](C)CC[C@H](NC(=O)c1cnn(CCN2CCCCC2)c1)C(C)(C)C ZINC000369377979 556585043 /nfs/dbraw/zinc/58/50/43/556585043.db2.gz OVLFCBBETFFHIV-SFHVURJKSA-N 1 3 363.550 2.465 20 0 FEADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1 ZINC000369669053 556663965 /nfs/dbraw/zinc/66/39/65/556663965.db2.gz WODDBICSZABCPB-MTQWCTHYSA-N 1 3 356.514 2.415 20 0 FEADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1 ZINC000369669053 556663967 /nfs/dbraw/zinc/66/39/67/556663967.db2.gz WODDBICSZABCPB-MTQWCTHYSA-N 1 3 356.514 2.415 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000369890357 556722115 /nfs/dbraw/zinc/72/21/15/556722115.db2.gz XLEBMAASXIIQLD-ZCNNSNEGSA-N 1 3 373.545 2.494 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000369890357 556722118 /nfs/dbraw/zinc/72/21/18/556722118.db2.gz XLEBMAASXIIQLD-ZCNNSNEGSA-N 1 3 373.545 2.494 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000370058644 556769840 /nfs/dbraw/zinc/76/98/40/556769840.db2.gz ZXPHUHHANQWBOH-SFHVURJKSA-N 1 3 366.550 2.192 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000370058644 556769842 /nfs/dbraw/zinc/76/98/42/556769842.db2.gz ZXPHUHHANQWBOH-SFHVURJKSA-N 1 3 366.550 2.192 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000370082251 556776531 /nfs/dbraw/zinc/77/65/31/556776531.db2.gz NQYUETUVMSEPND-MRXNPFEDSA-N 1 3 366.550 2.144 20 0 FEADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000370133070 556789841 /nfs/dbraw/zinc/78/98/41/556789841.db2.gz YTJAIUWSACGGJG-UXHICEINSA-N 1 3 373.545 2.261 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000370624962 556924039 /nfs/dbraw/zinc/92/40/39/556924039.db2.gz SFTGFLQYQTWUBH-FUHWJXTLSA-N 1 3 372.513 2.462 20 0 FEADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000516897827 562063429 /nfs/dbraw/zinc/06/34/29/562063429.db2.gz HYGQZRPDRWDHHT-KRWDZBQOSA-N 1 3 374.529 2.456 20 0 FEADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000516897827 562063430 /nfs/dbraw/zinc/06/34/30/562063430.db2.gz HYGQZRPDRWDHHT-KRWDZBQOSA-N 1 3 374.529 2.456 20 0 FEADHO CCNC(=O)c1ccc(CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000370670093 556935757 /nfs/dbraw/zinc/93/57/57/556935757.db2.gz WGKXJUXDSKGIDX-PWIZWCRZSA-N 1 3 359.514 2.415 20 0 FEADHO CCNC(=O)c1ccc(CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000370670093 556935761 /nfs/dbraw/zinc/93/57/61/556935761.db2.gz WGKXJUXDSKGIDX-PWIZWCRZSA-N 1 3 359.514 2.415 20 0 FEADHO [NH2+]=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1ccccc1OC(F)(F)F ZINC000370815627 556976808 /nfs/dbraw/zinc/97/68/08/556976808.db2.gz ZPJPLKGTSMKHBN-NEPJUHHUSA-N 1 3 358.364 2.385 20 0 FEADHO COCCCN1CCCN(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000370846910 556988414 /nfs/dbraw/zinc/98/84/14/556988414.db2.gz OXLFUSRDISQFGV-LJQANCHMSA-N 1 3 368.566 2.108 20 0 FEADHO COCCCN1CCCN(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000370846910 556988418 /nfs/dbraw/zinc/98/84/18/556988418.db2.gz OXLFUSRDISQFGV-LJQANCHMSA-N 1 3 368.566 2.108 20 0 FEADHO COc1ccc(NC(=O)[C@H](C)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000371258798 557122484 /nfs/dbraw/zinc/12/24/84/557122484.db2.gz CXJDTBWOVYSRKR-LPHOPBHVSA-N 1 3 374.529 2.123 20 0 FEADHO C[C@@H]1CCC[C@H](NC(=O)CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000371259651 557122734 /nfs/dbraw/zinc/12/27/34/557122734.db2.gz JBBSYWNCALOSPR-BWPNAZKDSA-N 1 3 364.578 2.028 20 0 FEADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CN4CCC(CO)CC4)cc3)C[C@@H]21 ZINC000371553818 557220657 /nfs/dbraw/zinc/22/06/57/557220657.db2.gz NJYNDWORHVCNEY-CTNGQTDRSA-N 1 3 371.525 2.057 20 0 FEADHO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(CN4CCC(CO)CC4)cc3)C[C@@H]21 ZINC000371553818 557220663 /nfs/dbraw/zinc/22/06/63/557220663.db2.gz NJYNDWORHVCNEY-CTNGQTDRSA-N 1 3 371.525 2.057 20 0 FEADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000518939653 562121488 /nfs/dbraw/zinc/12/14/88/562121488.db2.gz RHQFHQZFNGKLJY-CVEARBPZSA-N 1 3 354.564 2.117 20 0 FEADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCC[C@H](N)C3)CC2)cc1 ZINC000518994655 562122886 /nfs/dbraw/zinc/12/28/86/562122886.db2.gz CAIFVFQHWPTAQJ-DOTOQJQBSA-N 1 3 351.516 2.008 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000519358901 562129899 /nfs/dbraw/zinc/12/98/99/562129899.db2.gz PANFYRMQISUWFY-VQIMIIECSA-N 1 3 374.529 2.347 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N[C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000519358899 562129905 /nfs/dbraw/zinc/12/99/05/562129905.db2.gz PANFYRMQISUWFY-LPHOPBHVSA-N 1 3 374.529 2.347 20 0 FEADHO C[C@@H]1N(CC(O)C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000373180006 557645515 /nfs/dbraw/zinc/64/55/15/557645515.db2.gz MZEAFFYNACGQAG-ROUUACIJSA-N 1 3 366.546 2.129 20 0 FEADHO C[C@@H]1N(CC(O)C[N@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000373180006 557645516 /nfs/dbraw/zinc/64/55/16/557645516.db2.gz MZEAFFYNACGQAG-ROUUACIJSA-N 1 3 366.546 2.129 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)CC1 ZINC000373191469 557647159 /nfs/dbraw/zinc/64/71/59/557647159.db2.gz QNIDZWQKOIIYMW-OALUTQOASA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373218151 557652032 /nfs/dbraw/zinc/65/20/32/557652032.db2.gz QXHBLSOLEUZEEZ-SOAMZJECSA-N 1 3 364.578 2.265 20 0 FEADHO Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000375095101 557977163 /nfs/dbraw/zinc/97/71/63/557977163.db2.gz TXHVLKXYNPIOIJ-MRXNPFEDSA-N 1 3 362.543 2.360 20 0 FEADHO C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(OCCN(C)C)cc1 ZINC000375844281 558088485 /nfs/dbraw/zinc/08/84/85/558088485.db2.gz COSXJFXTHMNAPI-FUHWJXTLSA-N 1 3 357.502 2.290 20 0 FEADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000376289703 558153259 /nfs/dbraw/zinc/15/32/59/558153259.db2.gz LSDNSWGTFUCOJL-IEBWSBKVSA-N 1 3 374.529 2.395 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000376646932 558202710 /nfs/dbraw/zinc/20/27/10/558202710.db2.gz RKSIUVVITCMZEY-MJGOQNOKSA-N 1 3 366.550 2.144 20 0 FEADHO COCC[C@@]1(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC[NH2+]C1 ZINC000376693593 558209521 /nfs/dbraw/zinc/20/95/21/558209521.db2.gz ASKMEJAJQJXZEZ-FPOVZHCZSA-N 1 3 359.514 2.264 20 0 FEADHO CC(C)CNC(=O)[C@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377269855 558302639 /nfs/dbraw/zinc/30/26/39/558302639.db2.gz ZXLXFTSIHCVRGK-SFHVURJKSA-N 1 3 366.594 2.275 20 0 FEADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000522207043 562194258 /nfs/dbraw/zinc/19/42/58/562194258.db2.gz NACDNSLQGSBWQG-OAQYLSRUSA-N 1 3 372.557 2.315 20 0 FEADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000522207043 562194259 /nfs/dbraw/zinc/19/42/59/562194259.db2.gz NACDNSLQGSBWQG-OAQYLSRUSA-N 1 3 372.557 2.315 20 0 FEADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000522252671 562195121 /nfs/dbraw/zinc/19/51/21/562195121.db2.gz XGNIGNVOJQKNOU-QFIPXVFZSA-N 1 3 373.541 2.346 20 0 FEADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000522252671 562195122 /nfs/dbraw/zinc/19/51/22/562195122.db2.gz XGNIGNVOJQKNOU-QFIPXVFZSA-N 1 3 373.541 2.346 20 0 FEADHO CCN(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000377637252 558383058 /nfs/dbraw/zinc/38/30/58/558383058.db2.gz PPRYXOLYYJNCHR-RTWAWAEBSA-N 1 3 372.557 2.306 20 0 FEADHO CCN(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000377637252 558383060 /nfs/dbraw/zinc/38/30/60/558383060.db2.gz PPRYXOLYYJNCHR-RTWAWAEBSA-N 1 3 372.557 2.306 20 0 FEADHO CCN(C)[C@H](C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000377637252 558383061 /nfs/dbraw/zinc/38/30/61/558383061.db2.gz PPRYXOLYYJNCHR-RTWAWAEBSA-N 1 3 372.557 2.306 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCCN1C ZINC000522433954 562198388 /nfs/dbraw/zinc/19/83/88/562198388.db2.gz NXNHBTWTYRMECJ-MOPGFXCFSA-N 1 3 359.518 2.172 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCCN1C ZINC000522433954 562198389 /nfs/dbraw/zinc/19/83/89/562198389.db2.gz NXNHBTWTYRMECJ-MOPGFXCFSA-N 1 3 359.518 2.172 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCCN1C ZINC000522433956 562198447 /nfs/dbraw/zinc/19/84/47/562198447.db2.gz NXNHBTWTYRMECJ-RBUKOAKNSA-N 1 3 359.518 2.172 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCCN1C ZINC000522433956 562198448 /nfs/dbraw/zinc/19/84/48/562198448.db2.gz NXNHBTWTYRMECJ-RBUKOAKNSA-N 1 3 359.518 2.172 20 0 FEADHO C[C@H](CNC(=O)CC1(N2CCOCC2)CCCC1)C[NH+]1CCCCC1 ZINC000522853325 562204918 /nfs/dbraw/zinc/20/49/18/562204918.db2.gz FWRXTFQIMAFDPW-GOSISDBHSA-N 1 3 351.535 2.260 20 0 FEADHO C[NH+](C)CCCOC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000378033586 558467050 /nfs/dbraw/zinc/46/70/50/558467050.db2.gz YBSPBIKJCKEYGH-IBGZPJMESA-N 1 3 357.514 2.158 20 0 FEADHO COCC[C@@]1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC[NH2+]C1 ZINC000378212992 558503701 /nfs/dbraw/zinc/50/37/01/558503701.db2.gz YISAAJKAENGWMF-QAPCUYQASA-N 1 3 351.516 2.017 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000524135940 562224279 /nfs/dbraw/zinc/22/42/79/562224279.db2.gz XQNLGLLOXBODHX-WOJBJXKFSA-N 1 3 374.529 2.152 20 0 FEADHO C[C@@H]1CCC[C@](CNC(=O)N2CCC(OCCN(C)C)CC2)([NH+](C)C)C1 ZINC000524518481 562229872 /nfs/dbraw/zinc/22/98/72/562229872.db2.gz DRNWXMCOAVHOBU-XLIONFOSSA-N 1 3 368.566 2.249 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccccc1C(F)(F)F ZINC000525445741 562248325 /nfs/dbraw/zinc/24/83/25/562248325.db2.gz GBFMKTRCYOBHML-UHFFFAOYSA-N 1 3 360.424 2.340 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)ccc1CN(C)C ZINC000411176849 558848613 /nfs/dbraw/zinc/84/86/13/558848613.db2.gz HSYUBMPRBNPMKZ-MRXNPFEDSA-N 1 3 374.529 2.233 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)ccc1C[NH+](C)C ZINC000411194315 558851572 /nfs/dbraw/zinc/85/15/72/558851572.db2.gz PXRBDOCRMSFDRU-KRWDZBQOSA-N 1 3 374.529 2.232 20 0 FEADHO COC(=O)[C@]1(C)CCCN(C/C=C/C[N@@H+]2CCC[C@@](C)(C(=O)OC)C2)C1 ZINC000412059320 559008006 /nfs/dbraw/zinc/00/80/06/559008006.db2.gz CFABZUZRDMEKRY-BGEOSOQGSA-N 1 3 366.502 2.093 20 0 FEADHO COC(=O)[C@]1(C)CCCN(C/C=C/C[N@H+]2CCC[C@@](C)(C(=O)OC)C2)C1 ZINC000412059320 559008008 /nfs/dbraw/zinc/00/80/08/559008008.db2.gz CFABZUZRDMEKRY-BGEOSOQGSA-N 1 3 366.502 2.093 20 0 FEADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412298892 559025973 /nfs/dbraw/zinc/02/59/73/559025973.db2.gz GSNJRZLWXYNVOF-IRXDYDNUSA-N 1 3 353.576 2.441 20 0 FEADHO CCN1CC[C@H](NC(=O)N[C@H](CC[N@H+](C)CCOC)c2ccccc2)C1 ZINC000413254671 559092442 /nfs/dbraw/zinc/09/24/42/559092442.db2.gz YYFKIDKSRJUGOL-RBUKOAKNSA-N 1 3 362.518 2.089 20 0 FEADHO CCN1CC[C@H](NC(=O)N[C@H](CC[N@@H+](C)CCOC)c2ccccc2)C1 ZINC000413254671 559092443 /nfs/dbraw/zinc/09/24/43/559092443.db2.gz YYFKIDKSRJUGOL-RBUKOAKNSA-N 1 3 362.518 2.089 20 0 FEADHO CCN1CCN([C@H](C)CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000413444464 559108308 /nfs/dbraw/zinc/10/83/08/559108308.db2.gz RZPCAYJUZNSQNL-LJQANCHMSA-N 1 3 372.557 2.428 20 0 FEADHO CN1CCC(C[NH2+][C@H]2CCCc3ccc(O)cc32)(N2CCOCC2)CC1 ZINC000414181667 559151799 /nfs/dbraw/zinc/15/17/99/559151799.db2.gz CGDWITWCMMMIRC-FQEVSTJZSA-N 1 3 359.514 2.156 20 0 FEADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc2c(c1)COC2 ZINC000414189436 559152280 /nfs/dbraw/zinc/15/22/80/559152280.db2.gz JUFFCSPZOSYCEV-KRWDZBQOSA-N 1 3 359.514 2.164 20 0 FEADHO CCCOc1cccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414480180 559167680 /nfs/dbraw/zinc/16/76/80/559167680.db2.gz IONMUHXUZVZTPM-UHFFFAOYSA-N 1 3 361.530 2.362 20 0 FEADHO CN1CCC(C[NH2+]Cc2cc(F)cc(Cl)c2)(N2CCOCC2)CC1 ZINC000414490011 559168131 /nfs/dbraw/zinc/16/81/31/559168131.db2.gz WYLXEZUUJQHNIS-UHFFFAOYSA-N 1 3 355.885 2.365 20 0 FEADHO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNC2)[NH+]1CCCC1 ZINC000414683750 559179576 /nfs/dbraw/zinc/17/95/76/559179576.db2.gz ULZKKFOVCSLHFV-LJQANCHMSA-N 1 3 372.513 2.245 20 0 FEADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(c3c(F)cccc3F)CC2)C1 ZINC000414739991 559183765 /nfs/dbraw/zinc/18/37/65/559183765.db2.gz CTLCZCWMUDBYAL-CQSZACIVSA-N 1 3 351.441 2.342 20 0 FEADHO CCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)C(=O)Nc1ccccc1C ZINC000414745706 559184358 /nfs/dbraw/zinc/18/43/58/559184358.db2.gz PVGAUURFGIJYMF-QZTJIDSGSA-N 1 3 374.529 2.231 20 0 FEADHO CCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)C(=O)Nc1ccccc1C ZINC000414745706 559184359 /nfs/dbraw/zinc/18/43/59/559184359.db2.gz PVGAUURFGIJYMF-QZTJIDSGSA-N 1 3 374.529 2.231 20 0 FEADHO Cc1cccc(NC(=O)CN2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)c1C ZINC000414746840 559184433 /nfs/dbraw/zinc/18/44/33/559184433.db2.gz ZWGDINRRNNPRLY-MJGOQNOKSA-N 1 3 358.530 2.248 20 0 FEADHO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000414747162 559184512 /nfs/dbraw/zinc/18/45/12/559184512.db2.gz TTYBPYGOLXEVEW-UHFFFAOYSA-N 1 3 372.513 2.199 20 0 FEADHO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000414747162 559184513 /nfs/dbraw/zinc/18/45/13/559184513.db2.gz TTYBPYGOLXEVEW-UHFFFAOYSA-N 1 3 372.513 2.199 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H]1CCNC[C@H]1C ZINC000414948133 559196637 /nfs/dbraw/zinc/19/66/37/559196637.db2.gz XRKKBBITAWQIBW-LBTNJELSSA-N 1 3 358.486 2.340 20 0 FEADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414948133 559196635 /nfs/dbraw/zinc/19/66/35/559196635.db2.gz XRKKBBITAWQIBW-LBTNJELSSA-N 1 3 358.486 2.340 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)NCC2CC[NH+](CCC(C)C)CC2)c1 ZINC000414955169 559197161 /nfs/dbraw/zinc/19/71/61/559197161.db2.gz LPYWKHLNBYTYQG-UHFFFAOYSA-N 1 3 374.529 2.219 20 0 FEADHO CN(C)C(=O)N1CCC([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000415011009 559200569 /nfs/dbraw/zinc/20/05/69/559200569.db2.gz VQEJESKIRQMHON-QFBILLFUSA-N 1 3 362.493 2.254 20 0 FEADHO CCC[NH2+]CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415074221 559203917 /nfs/dbraw/zinc/20/39/17/559203917.db2.gz ZWAVRPZAYVSUSE-UHFFFAOYSA-N 1 3 350.532 2.399 20 0 FEADHO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415094388 559204923 /nfs/dbraw/zinc/20/49/23/559204923.db2.gz XAOGUEGVCKWRJT-LBTNJELSSA-N 1 3 353.894 2.203 20 0 FEADHO COc1ccccc1CC(=O)N1CCC(N[C@@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000415100291 559205303 /nfs/dbraw/zinc/20/53/03/559205303.db2.gz HUUMBEZGXZBDBL-LPHOPBHVSA-N 1 3 359.514 2.349 20 0 FEADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)cc1 ZINC000415108285 559205503 /nfs/dbraw/zinc/20/55/03/559205503.db2.gz PUJKMWMKXIYHTD-CQSZACIVSA-N 1 3 370.453 2.224 20 0 FEADHO O=C1N[C@@H]2CN(C[C@@H]3C[C@H]3c3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415136887 559207572 /nfs/dbraw/zinc/20/75/72/559207572.db2.gz ICIPNTFHIFFJBF-FFGOWVMKSA-N 1 3 354.498 2.010 20 0 FEADHO O=C1N[C@@H]2CN(CCCCOc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415140871 559208025 /nfs/dbraw/zinc/20/80/25/559208025.db2.gz NUQQURLOSJBBGS-UXHICEINSA-N 1 3 372.513 2.066 20 0 FEADHO C[C@H](CCN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccccc1 ZINC000415146982 559208974 /nfs/dbraw/zinc/20/89/74/559208974.db2.gz ZYHYTNUHCIWOIM-AHRSYUTCSA-N 1 3 356.514 2.400 20 0 FEADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC000415164519 559210846 /nfs/dbraw/zinc/21/08/46/559210846.db2.gz YOENKJHMGRDXIS-DNVCBOLYSA-N 1 3 368.481 2.152 20 0 FEADHO Cc1cc(NC(=O)N[C@@](C)(C[NH3+])CC(C)C)n(C2CCN(C)CC2)n1 ZINC000415253798 559218698 /nfs/dbraw/zinc/21/86/98/559218698.db2.gz QZHKXDQZULRXEW-GOSISDBHSA-N 1 3 350.511 2.343 20 0 FEADHO CCCN(C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1)[C@H]1CC[NH2+]C1 ZINC000415405468 559232073 /nfs/dbraw/zinc/23/20/73/559232073.db2.gz OJLAERBQSKECJC-IBGZPJMESA-N 1 3 372.513 2.212 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NC[C@]3(C)CCC[NH2+]C3)c2)CC1 ZINC000415495225 559243397 /nfs/dbraw/zinc/24/33/97/559243397.db2.gz IVVUAVPTGMSWFZ-HXUWFJFHSA-N 1 3 359.518 2.340 20 0 FEADHO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415758588 559268343 /nfs/dbraw/zinc/26/83/43/559268343.db2.gz KHBBEZDLHWVSIB-UHFFFAOYSA-N 1 3 360.502 2.245 20 0 FEADHO CN(C)CCn1nccc1NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000415762010 559268592 /nfs/dbraw/zinc/26/85/92/559268592.db2.gz VIAXGLZCKJTWND-GOSISDBHSA-N 1 3 366.469 2.419 20 0 FEADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000415913951 559282224 /nfs/dbraw/zinc/28/22/24/559282224.db2.gz SQDRZLAERPSVGZ-NRFANRHFSA-N 1 3 368.481 2.165 20 0 FEADHO CN(C)[C@H](CNC(=O)Nc1ccc(OCC[NH3+])cc1)Cc1ccccc1 ZINC000415960140 559285262 /nfs/dbraw/zinc/28/52/62/559285262.db2.gz NQYRHRCBJUVISW-SFHVURJKSA-N 1 3 356.470 2.319 20 0 FEADHO [NH3+]CC[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(F)(F)F ZINC000415989741 559287149 /nfs/dbraw/zinc/28/71/49/559287149.db2.gz BEYAQBAPZOUQQP-GJZGRUSLSA-N 1 3 358.408 2.402 20 0 FEADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416010863 559288992 /nfs/dbraw/zinc/28/89/92/559288992.db2.gz QZBCKCISKWBRSO-HNNXBMFYSA-N 1 3 373.423 2.219 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416029584 559289919 /nfs/dbraw/zinc/28/99/19/559289919.db2.gz LLWHAHFHAKEQBB-VHDGCEQUSA-N 1 3 358.408 2.086 20 0 FEADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)C1CC1 ZINC000416036142 559290135 /nfs/dbraw/zinc/29/01/35/559290135.db2.gz XNPNAWGWHPFDJE-JKSUJKDBSA-N 1 3 372.435 2.476 20 0 FEADHO CN(C)[C@@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)Cc1ccccc1 ZINC000416833176 559334281 /nfs/dbraw/zinc/33/42/81/559334281.db2.gz JETROTBBXQNDKE-OAQYLSRUSA-N 1 3 368.525 2.372 20 0 FEADHO COC[C@]1(CNC(=O)NCc2ccccc2CN2CCCCC2)CCC[NH2+]1 ZINC000416907217 559337631 /nfs/dbraw/zinc/33/76/31/559337631.db2.gz UGWMCWNHEOXIHB-OAQYLSRUSA-N 1 3 374.529 2.240 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(OC)c1 ZINC000416919285 559338395 /nfs/dbraw/zinc/33/83/95/559338395.db2.gz JTIPMBGYNZIUFE-QWFCFKBJSA-N 1 3 374.529 2.329 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1cccc(OC)c1 ZINC000416928600 559338795 /nfs/dbraw/zinc/33/87/95/559338795.db2.gz VAAZLIUBUSVHFG-NLWGTHIKSA-N 1 3 374.529 2.329 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000416967382 559340625 /nfs/dbraw/zinc/34/06/25/559340625.db2.gz GYYGZUUUCSKJQN-IBGZPJMESA-N 1 3 374.529 2.158 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000416975288 559341378 /nfs/dbraw/zinc/34/13/78/559341378.db2.gz NOBKPKYIIPONHR-IBGZPJMESA-N 1 3 362.518 2.334 20 0 FEADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CNCCC2(F)F)c1 ZINC000416989624 559342361 /nfs/dbraw/zinc/34/23/61/559342361.db2.gz VSTNQMJKYYVFIF-MRXNPFEDSA-N 1 3 354.445 2.325 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000416997420 559342883 /nfs/dbraw/zinc/34/28/83/559342883.db2.gz ADGAMFDIQCBITM-KBPBESRZSA-N 1 3 360.474 2.427 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccccc2C1 ZINC000417014227 559343702 /nfs/dbraw/zinc/34/37/02/559343702.db2.gz KVNCRWGAEDNNCG-MISYRCLQSA-N 1 3 356.514 2.074 20 0 FEADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417029385 559344692 /nfs/dbraw/zinc/34/46/92/559344692.db2.gz PBUXXEZFBVNHHR-ZCNNSNEGSA-N 1 3 356.514 2.465 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417034111 559344978 /nfs/dbraw/zinc/34/49/78/559344978.db2.gz RSXSIHRDMCKSON-OAQYLSRUSA-N 1 3 356.514 2.220 20 0 FEADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000417105723 559348129 /nfs/dbraw/zinc/34/81/29/559348129.db2.gz GVXVXLLDIXQCAT-IBGZPJMESA-N 1 3 356.514 2.436 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417202762 559352742 /nfs/dbraw/zinc/35/27/42/559352742.db2.gz XUTJPJIKOMPTCW-FQEVSTJZSA-N 1 3 354.498 2.330 20 0 FEADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c2ccccc2)CC1 ZINC000417216489 559353463 /nfs/dbraw/zinc/35/34/63/559353463.db2.gz PHPCOJIDOUPQBI-AQNXPRMDSA-N 1 3 356.514 2.463 20 0 FEADHO CCC[NH2+]CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000417332196 559357965 /nfs/dbraw/zinc/35/79/65/559357965.db2.gz NRPMLWQYTFUKAJ-UHFFFAOYSA-N 1 3 362.518 2.206 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)CC2)cc1 ZINC000417336397 559358290 /nfs/dbraw/zinc/35/82/90/559358290.db2.gz VEJLQOLUBKURAE-JXFKEZNVSA-N 1 3 374.529 2.286 20 0 FEADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417584149 559367896 /nfs/dbraw/zinc/36/78/96/559367896.db2.gz AYYHVMZAUKXSNO-LJQANCHMSA-N 1 3 372.513 2.197 20 0 FEADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417586685 559368172 /nfs/dbraw/zinc/36/81/72/559368172.db2.gz CJTIQXMBAKFKCQ-MJGOQNOKSA-N 1 3 374.529 2.430 20 0 FEADHO CCCN(C(=O)NC1CCN(CCOC(C)C)CC1)C1CC[NH2+]CC1 ZINC000417811194 559377284 /nfs/dbraw/zinc/37/72/84/559377284.db2.gz OKHABJFHVIHJMN-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO COC[C@]1(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC000417830397 559378291 /nfs/dbraw/zinc/37/82/91/559378291.db2.gz GTYAEVLVNUGBSZ-FBBABVLZSA-N 1 3 374.529 2.107 20 0 FEADHO O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418071464 559389004 /nfs/dbraw/zinc/38/90/04/559389004.db2.gz IVMSCVIVEKYVSM-UXHICEINSA-N 1 3 374.529 2.109 20 0 FEADHO [NH3+]C[C@H](NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CCCC1 ZINC000418073343 559389075 /nfs/dbraw/zinc/38/90/75/559389075.db2.gz MHNDHYCLAVLZRX-UXHICEINSA-N 1 3 374.529 2.094 20 0 FEADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000418143319 559391827 /nfs/dbraw/zinc/39/18/27/559391827.db2.gz LWKCQEVTYFHTTD-PZJWPPBQSA-N 1 3 356.514 2.292 20 0 FEADHO CO[C@@H]1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000418157014 559392261 /nfs/dbraw/zinc/39/22/61/559392261.db2.gz XMSYOOVPIBVEJH-VAMGGRTRSA-N 1 3 374.529 2.045 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)N3CCC(C[NH3+])CC3)cc2)CC1 ZINC000418172385 559392889 /nfs/dbraw/zinc/39/28/89/559392889.db2.gz RMURWZNZSJQISL-UHFFFAOYSA-N 1 3 360.502 2.040 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)N(C)C)cc1 ZINC000418179707 559393159 /nfs/dbraw/zinc/39/31/59/559393159.db2.gz ARYMXOREWASDJL-GPMSIDNRSA-N 1 3 362.518 2.468 20 0 FEADHO CC(C)Oc1ccc([C@@H](CNC(=O)N2C[C@@H](C)NC[C@H]2C)[NH+](C)C)cc1 ZINC000418179707 559393160 /nfs/dbraw/zinc/39/31/60/559393160.db2.gz ARYMXOREWASDJL-GPMSIDNRSA-N 1 3 362.518 2.468 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)N(C)C)cc1 ZINC000418193571 559393616 /nfs/dbraw/zinc/39/36/16/559393616.db2.gz DCKNLABGZRQQIZ-BXWFABGCSA-N 1 3 362.518 2.455 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)NCC[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418215751 559394250 /nfs/dbraw/zinc/39/42/50/559394250.db2.gz YYONNNCOXUOIAT-LPHOPBHVSA-N 1 3 362.518 2.375 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000418229266 559394768 /nfs/dbraw/zinc/39/47/68/559394768.db2.gz GOOUERSRTRAJQK-NUJGCVRESA-N 1 3 362.543 2.262 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)N(C)C)cc1 ZINC000418232128 559394860 /nfs/dbraw/zinc/39/48/60/559394860.db2.gz MANLFHSCMLBMTE-UNEWFSDZSA-N 1 3 350.532 2.451 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)N(C)C)cc1 ZINC000418235326 559395013 /nfs/dbraw/zinc/39/50/13/559395013.db2.gz SDCOBKLRGZOBSL-NJAFHUGGSA-N 1 3 362.543 2.405 20 0 FEADHO CN(Cc1ccccc1)C1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000418240150 559395274 /nfs/dbraw/zinc/39/52/74/559395274.db2.gz IHHPJHRXJALCGV-OALUTQOASA-N 1 3 356.514 2.292 20 0 FEADHO O=C(NCCCNCc1cccnc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418323144 559397295 /nfs/dbraw/zinc/39/72/95/559397295.db2.gz DPMIVKQPYGWIKC-UHFFFAOYSA-N 1 3 359.518 2.079 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418331055 559397641 /nfs/dbraw/zinc/39/76/41/559397641.db2.gz CIGWBFRDALMUSH-YSIASYRMSA-N 1 3 373.545 2.466 20 0 FEADHO O=C(NCC[C@@H]1CC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418330362 559397664 /nfs/dbraw/zinc/39/76/64/559397664.db2.gz CJLZIBUKBOPXJR-IHPCNDPISA-N 1 3 356.514 2.150 20 0 FEADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000418330455 559397705 /nfs/dbraw/zinc/39/77/05/559397705.db2.gz BYJUITKNXZHBJL-GJZGRUSLSA-N 1 3 368.472 2.426 20 0 FEADHO O=C(NCC[C@H]1CCC[NH2+]1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418551908 559405760 /nfs/dbraw/zinc/40/57/60/559405760.db2.gz QPQOCJQEVRZCPU-CTNGQTDRSA-N 1 3 356.514 2.436 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000418551325 559405765 /nfs/dbraw/zinc/40/57/65/559405765.db2.gz ISSQITRYUZNTJP-UHFFFAOYSA-N 1 3 374.529 2.322 20 0 FEADHO CN(C)[C@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000418720589 559412351 /nfs/dbraw/zinc/41/23/51/559412351.db2.gz GKTNCKWPJAAKAR-YTQUADARSA-N 1 3 362.493 2.254 20 0 FEADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1CNCCC1(F)F ZINC000418750267 559413890 /nfs/dbraw/zinc/41/38/90/559413890.db2.gz DGBLVVIEWXDRTC-GFCCVEGCSA-N 1 3 374.398 2.289 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418795594 559416366 /nfs/dbraw/zinc/41/63/66/559416366.db2.gz QQYWFEPXSARBAH-JENIJYKNSA-N 1 3 362.493 2.287 20 0 FEADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000419173819 559431251 /nfs/dbraw/zinc/43/12/51/559431251.db2.gz UOODNSGZFXREOJ-APWZRJJASA-N 1 3 374.529 2.093 20 0 FEADHO C[C@H](c1nc(-c2cccs2)no1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420315743 559479834 /nfs/dbraw/zinc/47/98/34/559479834.db2.gz LGASQBLMDMWKTN-CABCVRRESA-N 1 3 361.515 2.476 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CC[NH2+]CC12CCCCC2)c1ccccc1 ZINC000420323328 559480471 /nfs/dbraw/zinc/48/04/71/559480471.db2.gz UFFADDNBOCMDQT-LJQANCHMSA-N 1 3 358.530 2.014 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CC[NH2+]CC12CCCCC2)c1ccccc1 ZINC000420323322 559480571 /nfs/dbraw/zinc/48/05/71/559480571.db2.gz UFFADDNBOCMDQT-IBGZPJMESA-N 1 3 358.530 2.014 20 0 FEADHO CCCOc1ccc(CNC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420329206 559480988 /nfs/dbraw/zinc/48/09/88/559480988.db2.gz NZJQAZASBKZUDJ-RBUKOAKNSA-N 1 3 359.514 2.413 20 0 FEADHO CCC[C@H](C)NC(=O)[C@@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420973418 559515738 /nfs/dbraw/zinc/51/57/38/559515738.db2.gz CIYMLDUBBLIGFE-ZWKOTPCHSA-N 1 3 352.567 2.172 20 0 FEADHO CCC[C@H](C)NC(=O)[C@@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420973418 559515739 /nfs/dbraw/zinc/51/57/39/559515739.db2.gz CIYMLDUBBLIGFE-ZWKOTPCHSA-N 1 3 352.567 2.172 20 0 FEADHO CCN1CCN(C[C@H](C)CN[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422711518 559603972 /nfs/dbraw/zinc/60/39/72/559603972.db2.gz HBMUIGULEXEBBF-COPCDDAFSA-N 1 3 374.573 2.352 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000422809463 559607274 /nfs/dbraw/zinc/60/72/74/559607274.db2.gz PVYOAILWDBHXNJ-CBVHJVASSA-N 1 3 367.921 2.055 20 0 FEADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422831586 559607758 /nfs/dbraw/zinc/60/77/58/559607758.db2.gz WTKWLJJHKKYZCF-FPMFFAJLSA-N 1 3 355.866 2.019 20 0 FEADHO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000422831586 559607759 /nfs/dbraw/zinc/60/77/59/559607759.db2.gz WTKWLJJHKKYZCF-FPMFFAJLSA-N 1 3 355.866 2.019 20 0 FEADHO COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CCOCC1 ZINC000422898872 559610409 /nfs/dbraw/zinc/61/04/09/559610409.db2.gz NCVQGBFTLNVGML-YQVWRLOYSA-N 1 3 362.514 2.394 20 0 FEADHO COc1ccc(C)cc1C1(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CCOCC1 ZINC000422898872 559610410 /nfs/dbraw/zinc/61/04/10/559610410.db2.gz NCVQGBFTLNVGML-YQVWRLOYSA-N 1 3 362.514 2.394 20 0 FEADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000422906313 559610701 /nfs/dbraw/zinc/61/07/01/559610701.db2.gz JOHYKSGPFFXFSQ-UWJYYQICSA-N 1 3 368.525 2.026 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2ccnc(N3CCCCC3)c2)CC[NH2+]CC1 ZINC000422905847 559610798 /nfs/dbraw/zinc/61/07/98/559610798.db2.gz ZOBQPIYPBUHNMR-QGZVFWFLSA-N 1 3 374.529 2.483 20 0 FEADHO CCC[C@H](N[C@@H](CCC[NH3+])COC)C(=O)N1CCc2sccc2C1 ZINC000422911308 559610914 /nfs/dbraw/zinc/61/09/14/559610914.db2.gz SQRRPDILLSAUIR-HOTGVXAUSA-N 1 3 353.532 2.145 20 0 FEADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000422911112 559611048 /nfs/dbraw/zinc/61/10/48/559611048.db2.gz SGHSYAABCYENQK-FXAWDEMLSA-N 1 3 360.546 2.378 20 0 FEADHO COC[C@@H](CCC[NH3+])NCc1cc(Br)c(OC)c(OC)c1 ZINC000422942674 559612334 /nfs/dbraw/zinc/61/23/34/559612334.db2.gz JNCBTPTYTDBGMK-GFCCVEGCSA-N 1 3 361.280 2.310 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994178 559614208 /nfs/dbraw/zinc/61/42/08/559614208.db2.gz UTTVRHZUMMUPKK-UICACZKSSA-N 1 3 360.420 2.198 20 0 FEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994178 559614209 /nfs/dbraw/zinc/61/42/09/559614209.db2.gz UTTVRHZUMMUPKK-UICACZKSSA-N 1 3 360.420 2.198 20 0 FEADHO CCOC1CC(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)(N2CCOCC2)C1 ZINC000423073592 559617551 /nfs/dbraw/zinc/61/75/51/559617551.db2.gz JEWHLOPLPZMNGY-COPLXBQBSA-N 1 3 365.562 2.157 20 0 FEADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOc1ccc(I)cc1 ZINC000423107257 559619333 /nfs/dbraw/zinc/61/93/33/559619333.db2.gz DZPACVAJIPFKAN-SMDDNHRTSA-N 1 3 360.239 2.387 20 0 FEADHO C[C@@H](CCCC[NH3+])[NH2+]CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000423113384 559619680 /nfs/dbraw/zinc/61/96/80/559619680.db2.gz YQEGFXGVVCLLRW-NSHDSACASA-N 1 3 368.330 2.379 20 0 FEADHO CC1CCN([C@H](CNC(=O)COC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000423365665 559626913 /nfs/dbraw/zinc/62/69/13/559626913.db2.gz ZYPNDZFYZYVSHI-HXUWFJFHSA-N 1 3 359.514 2.344 20 0 FEADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423391386 559627681 /nfs/dbraw/zinc/62/76/81/559627681.db2.gz PIGLSDRXHFLCSF-VQIMIIECSA-N 1 3 361.530 2.264 20 0 FEADHO COC[C@@]1(C(=O)Nc2ccc(OCCN3CCCC3)c(C)c2)CC[NH2+]C1 ZINC000423420933 559628530 /nfs/dbraw/zinc/62/85/30/559628530.db2.gz XIAODBJSUJIRKE-HXUWFJFHSA-N 1 3 361.486 2.034 20 0 FEADHO C[C@@H]1CC[NH2+][C@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000423428748 559628907 /nfs/dbraw/zinc/62/89/07/559628907.db2.gz RPCNCJOHUKLWIP-BEFAXECRSA-N 1 3 363.477 2.173 20 0 FEADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)COC1CC[NH2+]CC1 ZINC000423427132 559628922 /nfs/dbraw/zinc/62/89/22/559628922.db2.gz IFCRHYPEBNGBKS-IBGZPJMESA-N 1 3 359.514 2.126 20 0 FEADHO COCCNCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000423765453 559638847 /nfs/dbraw/zinc/63/88/47/559638847.db2.gz XFFMPOIYMMXVML-UHFFFAOYSA-N 1 3 353.894 2.000 20 0 FEADHO C[C@@H]1C[C@@H](CCNC(=O)CNC[C@H]2CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000423894655 559644514 /nfs/dbraw/zinc/64/45/14/559644514.db2.gz FASQFSHQEQLZJL-MISYRCLQSA-N 1 3 359.514 2.172 20 0 FEADHO C[C@@H]1C[C@@H](CCNC(=O)CNC[C@H]2CCCO2)C[N@H+]1Cc1ccccc1 ZINC000423894655 559644515 /nfs/dbraw/zinc/64/45/15/559644515.db2.gz FASQFSHQEQLZJL-MISYRCLQSA-N 1 3 359.514 2.172 20 0 FEADHO CC(C)[C@H](C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)N1CCCCC1 ZINC000424010542 559650899 /nfs/dbraw/zinc/65/08/99/559650899.db2.gz LGSKUFJWKFOWLC-IPMKNSEASA-N 1 3 351.535 2.242 20 0 FEADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(C(=O)NCCN(C)C)cc3)C[C@H]2C1 ZINC000424304308 559661004 /nfs/dbraw/zinc/66/10/04/559661004.db2.gz QSTWNVIKSIORMC-AVCFWEGKSA-N 1 3 359.514 2.271 20 0 FEADHO Cc1cc(C[NH3+])cc(NC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1 ZINC000424428230 559664251 /nfs/dbraw/zinc/66/42/51/559664251.db2.gz SCGYADHLARZGLT-HXUWFJFHSA-N 1 3 368.481 2.342 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000424454948 559665750 /nfs/dbraw/zinc/66/57/50/559665750.db2.gz QNDFJOVYPPGANO-CEXWTWQISA-N 1 3 362.518 2.265 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000426312255 559732533 /nfs/dbraw/zinc/73/25/33/559732533.db2.gz ILALBLLUQQZBHF-HNNXBMFYSA-N 1 3 358.477 2.422 20 0 FEADHO C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)C[C@@H](C)O1 ZINC000426666790 559739842 /nfs/dbraw/zinc/73/98/42/559739842.db2.gz VMKHXTNXTWITAW-MBOZVWFJSA-N 1 3 363.546 2.351 20 0 FEADHO C[NH+](C)CC1(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CCCCC1 ZINC000427180766 559749885 /nfs/dbraw/zinc/74/98/85/559749885.db2.gz YWGZBMOLXPUVNJ-HXUWFJFHSA-N 1 3 373.541 2.034 20 0 FEADHO O=C(C[C@H]1CCC[NH2+]CC1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000427291693 559752322 /nfs/dbraw/zinc/75/23/22/559752322.db2.gz IWYKVEJGENZSLW-FQEVSTJZSA-N 1 3 372.557 2.090 20 0 FEADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCC[N@@H+]1C ZINC000428962245 559786865 /nfs/dbraw/zinc/78/68/65/559786865.db2.gz BKZWMGIZGWOSBB-YZGWKJHDSA-N 1 3 374.529 2.059 20 0 FEADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCC[N@H+]1C ZINC000428962245 559786866 /nfs/dbraw/zinc/78/68/66/559786866.db2.gz BKZWMGIZGWOSBB-YZGWKJHDSA-N 1 3 374.529 2.059 20 0 FEADHO COc1ccccc1-c1ncc(CN(C)CCC[NH+]2CCN(C)CC2)cn1 ZINC000430072452 559812509 /nfs/dbraw/zinc/81/25/09/559812509.db2.gz SHMCCAUROHXBJM-UHFFFAOYSA-N 1 3 369.513 2.222 20 0 FEADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430572322 559823235 /nfs/dbraw/zinc/82/32/35/559823235.db2.gz FPEGJVTYIYXEOQ-NLWGTHIKSA-N 1 3 372.557 2.215 20 0 FEADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000430915029 559830334 /nfs/dbraw/zinc/83/03/34/559830334.db2.gz BIORVPQHBTZJCB-ROUUACIJSA-N 1 3 372.557 2.215 20 0 FEADHO C[C@H]([NH3+])C1CCN(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC1 ZINC000430917386 559830338 /nfs/dbraw/zinc/83/03/38/559830338.db2.gz CUQYUPWAEICASK-ZDUSSCGKSA-N 1 3 355.429 2.306 20 0 FEADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000431027783 559832669 /nfs/dbraw/zinc/83/26/69/559832669.db2.gz KWGDMKGEFNXPSV-WOJBJXKFSA-N 1 3 373.545 2.008 20 0 FEADHO CN(CCOc1ccc(Cl)cc1)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431034458 559832859 /nfs/dbraw/zinc/83/28/59/559832859.db2.gz OHSBDWUVBYWGLX-UHFFFAOYSA-N 1 3 365.905 2.253 20 0 FEADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NC1CCN(CCOC)CC1 ZINC000431792472 559846107 /nfs/dbraw/zinc/84/61/07/559846107.db2.gz CQRNZQYRKMPCQP-IEBWSBKVSA-N 1 3 368.566 2.297 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc2c(c1)COC2 ZINC000432492599 559859715 /nfs/dbraw/zinc/85/97/15/559859715.db2.gz VECNPTZDNMXZEC-FQEVSTJZSA-N 1 3 374.529 2.274 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc2c(c1)COC2 ZINC000432492599 559859716 /nfs/dbraw/zinc/85/97/16/559859716.db2.gz VECNPTZDNMXZEC-FQEVSTJZSA-N 1 3 374.529 2.274 20 0 FEADHO CC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433009910 559869962 /nfs/dbraw/zinc/86/99/62/559869962.db2.gz AGZWNWLWYABKNP-QGZVFWFLSA-N 1 3 353.532 2.291 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433278015 559875434 /nfs/dbraw/zinc/87/54/34/559875434.db2.gz DEGXXRMXJPFMNQ-MOPGFXCFSA-N 1 3 368.566 2.441 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433278015 559875435 /nfs/dbraw/zinc/87/54/35/559875435.db2.gz DEGXXRMXJPFMNQ-MOPGFXCFSA-N 1 3 368.566 2.441 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000433382507 559879339 /nfs/dbraw/zinc/87/93/39/559879339.db2.gz ORZLEPSREMQFGF-QGZVFWFLSA-N 1 3 356.474 2.297 20 0 FEADHO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H](C)N3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000434430695 559900301 /nfs/dbraw/zinc/90/03/01/559900301.db2.gz BKWAPSVQLKJPBX-OTWHNJEPSA-N 1 3 364.578 2.265 20 0 FEADHO CC1(C)Cc2cccc(CN3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)c2O1 ZINC000435379319 559921900 /nfs/dbraw/zinc/92/19/00/559921900.db2.gz LZZONTNYGMNWRC-APWZRJJASA-N 1 3 371.525 2.480 20 0 FEADHO CCC[N@H+](Cc1ccc(OCC(=O)NCC)c(OC)c1)C1CCNCC1 ZINC000435377557 559921940 /nfs/dbraw/zinc/92/19/40/559921940.db2.gz CVADFZKSPKSBGW-UHFFFAOYSA-N 1 3 363.502 2.174 20 0 FEADHO CCC[N@@H+](Cc1ccc(OCC(=O)NCC)c(OC)c1)C1CCNCC1 ZINC000435377557 559921941 /nfs/dbraw/zinc/92/19/41/559921941.db2.gz CVADFZKSPKSBGW-UHFFFAOYSA-N 1 3 363.502 2.174 20 0 FEADHO CC1CC[NH+](CCCCNC(=O)Nc2ccnn2CCN(C)C)CC1 ZINC000436483697 559942767 /nfs/dbraw/zinc/94/27/67/559942767.db2.gz ARQZMZNKJIBBAC-UHFFFAOYSA-N 1 3 350.511 2.078 20 0 FEADHO COCCN(C)CCCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437799213 559969814 /nfs/dbraw/zinc/96/98/14/559969814.db2.gz VXYGVWRVDHYRRZ-GOSISDBHSA-N 1 3 354.539 2.051 20 0 FEADHO COCCN(C)CCCNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437799213 559969815 /nfs/dbraw/zinc/96/98/15/559969815.db2.gz VXYGVWRVDHYRRZ-GOSISDBHSA-N 1 3 354.539 2.051 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000438195260 559975490 /nfs/dbraw/zinc/97/54/90/559975490.db2.gz BLYOFKDFTGZULI-HOTGVXAUSA-N 1 3 351.457 2.087 20 0 FEADHO C[C@@H]1C[NH+](CCCCNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)C[C@@H](C)O1 ZINC000438895910 559985314 /nfs/dbraw/zinc/98/53/14/559985314.db2.gz RTIQEVPUMQPFTF-MDZRGWNJSA-N 1 3 372.513 2.043 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000442339585 560049583 /nfs/dbraw/zinc/04/95/83/560049583.db2.gz GDAABOUVJBAARX-MRXNPFEDSA-N 1 3 372.513 2.234 20 0 FEADHO CCOc1ccc([C@@H](C)NC(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000443062400 560068767 /nfs/dbraw/zinc/06/87/67/560068767.db2.gz XCVBADMSTFNAFF-CVEARBPZSA-N 1 3 363.502 2.332 20 0 FEADHO CN(CCOc1ccc(Cl)cc1)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443079378 560069679 /nfs/dbraw/zinc/06/96/79/560069679.db2.gz ZGSCNFNMNFJFRC-OAHLLOKOSA-N 1 3 353.894 2.238 20 0 FEADHO COc1ccc(-c2ccc([C@@H](C)N3CCN(CCO)CC3)cc2)c(C[NH3+])c1 ZINC000527587777 562296677 /nfs/dbraw/zinc/29/66/77/562296677.db2.gz GRVQZYISUREDOZ-QGZVFWFLSA-N 1 3 369.509 2.492 20 0 FEADHO CN(C)CC[NH+]1CCC(NCc2ncc(Br)cc2F)CC1 ZINC000527636952 562298435 /nfs/dbraw/zinc/29/84/35/562298435.db2.gz SEEVNSYQGLLWSZ-UHFFFAOYSA-N 1 3 359.287 2.099 20 0 FEADHO C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000445545745 560132807 /nfs/dbraw/zinc/13/28/07/560132807.db2.gz BPCCMLJRHNMKCC-UHFFFAOYSA-N 1 3 374.529 2.110 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000446290011 560143687 /nfs/dbraw/zinc/14/36/87/560143687.db2.gz UJIJRHYKPNWWJL-JQVVWYNYSA-N 1 3 371.525 2.431 20 0 FEADHO COc1ccc(CNC(=O)CC[N@@H+]2CCC[C@@H](N(C)C)CC2)c(OC)c1 ZINC000450858556 560275925 /nfs/dbraw/zinc/27/59/25/560275925.db2.gz SZYQVAWSLLOTMO-QGZVFWFLSA-N 1 3 363.502 2.126 20 0 FEADHO COc1ccc(CNC(=O)CC[N@H+]2CCC[C@@H](N(C)C)CC2)c(OC)c1 ZINC000450858556 560275926 /nfs/dbraw/zinc/27/59/26/560275926.db2.gz SZYQVAWSLLOTMO-QGZVFWFLSA-N 1 3 363.502 2.126 20 0 FEADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000452341839 560358600 /nfs/dbraw/zinc/35/86/00/560358600.db2.gz FVGAJROUNWSFRI-OALUTQOASA-N 1 3 353.551 2.406 20 0 FEADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(Cc4ccccc4)CCC3(F)F)C[C@@H]21 ZINC000452961512 560379289 /nfs/dbraw/zinc/37/92/89/560379289.db2.gz ATABKLRPMOLDJP-SQNIBIBYSA-N 1 3 363.452 2.306 20 0 FEADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(Cc4ccccc4)CCC3(F)F)C[C@@H]21 ZINC000452961512 560379290 /nfs/dbraw/zinc/37/92/90/560379290.db2.gz ATABKLRPMOLDJP-SQNIBIBYSA-N 1 3 363.452 2.306 20 0 FEADHO CC(C)N1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000453640738 560392679 /nfs/dbraw/zinc/39/26/79/560392679.db2.gz SYWAOHSVWWKZEO-LJQANCHMSA-N 1 3 372.513 2.117 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1 ZINC000454113599 560430460 /nfs/dbraw/zinc/43/04/60/560430460.db2.gz WBCXVKRBMFKQQJ-IBGZPJMESA-N 1 3 374.529 2.408 20 0 FEADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454624788 560451729 /nfs/dbraw/zinc/45/17/29/560451729.db2.gz SMZHAVVRBCBQQB-FRYIKTPZSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454624788 560451730 /nfs/dbraw/zinc/45/17/30/560451730.db2.gz SMZHAVVRBCBQQB-FRYIKTPZSA-N 1 3 356.514 2.243 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccnn1CCN(C)C ZINC000455662105 560490945 /nfs/dbraw/zinc/49/09/45/560490945.db2.gz VDYJHAXTJJTDOC-INIZCTEOSA-N 1 3 350.511 2.077 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccnn1CCN(C)C ZINC000455662105 560490946 /nfs/dbraw/zinc/49/09/46/560490946.db2.gz VDYJHAXTJJTDOC-INIZCTEOSA-N 1 3 350.511 2.077 20 0 FEADHO CN(C)[C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)Cc1ccccc1 ZINC000457480951 560569627 /nfs/dbraw/zinc/56/96/27/560569627.db2.gz KZSBXKUWMLEHJS-FQEVSTJZSA-N 1 3 358.530 2.475 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000459272460 560677032 /nfs/dbraw/zinc/67/70/32/560677032.db2.gz XJGJHLAUMXZJAH-KRWDZBQOSA-N 1 3 350.507 2.393 20 0 FEADHO Cc1ccc(CN(CCN(C)C)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000459272460 560677033 /nfs/dbraw/zinc/67/70/33/560677033.db2.gz XJGJHLAUMXZJAH-KRWDZBQOSA-N 1 3 350.507 2.393 20 0 FEADHO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000459338306 560680694 /nfs/dbraw/zinc/68/06/94/560680694.db2.gz SAOGDMZGANYPFL-MRXNPFEDSA-N 1 3 370.497 2.374 20 0 FEADHO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000459338306 560680695 /nfs/dbraw/zinc/68/06/95/560680695.db2.gz SAOGDMZGANYPFL-MRXNPFEDSA-N 1 3 370.497 2.374 20 0 FEADHO c1cc(CNC2CC[NH+](C3CC3)CC2)cc(OCCN2CCOCC2)c1 ZINC000459380069 560683421 /nfs/dbraw/zinc/68/34/21/560683421.db2.gz AOZGCILFDZJMCR-UHFFFAOYSA-N 1 3 359.514 2.114 20 0 FEADHO CCO[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CCN(C)CC2)[C@H]1SC ZINC000459418259 560685494 /nfs/dbraw/zinc/68/54/94/560685494.db2.gz IQXSBBCTNHMQNH-RCCFBDPRSA-N 1 3 355.592 2.435 20 0 FEADHO CS(=O)(=O)c1ccc(F)c(CNC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459525920 560692039 /nfs/dbraw/zinc/69/20/39/560692039.db2.gz IPVYOYMDUCEFIO-UHFFFAOYSA-N 1 3 363.458 2.383 20 0 FEADHO CSC1(CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)CCN(C)CC1 ZINC000460882109 560754370 /nfs/dbraw/zinc/75/43/70/560754370.db2.gz KGPOUDFRBORVML-MRXNPFEDSA-N 1 3 356.580 2.378 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000462015433 560792593 /nfs/dbraw/zinc/79/25/93/560792593.db2.gz JRYBXYAWIBDZKC-IBGZPJMESA-N 1 3 370.541 2.332 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000462015433 560792595 /nfs/dbraw/zinc/79/25/95/560792595.db2.gz JRYBXYAWIBDZKC-IBGZPJMESA-N 1 3 370.541 2.332 20 0 FEADHO CN(C(=O)CC1(C[NH3+])CCCCC1)C1CCN(CCn2cccn2)CC1 ZINC000463497618 560817408 /nfs/dbraw/zinc/81/74/08/560817408.db2.gz VNERKKJAJLJFGU-UHFFFAOYSA-N 1 3 361.534 2.105 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@H]3C[NH+](C)C)CC2)c1 ZINC000464918694 560855006 /nfs/dbraw/zinc/85/50/06/560855006.db2.gz GPXCPVRJJWDIGD-HXUWFJFHSA-N 1 3 358.530 2.060 20 0 FEADHO CN(C)C1(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)Cc2ccccc2C1 ZINC000465945881 560876607 /nfs/dbraw/zinc/87/66/07/560876607.db2.gz BKOXAJWWPQCLML-LJQANCHMSA-N 1 3 370.541 2.402 20 0 FEADHO CN(C)C1(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)Cc2ccccc2C1 ZINC000465945881 560876609 /nfs/dbraw/zinc/87/66/09/560876609.db2.gz BKOXAJWWPQCLML-LJQANCHMSA-N 1 3 370.541 2.402 20 0 FEADHO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000467387649 560909305 /nfs/dbraw/zinc/90/93/05/560909305.db2.gz HMAJILWGEAFYNH-NHCUHLMSSA-N 1 3 374.573 2.396 20 0 FEADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)CCS2 ZINC000467422290 560909791 /nfs/dbraw/zinc/90/97/91/560909791.db2.gz ZVWMYOVSAFRLMA-PBHICJAKSA-N 1 3 363.527 2.409 20 0 FEADHO CCCN(CCC[NH+](C)C)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000468325651 560927162 /nfs/dbraw/zinc/92/71/62/560927162.db2.gz HTNOQJDGGXHWLI-UHFFFAOYSA-N 1 3 356.555 2.249 20 0 FEADHO C[NH2+]CCC1CCN(Cc2c(C)nn(CC(=O)OC(C)C)c2C)CC1 ZINC000469851949 560966598 /nfs/dbraw/zinc/96/65/98/560966598.db2.gz JYDPMYCFNPKARY-UHFFFAOYSA-N 1 3 350.507 2.273 20 0 FEADHO C[C@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)N1CCCCCC1 ZINC000469923901 560969039 /nfs/dbraw/zinc/96/90/39/560969039.db2.gz NZYOSTFZGCFTQQ-RTBURBONSA-N 1 3 351.535 2.354 20 0 FEADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000470002310 560971677 /nfs/dbraw/zinc/97/16/77/560971677.db2.gz HVRPDARZELJEEI-SFHVURJKSA-N 1 3 356.445 2.175 20 0 FEADHO CCCOc1c(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cccc1OCC ZINC000470021853 560972247 /nfs/dbraw/zinc/97/22/47/560972247.db2.gz CEZKGXYWIOBSNF-QGZVFWFLSA-N 1 3 363.502 2.161 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)C1 ZINC000473039594 561040950 /nfs/dbraw/zinc/04/09/50/561040950.db2.gz WUNYRTWXTSSWMF-IPMKNSEASA-N 1 3 368.566 2.249 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CC[N@H+](CC)C3)c2)CC1 ZINC000473842994 561058824 /nfs/dbraw/zinc/05/88/24/561058824.db2.gz YLNPAHPYFCVNMR-QGZVFWFLSA-N 1 3 359.518 2.292 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CC[N@@H+](CC)C3)c2)CC1 ZINC000473842994 561058825 /nfs/dbraw/zinc/05/88/25/561058825.db2.gz YLNPAHPYFCVNMR-QGZVFWFLSA-N 1 3 359.518 2.292 20 0 FEADHO CN(C)C1(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)Cc2ccccc2C1 ZINC000474310565 561070894 /nfs/dbraw/zinc/07/08/94/561070894.db2.gz KYPHRLDDZFCDHJ-UHFFFAOYSA-N 1 3 363.505 2.204 20 0 FEADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCCN(C)CC1 ZINC000474520694 561075945 /nfs/dbraw/zinc/07/59/45/561075945.db2.gz RWVKARVUKBLGOO-ROUUACIJSA-N 1 3 358.530 2.490 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000475981970 561108802 /nfs/dbraw/zinc/10/88/02/561108802.db2.gz USAUHTHITCLEMW-UHFFFAOYSA-N 1 3 368.566 2.440 20 0 FEADHO CCN1CCC(NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000476635455 561124883 /nfs/dbraw/zinc/12/48/83/561124883.db2.gz WIKYHHMQQNWCDH-UHFFFAOYSA-N 1 3 374.529 2.445 20 0 FEADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529306382 562368294 /nfs/dbraw/zinc/36/82/94/562368294.db2.gz LQASRZKPNBEHSU-SCTDSRPQSA-N 1 3 366.550 2.049 20 0 FEADHO CC(C)(CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(=O)N1CCCC1 ZINC000530224559 562402938 /nfs/dbraw/zinc/40/29/38/562402938.db2.gz QZHADUZKFXXVIO-UWJYYQICSA-N 1 3 357.498 2.481 20 0 FEADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241445 562403879 /nfs/dbraw/zinc/40/38/79/562403879.db2.gz PVUYMMCXOMSJIX-RXVVDRJESA-N 1 3 373.541 2.432 20 0 FEADHO COc1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc(OC)c1OC ZINC000530248436 562404197 /nfs/dbraw/zinc/40/41/97/562404197.db2.gz KPJNYAOIHZKAAM-QGZVFWFLSA-N 1 3 364.486 2.303 20 0 FEADHO C[NH+](C)C1(CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CCCCC1 ZINC000530565869 562416192 /nfs/dbraw/zinc/41/61/92/562416192.db2.gz KKQQLWQCBBSSOZ-NRFANRHFSA-N 1 3 359.514 2.004 20 0 FEADHO CSc1ccc(O[C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000531358007 562443255 /nfs/dbraw/zinc/44/32/55/562443255.db2.gz UTZOXKXVTLSMPJ-HNNXBMFYSA-N 1 3 353.532 2.128 20 0 FEADHO O=C(NCCNc1cc[nH+]cc1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000533812179 562518795 /nfs/dbraw/zinc/51/87/95/562518795.db2.gz QDRGEMZVJHIKDF-IBGZPJMESA-N 1 3 353.470 2.052 20 0 FEADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000563093384 568119818 /nfs/dbraw/zinc/11/98/18/568119818.db2.gz RGIGKTGPZPLZLK-HZPDHXFCSA-N 1 3 354.539 2.225 20 0 FEADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000563134938 568266938 /nfs/dbraw/zinc/26/69/38/568266938.db2.gz AOCIOVMJKFDYLU-HUUCEWRRSA-N 1 3 355.910 2.266 20 0 FEADHO COCCCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000813291433 674733996 /nfs/dbraw/zinc/73/39/96/674733996.db2.gz NDISTFBVPGOSHP-IBGZPJMESA-N 1 3 357.514 2.158 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCCSC3)CC2)CC1 ZINC000572421841 670999644 /nfs/dbraw/zinc/99/96/44/670999644.db2.gz KYKPIJUHRUNWES-INIZCTEOSA-N 1 3 353.576 2.442 20 0 FEADHO COC[C@]1(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC[NH2+]C1 ZINC000566146855 675185896 /nfs/dbraw/zinc/18/58/96/675185896.db2.gz QAEBBTILPODYCR-APWZRJJASA-N 1 3 365.543 2.263 20 0 FEADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H](O)C(C)C ZINC000574927042 671287011 /nfs/dbraw/zinc/28/70/11/671287011.db2.gz VTDNJZUDCLGODO-MOPGFXCFSA-N 1 3 353.551 2.094 20 0 FEADHO CC[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)CCO2 ZINC000817973801 675188698 /nfs/dbraw/zinc/18/86/98/675188698.db2.gz WRLGLOVTJLYTGI-WBVHZDCISA-N 1 3 357.420 2.498 20 0 FEADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCO1 ZINC000581893578 671947454 /nfs/dbraw/zinc/94/74/54/671947454.db2.gz VSYAIOUGZAMEMO-MOPGFXCFSA-N 1 3 351.535 2.257 20 0 FEADHO COC1CCC(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000122222255 671963976 /nfs/dbraw/zinc/96/39/76/671963976.db2.gz NFWOTPBSKQRCHJ-UHFFFAOYSA-N 1 3 351.535 2.257 20 0 FEADHO C[NH+](C)CCCOc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1 ZINC000683615552 672858575 /nfs/dbraw/zinc/85/85/75/672858575.db2.gz UWGSFWYXLXPHII-ZDUSSCGKSA-N 1 3 359.348 2.394 20 0 FEADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@H](O)CN2CCC(C)CC2)c1 ZINC000566234265 675196877 /nfs/dbraw/zinc/19/68/77/675196877.db2.gz KMBCUCXVBLTVNQ-DLBZAZTESA-N 1 3 370.921 2.071 20 0 FEADHO CC[C@@H](C[C@H](C)CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568195235 675357538 /nfs/dbraw/zinc/35/75/38/675357538.db2.gz ADWJSSXTNGTWJV-WMZOPIPTSA-N 1 3 353.551 2.096 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C[C@H](C)OC)C(C)C)CC2)CC1 ZINC000568200138 675358202 /nfs/dbraw/zinc/35/82/02/675358202.db2.gz QQUZMKHQYJMZLY-KRWDZBQOSA-N 1 3 353.551 2.455 20 0 FEADHO C[C@@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)N1CCCCCC1 ZINC000617112826 676270476 /nfs/dbraw/zinc/27/04/76/676270476.db2.gz KWKPDMCGTOWFPX-KRWDZBQOSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(Br)c1 ZINC000617503399 676288418 /nfs/dbraw/zinc/28/84/18/676288418.db2.gz HKGKCKUJBXDDBM-ZDUSSCGKSA-N 1 3 356.308 2.451 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(Br)c1 ZINC000617503399 676288416 /nfs/dbraw/zinc/28/84/16/676288416.db2.gz HKGKCKUJBXDDBM-ZDUSSCGKSA-N 1 3 356.308 2.451 20 0 FEADHO C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H]1OCCc2sccc21 ZINC000617508006 676289477 /nfs/dbraw/zinc/28/94/77/676289477.db2.gz RMHDAZXREHQAIH-DAYGRLMNSA-N 1 3 367.559 2.386 20 0 FEADHO C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H]1OCCc2sccc21 ZINC000617508006 676289480 /nfs/dbraw/zinc/28/94/80/676289480.db2.gz RMHDAZXREHQAIH-DAYGRLMNSA-N 1 3 367.559 2.386 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cn(C)nc1-c1cccs1 ZINC000617506681 676289573 /nfs/dbraw/zinc/28/95/73/676289573.db2.gz VWWUJDCXWPCTMQ-AWEZNQCLSA-N 1 3 363.531 2.150 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cn(C)nc1-c1cccs1 ZINC000617506681 676289575 /nfs/dbraw/zinc/28/95/75/676289575.db2.gz VWWUJDCXWPCTMQ-AWEZNQCLSA-N 1 3 363.531 2.150 20 0 FEADHO CN1CCN([C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623336166 676530185 /nfs/dbraw/zinc/53/01/85/676530185.db2.gz ZHLICJFJTLXSBU-IAGOWNOFSA-N 1 3 350.576 2.499 20 0 FEADHO CN1CCN([C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c2cccs2)CC1 ZINC000623336166 676530187 /nfs/dbraw/zinc/53/01/87/676530187.db2.gz ZHLICJFJTLXSBU-IAGOWNOFSA-N 1 3 350.576 2.499 20 0 FEADHO CN1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1(C)C ZINC000623360338 676530920 /nfs/dbraw/zinc/53/09/20/676530920.db2.gz FMGOJZRBAMWQRY-KRWDZBQOSA-N 1 3 365.543 2.434 20 0 FEADHO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623376203 676531809 /nfs/dbraw/zinc/53/18/09/676531809.db2.gz KNQOVPNNOLGABM-SFHVURJKSA-N 1 3 367.559 2.477 20 0 FEADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000625892927 676677664 /nfs/dbraw/zinc/67/76/64/676677664.db2.gz DXZHNVHKEBBBNE-CYBMUJFWSA-N 1 3 352.866 2.296 20 0 FEADHO CN(Cc1cc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)ccc1F)C[C@H]1C[C@@H](O)C1 ZINC000626046933 676685818 /nfs/dbraw/zinc/68/58/18/676685818.db2.gz XKQOPKDWTISIJF-BLTKFLFPSA-N 1 3 350.478 2.231 20 0 FEADHO CN(Cc1cc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)ccc1F)C[C@H]1C[C@@H](O)C1 ZINC000626046933 676685820 /nfs/dbraw/zinc/68/58/20/676685820.db2.gz XKQOPKDWTISIJF-BLTKFLFPSA-N 1 3 350.478 2.231 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000629419600 676854114 /nfs/dbraw/zinc/85/41/14/676854114.db2.gz PZFNYHMPXLSBGK-KURKYZTESA-N 1 3 351.535 2.351 20 0 FEADHO O[C@H](C[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1)CN1CCCC1 ZINC000629578436 676860747 /nfs/dbraw/zinc/86/07/47/676860747.db2.gz YHMKAVAXWBUDQW-HUUCEWRRSA-N 1 3 357.420 2.330 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)c1ccsc1 ZINC000630734320 676919573 /nfs/dbraw/zinc/91/95/73/676919573.db2.gz XZFUNFCMXOTMCL-KRWDZBQOSA-N 1 3 363.531 2.319 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000632639842 677007250 /nfs/dbraw/zinc/00/72/50/677007250.db2.gz NOUKBFZCABNAEK-UHFFFAOYSA-N 1 3 365.543 2.387 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH3+])c3ccccc32)cc1 ZINC000634562830 677077451 /nfs/dbraw/zinc/07/74/51/677077451.db2.gz KLZFMQKEFYKAQH-MRXNPFEDSA-N 1 3 359.495 2.390 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645483292 677261322 /nfs/dbraw/zinc/26/13/22/677261322.db2.gz SNIAICZTMCFNQY-DLBZAZTESA-N 1 3 351.560 2.100 20 0 FEADHO CC[C@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)N1CCc2ccccc2C1 ZINC000649292910 677328822 /nfs/dbraw/zinc/32/88/22/677328822.db2.gz LIGFHDISRRISBW-IAGOWNOFSA-N 1 3 351.441 2.184 20 0 FEADHO FC1(F)Oc2ccc(CCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2O1 ZINC000650760404 677388482 /nfs/dbraw/zinc/38/84/82/677388482.db2.gz CIZKISHCAHWMPD-RRFJBIMHSA-N 1 3 354.397 2.297 20 0 FEADHO COc1cc(F)c(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000651708872 677446236 /nfs/dbraw/zinc/44/62/36/677446236.db2.gz DEGGLQFUTXFMFK-HNNXBMFYSA-N 1 3 351.466 2.101 20 0 FEADHO CC[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)N1CCc2ccccc2C1 ZINC000655912224 677671909 /nfs/dbraw/zinc/67/19/09/677671909.db2.gz LMRZZBFYHSVHIP-GJZGRUSLSA-N 1 3 358.408 2.012 20 0 FEADHO Cc1c(Br)cncc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000657397327 677998459 /nfs/dbraw/zinc/99/84/59/677998459.db2.gz UGJBVLOXZQUEDF-UHFFFAOYSA-N 1 3 356.308 2.477 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3C(C)(C)C3(F)F)CC2)CC1 ZINC000660572418 678359393 /nfs/dbraw/zinc/35/93/93/678359393.db2.gz CFYSIGLQBRHZCR-HNNXBMFYSA-N 1 3 358.477 2.136 20 0 FEADHO COc1ccsc1CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663514178 678749476 /nfs/dbraw/zinc/74/94/76/678749476.db2.gz XSRNRPIUMQAXRP-CQSZACIVSA-N 1 3 361.515 2.269 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000665874485 678989554 /nfs/dbraw/zinc/98/95/54/678989554.db2.gz IBXQGJMRJLFEAZ-AWEZNQCLSA-N 1 3 350.511 2.168 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000665874485 678989556 /nfs/dbraw/zinc/98/95/56/678989556.db2.gz IBXQGJMRJLFEAZ-AWEZNQCLSA-N 1 3 350.511 2.168 20 0 FEADHO Cc1csc([C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000667642355 679120019 /nfs/dbraw/zinc/12/00/19/679120019.db2.gz YFGIPVBJHQXOQT-AWEZNQCLSA-N 1 3 350.532 2.230 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc(Cl)n1 ZINC000831880377 680056006 /nfs/dbraw/zinc/05/60/06/680056006.db2.gz CTUHLDKSPBORCL-JKSUJKDBSA-N 1 3 368.909 2.003 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(Cl)nc3)C2)CC[N@@H+]1C ZINC001018870250 680084297 /nfs/dbraw/zinc/08/42/97/680084297.db2.gz LAEBIYMKFXIMPQ-HRCADAONSA-N 1 3 350.894 2.156 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(Cl)nc3)C2)CC[N@H+]1C ZINC001018870250 680084303 /nfs/dbraw/zinc/08/43/03/680084303.db2.gz LAEBIYMKFXIMPQ-HRCADAONSA-N 1 3 350.894 2.156 20 0 FEADHO COc1cc(Cl)ccc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001020172001 680101875 /nfs/dbraw/zinc/10/18/75/680101875.db2.gz IDUWUUONWZWLQD-BASLNEPJSA-N 1 3 365.905 2.426 20 0 FEADHO COc1cc(Cl)ccc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001020172001 680101879 /nfs/dbraw/zinc/10/18/79/680101879.db2.gz IDUWUUONWZWLQD-BASLNEPJSA-N 1 3 365.905 2.426 20 0 FEADHO Cc1cc([C@H](N)CC(=O)NCC2CC[NH+](C3CC3)CC2)cc(Cl)n1 ZINC000832173620 680105599 /nfs/dbraw/zinc/10/55/99/680105599.db2.gz SJUVUFTYHDIBEX-MRXNPFEDSA-N 1 3 350.894 2.424 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CNCc3cc(O)ccc3Cl)C2)CC[N@@H+]1C ZINC001026853260 680350544 /nfs/dbraw/zinc/35/05/44/680350544.db2.gz BRYIEAQGQDZMQL-CKEIUWERSA-N 1 3 365.905 2.324 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](CNCc3cc(O)ccc3Cl)C2)CC[N@H+]1C ZINC001026853260 680350547 /nfs/dbraw/zinc/35/05/47/680350547.db2.gz BRYIEAQGQDZMQL-CKEIUWERSA-N 1 3 365.905 2.324 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNCc3nc(C)c(C)s3)C2)CC[N@@H+]1C ZINC001026856204 680351739 /nfs/dbraw/zinc/35/17/39/680351739.db2.gz UZZLZVGDHPKJBJ-YESZJQIVSA-N 1 3 364.559 2.428 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNCc3nc(C)c(C)s3)C2)CC[N@H+]1C ZINC001026856204 680351742 /nfs/dbraw/zinc/35/17/42/680351742.db2.gz UZZLZVGDHPKJBJ-YESZJQIVSA-N 1 3 364.559 2.428 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(CCc3scnc3C)C2)CC[N@@H+]1C ZINC001033100292 680418527 /nfs/dbraw/zinc/41/85/27/680418527.db2.gz YBYSKVKHFHGHDM-IXDOHACOSA-N 1 3 364.559 2.257 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(CCc3scnc3C)C2)CC[N@H+]1C ZINC001033100292 680418529 /nfs/dbraw/zinc/41/85/29/680418529.db2.gz YBYSKVKHFHGHDM-IXDOHACOSA-N 1 3 364.559 2.257 20 0 FEADHO Cc1cc([C@H](N)CC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc(Cl)n1 ZINC000841849345 680914693 /nfs/dbraw/zinc/91/46/93/680914693.db2.gz MWMVCKVKJCMNDJ-UKRRQHHQSA-N 1 3 359.861 2.283 20 0 FEADHO CC[N@H+](C)C[C@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000847010868 681320963 /nfs/dbraw/zinc/32/09/63/681320963.db2.gz NESJMQGQEALLSW-HZPDHXFCSA-N 1 3 355.523 2.211 20 0 FEADHO CC[N@@H+](C)C[C@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000847010868 681320969 /nfs/dbraw/zinc/32/09/69/681320969.db2.gz NESJMQGQEALLSW-HZPDHXFCSA-N 1 3 355.523 2.211 20 0 FEADHO [NH2+]=C(NCCOCC(F)(F)F)NC1CCN(Cc2ccccc2)CC1 ZINC000849063108 681649246 /nfs/dbraw/zinc/64/92/46/681649246.db2.gz WTEKAYMZNYOVBI-UHFFFAOYSA-N 1 3 358.408 2.344 20 0 FEADHO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000849091304 681652130 /nfs/dbraw/zinc/65/21/30/681652130.db2.gz UERPDYOECGIBOP-CABCVRRESA-N 1 3 356.392 2.183 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)N[C@@H]1CCOc2ccccc21 ZINC000849276204 681676098 /nfs/dbraw/zinc/67/60/98/681676098.db2.gz BPWLMPZZYAWGSP-DOTOQJQBSA-N 1 3 364.559 2.246 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)N[C@@H]1CCOc2ccccc21 ZINC000849276204 681676102 /nfs/dbraw/zinc/67/61/02/681676102.db2.gz BPWLMPZZYAWGSP-DOTOQJQBSA-N 1 3 364.559 2.246 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCS1 ZINC000915500162 685515665 /nfs/dbraw/zinc/51/56/65/685515665.db2.gz CZGSNMUMFVWQHY-ZBFHGGJFSA-N 1 3 354.564 2.128 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000854041382 682506903 /nfs/dbraw/zinc/50/69/03/682506903.db2.gz MSZQNYRFILPJOD-KBXCAEBGSA-N 1 3 366.937 2.378 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000854041382 682506907 /nfs/dbraw/zinc/50/69/07/682506907.db2.gz MSZQNYRFILPJOD-KBXCAEBGSA-N 1 3 366.937 2.378 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC000854111258 682514660 /nfs/dbraw/zinc/51/46/60/682514660.db2.gz IFJJJRXCFZDHOK-GXTWGEPZSA-N 1 3 353.338 2.142 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC000854111258 682514665 /nfs/dbraw/zinc/51/46/65/682514665.db2.gz IFJJJRXCFZDHOK-GXTWGEPZSA-N 1 3 353.338 2.142 20 0 FEADHO CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC000856410770 682777287 /nfs/dbraw/zinc/77/72/87/682777287.db2.gz OTDJXRULGXXITH-SFHVURJKSA-N 1 3 351.535 2.354 20 0 FEADHO C[C@H](C[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2)CN(C)C ZINC000926470005 683129052 /nfs/dbraw/zinc/12/90/52/683129052.db2.gz IQVNUJSMRVVKME-UUAJXVIYSA-N 1 3 355.523 2.092 20 0 FEADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000796674200 683183870 /nfs/dbraw/zinc/18/38/70/683183870.db2.gz GZLSUVYPQYKPGP-ULQDDVLXSA-N 1 3 355.523 2.380 20 0 FEADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCc2ccns2)CC1 ZINC000930071931 683676128 /nfs/dbraw/zinc/67/61/28/683676128.db2.gz NCUWYQPDKAZHCA-UHFFFAOYSA-N 1 3 364.559 2.390 20 0 FEADHO CN(CCC[NH+]1CCC(N2CCCOCC2)CC1)C(=O)OC(C)(C)C ZINC000931286154 684255537 /nfs/dbraw/zinc/25/55/37/684255537.db2.gz CIXXUIHRJOVSPD-UHFFFAOYSA-N 1 3 355.523 2.430 20 0 FEADHO O=S(=O)(NC1CCCC1)[C@@H]1CCCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923374732 684270954 /nfs/dbraw/zinc/27/09/54/684270954.db2.gz YWZGSGMTIFRGCI-ZCTYVAAUSA-N 1 3 369.575 2.234 20 0 FEADHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1ccc(Br)cc1 ZINC000923518520 684296111 /nfs/dbraw/zinc/29/61/11/684296111.db2.gz MNXCCQWGIIDSQF-QWHCGFSZSA-N 1 3 352.276 2.319 20 0 FEADHO C[C@@H]1C[C@H](N(C)S(=O)(=O)[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000923617162 684315730 /nfs/dbraw/zinc/31/57/30/684315730.db2.gz NMOWDOWVZCGBER-QRQLOZEOSA-N 1 3 365.543 2.053 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@@H]3CCCS3)CC2)CC1 ZINC000868210535 684464700 /nfs/dbraw/zinc/46/47/00/684464700.db2.gz DSKWCOAKJQHILT-KRWDZBQOSA-N 1 3 354.564 2.130 20 0 FEADHO O[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)COc1ccc(F)c(F)c1 ZINC000925499618 684566365 /nfs/dbraw/zinc/56/63/65/684566365.db2.gz RLEWWFAAJCQBIH-OGWOLHLISA-N 1 3 354.441 2.462 20 0 FEADHO [NH3+]CCC[C@H](NC[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccccc1 ZINC000925707737 684579431 /nfs/dbraw/zinc/57/94/31/684579431.db2.gz RETXFYBOHLQJLG-SJORKVTESA-N 1 3 360.479 2.291 20 0 FEADHO CN(CCNC(=O)c1csc(C2CC[NH2+]CC2)n1)Cc1ccccc1 ZINC000870873042 684765270 /nfs/dbraw/zinc/76/52/70/684765270.db2.gz WWCWSOUTAHGUPM-UHFFFAOYSA-N 1 3 358.511 2.472 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)cc1 ZINC000871817085 684862327 /nfs/dbraw/zinc/86/23/27/684862327.db2.gz AOUNGVRLRFZVAH-GOSISDBHSA-N 1 3 365.543 2.339 20 0 FEADHO CC(C)CN(CC1CC[NH+](C)CC1)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000872743809 685011758 /nfs/dbraw/zinc/01/17/58/685011758.db2.gz KFFLNBNLPSPAQQ-IBGZPJMESA-N 1 3 367.559 2.126 20 0 FEADHO CN(CCCNCc1nc(Cl)ccc1Br)CC[NH+](C)C ZINC000883184774 687583635 /nfs/dbraw/zinc/58/36/35/687583635.db2.gz FDYJPACEUODHRM-UHFFFAOYSA-N 1 3 363.731 2.471 20 0 FEADHO O=S(=O)(CCN1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccccc1 ZINC000903767568 690970764 /nfs/dbraw/zinc/97/07/64/690970764.db2.gz HNPILJRUPBQHDS-QGZVFWFLSA-N 1 3 351.516 2.140 20 0 FEADHO Clc1ccc(OC2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)nc1 ZINC000903779766 690972206 /nfs/dbraw/zinc/97/22/06/690972206.db2.gz AELRHNDXTZRTIT-AEFFLSMTSA-N 1 3 351.878 2.347 20 0 FEADHO O[C@]1(CNCCc2nc3c(s2)CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000905568390 691143033 /nfs/dbraw/zinc/14/30/33/691143033.db2.gz JUEFOTHOJZJXOS-FQEVSTJZSA-N 1 3 357.523 2.401 20 0 FEADHO O[C@]1(CNCCc2nc3c(s2)CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000905568390 691143034 /nfs/dbraw/zinc/14/30/34/691143034.db2.gz JUEFOTHOJZJXOS-FQEVSTJZSA-N 1 3 357.523 2.401 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000517213199 539352643 /nfs/dbraw/zinc/35/26/43/539352643.db2.gz KOLANTCHWFWMTO-UHFFFAOYSA-N 1 3 351.495 2.463 20 0 FEADHO O=C1c2ccccc2C(=O)N1CCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000047972875 540337614 /nfs/dbraw/zinc/33/76/14/540337614.db2.gz QXOLLDJGSSECTD-UHFFFAOYSA-N 1 3 355.482 2.481 20 0 FEADHO COc1ccc([C@H](CNC(=O)NC2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000053250505 540520536 /nfs/dbraw/zinc/52/05/36/540520536.db2.gz GZGDVJOXWHSZAG-IBGZPJMESA-N 1 3 360.502 2.226 20 0 FEADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000072855528 541881798 /nfs/dbraw/zinc/88/17/98/541881798.db2.gz NSMSTJBVZWAPEW-IBGZPJMESA-N 1 3 374.529 2.110 20 0 FEADHO COCCN(C)CCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000073203258 541928830 /nfs/dbraw/zinc/92/88/30/541928830.db2.gz ZCCDKXVCZFUBJZ-OALUTQOASA-N 1 3 368.566 2.251 20 0 FEADHO COCCN(C)CCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000073203258 541928831 /nfs/dbraw/zinc/92/88/31/541928831.db2.gz ZCCDKXVCZFUBJZ-OALUTQOASA-N 1 3 368.566 2.251 20 0 FEADHO CC[NH+](CC)CCSCC(=O)N[C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000073729228 541993562 /nfs/dbraw/zinc/99/35/62/541993562.db2.gz IIFYFIJUODPCMK-OKZBNKHCSA-N 1 3 371.591 2.067 20 0 FEADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000073816457 542003295 /nfs/dbraw/zinc/00/32/95/542003295.db2.gz HODVAKTWHFFAHV-UHFFFAOYSA-N 1 3 359.470 2.071 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc2c(c1)CCO2 ZINC000073981118 542022069 /nfs/dbraw/zinc/02/20/69/542022069.db2.gz OOBGBQUWKQZRDW-IBGZPJMESA-N 1 3 374.529 2.179 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc2c(c1)CCO2 ZINC000073981118 542022074 /nfs/dbraw/zinc/02/20/74/542022074.db2.gz OOBGBQUWKQZRDW-IBGZPJMESA-N 1 3 374.529 2.179 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000074176706 542049361 /nfs/dbraw/zinc/04/93/61/542049361.db2.gz IDSAEMWMNISAFS-OAQYLSRUSA-N 1 3 372.557 2.450 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000074228975 542056926 /nfs/dbraw/zinc/05/69/26/542056926.db2.gz ISROADDXQHOOFX-CTNGQTDRSA-N 1 3 370.541 2.202 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000074228975 542056928 /nfs/dbraw/zinc/05/69/28/542056928.db2.gz ISROADDXQHOOFX-CTNGQTDRSA-N 1 3 370.541 2.202 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000074495166 542089773 /nfs/dbraw/zinc/08/97/73/542089773.db2.gz CYNCLPORDGZCLB-SCTDSRPQSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000074495166 542089775 /nfs/dbraw/zinc/08/97/75/542089775.db2.gz CYNCLPORDGZCLB-SCTDSRPQSA-N 1 3 366.550 2.002 20 0 FEADHO CC[NH+](CC)CCNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000077826509 542425087 /nfs/dbraw/zinc/42/50/87/542425087.db2.gz ULLRNIBYAJEMAO-IBGZPJMESA-N 1 3 362.518 2.473 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000081306123 542647213 /nfs/dbraw/zinc/64/72/13/542647213.db2.gz GMBZLJYLUIHVIJ-OAQYLSRUSA-N 1 3 370.541 2.204 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000081306123 542647216 /nfs/dbraw/zinc/64/72/16/542647216.db2.gz GMBZLJYLUIHVIJ-OAQYLSRUSA-N 1 3 370.541 2.204 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000081444678 542657302 /nfs/dbraw/zinc/65/73/02/542657302.db2.gz SOBNYEKTOGSCCO-TZIWHRDSSA-N 1 3 372.557 2.387 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CCN2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000081444678 542657306 /nfs/dbraw/zinc/65/73/06/542657306.db2.gz SOBNYEKTOGSCCO-TZIWHRDSSA-N 1 3 372.557 2.387 20 0 FEADHO C[C@@H](C(=O)NC[C@H]1CCCO1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821122 542888999 /nfs/dbraw/zinc/88/89/99/542888999.db2.gz OFKMDEUETJASGM-FXAWDEMLSA-N 1 3 374.529 2.304 20 0 FEADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000093135290 542911141 /nfs/dbraw/zinc/91/11/41/542911141.db2.gz ZZSFRZUJUSZREP-SFHVURJKSA-N 1 3 359.518 2.329 20 0 FEADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000093135290 542911147 /nfs/dbraw/zinc/91/11/47/542911147.db2.gz ZZSFRZUJUSZREP-SFHVURJKSA-N 1 3 359.518 2.329 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(NC(C)=O)cc1 ZINC000101518577 543027590 /nfs/dbraw/zinc/02/75/90/543027590.db2.gz XVVSRAFPXPRRAP-LJQANCHMSA-N 1 3 360.502 2.133 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(NC(C)=O)cc1 ZINC000101518577 543027594 /nfs/dbraw/zinc/02/75/94/543027594.db2.gz XVVSRAFPXPRRAP-LJQANCHMSA-N 1 3 360.502 2.133 20 0 FEADHO COc1ccc([C@H](CNC(=O)NCC[N@H+](C)C(C)C)N2CCCC2)cc1 ZINC000101974341 543052446 /nfs/dbraw/zinc/05/24/46/543052446.db2.gz KNKGDCSSUDWJTR-IBGZPJMESA-N 1 3 362.518 2.472 20 0 FEADHO COc1ccc([C@H](CNC(=O)NCC[N@@H+](C)C(C)C)N2CCCC2)cc1 ZINC000101974341 543052450 /nfs/dbraw/zinc/05/24/50/543052450.db2.gz KNKGDCSSUDWJTR-IBGZPJMESA-N 1 3 362.518 2.472 20 0 FEADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000105114061 543159251 /nfs/dbraw/zinc/15/92/51/543159251.db2.gz GNBBVXAWDWGWLC-SFHVURJKSA-N 1 3 362.518 2.158 20 0 FEADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000105114061 543159253 /nfs/dbraw/zinc/15/92/53/543159253.db2.gz GNBBVXAWDWGWLC-SFHVURJKSA-N 1 3 362.518 2.158 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc(CN(C)C)c2)CC1=O ZINC000105317885 543170935 /nfs/dbraw/zinc/17/09/35/543170935.db2.gz WIJUEKOCEMCNBH-IEBWSBKVSA-N 1 3 372.513 2.020 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc(CN(C)C)c2)CC1=O ZINC000105317885 543170938 /nfs/dbraw/zinc/17/09/38/543170938.db2.gz WIJUEKOCEMCNBH-IEBWSBKVSA-N 1 3 372.513 2.020 20 0 FEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000247449471 549335177 /nfs/dbraw/zinc/33/51/77/549335177.db2.gz YYPBVEVPNPOULX-ZMMAXQRCSA-N 1 3 351.535 2.112 20 0 FEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000247449471 549335182 /nfs/dbraw/zinc/33/51/82/549335182.db2.gz YYPBVEVPNPOULX-ZMMAXQRCSA-N 1 3 351.535 2.112 20 0 FEADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000108431888 543290172 /nfs/dbraw/zinc/29/01/72/543290172.db2.gz AHOCFHFVGUTNED-HXUWFJFHSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000108431888 543290173 /nfs/dbraw/zinc/29/01/73/543290173.db2.gz AHOCFHFVGUTNED-HXUWFJFHSA-N 1 3 356.514 2.435 20 0 FEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000247449446 549335444 /nfs/dbraw/zinc/33/54/44/549335444.db2.gz YYPBVEVPNPOULX-MJQMVNBJSA-N 1 3 351.535 2.112 20 0 FEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000247449446 549335445 /nfs/dbraw/zinc/33/54/45/549335445.db2.gz YYPBVEVPNPOULX-MJQMVNBJSA-N 1 3 351.535 2.112 20 0 FEADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCN(CCOC)CC1 ZINC000108929555 543308488 /nfs/dbraw/zinc/30/84/88/543308488.db2.gz YFEUBDZTMVHEDH-SFHVURJKSA-N 1 3 354.539 2.051 20 0 FEADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCN(CCOC)CC1 ZINC000108929555 543308489 /nfs/dbraw/zinc/30/84/89/543308489.db2.gz YFEUBDZTMVHEDH-SFHVURJKSA-N 1 3 354.539 2.051 20 0 FEADHO CC1CC[NH+](CCNC(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000109949176 543344501 /nfs/dbraw/zinc/34/45/01/543344501.db2.gz QXTRVUGYZAPIID-UHFFFAOYSA-N 1 3 372.557 2.437 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000111818238 543417413 /nfs/dbraw/zinc/41/74/13/543417413.db2.gz NFXFGGFRQUUHAE-GOSISDBHSA-N 1 3 354.539 2.051 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000111818238 543417416 /nfs/dbraw/zinc/41/74/16/543417416.db2.gz NFXFGGFRQUUHAE-GOSISDBHSA-N 1 3 354.539 2.051 20 0 FEADHO CCC[NH+]1CCC(N2CCN(C(=O)c3ccc(CN(C)C)cc3)CC2)CC1 ZINC000112324628 543441643 /nfs/dbraw/zinc/44/16/43/543441643.db2.gz ZMZYMSCHUBYSQM-UHFFFAOYSA-N 1 3 372.557 2.380 20 0 FEADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC[C@H](C[NH+](C)C)C1 ZINC000114480341 543520911 /nfs/dbraw/zinc/52/09/11/543520911.db2.gz WPTNOBMURPBOTO-UYAOXDASSA-N 1 3 372.557 2.039 20 0 FEADHO CCOc1ccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000124416796 543820172 /nfs/dbraw/zinc/82/01/72/543820172.db2.gz MAXKMTBSRIITGO-UHFFFAOYSA-N 1 3 359.514 2.303 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000125296031 543872877 /nfs/dbraw/zinc/87/28/77/543872877.db2.gz CLWHHRVXFTZQFX-LJQANCHMSA-N 1 3 374.529 2.397 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000128985006 544084602 /nfs/dbraw/zinc/08/46/02/544084602.db2.gz MVFJOXIYCUDBAK-INIZCTEOSA-N 1 3 370.497 2.429 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000128985006 544084605 /nfs/dbraw/zinc/08/46/05/544084605.db2.gz MVFJOXIYCUDBAK-INIZCTEOSA-N 1 3 370.497 2.429 20 0 FEADHO CCCC[C@H](COC)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000132139713 544220673 /nfs/dbraw/zinc/22/06/73/544220673.db2.gz INIQZGABUFIVOT-QGZVFWFLSA-N 1 3 354.539 2.049 20 0 FEADHO CCC(=O)N1CC[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000134533533 544312030 /nfs/dbraw/zinc/31/20/30/544312030.db2.gz BOSRJIQTTIWUCN-GOSISDBHSA-N 1 3 358.530 2.318 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](CCO)CSC)CC1 ZINC000152252765 544630706 /nfs/dbraw/zinc/63/07/06/544630706.db2.gz PRWCXQABRGVEJS-SFHVURJKSA-N 1 3 351.560 2.422 20 0 FEADHO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000153737209 544816266 /nfs/dbraw/zinc/81/62/66/544816266.db2.gz DWCDEBPONYREKJ-SFHVURJKSA-N 1 3 372.513 2.069 20 0 FEADHO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000153737209 544816270 /nfs/dbraw/zinc/81/62/70/544816270.db2.gz DWCDEBPONYREKJ-SFHVURJKSA-N 1 3 372.513 2.069 20 0 FEADHO CN(C)Cc1ccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000154342288 544893476 /nfs/dbraw/zinc/89/34/76/544893476.db2.gz HIEHCKZHBBNYDB-WCRBZPEASA-N 1 3 370.541 2.131 20 0 FEADHO CN(C)Cc1ccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000154342288 544893478 /nfs/dbraw/zinc/89/34/78/544893478.db2.gz HIEHCKZHBBNYDB-WCRBZPEASA-N 1 3 370.541 2.131 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1cccc(OCCN2CCOCC2)c1 ZINC000155165748 544996674 /nfs/dbraw/zinc/99/66/74/544996674.db2.gz FUWYQSUWHUPTPX-DBXWQHBBSA-N 1 3 361.530 2.216 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cccc(OCCN2CCOCC2)c1 ZINC000155165748 544996677 /nfs/dbraw/zinc/99/66/77/544996677.db2.gz FUWYQSUWHUPTPX-DBXWQHBBSA-N 1 3 361.530 2.216 20 0 FEADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155165748 544996681 /nfs/dbraw/zinc/99/66/81/544996681.db2.gz FUWYQSUWHUPTPX-DBXWQHBBSA-N 1 3 361.530 2.216 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1(C)C ZINC000188065462 328063632 /nfs/dbraw/zinc/06/36/32/328063632.db2.gz XDAKKUAGIFELQY-NQIIRXRSSA-N 1 3 359.514 2.431 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1(C)C ZINC000188075350 328064241 /nfs/dbraw/zinc/06/42/41/328064241.db2.gz WWJQAVADNSEIDA-WIYYLYMNSA-N 1 3 359.514 2.084 20 0 FEADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1(C)C ZINC000188075350 328064242 /nfs/dbraw/zinc/06/42/42/328064242.db2.gz WWJQAVADNSEIDA-WIYYLYMNSA-N 1 3 359.514 2.084 20 0 FEADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3[nH]nc4c3CNCC4)cc2)C1 ZINC000188713397 328106141 /nfs/dbraw/zinc/10/61/41/328106141.db2.gz FDBMBUQPYKZFPT-OAHLLOKOSA-N 1 3 367.497 2.217 20 0 FEADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3[nH]nc4c3CNCC4)cc2)C1 ZINC000188713397 328106143 /nfs/dbraw/zinc/10/61/43/328106143.db2.gz FDBMBUQPYKZFPT-OAHLLOKOSA-N 1 3 367.497 2.217 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000192748766 328337406 /nfs/dbraw/zinc/33/74/06/328337406.db2.gz DSKQVUVDIJZFKI-AYHJJNSGSA-N 1 3 365.543 2.432 20 0 FEADHO CCCN(C(=O)CCN1CCN(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000236781277 328494175 /nfs/dbraw/zinc/49/41/75/328494175.db2.gz PWQAUZGJOBERNQ-UHFFFAOYSA-N 1 3 358.530 2.189 20 0 FEADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000237166251 328507236 /nfs/dbraw/zinc/50/72/36/328507236.db2.gz OYQJFLOZCZJZRF-FQEVSTJZSA-N 1 3 373.501 2.231 20 0 FEADHO COc1cccc([C@@H](CNC(=O)C[C@H]2CSCC[NH2+]2)N2CCCC2)c1 ZINC000237282985 328511088 /nfs/dbraw/zinc/51/10/88/328511088.db2.gz CYIBAMIHYUCDGK-FUHWJXTLSA-N 1 3 363.527 2.043 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000080125863 325118410 /nfs/dbraw/zinc/11/84/10/325118410.db2.gz PJBSIYHUKCBJGK-LJQANCHMSA-N 1 3 368.566 2.155 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)CC[NH+]2CCCC2)CC1 ZINC000089898964 325340391 /nfs/dbraw/zinc/34/03/91/325340391.db2.gz JVDKGFLABFUBGP-UHFFFAOYSA-N 1 3 372.557 2.057 20 0 FEADHO O=C(CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000090046361 325352588 /nfs/dbraw/zinc/35/25/88/325352588.db2.gz HMKZWVBKXDNAHJ-PZJWPPBQSA-N 1 3 370.541 2.332 20 0 FEADHO O=C(CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000090046361 325352590 /nfs/dbraw/zinc/35/25/90/325352590.db2.gz HMKZWVBKXDNAHJ-PZJWPPBQSA-N 1 3 370.541 2.332 20 0 FEADHO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(OCCN(C)C)c1 ZINC000090882620 325369191 /nfs/dbraw/zinc/36/91/91/325369191.db2.gz WJSNQMUMBPXJMR-OAHLLOKOSA-N 1 3 354.516 2.102 20 0 FEADHO [NH3+]C[C@@H](NC(=O)CCN1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000238056991 328539976 /nfs/dbraw/zinc/53/99/76/328539976.db2.gz LSYHLXOZRACGGT-HXUWFJFHSA-N 1 3 358.530 2.223 20 0 FEADHO CN(C)[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccccc1 ZINC000107386887 325627364 /nfs/dbraw/zinc/62/73/64/325627364.db2.gz DOAWCSUULCVRSS-HXUWFJFHSA-N 1 3 369.513 2.458 20 0 FEADHO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cccc(CN(C)C)c1)[NH+](C)C ZINC000118099236 326081547 /nfs/dbraw/zinc/08/15/47/326081547.db2.gz XLKUVHPDJNMUTQ-SFHVURJKSA-N 1 3 362.518 2.169 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)c1 ZINC000118129926 326085126 /nfs/dbraw/zinc/08/51/26/326085126.db2.gz HFFPGZXDAXYRJH-OAHLLOKOSA-N 1 3 360.502 2.066 20 0 FEADHO CN(C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)[C@H]1CCCN(C)C1 ZINC000119130194 326129859 /nfs/dbraw/zinc/12/98/59/326129859.db2.gz CXOHFXMADFIQMH-FQEVSTJZSA-N 1 3 359.514 2.057 20 0 FEADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000119423263 326160951 /nfs/dbraw/zinc/16/09/51/326160951.db2.gz FHTMSGHUBQVIQY-CABCVRRESA-N 1 3 361.486 2.495 20 0 FEADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000119423263 326160954 /nfs/dbraw/zinc/16/09/54/326160954.db2.gz FHTMSGHUBQVIQY-CABCVRRESA-N 1 3 361.486 2.495 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000120931972 326300108 /nfs/dbraw/zinc/30/01/08/326300108.db2.gz IHKNXLNMUVENSI-FPOVZHCZSA-N 1 3 372.557 2.387 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000120931972 326300111 /nfs/dbraw/zinc/30/01/11/326300111.db2.gz IHKNXLNMUVENSI-FPOVZHCZSA-N 1 3 372.557 2.387 20 0 FEADHO COc1ncc(C)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122141384 326385653 /nfs/dbraw/zinc/38/56/53/326385653.db2.gz BXJFSVMMPBRESL-UHFFFAOYSA-N 1 3 361.490 2.079 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(CC(=O)N2CCC(C)CC2)CC1 ZINC000122213685 326388337 /nfs/dbraw/zinc/38/83/37/326388337.db2.gz UBLBWULVLOYNTD-UHFFFAOYSA-N 1 3 353.551 2.315 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(CC(=O)N2CCC(C)CC2)CC1 ZINC000122213685 326388338 /nfs/dbraw/zinc/38/83/38/326388338.db2.gz UBLBWULVLOYNTD-UHFFFAOYSA-N 1 3 353.551 2.315 20 0 FEADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150947506 326671658 /nfs/dbraw/zinc/67/16/58/326671658.db2.gz PFPYUCIDXDYCEZ-CQSZACIVSA-N 1 3 367.925 2.068 20 0 FEADHO Cc1nc(-c2ccccc2)ncc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000163823550 327059410 /nfs/dbraw/zinc/05/94/10/327059410.db2.gz PXOVFJMSTOOSQH-UHFFFAOYSA-N 1 3 355.486 2.017 20 0 FEADHO CSCC[C@H](N)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000169208841 327088144 /nfs/dbraw/zinc/08/81/44/327088144.db2.gz MLIHFBDUHKZWNM-SFHVURJKSA-N 1 3 364.559 2.484 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)CN2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000171944552 327171874 /nfs/dbraw/zinc/17/18/74/327171874.db2.gz IYJSTLXGIBBRLV-OAQYLSRUSA-N 1 3 372.557 2.102 20 0 FEADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000173298408 327248245 /nfs/dbraw/zinc/24/82/45/327248245.db2.gz MBUIOHZUJGROCF-PXNSSMCTSA-N 1 3 361.530 2.416 20 0 FEADHO CN(C)CCn1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)n1 ZINC000173924466 327294976 /nfs/dbraw/zinc/29/49/76/327294976.db2.gz GYTNIHJRHMEKQI-UHFFFAOYSA-N 1 3 370.501 2.362 20 0 FEADHO CN(C)CCn1ccc(NC(=O)NCCCCC[NH+]2CCCCC2)n1 ZINC000173927840 327295214 /nfs/dbraw/zinc/29/52/14/327295214.db2.gz OZJCXZBDZKNAAU-UHFFFAOYSA-N 1 3 350.511 2.222 20 0 FEADHO O[C@@H](COCc1cccs1)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173945072 327296527 /nfs/dbraw/zinc/29/65/27/327296527.db2.gz CDUROFLBCVQECC-QGZVFWFLSA-N 1 3 368.543 2.202 20 0 FEADHO CCc1ccc([C@H](CNC(=O)Nc2ccn(CC[NH+](C)C)n2)N(C)C)cc1 ZINC000173952232 327297061 /nfs/dbraw/zinc/29/70/61/327297061.db2.gz UNYPBBJZCQPPJO-SFHVURJKSA-N 1 3 372.517 2.432 20 0 FEADHO COCC1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[NH2+]CC1 ZINC000262439246 328866004 /nfs/dbraw/zinc/86/60/04/328866004.db2.gz XWNNDKCSELJKHE-HNNXBMFYSA-N 1 3 351.516 2.017 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000264297773 329008033 /nfs/dbraw/zinc/00/80/33/329008033.db2.gz WFCXFBDQCFKPPR-UHFFFAOYSA-N 1 3 374.529 2.192 20 0 FEADHO CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000264897430 329072529 /nfs/dbraw/zinc/07/25/29/329072529.db2.gz KYCOYHVJMMQBRU-IBGZPJMESA-N 1 3 372.557 2.286 20 0 FEADHO CCN1CCN(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000264903631 329072995 /nfs/dbraw/zinc/07/29/95/329072995.db2.gz LWOBZZQFSFTEQN-UHFFFAOYSA-N 1 3 358.530 2.040 20 0 FEADHO CCc1c(C(=O)N(CCCN(C)C)CCC[NH+](C)C)[nH]c(C)c1C(C)=O ZINC000264905193 329073187 /nfs/dbraw/zinc/07/31/87/329073187.db2.gz MJKIENFAFRUELT-UHFFFAOYSA-N 1 3 364.534 2.434 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C)CC2)N2CCCC2)cc1 ZINC000265718168 329153345 /nfs/dbraw/zinc/15/33/45/329153345.db2.gz JZYYHGUMZBRTGQ-LJQANCHMSA-N 1 3 360.502 2.179 20 0 FEADHO COc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](C)CC2)N2CCCC2)cc1 ZINC000265718168 329153347 /nfs/dbraw/zinc/15/33/47/329153347.db2.gz JZYYHGUMZBRTGQ-LJQANCHMSA-N 1 3 360.502 2.179 20 0 FEADHO CN(C)C1(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)Cc2ccccc2C1 ZINC000266860458 329266772 /nfs/dbraw/zinc/26/67/72/329266772.db2.gz OLLXLZUVPCFIHV-GOSISDBHSA-N 1 3 370.541 2.213 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267274141 329309600 /nfs/dbraw/zinc/30/96/00/329309600.db2.gz SYAAWRPFVPIDAS-IRLDBZIGSA-N 1 3 374.573 2.066 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000267841496 329362216 /nfs/dbraw/zinc/36/22/16/329362216.db2.gz LMZIAVYJEVJXOQ-SJORKVTESA-N 1 3 350.532 2.448 20 0 FEADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000267841496 329362217 /nfs/dbraw/zinc/36/22/17/329362217.db2.gz LMZIAVYJEVJXOQ-SJORKVTESA-N 1 3 350.532 2.448 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H](C)[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000269215053 329497184 /nfs/dbraw/zinc/49/71/84/329497184.db2.gz QPDUOIDVTHPLDJ-RTBURBONSA-N 1 3 358.530 2.011 20 0 FEADHO [NH3+]C[C@H](C(=O)NCc1ccc(CN2CCC(O)CC2)cc1)c1ccccc1 ZINC000269249676 329500630 /nfs/dbraw/zinc/50/06/30/329500630.db2.gz GLLHPKRGUFLOGB-NRFANRHFSA-N 1 3 367.493 2.002 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000272654486 329801807 /nfs/dbraw/zinc/80/18/07/329801807.db2.gz HMSFTIAWWIYUFZ-UHFFFAOYSA-N 1 3 374.529 2.315 20 0 FEADHO C[C@@]1(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)CCCC[NH2+]1 ZINC000273001458 329829224 /nfs/dbraw/zinc/82/92/24/329829224.db2.gz SNADUDMTAZGROG-FQEVSTJZSA-N 1 3 363.477 2.317 20 0 FEADHO COCCN(C)c1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000276564751 330165241 /nfs/dbraw/zinc/16/52/41/330165241.db2.gz AKSCGZLJOGYJMB-UHFFFAOYSA-N 1 3 372.513 2.394 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279083863 330174065 /nfs/dbraw/zinc/17/40/65/330174065.db2.gz VOEWBCGLIODOCJ-HNNXBMFYSA-N 1 3 373.526 2.190 20 0 FEADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000361405921 330202772 /nfs/dbraw/zinc/20/27/72/330202772.db2.gz SCKCNULILLWDRO-UXHICEINSA-N 1 3 371.525 2.134 20 0 FEADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000361405921 330202773 /nfs/dbraw/zinc/20/27/73/330202773.db2.gz SCKCNULILLWDRO-UXHICEINSA-N 1 3 371.525 2.134 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C)CC2CCOCC2)CC1 ZINC000155985213 545589989 /nfs/dbraw/zinc/58/99/89/545589989.db2.gz CQWLICPEILMTIN-UHFFFAOYSA-N 1 3 373.541 2.388 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C)CC2CCOCC2)CC1 ZINC000155985213 545589992 /nfs/dbraw/zinc/58/99/92/545589992.db2.gz CQWLICPEILMTIN-UHFFFAOYSA-N 1 3 373.541 2.388 20 0 FEADHO CCCC(O)(CCC)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000158199663 545834203 /nfs/dbraw/zinc/83/42/03/545834203.db2.gz PCHKJBCLXXVOLX-UHFFFAOYSA-N 1 3 368.566 2.176 20 0 FEADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000479792273 561197259 /nfs/dbraw/zinc/19/72/59/561197259.db2.gz YUPVSLOINKZUJC-QFBILLFUSA-N 1 3 362.518 2.472 20 0 FEADHO COCCCN(C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000175740447 546341866 /nfs/dbraw/zinc/34/18/66/546341866.db2.gz QWPYCEWAFNTYSD-IBGZPJMESA-N 1 3 368.566 2.252 20 0 FEADHO CN(C)[C@@]1(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCSC1 ZINC000480259475 561205919 /nfs/dbraw/zinc/20/59/19/561205919.db2.gz FULAUUXANHWYRT-UYAOXDASSA-N 1 3 361.555 2.452 20 0 FEADHO CN(C)[C@@]1(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCSC1 ZINC000480259475 561205920 /nfs/dbraw/zinc/20/59/20/561205920.db2.gz FULAUUXANHWYRT-UYAOXDASSA-N 1 3 361.555 2.452 20 0 FEADHO CCSCC[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176382850 546438241 /nfs/dbraw/zinc/43/82/41/546438241.db2.gz JURHVVDWUGADRL-HNNXBMFYSA-N 1 3 356.580 2.376 20 0 FEADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000176622398 546468340 /nfs/dbraw/zinc/46/83/40/546468340.db2.gz PJSBFUFAWVJVOV-SFHVURJKSA-N 1 3 368.566 2.249 20 0 FEADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000176622398 546468347 /nfs/dbraw/zinc/46/83/47/546468347.db2.gz PJSBFUFAWVJVOV-SFHVURJKSA-N 1 3 368.566 2.249 20 0 FEADHO C[NH+](C)C1CCN(CCNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000177155296 546557534 /nfs/dbraw/zinc/55/75/34/546557534.db2.gz QURDYEACBICYGI-UHFFFAOYSA-N 1 3 358.530 2.038 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481022821 561223102 /nfs/dbraw/zinc/22/31/02/561223102.db2.gz KJQZSKYTAWGTPA-SOLBZPMBSA-N 1 3 356.580 2.091 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481022821 561223103 /nfs/dbraw/zinc/22/31/03/561223103.db2.gz KJQZSKYTAWGTPA-SOLBZPMBSA-N 1 3 356.580 2.091 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000481022818 561223224 /nfs/dbraw/zinc/22/32/24/561223224.db2.gz KJQZSKYTAWGTPA-NUJGCVRESA-N 1 3 356.580 2.091 20 0 FEADHO CN(C)[C@]1(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCSC1 ZINC000481037467 561223642 /nfs/dbraw/zinc/22/36/42/561223642.db2.gz NGZAUEFOJAEGGN-AEFFLSMTSA-N 1 3 356.580 2.233 20 0 FEADHO c1cc([C@H]2CCCN(CCOCC[N@H+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000178611518 546819869 /nfs/dbraw/zinc/81/98/69/546819869.db2.gz RJVNKLGOWFXZJD-ROUUACIJSA-N 1 3 372.517 2.208 20 0 FEADHO C[C@@H](O)C[C@@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000179076709 546895793 /nfs/dbraw/zinc/89/57/93/546895793.db2.gz KLRJJYIUPODBEK-XLIONFOSSA-N 1 3 359.514 2.134 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(OC)CCCCC1 ZINC000483367400 561275066 /nfs/dbraw/zinc/27/50/66/561275066.db2.gz PLICYJBANTYJFP-SFHVURJKSA-N 1 3 368.566 2.393 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(OC)CCCCC1 ZINC000483367400 561275067 /nfs/dbraw/zinc/27/50/67/561275067.db2.gz PLICYJBANTYJFP-SFHVURJKSA-N 1 3 368.566 2.393 20 0 FEADHO CC[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCO1 ZINC000182240701 547459482 /nfs/dbraw/zinc/45/94/82/547459482.db2.gz XTTKYCGFXYUBAB-PMACEKPBSA-N 1 3 359.514 2.446 20 0 FEADHO CN1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000483831528 561284720 /nfs/dbraw/zinc/28/47/20/561284720.db2.gz RTONTKLSOCURJT-UHFFFAOYSA-N 1 3 354.564 2.085 20 0 FEADHO C[C@@H](NC(=O)c1ccnc(OCCN(C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182822511 547557662 /nfs/dbraw/zinc/55/76/62/547557662.db2.gz JCVYXZHRROQPAM-SJLPKXTDSA-N 1 3 374.529 2.405 20 0 FEADHO C[C@@H](NC(=O)c1ccnc(OCCN(C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182822511 547557667 /nfs/dbraw/zinc/55/76/67/547557667.db2.gz JCVYXZHRROQPAM-SJLPKXTDSA-N 1 3 374.529 2.405 20 0 FEADHO CN(C)Cc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000183761107 547714353 /nfs/dbraw/zinc/71/43/53/547714353.db2.gz YDALGLJIIBEOOC-NRFANRHFSA-N 1 3 367.493 2.245 20 0 FEADHO CN(C)Cc1cccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000183761107 547714360 /nfs/dbraw/zinc/71/43/60/547714360.db2.gz YDALGLJIIBEOOC-NRFANRHFSA-N 1 3 367.493 2.245 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000185586242 548006127 /nfs/dbraw/zinc/00/61/27/548006127.db2.gz OHQVMFHRNDNVLT-SFHVURJKSA-N 1 3 368.566 2.440 20 0 FEADHO CN(C)CCn1ncc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1-c1ccccc1 ZINC000485694619 561326045 /nfs/dbraw/zinc/32/60/45/561326045.db2.gz VZVUDAUNPNMFCO-IBGZPJMESA-N 1 3 369.513 2.182 20 0 FEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000186087406 548082049 /nfs/dbraw/zinc/08/20/49/548082049.db2.gz IOIIJRORYXFTNI-MSOLQXFVSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000186087425 548083469 /nfs/dbraw/zinc/08/34/69/548083469.db2.gz IOIIJRORYXFTNI-ZWKOTPCHSA-N 1 3 354.539 2.003 20 0 FEADHO COC1CC[NH+](C2(CNC(=O)CC3CCN(C)CC3)CCCC2)CC1 ZINC000486243454 561342061 /nfs/dbraw/zinc/34/20/61/561342061.db2.gz ZFFPPJRKFMFMCW-UHFFFAOYSA-N 1 3 351.535 2.258 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC[C@H]([NH3+])c3ccccc3)cc2)CC1 ZINC000236996376 548793591 /nfs/dbraw/zinc/79/35/91/548793591.db2.gz RPBSSPIFFPPULT-FQEVSTJZSA-N 1 3 352.482 2.258 20 0 FEADHO Cc1c(C(=O)Nc2cc(CN(C)C)ccc2C)nnn1C1CC[NH2+]CC1 ZINC000237066003 548797876 /nfs/dbraw/zinc/79/78/76/548797876.db2.gz OZAITHLHPCJUDX-UHFFFAOYSA-N 1 3 356.474 2.133 20 0 FEADHO C[NH2+]C[C@H](C)CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237157519 548805506 /nfs/dbraw/zinc/80/55/06/548805506.db2.gz SFOPHIJCRZPTRJ-YOEHRIQHSA-N 1 3 357.420 2.413 20 0 FEADHO C[C@@H]([NH3+])C(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000237330619 548818595 /nfs/dbraw/zinc/81/85/95/548818595.db2.gz YLIHUDJJMSPPRI-QGZVFWFLSA-N 1 3 352.482 2.290 20 0 FEADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000237524202 548832175 /nfs/dbraw/zinc/83/21/75/548832175.db2.gz AKKSZULJICBWQM-PXNSSMCTSA-N 1 3 359.514 2.446 20 0 FEADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000237524202 548832177 /nfs/dbraw/zinc/83/21/77/548832177.db2.gz AKKSZULJICBWQM-PXNSSMCTSA-N 1 3 359.514 2.446 20 0 FEADHO C[C@H](NC1(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)CCOCC1)c1ccccc1 ZINC000237534639 548832484 /nfs/dbraw/zinc/83/24/84/548832484.db2.gz YLRUIGNWUVLOBP-HKUYNNGSSA-N 1 3 371.525 2.392 20 0 FEADHO Cc1ccc(C[NH+]2CCC(CNC(=O)C[C@@H]3CSCCN3)CC2)cc1 ZINC000237721890 548847715 /nfs/dbraw/zinc/84/77/15/548847715.db2.gz ZJFAEIHIEUIQJA-LJQANCHMSA-N 1 3 361.555 2.418 20 0 FEADHO O=C(CNC[C@H]1CCCO1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000237926675 548865119 /nfs/dbraw/zinc/86/51/19/548865119.db2.gz VOGBCDXXMXZTHV-RAFMOHDBSA-N 1 3 357.498 2.067 20 0 FEADHO O=C(CNC[C@H]1CCCO1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000237926675 548865122 /nfs/dbraw/zinc/86/51/22/548865122.db2.gz VOGBCDXXMXZTHV-RAFMOHDBSA-N 1 3 357.498 2.067 20 0 FEADHO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000238071139 548876623 /nfs/dbraw/zinc/87/66/23/548876623.db2.gz LKCYMNJOCFABEE-GOSISDBHSA-N 1 3 374.554 2.252 20 0 FEADHO CC[N@@H+]1CC[C@H](NCCNC(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000246809767 549217826 /nfs/dbraw/zinc/21/78/26/549217826.db2.gz ANWPBTSJXJLKNX-BBRMVZONSA-N 1 3 368.319 2.499 20 0 FEADHO CC[N@H+]1CC[C@H](NCCNC(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000246809767 549217830 /nfs/dbraw/zinc/21/78/30/549217830.db2.gz ANWPBTSJXJLKNX-BBRMVZONSA-N 1 3 368.319 2.499 20 0 FEADHO C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)N1[C@H](C)CC[C@@H]1C ZINC000247051330 549272748 /nfs/dbraw/zinc/27/27/48/549272748.db2.gz WPFAJBIFWCJLQH-FGTMMUONSA-N 1 3 351.535 2.399 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(C3CC3)CC2)[C@@H](C)C1 ZINC000247211997 549299767 /nfs/dbraw/zinc/29/97/67/549299767.db2.gz MLRBZLGDYAQDKG-QFBILLFUSA-N 1 3 366.550 2.049 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NC2CCN(C3CC3)CC2)[C@@H](C)C1 ZINC000247211997 549299771 /nfs/dbraw/zinc/29/97/71/549299771.db2.gz MLRBZLGDYAQDKG-QFBILLFUSA-N 1 3 366.550 2.049 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(-n3cnnn3)cc2)[C@H](C)C1 ZINC000247941251 549393451 /nfs/dbraw/zinc/39/34/51/549393451.db2.gz CZVIJRIZHJHUNL-HLIPFELVSA-N 1 3 372.517 2.450 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(-n3cnnn3)cc2)[C@H](C)C1 ZINC000247941251 549393453 /nfs/dbraw/zinc/39/34/53/549393453.db2.gz CZVIJRIZHJHUNL-HLIPFELVSA-N 1 3 372.517 2.450 20 0 FEADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@@H](C)C1 ZINC000489757681 561418368 /nfs/dbraw/zinc/41/83/68/561418368.db2.gz UKTCJSJWCDXZDO-CWBGTKBPSA-N 1 3 350.551 2.479 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCCC[C@H]2CC[NH3+])CC1 ZINC000489824057 561419715 /nfs/dbraw/zinc/41/97/15/561419715.db2.gz CHDUSHOZMNYYGL-NRFANRHFSA-N 1 3 372.557 2.233 20 0 FEADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261687154 549743360 /nfs/dbraw/zinc/74/33/60/549743360.db2.gz DSIMJXZULMBTAL-OTWHNJEPSA-N 1 3 359.489 2.496 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](N)C2CCOCC2)cc1 ZINC000261737305 549749741 /nfs/dbraw/zinc/74/97/41/549749741.db2.gz KGRLXAGICVWIQW-UZLBHIALSA-N 1 3 359.514 2.431 20 0 FEADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](N)C2CCOCC2)cc1 ZINC000261737305 549749743 /nfs/dbraw/zinc/74/97/43/549749743.db2.gz KGRLXAGICVWIQW-UZLBHIALSA-N 1 3 359.514 2.431 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](N)C1CCOCC1 ZINC000261925007 549770123 /nfs/dbraw/zinc/77/01/23/549770123.db2.gz ZDKIBICZEMWYTQ-OXQOHEQNSA-N 1 3 359.514 2.431 20 0 FEADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](N)C1CCOCC1 ZINC000261925007 549770125 /nfs/dbraw/zinc/77/01/25/549770125.db2.gz ZDKIBICZEMWYTQ-OXQOHEQNSA-N 1 3 359.514 2.431 20 0 FEADHO CC(C)c1nn(-c2ccccc2)cc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262092354 549788072 /nfs/dbraw/zinc/78/80/72/549788072.db2.gz HGQMMISTWFCQTM-FQEVSTJZSA-N 1 3 353.514 2.475 20 0 FEADHO CC(C)c1nn(-c2ccccc2)cc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262092357 549788100 /nfs/dbraw/zinc/78/81/00/549788100.db2.gz HGQMMISTWFCQTM-HXUWFJFHSA-N 1 3 353.514 2.475 20 0 FEADHO C[C@@H]1CCC[C@](CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)([NH+](C)C)C1 ZINC000262286399 549806240 /nfs/dbraw/zinc/80/62/40/549806240.db2.gz VJOAEAAEOMYTJT-BROHORATSA-N 1 3 351.535 2.146 20 0 FEADHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000262326846 549810783 /nfs/dbraw/zinc/81/07/83/549810783.db2.gz GFEAZICSYPKGAP-IBGZPJMESA-N 1 3 353.466 2.244 20 0 FEADHO NC1(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCCCC1 ZINC000262661971 549836340 /nfs/dbraw/zinc/83/63/40/549836340.db2.gz GPWHBYDMSAIDPR-IBGZPJMESA-N 1 3 359.514 2.210 20 0 FEADHO Cc1ccc([C@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)N(C)C)cc1 ZINC000262718710 549842741 /nfs/dbraw/zinc/84/27/41/549842741.db2.gz HLFIXTWTAXHMQB-HKUYNNGSSA-N 1 3 355.486 2.149 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H]1CSCCN1 ZINC000262735385 549844422 /nfs/dbraw/zinc/84/44/22/549844422.db2.gz CKTWUGJOKOOZOY-WBQJQJEBSA-N 1 3 361.555 2.354 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H]1CSCCN1 ZINC000262735385 549844424 /nfs/dbraw/zinc/84/44/24/549844424.db2.gz CKTWUGJOKOOZOY-WBQJQJEBSA-N 1 3 361.555 2.354 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000262767395 549847894 /nfs/dbraw/zinc/84/78/94/549847894.db2.gz GMZYHGNHSYEUQK-KNKQGSTJSA-N 1 3 373.541 2.499 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000262767395 549847897 /nfs/dbraw/zinc/84/78/97/549847897.db2.gz GMZYHGNHSYEUQK-KNKQGSTJSA-N 1 3 373.541 2.499 20 0 FEADHO CC(C)Oc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccn1 ZINC000268418044 550062089 /nfs/dbraw/zinc/06/20/89/550062089.db2.gz FYOLKMYXHMTBKI-UHFFFAOYSA-N 1 3 360.502 2.157 20 0 FEADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000268799357 550117151 /nfs/dbraw/zinc/11/71/51/550117151.db2.gz APGUADVOOONFRO-WMZOPIPTSA-N 1 3 358.486 2.106 20 0 FEADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000268799349 550117584 /nfs/dbraw/zinc/11/75/84/550117584.db2.gz APGUADVOOONFRO-AEFFLSMTSA-N 1 3 358.486 2.106 20 0 FEADHO CN1CCC(O)(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000268963907 550137799 /nfs/dbraw/zinc/13/77/99/550137799.db2.gz GKKKUVVXQMJLDX-MRXNPFEDSA-N 1 3 353.304 2.353 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H](N)C(C)C)cc1OC ZINC000269228269 550169860 /nfs/dbraw/zinc/16/98/60/550169860.db2.gz GHEYSHXGYRBEQX-GOSISDBHSA-N 1 3 351.491 2.015 20 0 FEADHO CN(C)CCOc1ccccc1N1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000271357987 550368357 /nfs/dbraw/zinc/36/83/57/550368357.db2.gz ZPAAYOPIAZRLJY-LJQANCHMSA-N 1 3 360.546 2.233 20 0 FEADHO CN(C)CCOc1ccccc1N1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000271357987 550368359 /nfs/dbraw/zinc/36/83/59/550368359.db2.gz ZPAAYOPIAZRLJY-LJQANCHMSA-N 1 3 360.546 2.233 20 0 FEADHO CCN(CC)C(=O)C[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000272738103 550467908 /nfs/dbraw/zinc/46/79/08/550467908.db2.gz KISKBVYCASTKGZ-PXNSSMCTSA-N 1 3 361.530 2.380 20 0 FEADHO CCN(CC)C(=O)C[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272738103 550467910 /nfs/dbraw/zinc/46/79/10/550467910.db2.gz KISKBVYCASTKGZ-PXNSSMCTSA-N 1 3 361.530 2.380 20 0 FEADHO CC[C@H]1CN(C(=O)CCN2CC[NH+](CC)CC2)CCN1Cc1ccccc1 ZINC000274210022 550527926 /nfs/dbraw/zinc/52/79/26/550527926.db2.gz NGBVUGTUZPPQSZ-NRFANRHFSA-N 1 3 372.557 2.137 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)COc2ccccc2C)[C@H](C)C1 ZINC000274813936 550556826 /nfs/dbraw/zinc/55/68/26/550556826.db2.gz FAPYJZNIJQOFCY-AQNXPRMDSA-N 1 3 364.530 2.461 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)COc2ccccc2C)[C@H](C)C1 ZINC000274813936 550556828 /nfs/dbraw/zinc/55/68/28/550556828.db2.gz FAPYJZNIJQOFCY-AQNXPRMDSA-N 1 3 364.530 2.461 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000494685998 561474196 /nfs/dbraw/zinc/47/41/96/561474196.db2.gz AEGOXJZRZVTHJA-FGTMMUONSA-N 1 3 366.550 2.144 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000494685998 561474197 /nfs/dbraw/zinc/47/41/97/561474197.db2.gz AEGOXJZRZVTHJA-FGTMMUONSA-N 1 3 366.550 2.144 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H](c2ccccc2)N(C)C)CCCO1 ZINC000277259802 550648824 /nfs/dbraw/zinc/64/88/24/550648824.db2.gz AMESTDLTLHDOIU-IEBWSBKVSA-N 1 3 362.518 2.089 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H](c2ccccc2)N(C)C)CCCO1 ZINC000277259802 550648825 /nfs/dbraw/zinc/64/88/25/550648825.db2.gz AMESTDLTLHDOIU-IEBWSBKVSA-N 1 3 362.518 2.089 20 0 FEADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C1CC[NH+](C2CC2)CC1 ZINC000278648805 550808070 /nfs/dbraw/zinc/80/80/70/550808070.db2.gz BBCCJIFQKVCTKM-NRFANRHFSA-N 1 3 371.525 2.268 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000278743426 550817240 /nfs/dbraw/zinc/81/72/40/550817240.db2.gz SAHXYXOSLYBGMR-HXUWFJFHSA-N 1 3 374.529 2.157 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000278743426 550817241 /nfs/dbraw/zinc/81/72/41/550817241.db2.gz SAHXYXOSLYBGMR-HXUWFJFHSA-N 1 3 374.529 2.157 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278998737 550845165 /nfs/dbraw/zinc/84/51/65/550845165.db2.gz LYHBROGFPKGPHP-HUUCEWRRSA-N 1 3 373.526 2.190 20 0 FEADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279066023 550852630 /nfs/dbraw/zinc/85/26/30/550852630.db2.gz SXBOMJJADYUBHL-LPHOPBHVSA-N 1 3 353.470 2.054 20 0 FEADHO CS[C@@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@@H]1[NH+](C)C ZINC000495731331 561490699 /nfs/dbraw/zinc/49/06/99/561490699.db2.gz ZVKHSQUGBDRFQC-ZWKOTPCHSA-N 1 3 356.495 2.365 20 0 FEADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1CCCN1CCOC ZINC000496645610 561495187 /nfs/dbraw/zinc/49/51/87/561495187.db2.gz BPXHUSLOJZTORC-SFHVURJKSA-N 1 3 354.539 2.005 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3C(F)(F)F)[C@H]2C1 ZINC000498440147 561524517 /nfs/dbraw/zinc/52/45/17/561524517.db2.gz GIIZINWJPQRYPL-TUVASFSCSA-N 1 3 361.452 2.448 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3C(F)(F)F)[C@H]2C1 ZINC000498440147 561524518 /nfs/dbraw/zinc/52/45/18/561524518.db2.gz GIIZINWJPQRYPL-TUVASFSCSA-N 1 3 361.452 2.448 20 0 FEADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000285135377 551709593 /nfs/dbraw/zinc/70/95/93/551709593.db2.gz QLDJVOBZVSLDOP-DLBZAZTESA-N 1 3 351.441 2.212 20 0 FEADHO C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)C1 ZINC000285135377 551709594 /nfs/dbraw/zinc/70/95/94/551709594.db2.gz QLDJVOBZVSLDOP-DLBZAZTESA-N 1 3 351.441 2.212 20 0 FEADHO C[NH+]1CCC(Oc2ccc(CNC(=O)[C@H]3CCCN3C3CC3)cc2)CC1 ZINC000285722226 551801262 /nfs/dbraw/zinc/80/12/62/551801262.db2.gz NISPSSKQAHOIHJ-HXUWFJFHSA-N 1 3 357.498 2.403 20 0 FEADHO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000287001267 551950388 /nfs/dbraw/zinc/95/03/88/551950388.db2.gz MXBHZSYYKDCITH-HNNXBMFYSA-N 1 3 350.532 2.350 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287291084 551985991 /nfs/dbraw/zinc/98/59/91/551985991.db2.gz UQNQKCARDVLBEF-WRURNZQNSA-N 1 3 358.530 2.426 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287291084 551985992 /nfs/dbraw/zinc/98/59/92/551985992.db2.gz UQNQKCARDVLBEF-WRURNZQNSA-N 1 3 358.530 2.426 20 0 FEADHO C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000288432113 552152532 /nfs/dbraw/zinc/15/25/32/552152532.db2.gz DILNTXCTPKGLSR-YWZLYKJASA-N 1 3 372.513 2.366 20 0 FEADHO CN1CCCN(c2ccc(-c3noc(CC4CC[NH+](C)CC4)n3)cn2)CC1 ZINC000288923716 552236993 /nfs/dbraw/zinc/23/69/93/552236993.db2.gz MFWDWKQMWGFJJR-UHFFFAOYSA-N 1 3 370.501 2.158 20 0 FEADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000290274278 552452259 /nfs/dbraw/zinc/45/22/59/552452259.db2.gz YTWYFPQXHGKMPN-WOJBJXKFSA-N 1 3 359.514 2.464 20 0 FEADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3c[nH]c4nccnc34)cc2)CC1 ZINC000290553486 552497452 /nfs/dbraw/zinc/49/74/52/552497452.db2.gz BBSRETBQMIMDEK-UHFFFAOYSA-N 1 3 364.497 2.385 20 0 FEADHO O=C(CC[C@H]1CCC[NH2+]1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000291996489 552682707 /nfs/dbraw/zinc/68/27/07/552682707.db2.gz BTEJZRXHMWBOEI-LJQANCHMSA-N 1 3 358.530 2.237 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000297546482 553307050 /nfs/dbraw/zinc/30/70/50/553307050.db2.gz WUCKLXOXLFKEJY-UHFFFAOYSA-N 1 3 358.490 2.088 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000297546482 553307051 /nfs/dbraw/zinc/30/70/51/553307051.db2.gz WUCKLXOXLFKEJY-UHFFFAOYSA-N 1 3 358.490 2.088 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCC(=O)NC1CCN(C2CC2)CC1 ZINC000503225544 561637353 /nfs/dbraw/zinc/63/73/53/561637353.db2.gz YUAXEDFVQARQBF-PXNSSMCTSA-N 1 3 364.578 2.220 20 0 FEADHO CCN1CCN([C@@H]2CCN(c3cc[nH+]c4cc(OC)c(OC)cc43)C2)CC1 ZINC000298166199 553393104 /nfs/dbraw/zinc/39/31/04/553393104.db2.gz FJUGGQKZKUHTBX-MRXNPFEDSA-N 1 3 370.497 2.468 20 0 FEADHO C[C@@H]1CN(c2ccccc2C[NH2+]C2CCN(CCN(C)C)CC2)CCO1 ZINC000298218433 553399361 /nfs/dbraw/zinc/39/93/61/553399361.db2.gz ADLNAOZQZXTGBT-GOSISDBHSA-N 1 3 360.546 2.027 20 0 FEADHO COc1cccc(OC)c1OC[C@H](O)C[N@H+](C)C1CCN(C(C)C)CC1 ZINC000299231428 553534057 /nfs/dbraw/zinc/53/40/57/553534057.db2.gz REIIYZRKQCUYFP-QGZVFWFLSA-N 1 3 366.502 2.248 20 0 FEADHO COc1cccc(OC)c1OC[C@H](O)C[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000299231428 553534060 /nfs/dbraw/zinc/53/40/60/553534060.db2.gz REIIYZRKQCUYFP-QGZVFWFLSA-N 1 3 366.502 2.248 20 0 FEADHO CCN1CCN(CCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000299641578 553594099 /nfs/dbraw/zinc/59/40/99/553594099.db2.gz KLDBTCAICHJHAY-UHFFFAOYSA-N 1 3 372.557 2.316 20 0 FEADHO CCN1CCN(CCC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000299702129 553603158 /nfs/dbraw/zinc/60/31/58/553603158.db2.gz YDWMCCXXJGTOTE-FQEVSTJZSA-N 1 3 360.546 2.213 20 0 FEADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000504816399 561662526 /nfs/dbraw/zinc/66/25/26/561662526.db2.gz CSWSQMNRBXSQGU-SFHVURJKSA-N 1 3 352.567 2.029 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCOc1ccc(F)cc1 ZINC000505783346 561680598 /nfs/dbraw/zinc/68/05/98/561680598.db2.gz JWRYMPROXLONAF-SFHVURJKSA-N 1 3 365.493 2.469 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCOc1ccc(F)cc1 ZINC000505783346 561680600 /nfs/dbraw/zinc/68/06/00/561680600.db2.gz JWRYMPROXLONAF-SFHVURJKSA-N 1 3 365.493 2.469 20 0 FEADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000506530975 561701271 /nfs/dbraw/zinc/70/12/71/561701271.db2.gz OWOHJLZWJMQQJM-FPOVZHCZSA-N 1 3 361.530 2.249 20 0 FEADHO CCN1CCN([C@H](C)C[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000507514055 561731542 /nfs/dbraw/zinc/73/15/42/561731542.db2.gz SYWSDRQKXBNSHL-OAHLLOKOSA-N 1 3 350.473 2.019 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN[C@]2(CO)C[C@@H](C)CC(C)(C)C2)CC1 ZINC000331349617 554249877 /nfs/dbraw/zinc/24/98/77/554249877.db2.gz NNIGXCWNQNGXME-OXJNMPFZSA-N 1 3 353.551 2.142 20 0 FEADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccccc3N3CCOCC3)CC2)C1 ZINC000333116138 554574209 /nfs/dbraw/zinc/57/42/09/554574209.db2.gz HJQPQFYNCVSRIM-FPOVZHCZSA-N 1 3 359.514 2.242 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)c(C)c2)CC1 ZINC000333145241 554579188 /nfs/dbraw/zinc/57/91/88/554579188.db2.gz LQVYWBFOZMAOHW-WDSOQIARSA-N 1 3 371.529 2.338 20 0 FEADHO C[C@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C[C@H]1C[NH3+] ZINC000333444876 554613961 /nfs/dbraw/zinc/61/39/61/554613961.db2.gz WPQZXCCWVLPCMV-DLBZAZTESA-N 1 3 368.591 2.364 20 0 FEADHO C[C@H]1CN(CCC(=O)Nc2ccccc2F)CCN1C1CC[NH+](C)CC1 ZINC000362644279 554977705 /nfs/dbraw/zinc/97/77/05/554977705.db2.gz ZCTQEALELIFUGO-INIZCTEOSA-N 1 3 362.493 2.255 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000362860256 554993799 /nfs/dbraw/zinc/99/37/99/554993799.db2.gz SHWDOTCATVLCOK-PMACEKPBSA-N 1 3 373.545 2.277 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000362860256 554993802 /nfs/dbraw/zinc/99/38/02/554993802.db2.gz SHWDOTCATVLCOK-PMACEKPBSA-N 1 3 373.545 2.277 20 0 FEADHO C[C@H]1CN(C(=O)C2CC[NH+](CCCN3CCCCC3)CC2)C[C@H](C)O1 ZINC000363006528 555008138 /nfs/dbraw/zinc/00/81/38/555008138.db2.gz LTNDDKVYSCYRSB-ROUUACIJSA-N 1 3 351.535 2.210 20 0 FEADHO CN1CC[C@H](CNC(=O)NCC2CC[NH+](C)CC2)[C@H]1c1cccs1 ZINC000363251136 555064195 /nfs/dbraw/zinc/06/41/95/555064195.db2.gz ZOUJNNSERJDOEC-WBVHZDCISA-N 1 3 350.532 2.382 20 0 FEADHO Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CCN(C3CCOCC3)CC2)cc1 ZINC000363452680 555109232 /nfs/dbraw/zinc/10/92/32/555109232.db2.gz KPFROMNKPCVZDH-HXUWFJFHSA-N 1 3 362.514 2.310 20 0 FEADHO Cc1ccc(OC[C@H](O)C[N@H+](C)C2CCN(C3CCOCC3)CC2)cc1 ZINC000363452680 555109234 /nfs/dbraw/zinc/10/92/34/555109234.db2.gz KPFROMNKPCVZDH-HXUWFJFHSA-N 1 3 362.514 2.310 20 0 FEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000363822318 555193559 /nfs/dbraw/zinc/19/35/59/555193559.db2.gz KZSIOHJSQKGPDR-IZZBFERCSA-N 1 3 362.514 2.214 20 0 FEADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000363822318 555193560 /nfs/dbraw/zinc/19/35/60/555193560.db2.gz KZSIOHJSQKGPDR-IZZBFERCSA-N 1 3 362.514 2.214 20 0 FEADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000364206590 555269510 /nfs/dbraw/zinc/26/95/10/555269510.db2.gz KRHYGTCVLASHAT-WOJBJXKFSA-N 1 3 373.545 2.467 20 0 FEADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000364206590 555269512 /nfs/dbraw/zinc/26/95/12/555269512.db2.gz KRHYGTCVLASHAT-WOJBJXKFSA-N 1 3 373.545 2.467 20 0 FEADHO C[C@H](N[C@H]1CCN(c2ccn(C)n2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364346844 555295777 /nfs/dbraw/zinc/29/57/77/555295777.db2.gz JOOCGQURAGLGRE-IHPCNDPISA-N 1 3 353.514 2.499 20 0 FEADHO C[C@H](N[C@H]1CCN(c2ccn(C)n2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364346844 555295780 /nfs/dbraw/zinc/29/57/80/555295780.db2.gz JOOCGQURAGLGRE-IHPCNDPISA-N 1 3 353.514 2.499 20 0 FEADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)C[C@@H]1CSCCN1 ZINC000364945758 555446678 /nfs/dbraw/zinc/44/66/78/555446678.db2.gz DGUWMECFCXNRHO-IPMKNSEASA-N 1 3 361.555 2.280 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000365421872 555570670 /nfs/dbraw/zinc/57/06/70/555570670.db2.gz TYKWIHWHXPKRFP-UHFFFAOYSA-N 1 3 374.529 2.443 20 0 FEADHO CCN1CCN(CCCCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000365446214 555577691 /nfs/dbraw/zinc/57/76/91/555577691.db2.gz YVCAXSFUZDLCOK-FQEVSTJZSA-N 1 3 364.578 2.317 20 0 FEADHO CCN1CCN(CCCCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000365446214 555577695 /nfs/dbraw/zinc/57/76/95/555577695.db2.gz YVCAXSFUZDLCOK-FQEVSTJZSA-N 1 3 364.578 2.317 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000365501777 555592355 /nfs/dbraw/zinc/59/23/55/555592355.db2.gz BGKPGBQDMLNJNJ-HNNXBMFYSA-N 1 3 366.550 2.190 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CCN3CCCCC3)c2)[C@@H](C)C1 ZINC000365527138 555599846 /nfs/dbraw/zinc/59/98/46/555599846.db2.gz XQMSMRXYTFMZCH-PKOBYXMFSA-N 1 3 361.534 2.171 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CCN3CCCCC3)c2)[C@@H](C)C1 ZINC000365527138 555599848 /nfs/dbraw/zinc/59/98/48/555599848.db2.gz XQMSMRXYTFMZCH-PKOBYXMFSA-N 1 3 361.534 2.171 20 0 FEADHO CC[C@H](C)[C@@H](N)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366328754 555813706 /nfs/dbraw/zinc/81/37/06/555813706.db2.gz VWHRYOZONJOQEE-QFBILLFUSA-N 1 3 352.567 2.015 20 0 FEADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000366946082 555978813 /nfs/dbraw/zinc/97/88/13/555978813.db2.gz RCOOCCUVBRXLNL-SZMVWBNQSA-N 1 3 351.441 2.196 20 0 FEADHO C[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000368389802 556294669 /nfs/dbraw/zinc/29/46/69/556294669.db2.gz KQHGRQANJPIWMD-WIYYLYMNSA-N 1 3 372.557 2.354 20 0 FEADHO C[C@@H]1CCC[N@H+]1C1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000368389802 556294670 /nfs/dbraw/zinc/29/46/70/556294670.db2.gz KQHGRQANJPIWMD-WIYYLYMNSA-N 1 3 372.557 2.354 20 0 FEADHO COc1ncc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1Cl ZINC000515346439 562006321 /nfs/dbraw/zinc/00/63/21/562006321.db2.gz ZEHTWEXNHZMYPI-CXMBCZLWSA-N 1 3 366.893 2.041 20 0 FEADHO CC1CC[NH+](CCNC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000369219314 556539478 /nfs/dbraw/zinc/53/94/78/556539478.db2.gz DFNDWPZIXRTDIZ-FQEVSTJZSA-N 1 3 373.545 2.325 20 0 FEADHO COCCN1CC[C@@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000369478986 556608010 /nfs/dbraw/zinc/60/80/10/556608010.db2.gz QCRBNYOVGQBURV-LJQANCHMSA-N 1 3 366.550 2.051 20 0 FEADHO CN1CC[C@@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@@H]1c1cccnc1 ZINC000369891326 556722769 /nfs/dbraw/zinc/72/27/69/556722769.db2.gz DELACSXVLZYPGQ-MANSERQUSA-N 1 3 359.518 2.246 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000370082249 556776221 /nfs/dbraw/zinc/77/62/21/556776221.db2.gz NQYUETUVMSEPND-INIZCTEOSA-N 1 3 366.550 2.144 20 0 FEADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000370461113 556879607 /nfs/dbraw/zinc/87/96/07/556879607.db2.gz CUMWXDGIIOCCBX-HNAYVOBHSA-N 1 3 357.502 2.175 20 0 FEADHO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000516867628 562061666 /nfs/dbraw/zinc/06/16/66/562061666.db2.gz JBMHDOSZHWHZIX-SJORKVTESA-N 1 3 374.529 2.095 20 0 FEADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3CCCCN3CCO)ccc21 ZINC000516953918 562067029 /nfs/dbraw/zinc/06/70/29/562067029.db2.gz LQKCBHJAFVHZRO-IEBWSBKVSA-N 1 3 360.502 2.204 20 0 FEADHO [NH3+][C@@H](CC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1 ZINC000371280954 557129732 /nfs/dbraw/zinc/12/97/32/557129732.db2.gz SVZYGGDQWSYDFL-ICSRJNTNSA-N 1 3 352.482 2.500 20 0 FEADHO C[C@@H]1CN(CCC(=O)Nc2ccccc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371301058 557137265 /nfs/dbraw/zinc/13/72/65/557137265.db2.gz CXBKIIHVULVMMR-VQIMIIECSA-N 1 3 362.493 2.112 20 0 FEADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000371610114 557238717 /nfs/dbraw/zinc/23/87/17/557238717.db2.gz BGRBAPGEJRFFJX-UXHICEINSA-N 1 3 357.498 2.290 20 0 FEADHO CC(C)[NH+](CCNC(=O)N1CCCN(C2CCOCC2)CC1)C(C)C ZINC000371690958 557264279 /nfs/dbraw/zinc/26/42/79/557264279.db2.gz MBDYTDTVKVBVHL-UHFFFAOYSA-N 1 3 354.539 2.002 20 0 FEADHO C[NH+](C)Cc1cccc(CNC(=O)c2cnn(CCN3CCCCC3)c2)c1 ZINC000371794632 557295242 /nfs/dbraw/zinc/29/52/42/557295242.db2.gz BKPAYEFDBYOTTK-UHFFFAOYSA-N 1 3 369.513 2.361 20 0 FEADHO CCCN1CCN(C2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)CC1 ZINC000371803436 557298118 /nfs/dbraw/zinc/29/81/18/557298118.db2.gz PLBMUZKUYQZKRL-JOCHJYFZSA-N 1 3 359.558 2.472 20 0 FEADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000518360099 562109504 /nfs/dbraw/zinc/10/95/04/562109504.db2.gz LKZIOPILKVIRSH-INIZCTEOSA-N 1 3 363.527 2.432 20 0 FEADHO O=C(c1cccc(CN2CCCC2)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000518758996 562117731 /nfs/dbraw/zinc/11/77/31/562117731.db2.gz RQOFERBBADYTGO-UHFFFAOYSA-N 1 3 370.541 2.136 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1csc(CC[NH3+])n1 ZINC000518536989 562113863 /nfs/dbraw/zinc/11/38/63/562113863.db2.gz RFVXIYBUHCSOEQ-UHFFFAOYSA-N 1 3 368.453 2.127 20 0 FEADHO C[NH+](C)[C@H](CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000372464214 557478049 /nfs/dbraw/zinc/47/80/49/557478049.db2.gz PMUJWNCAXHXMKP-PFRQMTDMSA-N 1 3 351.535 2.146 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000372672140 557534377 /nfs/dbraw/zinc/53/43/77/557534377.db2.gz FVJXPFBRCICZJZ-UHFFFAOYSA-N 1 3 372.513 2.082 20 0 FEADHO CN(CCOCC(F)(F)C(F)(F)F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372745238 557553005 /nfs/dbraw/zinc/55/30/05/557553005.db2.gz SZPRZIVKLMAHMI-CQSZACIVSA-N 1 3 373.410 2.301 20 0 FEADHO CN(CCOCC(F)(F)C(F)(F)F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372745238 557553008 /nfs/dbraw/zinc/55/30/08/557553008.db2.gz SZPRZIVKLMAHMI-CQSZACIVSA-N 1 3 373.410 2.301 20 0 FEADHO C[C@@H]1C[C@H](NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC[N@@H+]1C ZINC000519825513 562145572 /nfs/dbraw/zinc/14/55/72/562145572.db2.gz VEMYZQPKPIXJNS-NVXWUHKLSA-N 1 3 358.486 2.214 20 0 FEADHO C[C@@H]1C[C@H](NCCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC[N@H+]1C ZINC000519825513 562145573 /nfs/dbraw/zinc/14/55/73/562145573.db2.gz VEMYZQPKPIXJNS-NVXWUHKLSA-N 1 3 358.486 2.214 20 0 FEADHO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C1CCN(Cc2cccnc2)CC1 ZINC000373130431 557635068 /nfs/dbraw/zinc/63/50/68/557635068.db2.gz LMIYOUXRUPJUGH-HXUWFJFHSA-N 1 3 356.514 2.427 20 0 FEADHO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C1CCN(Cc2cccnc2)CC1 ZINC000373130431 557635069 /nfs/dbraw/zinc/63/50/69/557635069.db2.gz LMIYOUXRUPJUGH-HXUWFJFHSA-N 1 3 356.514 2.427 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000373382007 557683342 /nfs/dbraw/zinc/68/33/42/557683342.db2.gz DXXPRYDNGZVZKO-UHFFFAOYSA-N 1 3 366.550 2.192 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC000374628752 557908821 /nfs/dbraw/zinc/90/88/21/557908821.db2.gz ZJQXWELOAFEPAP-IHPCNDPISA-N 1 3 356.514 2.028 20 0 FEADHO C(N1CCC2(C1)CCOCC2)C1(C[N@@H+]2CCC3(C2)CCOCC3)COC1 ZINC000374695449 557918053 /nfs/dbraw/zinc/91/80/53/557918053.db2.gz SUVOKZKRSMWKLF-UHFFFAOYSA-N 1 3 364.530 2.008 20 0 FEADHO C(N1CCC2(C1)CCOCC2)C1(C[N@H+]2CCC3(C2)CCOCC3)COC1 ZINC000374695449 557918054 /nfs/dbraw/zinc/91/80/54/557918054.db2.gz SUVOKZKRSMWKLF-UHFFFAOYSA-N 1 3 364.530 2.008 20 0 FEADHO CC(C)N1CCN(C2CC[NH+](CCCO[C@H]3CCCCO3)CC2)CC1 ZINC000374908730 557949715 /nfs/dbraw/zinc/94/97/15/557949715.db2.gz GPMODRVQWYMSJJ-FQEVSTJZSA-N 1 3 353.551 2.410 20 0 FEADHO COCCC[N@@H+]1CCCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000375715910 558071690 /nfs/dbraw/zinc/07/16/90/558071690.db2.gz FTXPPBGDUUUCKW-UHFFFAOYSA-N 1 3 374.573 2.243 20 0 FEADHO COCCC[N@H+]1CCCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000375715910 558071692 /nfs/dbraw/zinc/07/16/92/558071692.db2.gz FTXPPBGDUUUCKW-UHFFFAOYSA-N 1 3 374.573 2.243 20 0 FEADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000521612665 562180273 /nfs/dbraw/zinc/18/02/73/562180273.db2.gz PDTLGGISWHWRBQ-KNQAVFIVSA-N 1 3 368.525 2.348 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000376577135 558192905 /nfs/dbraw/zinc/19/29/05/558192905.db2.gz AGYNNQQVAPUJTH-AOIWGVFYSA-N 1 3 360.502 2.224 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000376577135 558192906 /nfs/dbraw/zinc/19/29/06/558192906.db2.gz AGYNNQQVAPUJTH-AOIWGVFYSA-N 1 3 360.502 2.224 20 0 FEADHO COCC[C@]1(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC[NH2+]C1 ZINC000376693595 558209468 /nfs/dbraw/zinc/20/94/68/558209468.db2.gz ASKMEJAJQJXZEZ-TZIWHRDSSA-N 1 3 359.514 2.264 20 0 FEADHO Cn1cc(-c2ccc(C[NH2+][C@@H]3CCN(C4CCN(C)CC4)C3)s2)cn1 ZINC000377111268 558268486 /nfs/dbraw/zinc/26/84/86/558268486.db2.gz AEIPUNZYNYXLLF-MRXNPFEDSA-N 1 3 359.543 2.407 20 0 FEADHO CCN(C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000377637253 558382729 /nfs/dbraw/zinc/38/27/29/558382729.db2.gz PPRYXOLYYJNCHR-SFTDATJTSA-N 1 3 372.557 2.306 20 0 FEADHO CCN(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000377637253 558382732 /nfs/dbraw/zinc/38/27/32/558382732.db2.gz PPRYXOLYYJNCHR-SFTDATJTSA-N 1 3 372.557 2.306 20 0 FEADHO CCN(C)[C@H](C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000377637253 558382735 /nfs/dbraw/zinc/38/27/35/558382735.db2.gz PPRYXOLYYJNCHR-SFTDATJTSA-N 1 3 372.557 2.306 20 0 FEADHO [NH3+]C1(C(=O)NC[C@H](c2cccs2)N2CCCC2)Cc2ccccc2C1 ZINC000378208073 558503062 /nfs/dbraw/zinc/50/30/62/558503062.db2.gz FRQILBJOZOOQNM-QGZVFWFLSA-N 1 3 355.507 2.498 20 0 FEADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C3(N)Cc4ccccc4C3)C2)CC1 ZINC000378213211 558503637 /nfs/dbraw/zinc/50/36/37/558503637.db2.gz YNIRVAVJOYEQMY-GOSISDBHSA-N 1 3 355.526 2.453 20 0 FEADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378223095 558505652 /nfs/dbraw/zinc/50/56/52/558505652.db2.gz GQUOZDXODSJRDC-OAQYLSRUSA-N 1 3 370.541 2.189 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)ccc1CN(C)C ZINC000411247483 558860008 /nfs/dbraw/zinc/86/00/08/558860008.db2.gz VALHEJGCGGYWBG-UHFFFAOYSA-N 1 3 374.529 2.376 20 0 FEADHO Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)ccc1CN(C)C ZINC000411247483 558860009 /nfs/dbraw/zinc/86/00/09/558860009.db2.gz VALHEJGCGGYWBG-UHFFFAOYSA-N 1 3 374.529 2.376 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccc(C)o1 ZINC000525808486 562255629 /nfs/dbraw/zinc/25/56/29/562255629.db2.gz UPSLVKRTYGRIMO-KRWDZBQOSA-N 1 3 350.507 2.188 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccc(C)o1 ZINC000525808486 562255630 /nfs/dbraw/zinc/25/56/30/562255630.db2.gz UPSLVKRTYGRIMO-KRWDZBQOSA-N 1 3 350.507 2.188 20 0 FEADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412298891 559026018 /nfs/dbraw/zinc/02/60/18/559026018.db2.gz GSNJRZLWXYNVOF-IAGOWNOFSA-N 1 3 353.576 2.441 20 0 FEADHO CCN1CC[C@@H](NC(=O)N[C@H](CC[N@H+](C)CCOC)c2ccccc2)C1 ZINC000413254673 559092514 /nfs/dbraw/zinc/09/25/14/559092514.db2.gz YYFKIDKSRJUGOL-RTBURBONSA-N 1 3 362.518 2.089 20 0 FEADHO CCN1CC[C@@H](NC(=O)N[C@H](CC[N@@H+](C)CCOC)c2ccccc2)C1 ZINC000413254673 559092515 /nfs/dbraw/zinc/09/25/15/559092515.db2.gz YYFKIDKSRJUGOL-RTBURBONSA-N 1 3 362.518 2.089 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)cc1)C1CC1 ZINC000413795999 559130862 /nfs/dbraw/zinc/13/08/62/559130862.db2.gz CIOSCKFMOIVOGH-LJQANCHMSA-N 1 3 359.514 2.248 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)cc1)C1CC1 ZINC000413795999 559130863 /nfs/dbraw/zinc/13/08/63/559130863.db2.gz CIOSCKFMOIVOGH-LJQANCHMSA-N 1 3 359.514 2.248 20 0 FEADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@H]1CCCOC1 ZINC000414335693 559157093 /nfs/dbraw/zinc/15/70/93/559157093.db2.gz HPZPMWVSIQFAGH-JXFKEZNVSA-N 1 3 359.514 2.289 20 0 FEADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@]1(C)CCCO1 ZINC000414347641 559157816 /nfs/dbraw/zinc/15/78/16/559157816.db2.gz WTLCVFRIVAAQPK-KKSFZXQISA-N 1 3 359.514 2.431 20 0 FEADHO CN1CCC(C[NH2+]Cc2cccc3cccnc32)(N2CCOCC2)CC1 ZINC000414479024 559167826 /nfs/dbraw/zinc/16/78/26/559167826.db2.gz GRCPEPOSRHEOOD-UHFFFAOYSA-N 1 3 354.498 2.121 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)CC1 ZINC000414498289 559168968 /nfs/dbraw/zinc/16/89/68/559168968.db2.gz MSHQGNAXOXTSHX-IBGZPJMESA-N 1 3 358.530 2.129 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C(=O)N(C)C)C2)CC1 ZINC000414498289 559168969 /nfs/dbraw/zinc/16/89/69/559168969.db2.gz MSHQGNAXOXTSHX-IBGZPJMESA-N 1 3 358.530 2.129 20 0 FEADHO CC1CCC([N@H+](C[C@@H]2CCCO2)C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414693073 559180062 /nfs/dbraw/zinc/18/00/62/559180062.db2.gz DIZLQZJWPGYXMW-CHPDAQJUSA-N 1 3 351.535 2.243 20 0 FEADHO CC1CCC([N@@H+](C[C@@H]2CCCO2)C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414693073 559180063 /nfs/dbraw/zinc/18/00/63/559180063.db2.gz DIZLQZJWPGYXMW-CHPDAQJUSA-N 1 3 351.535 2.243 20 0 FEADHO [NH3+]Cc1ccc(NC(=O)C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000414710719 559181397 /nfs/dbraw/zinc/18/13/97/559181397.db2.gz SKPPKZBKHRHMID-LJQANCHMSA-N 1 3 366.465 2.037 20 0 FEADHO [NH3+]Cc1ccc(NC(=O)C(=O)N2CCCN(CC3CCCCC3)CC2)cc1 ZINC000414743283 559184059 /nfs/dbraw/zinc/18/40/59/559184059.db2.gz UUEJMTUJONGGSW-UHFFFAOYSA-N 1 3 372.513 2.198 20 0 FEADHO COc1cc(OC)cc(N2CC[C@H](N(C)C[C@@H]3CC[NH2+][C@H](C)C3)C2=O)c1 ZINC000414756386 559185399 /nfs/dbraw/zinc/18/53/99/559185399.db2.gz QQBTWXAGRVPDKC-CLCXKQKWSA-N 1 3 361.486 2.129 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3C[C@@H](C[NH3+])C[C@H]3C)c(C)c2)CC1 ZINC000414757001 559185633 /nfs/dbraw/zinc/18/56/33/559185633.db2.gz WPCHLTNGUPPOLX-IAGOWNOFSA-N 1 3 359.518 2.338 20 0 FEADHO C[C@H]1C[C@H](CN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414761376 559185883 /nfs/dbraw/zinc/18/58/83/559185883.db2.gz SWDUULOBVOREEE-JKSUJKDBSA-N 1 3 364.921 2.284 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)C1 ZINC000414760340 559185911 /nfs/dbraw/zinc/18/59/11/559185911.db2.gz YGVBBBJARZFSCU-GJZGRUSLSA-N 1 3 374.460 2.344 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)C1 ZINC000414760340 559185912 /nfs/dbraw/zinc/18/59/12/559185912.db2.gz YGVBBBJARZFSCU-GJZGRUSLSA-N 1 3 374.460 2.344 20 0 FEADHO C[C@H]1C[C@@H](CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC[NH2+]1 ZINC000414762687 559186046 /nfs/dbraw/zinc/18/60/46/559186046.db2.gz WLBOQFKBCYBFHG-RYUDHWBXSA-N 1 3 363.453 2.457 20 0 FEADHO COCCOc1cc2c(cc1CN1CCC[C@H]([C@H]3CC[NH2+]C3)C1)OCO2 ZINC000414785271 559187370 /nfs/dbraw/zinc/18/73/70/559187370.db2.gz SGGIZVRXXLBMJG-HOTGVXAUSA-N 1 3 362.470 2.262 20 0 FEADHO c1ccc2nc(N3CCCCC3)c(CNCCN3CC[NH2+]CC3)cc2c1 ZINC000414867015 559191827 /nfs/dbraw/zinc/19/18/27/559191827.db2.gz NSYOGQWORCTIHY-UHFFFAOYSA-N 1 3 353.514 2.220 20 0 FEADHO Cc1cccc(-c2n[nH]cc2CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414974298 559198104 /nfs/dbraw/zinc/19/81/04/559198104.db2.gz LGVIWGSFZBEPEF-MRXNPFEDSA-N 1 3 367.419 2.311 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415073476 559203953 /nfs/dbraw/zinc/20/39/53/559203953.db2.gz YOGWUKKRRNAGHX-MSOLQXFVSA-N 1 3 374.554 2.351 20 0 FEADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415085469 559204626 /nfs/dbraw/zinc/20/46/26/559204626.db2.gz SMRRTOOJJSFNKW-ZFWWWQNUSA-N 1 3 357.420 2.423 20 0 FEADHO CCOC1CC(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)(N2CCOCC2)C1 ZINC000415103797 559205522 /nfs/dbraw/zinc/20/55/22/559205522.db2.gz KBHUDOWHXQSHME-NUTQKKSESA-N 1 3 373.541 2.339 20 0 FEADHO C[C@H](Cc1ccccc1Br)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415125697 559206681 /nfs/dbraw/zinc/20/66/81/559206681.db2.gz SQBQTDMAESYMKY-ZIAGYGMSSA-N 1 3 368.319 2.167 20 0 FEADHO O=C1N[C@@H]2CN(CCSCc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415132943 559207329 /nfs/dbraw/zinc/20/73/29/559207329.db2.gz BLCKJEGJDNAQRR-RTBURBONSA-N 1 3 374.554 2.140 20 0 FEADHO C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H](c1ccccc1)N(C)C ZINC000415162061 559210633 /nfs/dbraw/zinc/21/06/33/559210633.db2.gz VTJJQUUZJBNUAO-AUUYWEPGSA-N 1 3 366.465 2.036 20 0 FEADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC000415164520 559210714 /nfs/dbraw/zinc/21/07/14/559210714.db2.gz YOENKJHMGRDXIS-HNAYVOBHSA-N 1 3 368.481 2.152 20 0 FEADHO Cc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)ccc1CN(C)C ZINC000415433099 559236082 /nfs/dbraw/zinc/23/60/82/559236082.db2.gz WSVZXODNHOANMR-SFHVURJKSA-N 1 3 360.502 2.019 20 0 FEADHO C[N@H+](Cc1ccccc1NC(=O)C(=O)N[C@H](CN)C1CC1)C1CCCCC1 ZINC000415446917 559237974 /nfs/dbraw/zinc/23/79/74/559237974.db2.gz GSTHOEIVVFHBBW-LJQANCHMSA-N 1 3 372.513 2.243 20 0 FEADHO C[N@@H+](Cc1ccccc1NC(=O)C(=O)N[C@H](CN)C1CC1)C1CCCCC1 ZINC000415446917 559237975 /nfs/dbraw/zinc/23/79/75/559237975.db2.gz GSTHOEIVVFHBBW-LJQANCHMSA-N 1 3 372.513 2.243 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000415490075 559242720 /nfs/dbraw/zinc/24/27/20/559242720.db2.gz NFFPYJYSKMZETL-OAHLLOKOSA-N 1 3 368.481 2.331 20 0 FEADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Nc2ccnn2CCN(C)C)cc1 ZINC000415751479 559267739 /nfs/dbraw/zinc/26/77/39/559267739.db2.gz AHNCHYDXUXWOCX-KRWDZBQOSA-N 1 3 358.490 2.390 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)NCc2ccnc(OCCN(C)C)c2)c1 ZINC000415907916 559282139 /nfs/dbraw/zinc/28/21/39/559282139.db2.gz BZPWALSNOXPZBU-UHFFFAOYSA-N 1 3 371.485 2.453 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1CC1 ZINC000416036139 559290221 /nfs/dbraw/zinc/29/02/21/559290221.db2.gz XNPNAWGWHPFDJE-CVEARBPZSA-N 1 3 372.435 2.476 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416224878 559299489 /nfs/dbraw/zinc/29/94/89/559299489.db2.gz RIGUCCATYJLJTC-GOSISDBHSA-N 1 3 371.525 2.147 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416224878 559299490 /nfs/dbraw/zinc/29/94/90/559299490.db2.gz RIGUCCATYJLJTC-GOSISDBHSA-N 1 3 371.525 2.147 20 0 FEADHO COc1ccc([C@H](CNC(=O)NCCC2=CC[NH2+]CC2)N2CCCC2)cc1 ZINC000416808743 559333400 /nfs/dbraw/zinc/33/34/00/559333400.db2.gz ABDQBAYJISXZHI-FQEVSTJZSA-N 1 3 372.513 2.441 20 0 FEADHO CN(C)[C@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)Cc1ccccc1 ZINC000416828399 559334177 /nfs/dbraw/zinc/33/41/77/559334177.db2.gz DTKHIXGEQBWDMP-PCCBWWKXSA-N 1 3 366.509 2.214 20 0 FEADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000416840271 559334595 /nfs/dbraw/zinc/33/45/95/559334595.db2.gz KUZWUBPGWYMADV-LJQANCHMSA-N 1 3 356.514 2.436 20 0 FEADHO O=C(NCCC[NH2+]Cc1cccnc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000416850514 559335052 /nfs/dbraw/zinc/33/50/52/559335052.db2.gz ZRZGFXAUKFMIFV-FQEVSTJZSA-N 1 3 367.497 2.135 20 0 FEADHO CN(C)[C@@H](CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000416851801 559335272 /nfs/dbraw/zinc/33/52/72/559335272.db2.gz RMVHQNPHKDCDMY-VQTJNVASSA-N 1 3 358.530 2.190 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416917624 559338177 /nfs/dbraw/zinc/33/81/77/559338177.db2.gz IBKZQAXHKQQTLK-APWZRJJASA-N 1 3 362.518 2.377 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000416997425 559342956 /nfs/dbraw/zinc/34/29/56/559342956.db2.gz ADGAMFDIQCBITM-ZIAGYGMSSA-N 1 3 360.474 2.427 20 0 FEADHO CC[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCc2ccccc2C1 ZINC000417002142 559343220 /nfs/dbraw/zinc/34/32/20/559343220.db2.gz AFMKSTTZBPPHJC-XUVXKRRUSA-N 1 3 356.514 2.074 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CNCCC1(F)F)Cc1ccccc1 ZINC000417013188 559343794 /nfs/dbraw/zinc/34/37/94/559343794.db2.gz YIUHUWDUFCHBES-DLBZAZTESA-N 1 3 368.472 2.236 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCc2ccccc2C1 ZINC000417019836 559344249 /nfs/dbraw/zinc/34/42/49/559344249.db2.gz RIMLSABMEXBTKL-SVFBPWRDSA-N 1 3 370.541 2.464 20 0 FEADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417023910 559344417 /nfs/dbraw/zinc/34/44/17/559344417.db2.gz MGOMARVVPDRYEC-MISYRCLQSA-N 1 3 356.514 2.122 20 0 FEADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCCN1CCc2ccccc2C1 ZINC000417042937 559345495 /nfs/dbraw/zinc/34/54/95/559345495.db2.gz WVCAVEACDVAULI-FWYSVENZSA-N 1 3 356.514 2.250 20 0 FEADHO CCCN(C(=O)NCC1(N2CCSCC2)CCCC1)[C@@H]1CC[NH2+]C1 ZINC000417115967 559348579 /nfs/dbraw/zinc/34/85/79/559348579.db2.gz PMIFWQVONYJXGH-MRXNPFEDSA-N 1 3 354.564 2.132 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000417336195 559358263 /nfs/dbraw/zinc/35/82/63/559358263.db2.gz VBWVWLSMYKZHLM-GOSISDBHSA-N 1 3 360.502 2.040 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3C[C@@H](C[NH3+])C[C@H]3C)CC2)cc1 ZINC000417338104 559358295 /nfs/dbraw/zinc/35/82/95/559358295.db2.gz YBKMAVJWIPIOCV-VQIMIIECSA-N 1 3 374.529 2.286 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3CC[C@H]([NH3+])[C@H](C)C3)CC2)cc1 ZINC000417336400 559358326 /nfs/dbraw/zinc/35/83/26/559358326.db2.gz VEJLQOLUBKURAE-UZLBHIALSA-N 1 3 374.529 2.286 20 0 FEADHO O=C(NCCC[NH2+]C1CC1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000417356158 559358991 /nfs/dbraw/zinc/35/89/91/559358991.db2.gz BUMSORBYOVNSON-OAHLLOKOSA-N 1 3 350.532 2.401 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417363487 559359242 /nfs/dbraw/zinc/35/92/42/559359242.db2.gz LZXAQLKMFDZLMX-SFHVURJKSA-N 1 3 362.518 2.334 20 0 FEADHO O=C(NCC1CCN(Cc2cccs2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417383543 559360158 /nfs/dbraw/zinc/36/01/58/559360158.db2.gz PDJPCFUVBXPFFG-IBGZPJMESA-N 1 3 362.543 2.355 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000417512075 559365247 /nfs/dbraw/zinc/36/52/47/559365247.db2.gz HAUASIOQWNPIFR-NMLBUPMWSA-N 1 3 374.529 2.075 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000417517631 559365767 /nfs/dbraw/zinc/36/57/67/559365767.db2.gz QXTRZUHNVNXZSQ-WDSOQIARSA-N 1 3 362.518 2.075 20 0 FEADHO CCC(CC)(CNC(=O)NC[C@H]1CNCCO1)[NH2+][C@@H](C)c1ccccc1 ZINC000417707285 559373502 /nfs/dbraw/zinc/37/35/02/559373502.db2.gz QFQPLLPQHNMNQY-FUHWJXTLSA-N 1 3 362.518 2.184 20 0 FEADHO O=C(NCCCNCc1cccnc1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417801365 559376866 /nfs/dbraw/zinc/37/68/66/559376866.db2.gz VUMLCXNMEIDUOQ-LJQANCHMSA-N 1 3 359.518 2.125 20 0 FEADHO O=C(NCCCNCc1cccnc1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000417801365 559376867 /nfs/dbraw/zinc/37/68/67/559376867.db2.gz VUMLCXNMEIDUOQ-LJQANCHMSA-N 1 3 359.518 2.125 20 0 FEADHO CN(C(=O)NCCCOC1CCN(Cc2ccccc2)CC1)C1CC([NH3+])C1 ZINC000417828905 559378079 /nfs/dbraw/zinc/37/80/79/559378079.db2.gz QPFPNKWAAFDAPB-UHFFFAOYSA-N 1 3 374.529 2.189 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CN1Cc1ccccc1 ZINC000417873528 559380208 /nfs/dbraw/zinc/38/02/08/559380208.db2.gz LVAOWLZUPQFTOB-LMCOJAPRSA-N 1 3 356.514 2.290 20 0 FEADHO CCCN(C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CC[NH2+]C1 ZINC000418072123 559389049 /nfs/dbraw/zinc/38/90/49/559389049.db2.gz JWEHXVRPCUPDPI-PMACEKPBSA-N 1 3 374.529 2.061 20 0 FEADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)C1CC1 ZINC000418149097 559391890 /nfs/dbraw/zinc/39/18/90/559391890.db2.gz RQICXDWBRBMNDG-XUVXKRRUSA-N 1 3 356.514 2.290 20 0 FEADHO CC[C@H](C)N[C@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)c1ccco1 ZINC000418167794 559392766 /nfs/dbraw/zinc/39/27/66/559392766.db2.gz NHZAFIXJSGKTRN-DOTOQJQBSA-N 1 3 366.506 2.248 20 0 FEADHO C[C@H]1[C@H](NC(=O)N2CCC(OCCC[NH3+])CC2)CCN1Cc1ccccc1 ZINC000418184807 559393270 /nfs/dbraw/zinc/39/32/70/559393270.db2.gz ACWOMPCEXAPNBL-FXAWDEMLSA-N 1 3 374.529 2.189 20 0 FEADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC000418202513 559393925 /nfs/dbraw/zinc/39/39/25/559393925.db2.gz IYNIQWPWLWMRDD-MJGOQNOKSA-N 1 3 362.518 2.470 20 0 FEADHO C[NH2+]CCCNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418274840 559396149 /nfs/dbraw/zinc/39/61/49/559396149.db2.gz BQYIJEWBKYLNDL-UHFFFAOYSA-N 1 3 371.323 2.132 20 0 FEADHO O=C(NC[C@@H]1CCC[NH2+]C1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418309299 559397101 /nfs/dbraw/zinc/39/71/01/559397101.db2.gz CITVRLWEASAURB-CTNGQTDRSA-N 1 3 356.514 2.294 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418322038 559397403 /nfs/dbraw/zinc/39/74/03/559397403.db2.gz SKYHGVMFQVIPIP-RBUKOAKNSA-N 1 3 359.518 2.077 20 0 FEADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000418335508 559398004 /nfs/dbraw/zinc/39/80/04/559398004.db2.gz HJYTUSVTBLMXJD-NVXWUHKLSA-N 1 3 350.482 2.287 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC1CCC([NH3+])CC1 ZINC000418382437 559399729 /nfs/dbraw/zinc/39/97/29/559399729.db2.gz HTIMZQYMYMXQQD-UHFFFAOYSA-N 1 3 354.445 2.308 20 0 FEADHO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000418405140 559400427 /nfs/dbraw/zinc/40/04/27/559400427.db2.gz AVXRKBUKMNYGIN-JFROBXPVSA-N 1 3 368.525 2.433 20 0 FEADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1 ZINC000418484604 559403446 /nfs/dbraw/zinc/40/34/46/559403446.db2.gz GQKXNNFCGCSXTH-CVEARBPZSA-N 1 3 360.502 2.101 20 0 FEADHO CCN1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000418558443 559406221 /nfs/dbraw/zinc/40/62/21/559406221.db2.gz BSGYEELBFTYQKH-CRAIPNDOSA-N 1 3 366.456 2.148 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418596394 559407268 /nfs/dbraw/zinc/40/72/68/559407268.db2.gz OXNWRXNXFSBISE-CXAGYDPISA-N 1 3 354.445 2.036 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418605255 559407549 /nfs/dbraw/zinc/40/75/49/559407549.db2.gz YMHHQPYQGGJEMJ-LMCOJAPRSA-N 1 3 356.514 2.148 20 0 FEADHO C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@@H]3NCCc4ccccc43)C2)CC1 ZINC000418648407 559409307 /nfs/dbraw/zinc/40/93/07/559409307.db2.gz ZICANHXTKOMKFL-ICSRJNTNSA-N 1 3 356.514 2.247 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000418745366 559413628 /nfs/dbraw/zinc/41/36/28/559413628.db2.gz GQIFZFMBABYOQJ-PMPSAXMXSA-N 1 3 358.477 2.280 20 0 FEADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000418745366 559413629 /nfs/dbraw/zinc/41/36/29/559413629.db2.gz GQIFZFMBABYOQJ-PMPSAXMXSA-N 1 3 358.477 2.280 20 0 FEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000420313083 559479778 /nfs/dbraw/zinc/47/97/78/559479778.db2.gz ILZRHCKQJNAOGW-PIKOESSRSA-N 1 3 361.530 2.311 20 0 FEADHO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335963 559481394 /nfs/dbraw/zinc/48/13/94/559481394.db2.gz IHAIPHVXVBEUSO-BZUAXINKSA-N 1 3 359.470 2.106 20 0 FEADHO CCCOc1cccc(CNC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420334210 559481517 /nfs/dbraw/zinc/48/15/17/559481517.db2.gz UACLJSURCJCJDJ-MOPGFXCFSA-N 1 3 359.514 2.413 20 0 FEADHO CCOc1ccc(CN(C)C(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420338969 559481698 /nfs/dbraw/zinc/48/16/98/559481698.db2.gz LCPPLSOJVQXZQZ-RTBURBONSA-N 1 3 359.514 2.365 20 0 FEADHO O=C1N[C@@H]2CN(C[C@@H]3CCCC(F)(F)C3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420401853 559485782 /nfs/dbraw/zinc/48/57/82/559485782.db2.gz LHTVUXXZCHWJJE-BMFZPTHFSA-N 1 3 356.461 2.032 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N(C)[C@@H](C)CC(C)C)CC2)CC1 ZINC000420972871 559515801 /nfs/dbraw/zinc/51/58/01/559515801.db2.gz BKQFZPRTVMYWAI-IBGZPJMESA-N 1 3 366.594 2.371 20 0 FEADHO CCN1CCC([N@H+]2CCCN(CC(=O)N(C)[C@@H](C)CC(C)C)CC2)CC1 ZINC000420972871 559515802 /nfs/dbraw/zinc/51/58/02/559515802.db2.gz BKQFZPRTVMYWAI-IBGZPJMESA-N 1 3 366.594 2.371 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N(C)C[C@H]3CCC[N@@H+]3C)c2)CC1 ZINC000421086316 559523489 /nfs/dbraw/zinc/52/34/89/559523489.db2.gz ARIGIFZNKDPEOB-LJQANCHMSA-N 1 3 359.518 2.386 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N(C)C[C@H]3CCC[N@H+]3C)c2)CC1 ZINC000421086316 559523490 /nfs/dbraw/zinc/52/34/90/559523490.db2.gz ARIGIFZNKDPEOB-LJQANCHMSA-N 1 3 359.518 2.386 20 0 FEADHO COc1cc(NC(=O)N(C)C[C@H]2CCCN2C)ccc1OCC[NH+](C)C ZINC000421160051 559527634 /nfs/dbraw/zinc/52/76/34/559527634.db2.gz QTLCFGLIAJNTBJ-MRXNPFEDSA-N 1 3 364.490 2.194 20 0 FEADHO COc1cc2[nH]c(CCC[NH2+][C@@H]3CCOC[C@H]3[C@H](C)N)cc2c(OC)c1 ZINC000422869121 559609039 /nfs/dbraw/zinc/60/90/39/559609039.db2.gz WDZKHHBAFABSBJ-DOPJRALCSA-N 1 3 361.486 2.460 20 0 FEADHO CN(C)CCNC(=O)c1cccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422901754 559610605 /nfs/dbraw/zinc/61/06/05/559610605.db2.gz CCZSPCCENNKJMU-WOJBJXKFSA-N 1 3 352.482 2.212 20 0 FEADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)COc1ccc2c(c1)OCO2 ZINC000422903266 559610624 /nfs/dbraw/zinc/61/06/24/559610624.db2.gz VWUNNMJAMVFVJI-BZZMCLGOSA-N 1 3 362.470 2.055 20 0 FEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCN1c2ccccc2OCC1=O ZINC000422923930 559611574 /nfs/dbraw/zinc/61/15/74/559611574.db2.gz SYWACVRPTMYQKB-CQSZACIVSA-N 1 3 354.454 2.315 20 0 FEADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000422940295 559612219 /nfs/dbraw/zinc/61/22/19/559612219.db2.gz GVKLYNWVWKXKOC-MJGOQNOKSA-N 1 3 365.543 2.194 20 0 FEADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000422977392 559613743 /nfs/dbraw/zinc/61/37/43/559613743.db2.gz KABYCVQUACWFAZ-BWAGFHJFSA-N 1 3 353.510 2.172 20 0 FEADHO CCOC(=O)C1([C@H](C)N[C@H](CN(C)C)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423102527 559619073 /nfs/dbraw/zinc/61/90/73/559619073.db2.gz FKNHXBIHUDZWAH-MAUKXSAKSA-N 1 3 365.493 2.339 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000423125744 559620187 /nfs/dbraw/zinc/62/01/87/559620187.db2.gz ABTPREHTLQYRFR-RLFYNMQTSA-N 1 3 351.466 2.221 20 0 FEADHO Brc1ccc2c(c1)OCCC[C@H]2NCCN1CC[NH2+]CC1 ZINC000423209624 559622740 /nfs/dbraw/zinc/62/27/40/559622740.db2.gz VIPZBIHRPNQZPF-OAHLLOKOSA-N 1 3 354.292 2.158 20 0 FEADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423212056 559622982 /nfs/dbraw/zinc/62/29/82/559622982.db2.gz ZMNWFFIGWKWSCY-NSHDSACASA-N 1 3 365.371 2.445 20 0 FEADHO CN(C)CCOc1ccc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000423331113 559625698 /nfs/dbraw/zinc/62/56/98/559625698.db2.gz URKQLHWKYQFGGY-QGZVFWFLSA-N 1 3 357.458 2.000 20 0 FEADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423360234 559626548 /nfs/dbraw/zinc/62/65/48/559626548.db2.gz QCHBTFRNCZRHMM-CQSZACIVSA-N 1 3 359.495 2.391 20 0 FEADHO CCN(C(=O)COC1CC[NH2+]CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000423359730 559626628 /nfs/dbraw/zinc/62/66/28/559626628.db2.gz VPEFRYPEEWTJTI-HKUYNNGSSA-N 1 3 359.514 2.439 20 0 FEADHO C[NH2+]CCc1ccccc1C(=O)NCc1ccccc1OCCN(C)C ZINC000423375211 559627216 /nfs/dbraw/zinc/62/72/16/559627216.db2.gz XPRGVELSBNREEC-UHFFFAOYSA-N 1 3 355.482 2.319 20 0 FEADHO C[C@@H]1C[C@@H](N(C)C(=O)COC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000423388683 559627532 /nfs/dbraw/zinc/62/75/32/559627532.db2.gz KVGDIXZSQGMEPL-MJGOQNOKSA-N 1 3 359.514 2.267 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423759651 559638617 /nfs/dbraw/zinc/63/86/17/559638617.db2.gz LZVWZRCWFZIZJB-IBGZPJMESA-N 1 3 373.476 2.151 20 0 FEADHO NC[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000423785908 559639240 /nfs/dbraw/zinc/63/92/40/559639240.db2.gz OWXSYHDPSDXPSJ-IBGZPJMESA-N 1 3 356.445 2.296 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@H](C[NH3+])C3CCCC3)CC2)c1 ZINC000423954425 559647938 /nfs/dbraw/zinc/64/79/38/559647938.db2.gz KBZFTFHYDDSHPM-HXUWFJFHSA-N 1 3 358.530 2.141 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000424444631 559665401 /nfs/dbraw/zinc/66/54/01/559665401.db2.gz DBBXWXIIKIZRQB-WBVHZDCISA-N 1 3 372.513 2.161 20 0 FEADHO Cc1cc(CN)cc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000424444631 559665402 /nfs/dbraw/zinc/66/54/02/559665402.db2.gz DBBXWXIIKIZRQB-WBVHZDCISA-N 1 3 372.513 2.161 20 0 FEADHO CN1C[C@@H]2CCCN(C(=O)NCc3ccc(OCCC[NH+](C)C)cc3)[C@@H]2C1 ZINC000425664801 559713754 /nfs/dbraw/zinc/71/37/54/559713754.db2.gz QKXRJJYNRSQPGW-AZUAARDMSA-N 1 3 374.529 2.253 20 0 FEADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)C(=O)c1ccc(Cl)s1 ZINC000429786153 559805779 /nfs/dbraw/zinc/80/57/79/559805779.db2.gz MWYBPVSJGOTXHO-UHFFFAOYSA-N 1 3 359.923 2.316 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000430601908 559824462 /nfs/dbraw/zinc/82/44/62/559824462.db2.gz FFIXOOFZTLBBAZ-FPOVZHCZSA-N 1 3 372.557 2.231 20 0 FEADHO COc1cc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H](C)N)cc(OC)c1OC ZINC000430633056 559825414 /nfs/dbraw/zinc/82/54/14/559825414.db2.gz OXWCMINREKHRIQ-UKRRQHHQSA-N 1 3 365.474 2.243 20 0 FEADHO COc1cc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H](C)N)cc(OC)c1OC ZINC000430633056 559825415 /nfs/dbraw/zinc/82/54/15/559825415.db2.gz OXWCMINREKHRIQ-UKRRQHHQSA-N 1 3 365.474 2.243 20 0 FEADHO O=C(CNC[C@H]1CCCO1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000430704645 559826694 /nfs/dbraw/zinc/82/66/94/559826694.db2.gz IVFRBQAZSXNPLB-IRLDBZIGSA-N 1 3 371.525 2.270 20 0 FEADHO O=C(CNC[C@H]1CCCO1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000430704645 559826695 /nfs/dbraw/zinc/82/66/95/559826695.db2.gz IVFRBQAZSXNPLB-IRLDBZIGSA-N 1 3 371.525 2.270 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@](C)(C(=O)NC)C2)CC1 ZINC000430774242 559827959 /nfs/dbraw/zinc/82/79/59/559827959.db2.gz ZVYCEQNHMUMKJD-NRFANRHFSA-N 1 3 358.530 2.177 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@](C)(C(=O)NC)C2)CC1 ZINC000430774242 559827960 /nfs/dbraw/zinc/82/79/60/559827960.db2.gz ZVYCEQNHMUMKJD-NRFANRHFSA-N 1 3 358.530 2.177 20 0 FEADHO COCC[C@]1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]C1 ZINC000430910551 559830057 /nfs/dbraw/zinc/83/00/57/559830057.db2.gz VOUXEKJAQRMDFA-HFSMHLIXSA-N 1 3 359.514 2.172 20 0 FEADHO COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC3(CC[NH2+]C3)CC2)cc1F ZINC000431022996 559832634 /nfs/dbraw/zinc/83/26/34/559832634.db2.gz GJWNHFXRLPFBGY-OAHLLOKOSA-N 1 3 363.477 2.257 20 0 FEADHO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC2(CC[NH2+]C2)CC1 ZINC000431042640 559832984 /nfs/dbraw/zinc/83/29/84/559832984.db2.gz JQKCOVMANGWFDI-MRXNPFEDSA-N 1 3 354.498 2.291 20 0 FEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433325593 559877016 /nfs/dbraw/zinc/87/70/16/559877016.db2.gz HHZSSEWZPITSIE-ZSYWTGECSA-N 1 3 368.566 2.153 20 0 FEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433325593 559877017 /nfs/dbraw/zinc/87/70/17/559877017.db2.gz HHZSSEWZPITSIE-ZSYWTGECSA-N 1 3 368.566 2.153 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433407559 559880284 /nfs/dbraw/zinc/88/02/84/559880284.db2.gz XYBYVDKVSQBHNQ-RTBURBONSA-N 1 3 368.566 2.297 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433407559 559880285 /nfs/dbraw/zinc/88/02/85/559880285.db2.gz XYBYVDKVSQBHNQ-RTBURBONSA-N 1 3 368.566 2.297 20 0 FEADHO CCC[NH+]1CCC(N(C)C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000433463545 559882116 /nfs/dbraw/zinc/88/21/16/559882116.db2.gz ROIZUYCOADVXPA-QGZVFWFLSA-N 1 3 354.539 2.003 20 0 FEADHO Cn1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000435382137 559921815 /nfs/dbraw/zinc/92/18/15/559921815.db2.gz ZSTBVAGQTFDTFW-RYQLBKOJSA-N 1 3 368.481 2.418 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000438869236 559984672 /nfs/dbraw/zinc/98/46/72/559984672.db2.gz RMGNEIQBZKNNGD-AEFFLSMTSA-N 1 3 356.580 2.233 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000438869236 559984673 /nfs/dbraw/zinc/98/46/73/559984673.db2.gz RMGNEIQBZKNNGD-AEFFLSMTSA-N 1 3 356.580 2.233 20 0 FEADHO CCC[C@]1(CO)CCCN1CC1(C[N@@H+]2CCC[C@]2(CO)CCC)COC1 ZINC000444768206 560120314 /nfs/dbraw/zinc/12/03/14/560120314.db2.gz SQIINKAVTQBTLD-OYRHEFFESA-N 1 3 368.562 2.257 20 0 FEADHO CCC[C@]1(CO)CCCN1CC1(C[N@H+]2CCC[C@]2(CO)CCC)COC1 ZINC000444768206 560120315 /nfs/dbraw/zinc/12/03/15/560120315.db2.gz SQIINKAVTQBTLD-OYRHEFFESA-N 1 3 368.562 2.257 20 0 FEADHO CCC[C@]1(CO)CCC[N@H+]1CC1(CN2CCC[C@]2(CO)CCC)COC1 ZINC000444768206 560120316 /nfs/dbraw/zinc/12/03/16/560120316.db2.gz SQIINKAVTQBTLD-OYRHEFFESA-N 1 3 368.562 2.257 20 0 FEADHO CCC[C@]1(CO)CCC[N@@H+]1CC1(CN2CCC[C@]2(CO)CCC)COC1 ZINC000444768206 560120317 /nfs/dbraw/zinc/12/03/17/560120317.db2.gz SQIINKAVTQBTLD-OYRHEFFESA-N 1 3 368.562 2.257 20 0 FEADHO C[C@H]1CN(CC2CCN(C(=O)NCC3([NH+](C)C)CCC3)CC2)C[C@H](C)O1 ZINC000445858317 560135683 /nfs/dbraw/zinc/13/56/83/560135683.db2.gz VMRPZFWLNQTBTF-IRXDYDNUSA-N 1 3 366.550 2.002 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000446137527 560140579 /nfs/dbraw/zinc/14/05/79/560140579.db2.gz MAQWBUBVTDZUKC-UHFFFAOYSA-N 1 3 354.539 2.002 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000448217759 560180568 /nfs/dbraw/zinc/18/05/68/560180568.db2.gz PGCODKYBQWGWHQ-FUHWJXTLSA-N 1 3 356.580 2.091 20 0 FEADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000448217759 560180570 /nfs/dbraw/zinc/18/05/70/560180570.db2.gz PGCODKYBQWGWHQ-FUHWJXTLSA-N 1 3 356.580 2.091 20 0 FEADHO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000449462202 560231202 /nfs/dbraw/zinc/23/12/02/560231202.db2.gz UVNFVGLLJOVFJI-GHTZIAJQSA-N 1 3 361.530 2.358 20 0 FEADHO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(F)c(CN4C[C@@H]5CC[C@H](O)[C@@H]5C4)c3)C[C@H]12 ZINC000450707864 560271027 /nfs/dbraw/zinc/27/10/27/560271027.db2.gz BTQCYMLZSYJUFP-DBWYYUMDSA-N 1 3 374.500 2.231 20 0 FEADHO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(F)c(CN4C[C@@H]5CC[C@H](O)[C@@H]5C4)c3)C[C@H]12 ZINC000450707864 560271028 /nfs/dbraw/zinc/27/10/28/560271028.db2.gz BTQCYMLZSYJUFP-DBWYYUMDSA-N 1 3 374.500 2.231 20 0 FEADHO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000451257262 560296269 /nfs/dbraw/zinc/29/62/69/560296269.db2.gz PYOGPVUARKDDHG-RTWAWAEBSA-N 1 3 373.541 2.122 20 0 FEADHO CC[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000451257262 560296270 /nfs/dbraw/zinc/29/62/70/560296270.db2.gz PYOGPVUARKDDHG-RTWAWAEBSA-N 1 3 373.541 2.122 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@H]2COCC2(C)C)CC1 ZINC000451805468 560329669 /nfs/dbraw/zinc/32/96/69/560329669.db2.gz BGOTZORYIHAKDN-IBGZPJMESA-N 1 3 359.514 2.044 20 0 FEADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1)C1CC1 ZINC000452343012 560358640 /nfs/dbraw/zinc/35/86/40/560358640.db2.gz ALNKQCZAYQIJKQ-HXUWFJFHSA-N 1 3 359.514 2.248 20 0 FEADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1)C1CC1 ZINC000452343012 560358641 /nfs/dbraw/zinc/35/86/41/560358641.db2.gz ALNKQCZAYQIJKQ-HXUWFJFHSA-N 1 3 359.514 2.248 20 0 FEADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000452347000 560359095 /nfs/dbraw/zinc/35/90/95/560359095.db2.gz YIFMOLTXMDKNKZ-PKOBYXMFSA-N 1 3 351.535 2.257 20 0 FEADHO COC1([C@H](C)[NH2+]Cc2ccccc2CN2CCC(O)CC2)CCOCC1 ZINC000453141736 560383777 /nfs/dbraw/zinc/38/37/77/560383777.db2.gz SSLWFOWEHKXDDF-KRWDZBQOSA-N 1 3 362.514 2.317 20 0 FEADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453688571 560396917 /nfs/dbraw/zinc/39/69/17/560396917.db2.gz HCZQJBDGOCOMJY-HKUYNNGSSA-N 1 3 372.513 2.117 20 0 FEADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000454085329 560427857 /nfs/dbraw/zinc/42/78/57/560427857.db2.gz FKOPSHQVPPILJA-HKUYNNGSSA-N 1 3 372.513 2.115 20 0 FEADHO CCN1CCN(CC(C)(C)NC(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000454339835 560440771 /nfs/dbraw/zinc/44/07/71/560440771.db2.gz FICLONBSUYRFIC-UHFFFAOYSA-N 1 3 361.534 2.286 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3)CC2)CC1 ZINC000454440486 560444583 /nfs/dbraw/zinc/44/45/83/560444583.db2.gz AZWCLDUHBOIUKU-FPSLLJFYSA-N 1 3 372.557 2.399 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454624790 560451753 /nfs/dbraw/zinc/45/17/53/560451753.db2.gz SMZHAVVRBCBQQB-GSEOLPGOSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000454624790 560451754 /nfs/dbraw/zinc/45/17/54/560451754.db2.gz SMZHAVVRBCBQQB-GSEOLPGOSA-N 1 3 356.514 2.243 20 0 FEADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000455031402 560467867 /nfs/dbraw/zinc/46/78/67/560467867.db2.gz GSECBIKBNNOVOS-SFHVURJKSA-N 1 3 366.550 2.147 20 0 FEADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455672897 560491393 /nfs/dbraw/zinc/49/13/93/560491393.db2.gz WFZBNMIONGIKEY-INIZCTEOSA-N 1 3 364.538 2.467 20 0 FEADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455672897 560491394 /nfs/dbraw/zinc/49/13/94/560491394.db2.gz WFZBNMIONGIKEY-INIZCTEOSA-N 1 3 364.538 2.467 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(n1)CCC2 ZINC000455884145 560499013 /nfs/dbraw/zinc/49/90/13/560499013.db2.gz MOCJRDJDKRTZIF-QGZVFWFLSA-N 1 3 359.518 2.450 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc2c(n1)CCC2 ZINC000455884145 560499014 /nfs/dbraw/zinc/49/90/14/560499014.db2.gz MOCJRDJDKRTZIF-QGZVFWFLSA-N 1 3 359.518 2.450 20 0 FEADHO CC1CCN(C[C@@H](O)CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455912403 560499952 /nfs/dbraw/zinc/49/99/52/560499952.db2.gz JLFWLTUQCWVRNV-ICSRJNTNSA-N 1 3 374.529 2.450 20 0 FEADHO C[N@H+](CCCCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C1CC1 ZINC000457198655 560555613 /nfs/dbraw/zinc/55/56/13/560555613.db2.gz KDPAFZLJWXOTKI-UHFFFAOYSA-N 1 3 373.541 2.495 20 0 FEADHO C[N@@H+](CCCCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C1CC1 ZINC000457198655 560555614 /nfs/dbraw/zinc/55/56/14/560555614.db2.gz KDPAFZLJWXOTKI-UHFFFAOYSA-N 1 3 373.541 2.495 20 0 FEADHO CN(C)[C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)Cc1ccccc1 ZINC000457480952 560569483 /nfs/dbraw/zinc/56/94/83/560569483.db2.gz KZSBXKUWMLEHJS-HXUWFJFHSA-N 1 3 358.530 2.475 20 0 FEADHO Cc1c(Cl)cncc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000457502992 560571125 /nfs/dbraw/zinc/57/11/25/560571125.db2.gz FMQZZOHXHXVGHA-UHFFFAOYSA-N 1 3 350.894 2.332 20 0 FEADHO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000458166628 560606368 /nfs/dbraw/zinc/60/63/68/560606368.db2.gz LWSCHEIXQFKYOW-SFHVURJKSA-N 1 3 373.541 2.353 20 0 FEADHO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000458166628 560606369 /nfs/dbraw/zinc/60/63/69/560606369.db2.gz LWSCHEIXQFKYOW-SFHVURJKSA-N 1 3 373.541 2.353 20 0 FEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000458382288 560618880 /nfs/dbraw/zinc/61/88/80/560618880.db2.gz QZDWVHACQAVZCE-MSOLQXFVSA-N 1 3 368.566 2.033 20 0 FEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000458382288 560618881 /nfs/dbraw/zinc/61/88/81/560618881.db2.gz QZDWVHACQAVZCE-MSOLQXFVSA-N 1 3 368.566 2.033 20 0 FEADHO C[NH+](C)CC(C)(C)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000458736307 560644873 /nfs/dbraw/zinc/64/48/73/560644873.db2.gz JDMOMVIMNJSUDH-UHFFFAOYSA-N 1 3 364.456 2.431 20 0 FEADHO CCOC1(CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)CCCC1 ZINC000458827808 560650766 /nfs/dbraw/zinc/65/07/66/560650766.db2.gz IYGZILVCDVKHFX-SFHVURJKSA-N 1 3 368.566 2.393 20 0 FEADHO CCOC1(CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)CCCC1 ZINC000458827808 560650767 /nfs/dbraw/zinc/65/07/67/560650767.db2.gz IYGZILVCDVKHFX-SFHVURJKSA-N 1 3 368.566 2.393 20 0 FEADHO CCO[C@@H]1CCC[C@H]1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000459115071 560667539 /nfs/dbraw/zinc/66/75/39/560667539.db2.gz SJADITQWJNPENT-KZNAEPCWSA-N 1 3 354.539 2.002 20 0 FEADHO CCO[C@@H]1CCC[C@H]1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000459115071 560667540 /nfs/dbraw/zinc/66/75/40/560667540.db2.gz SJADITQWJNPENT-KZNAEPCWSA-N 1 3 354.539 2.002 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@H](OC)C12CCC2 ZINC000459283851 560677520 /nfs/dbraw/zinc/67/75/20/560677520.db2.gz DLIQYZLGCSMPRI-KURKYZTESA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@H](OC)C12CCC2 ZINC000459283851 560677521 /nfs/dbraw/zinc/67/75/21/560677521.db2.gz DLIQYZLGCSMPRI-KURKYZTESA-N 1 3 366.550 2.002 20 0 FEADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459721030 560704490 /nfs/dbraw/zinc/70/44/90/560704490.db2.gz AFIRQUOZQZWKDJ-QGZVFWFLSA-N 1 3 350.507 2.273 20 0 FEADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459721030 560704492 /nfs/dbraw/zinc/70/44/92/560704492.db2.gz AFIRQUOZQZWKDJ-QGZVFWFLSA-N 1 3 350.507 2.273 20 0 FEADHO COc1cccc([C@H](CNC(=O)NCC[N@H+]2CC=C(C)CC2)N(C)C)c1 ZINC000460225675 560738445 /nfs/dbraw/zinc/73/84/45/560738445.db2.gz AVYAXKYVAHSITM-IBGZPJMESA-N 1 3 360.502 2.249 20 0 FEADHO COc1cccc([C@H](CNC(=O)NCC[N@@H+]2CC=C(C)CC2)N(C)C)c1 ZINC000460225675 560738446 /nfs/dbraw/zinc/73/84/46/560738446.db2.gz AVYAXKYVAHSITM-IBGZPJMESA-N 1 3 360.502 2.249 20 0 FEADHO CCCN(CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000464883094 560854453 /nfs/dbraw/zinc/85/44/53/560854453.db2.gz MXZJMGLFCNCSFO-BHIYHBOVSA-N 1 3 351.535 2.112 20 0 FEADHO CCCN(CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000464883096 560854464 /nfs/dbraw/zinc/85/44/64/560854464.db2.gz MXZJMGLFCNCSFO-QXAKKESOSA-N 1 3 351.535 2.112 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCN1C ZINC000465582674 560868981 /nfs/dbraw/zinc/86/89/81/560868981.db2.gz ZMFONHUGCBZXMK-FXAWDEMLSA-N 1 3 358.530 2.475 20 0 FEADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000465909585 560875835 /nfs/dbraw/zinc/87/58/35/560875835.db2.gz SLDJAPBFDXWICH-MRXNPFEDSA-N 1 3 354.539 2.002 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000467528316 560912127 /nfs/dbraw/zinc/91/21/27/560912127.db2.gz FKQHMYMTDYGGGE-PMACEKPBSA-N 1 3 356.514 2.185 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000467528316 560912128 /nfs/dbraw/zinc/91/21/28/560912128.db2.gz FKQHMYMTDYGGGE-PMACEKPBSA-N 1 3 356.514 2.185 20 0 FEADHO Cc1cc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)n(C2CCN(C)CC2)n1 ZINC000474316189 561071063 /nfs/dbraw/zinc/07/10/63/561071063.db2.gz YDOZFXVTFZNFRZ-UHFFFAOYSA-N 1 3 367.497 2.399 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000474460540 561074731 /nfs/dbraw/zinc/07/47/31/561074731.db2.gz MOFAHTBLPDLGLB-HNNXBMFYSA-N 1 3 362.909 2.036 20 0 FEADHO CC[N@@H+]1CC[C@H](N(C)CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H]1C ZINC000475040635 561088707 /nfs/dbraw/zinc/08/87/07/561088707.db2.gz ULOVYXDZWQXPLN-YSIASYRMSA-N 1 3 360.546 2.210 20 0 FEADHO CC[N@H+]1CC[C@H](N(C)CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H]1C ZINC000475040635 561088708 /nfs/dbraw/zinc/08/87/08/561088708.db2.gz ULOVYXDZWQXPLN-YSIASYRMSA-N 1 3 360.546 2.210 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3[C@H](C)O[C@@H](C)[C@H]3C)CC2)CC1 ZINC000529978644 562393479 /nfs/dbraw/zinc/39/34/79/562393479.db2.gz LXJWFSGXCUNXRO-DRMAHVMPSA-N 1 3 351.535 2.111 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238127 562403359 /nfs/dbraw/zinc/40/33/59/562403359.db2.gz JZJMZALWDKNKCP-QRQLOZEOSA-N 1 3 351.535 2.257 20 0 FEADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241444 562403725 /nfs/dbraw/zinc/40/37/25/562403725.db2.gz PVUYMMCXOMSJIX-NQIIRXRSSA-N 1 3 373.541 2.432 20 0 FEADHO Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n(C2CCN(C)CC2)n1 ZINC000530710648 562421356 /nfs/dbraw/zinc/42/13/56/562421356.db2.gz HEBDAEAKJIRNCJ-WBVHZDCISA-N 1 3 360.506 2.159 20 0 FEADHO Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n(C2CCN(C)CC2)n1 ZINC000530710648 562421357 /nfs/dbraw/zinc/42/13/57/562421357.db2.gz HEBDAEAKJIRNCJ-WBVHZDCISA-N 1 3 360.506 2.159 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](CCOC[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000530939628 562429324 /nfs/dbraw/zinc/42/93/24/562429324.db2.gz IFRZIMMNQDZQSM-NSHGMRRFSA-N 1 3 354.535 2.393 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000530992808 562431124 /nfs/dbraw/zinc/43/11/24/562431124.db2.gz SJGDAFZKCWHDKW-CABCVRRESA-N 1 3 366.472 2.490 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531289296 562440677 /nfs/dbraw/zinc/44/06/77/562440677.db2.gz GCDGFLKXUDCSFL-SIKLNZKXSA-N 1 3 373.541 2.394 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531289296 562440678 /nfs/dbraw/zinc/44/06/78/562440678.db2.gz GCDGFLKXUDCSFL-SIKLNZKXSA-N 1 3 373.541 2.394 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000531932520 562461955 /nfs/dbraw/zinc/46/19/55/562461955.db2.gz SHBHDWPIODIABE-ZJPYXAASSA-N 1 3 350.576 2.355 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000531932520 562461956 /nfs/dbraw/zinc/46/19/56/562461956.db2.gz SHBHDWPIODIABE-ZJPYXAASSA-N 1 3 350.576 2.355 20 0 FEADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000531932520 562461957 /nfs/dbraw/zinc/46/19/57/562461957.db2.gz SHBHDWPIODIABE-ZJPYXAASSA-N 1 3 350.576 2.355 20 0 FEADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)CC[C@H]21 ZINC000532527233 562480303 /nfs/dbraw/zinc/48/03/03/562480303.db2.gz HVPIYGDERFXXSJ-HSALFYBXSA-N 1 3 356.514 2.236 20 0 FEADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)CC[C@H]21 ZINC000532527233 562480304 /nfs/dbraw/zinc/48/03/04/562480304.db2.gz HVPIYGDERFXXSJ-HSALFYBXSA-N 1 3 356.514 2.236 20 0 FEADHO C[NH+]1CCC([C@@H]2CCN([C@@H]3CC(=O)N(CCc4ccccc4)C3=O)C2)CC1 ZINC000533684172 562516146 /nfs/dbraw/zinc/51/61/46/562516146.db2.gz HAMCDEZOINUDFG-WOJBJXKFSA-N 1 3 369.509 2.020 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000533812099 562518866 /nfs/dbraw/zinc/51/88/66/562518866.db2.gz NUFBRSLEYCVVAM-VQIMIIECSA-N 1 3 353.470 2.050 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)[C@H](C)C1 ZINC000536854523 562581584 /nfs/dbraw/zinc/58/15/84/562581584.db2.gz XRDCRBBRRLLRND-GFOJFJKKSA-N 1 3 367.578 2.091 20 0 FEADHO CN1CCN(CC2(C)CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000549930123 562641259 /nfs/dbraw/zinc/64/12/59/562641259.db2.gz LNHNIECCTFXPDA-FQEVSTJZSA-N 1 3 363.521 2.079 20 0 FEADHO COC(=O)c1cc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)[nH]c1C ZINC000602515885 567986590 /nfs/dbraw/zinc/98/65/90/567986590.db2.gz SPESRLPMEUDRAI-UHFFFAOYSA-N 1 3 370.497 2.147 20 0 FEADHO COC(=O)[C@@](C)(O)CN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602865495 568008146 /nfs/dbraw/zinc/00/81/46/568008146.db2.gz VYWFRVNLFPFNGU-FQEVSTJZSA-N 1 3 360.498 2.289 20 0 FEADHO CC[NH+](CC)C[C@@H](C)NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000469501708 568293396 /nfs/dbraw/zinc/29/33/96/568293396.db2.gz NTIFFRSKQJLHLQ-LJQANCHMSA-N 1 3 360.546 2.354 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CCCO1 ZINC000637090628 568354404 /nfs/dbraw/zinc/35/44/04/568354404.db2.gz SKXFYMHPRMIXJZ-MJGOQNOKSA-N 1 3 366.550 2.194 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CCCO1 ZINC000637090628 568354405 /nfs/dbraw/zinc/35/44/05/568354405.db2.gz SKXFYMHPRMIXJZ-MJGOQNOKSA-N 1 3 366.550 2.194 20 0 FEADHO CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821062135 606886715 /nfs/dbraw/zinc/88/67/15/606886715.db2.gz UNFYMWNTSOHMDS-IBGZPJMESA-N 1 3 372.517 2.344 20 0 FEADHO CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821062135 606886717 /nfs/dbraw/zinc/88/67/17/606886717.db2.gz UNFYMWNTSOHMDS-IBGZPJMESA-N 1 3 372.517 2.344 20 0 FEADHO CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821062135 606886719 /nfs/dbraw/zinc/88/67/19/606886719.db2.gz UNFYMWNTSOHMDS-IBGZPJMESA-N 1 3 372.517 2.344 20 0 FEADHO CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821062135 606886720 /nfs/dbraw/zinc/88/67/20/606886720.db2.gz UNFYMWNTSOHMDS-IBGZPJMESA-N 1 3 372.517 2.344 20 0 FEADHO CS[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH+]1CCCC1 ZINC000811033507 674575015 /nfs/dbraw/zinc/57/50/15/674575015.db2.gz BSOYUKYYEOIHGH-IIDMSEBBSA-N 1 3 357.539 2.237 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000811812353 674630157 /nfs/dbraw/zinc/63/01/57/674630157.db2.gz QRNVJYAZVNPFTF-MDZRGWNJSA-N 1 3 357.539 2.220 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C[C@H]3CCCO3)CC2)CC1 ZINC000564098724 674973375 /nfs/dbraw/zinc/97/33/75/674973375.db2.gz XJPWGHUKHRXIJE-VQIMIIECSA-N 1 3 351.535 2.257 20 0 FEADHO CC[C@@H](C)[C@H](CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)OC ZINC000574171648 671211468 /nfs/dbraw/zinc/21/14/68/671211468.db2.gz OSJXYNUCLSRAMW-APWZRJJASA-N 1 3 353.551 2.360 20 0 FEADHO [NH3+]C[C@@H]1CCCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000577363524 671590836 /nfs/dbraw/zinc/59/08/36/671590836.db2.gz OQBBUFHSSDRKPT-KRWDZBQOSA-N 1 3 362.543 2.481 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCC[C@@H]3OC)CC2)CC1 ZINC000578451699 671666702 /nfs/dbraw/zinc/66/67/02/671666702.db2.gz MANVGIQOLKQBDW-MJGOQNOKSA-N 1 3 351.535 2.114 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)O[C@H](C)[C@@H]3C)CC2)CC1 ZINC000579492087 671739960 /nfs/dbraw/zinc/73/99/60/671739960.db2.gz UZSWOPDMYCBVDW-YESZJQIVSA-N 1 3 351.535 2.207 20 0 FEADHO CC[C@H](C)[C@](C)(O)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000582428875 672001608 /nfs/dbraw/zinc/00/16/08/672001608.db2.gz CEILUIXVMBQYOJ-OXJNMPFZSA-N 1 3 353.551 2.096 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000583921398 672139103 /nfs/dbraw/zinc/13/91/03/672139103.db2.gz UYZDWHDYQKLGRY-WPKBUWHJSA-N 1 3 364.515 2.081 20 0 FEADHO O=C(C[NH2+]C1CC1)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000237754978 672812109 /nfs/dbraw/zinc/81/21/09/672812109.db2.gz SAYKYZCUAXZBTD-UHFFFAOYSA-N 1 3 351.878 2.051 20 0 FEADHO CCN1CCN(CCC[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000597074211 673444657 /nfs/dbraw/zinc/44/46/57/673444657.db2.gz BTYJLHRTDVKXOB-UHFFFAOYSA-N 1 3 353.894 2.244 20 0 FEADHO C[C@@H]1CCN(CC(=O)N(C[C@@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)C1 ZINC000614444159 676175154 /nfs/dbraw/zinc/17/51/54/676175154.db2.gz WHGLZXLEEPADMQ-AEFFLSMTSA-N 1 3 353.551 2.048 20 0 FEADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@]1(O)CC[N@H+](C)C1 ZINC000545868556 673779104 /nfs/dbraw/zinc/77/91/04/673779104.db2.gz SBOPHIQBQYAGLZ-BLLLJJGKSA-N 1 3 359.392 2.079 20 0 FEADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000545868556 673779106 /nfs/dbraw/zinc/77/91/06/673779106.db2.gz SBOPHIQBQYAGLZ-BLLLJJGKSA-N 1 3 359.392 2.079 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCCCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000566296369 675201828 /nfs/dbraw/zinc/20/18/28/675201828.db2.gz ISNBSZSDSUAJND-SCTDSRPQSA-N 1 3 351.535 2.257 20 0 FEADHO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000819135674 675263745 /nfs/dbraw/zinc/26/37/45/675263745.db2.gz YKWLVZSOCWIKFP-IBGZPJMESA-N 1 3 355.523 2.259 20 0 FEADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1F ZINC000819175087 675266469 /nfs/dbraw/zinc/26/64/69/675266469.db2.gz UDAYEUNMJAOFHI-GBESFXJTSA-N 1 3 354.441 2.356 20 0 FEADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000567499445 675298596 /nfs/dbraw/zinc/29/85/96/675298596.db2.gz ZWZOWMDLHUZNRL-UJLSLHKQSA-N 1 3 350.429 2.217 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000820063260 675333775 /nfs/dbraw/zinc/33/37/75/675333775.db2.gz OKFDXLBZMFPOMM-AWEZNQCLSA-N 1 3 355.914 2.148 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000820063260 675333778 /nfs/dbraw/zinc/33/37/78/675333778.db2.gz OKFDXLBZMFPOMM-AWEZNQCLSA-N 1 3 355.914 2.148 20 0 FEADHO CSc1nc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2ccccn21 ZINC000617504854 676288748 /nfs/dbraw/zinc/28/87/48/676288748.db2.gz MYGIVRSZQLQSFH-AWEZNQCLSA-N 1 3 363.531 2.058 20 0 FEADHO CSc1nc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2ccccn21 ZINC000617504854 676288750 /nfs/dbraw/zinc/28/87/50/676288750.db2.gz MYGIVRSZQLQSFH-AWEZNQCLSA-N 1 3 363.531 2.058 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000617507187 676289345 /nfs/dbraw/zinc/28/93/45/676289345.db2.gz LYJMRDPOBFDBEB-GJZGRUSLSA-N 1 3 355.910 2.496 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000617507187 676289349 /nfs/dbraw/zinc/28/93/49/676289349.db2.gz LYJMRDPOBFDBEB-GJZGRUSLSA-N 1 3 355.910 2.496 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCC[C@@H](C)O3)CC2)CC1 ZINC000618589141 676345354 /nfs/dbraw/zinc/34/53/54/676345354.db2.gz NWAMMFUTWWDSGY-VQIMIIECSA-N 1 3 351.535 2.257 20 0 FEADHO COCCN1CCC(NC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000620325383 676413479 /nfs/dbraw/zinc/41/34/79/676413479.db2.gz QUVKISUMIQJUJL-UHFFFAOYSA-N 1 3 354.539 2.051 20 0 FEADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC[C@@H]1C(F)(F)F ZINC000627020212 676735019 /nfs/dbraw/zinc/73/50/19/676735019.db2.gz CKXBRBWPKDZOPN-SNPRPXQTSA-N 1 3 362.440 2.172 20 0 FEADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC[C@H]1C(F)(F)F ZINC000627020213 676735054 /nfs/dbraw/zinc/73/50/54/676735054.db2.gz CKXBRBWPKDZOPN-VHDGCEQUSA-N 1 3 362.440 2.172 20 0 FEADHO C[C@@H]1CC[C@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C[NH2+]1 ZINC000627022304 676735261 /nfs/dbraw/zinc/73/52/61/676735261.db2.gz CTOKBZMZHFRVGN-WSYDAFBYSA-N 1 3 362.440 2.231 20 0 FEADHO [NH3+]CCCOCCNCc1cc(Br)c2c(c1)OCCCO2 ZINC000629398902 676853219 /nfs/dbraw/zinc/85/32/19/676853219.db2.gz JDMSKEXCVWHRMP-UHFFFAOYSA-N 1 3 359.264 2.065 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632923708 677021769 /nfs/dbraw/zinc/02/17/69/677021769.db2.gz IEOHXORXIKUYMU-HDICACEKSA-N 1 3 360.527 2.246 20 0 FEADHO C[C@@H]1CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C[C@H]1C[NH3+] ZINC000632924864 677021796 /nfs/dbraw/zinc/02/17/96/677021796.db2.gz KWBGSFFMHRPSGO-NVXWUHKLSA-N 1 3 362.543 2.336 20 0 FEADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H](N)CC(F)F)cc2)CC1 ZINC000830126055 677026749 /nfs/dbraw/zinc/02/67/49/677026749.db2.gz WKRAGDVTNQLYKM-INIZCTEOSA-N 1 3 354.445 2.386 20 0 FEADHO O=C(CCC1C[NH2+]C1)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000638123104 677140486 /nfs/dbraw/zinc/14/04/86/677140486.db2.gz PDFONZOZJLOFEE-UHFFFAOYSA-N 1 3 365.905 2.299 20 0 FEADHO [NH3+][C@H]1CC=C(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000638125473 677140607 /nfs/dbraw/zinc/14/06/07/677140607.db2.gz YDKGDMYOWJRAIO-INIZCTEOSA-N 1 3 363.889 2.347 20 0 FEADHO CC(C)(O)C[NH+]1CCC(NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC1 ZINC000639103124 677154142 /nfs/dbraw/zinc/15/41/42/677154142.db2.gz FBHYSCLREMGQMI-AZUAARDMSA-N 1 3 350.478 2.117 20 0 FEADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2[nH]c(=O)oc2c1 ZINC000643530609 677227455 /nfs/dbraw/zinc/22/74/55/677227455.db2.gz YVQZCYUUXMPAAP-HZMBPMFUSA-N 1 3 358.364 2.020 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644159626 677238729 /nfs/dbraw/zinc/23/87/29/677238729.db2.gz ICCLNMMLALAUDT-NVXWUHKLSA-N 1 3 351.441 2.354 20 0 FEADHO CN1CCC([NH+]2CCC(NC(=O)[C@@H](N)c3cccc(Cl)c3)CC2)CC1 ZINC000649312032 677329191 /nfs/dbraw/zinc/32/91/91/677329191.db2.gz FXXPQYSIHJDZGZ-SFHVURJKSA-N 1 3 364.921 2.015 20 0 FEADHO CC(C)CC1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000760922537 680705074 /nfs/dbraw/zinc/70/50/74/680705074.db2.gz XAEUVUZJAKQDRL-LJQANCHMSA-N 1 3 353.551 2.218 20 0 FEADHO CC(C)CC1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000760922537 680705075 /nfs/dbraw/zinc/70/50/75/680705075.db2.gz XAEUVUZJAKQDRL-LJQANCHMSA-N 1 3 353.551 2.218 20 0 FEADHO CC(C)CN(CC(C)C)C(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346080 677480497 /nfs/dbraw/zinc/48/04/97/677480497.db2.gz SWOBZEDQWDXXIU-GBESFXJTSA-N 1 3 353.551 2.345 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655462484 677642010 /nfs/dbraw/zinc/64/20/10/677642010.db2.gz PVBWDLOFFCGHAN-BEFAXECRSA-N 1 3 351.441 2.245 20 0 FEADHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H](N)C1)Cc1ccccc1 ZINC000659435586 678177168 /nfs/dbraw/zinc/17/71/68/678177168.db2.gz YRCRJHXXPHBZKR-KZNAEPCWSA-N 1 3 350.482 2.020 20 0 FEADHO C[NH2+]C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000659636682 678194266 /nfs/dbraw/zinc/19/42/66/678194266.db2.gz ATQHTHQLTPDPKW-ZDUSSCGKSA-N 1 3 371.323 2.130 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000661399585 678478207 /nfs/dbraw/zinc/47/82/07/678478207.db2.gz KTPZWVVDLIEKGY-SJORKVTESA-N 1 3 354.539 2.002 20 0 FEADHO O=S(=O)(Nc1ccccc1)[C@@H]1CCCN(CC[C@H]2CCC[NH2+]C2)C1 ZINC000662311853 678603102 /nfs/dbraw/zinc/60/31/02/678603102.db2.gz WNXCDEAEVRSTKR-SJLPKXTDSA-N 1 3 351.516 2.282 20 0 FEADHO C[C@@H](CN(C)CCC[NH+](C)C)Nc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000664196217 678841837 /nfs/dbraw/zinc/84/18/37/678841837.db2.gz IAUFCPNFELCARP-JTQLQIEISA-N 1 3 359.400 2.056 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nc(C(F)(F)F)nc2nc[nH]c21 ZINC000664196217 678841838 /nfs/dbraw/zinc/84/18/38/678841838.db2.gz IAUFCPNFELCARP-JTQLQIEISA-N 1 3 359.400 2.056 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nc(C(F)(F)F)nc2nc[nH]c21 ZINC000664196217 678841840 /nfs/dbraw/zinc/84/18/40/678841840.db2.gz IAUFCPNFELCARP-JTQLQIEISA-N 1 3 359.400 2.056 20 0 FEADHO CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1c(C)noc1C ZINC000664534631 678891479 /nfs/dbraw/zinc/89/14/79/678891479.db2.gz JCLYCHWOQBMZKH-BBRMVZONSA-N 1 3 353.511 2.314 20 0 FEADHO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1c(C)noc1C ZINC000664534631 678891481 /nfs/dbraw/zinc/89/14/81/678891481.db2.gz JCLYCHWOQBMZKH-BBRMVZONSA-N 1 3 353.511 2.314 20 0 FEADHO CCCO[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665757253 678981933 /nfs/dbraw/zinc/98/19/33/678981933.db2.gz DEFYNYSESJELRC-ROUUACIJSA-N 1 3 356.555 2.249 20 0 FEADHO CCCO[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665757253 678981936 /nfs/dbraw/zinc/98/19/36/678981936.db2.gz DEFYNYSESJELRC-ROUUACIJSA-N 1 3 356.555 2.249 20 0 FEADHO CO[C@@]1(C)C[C@H](N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000665759494 678981959 /nfs/dbraw/zinc/98/19/59/678981959.db2.gz IVYRSYIESDEAMS-BXWFABGCSA-N 1 3 356.555 2.103 20 0 FEADHO CO[C@@]1(C)C[C@H](N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000665759494 678981960 /nfs/dbraw/zinc/98/19/60/678981960.db2.gz IVYRSYIESDEAMS-BXWFABGCSA-N 1 3 356.555 2.103 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)OC2(CCCC2)C1 ZINC000665763670 678982616 /nfs/dbraw/zinc/98/26/16/678982616.db2.gz IOYVXPDXACNDLM-IRXDYDNUSA-N 1 3 354.539 2.002 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)OC2(CCCC2)C1 ZINC000665763670 678982618 /nfs/dbraw/zinc/98/26/18/678982618.db2.gz IOYVXPDXACNDLM-IRXDYDNUSA-N 1 3 354.539 2.002 20 0 FEADHO CCCN(CC[NH+](CC)CC)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666977281 679056120 /nfs/dbraw/zinc/05/61/20/679056120.db2.gz ZLAQDIVODCULKM-GOSISDBHSA-N 1 3 354.539 2.003 20 0 FEADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000668661184 679192108 /nfs/dbraw/zinc/19/21/08/679192108.db2.gz UYZJUCDFXJVFEF-TZMCWYRMSA-N 1 3 358.458 2.181 20 0 FEADHO CC[C@@H]1CN(C(=O)NCC2(N3CCSCC3)CCCC2)CC[C@@H]1[NH3+] ZINC000669389548 679231834 /nfs/dbraw/zinc/23/18/34/679231834.db2.gz SCVIGKDPHYOJIZ-CVEARBPZSA-N 1 3 354.564 2.117 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)N[C@H](CN1CCCCC1)c1ccccc1)C(F)F ZINC000669483942 679238196 /nfs/dbraw/zinc/23/81/96/679238196.db2.gz UDAOGPGWCQKKPI-HZPDHXFCSA-N 1 3 354.445 2.495 20 0 FEADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000670126552 679271701 /nfs/dbraw/zinc/27/17/01/679271701.db2.gz IMWXZEAGPFVVAQ-WBVHZDCISA-N 1 3 350.894 2.479 20 0 FEADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000670126552 679271702 /nfs/dbraw/zinc/27/17/02/679271702.db2.gz IMWXZEAGPFVVAQ-WBVHZDCISA-N 1 3 350.894 2.479 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3ccnc(Cl)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000995828413 680305089 /nfs/dbraw/zinc/30/50/89/680305089.db2.gz XRKMSMALQODRTQ-BMFZPTHFSA-N 1 3 364.921 2.402 20 0 FEADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3ccnc(Cl)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995828413 680305094 /nfs/dbraw/zinc/30/50/94/680305094.db2.gz XRKMSMALQODRTQ-BMFZPTHFSA-N 1 3 364.921 2.402 20 0 FEADHO Cc1cc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)sn1 ZINC000995832760 680305905 /nfs/dbraw/zinc/30/59/05/680305905.db2.gz OSNONUGEXOJTEC-BMFZPTHFSA-N 1 3 350.532 2.118 20 0 FEADHO Cc1cc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)sn1 ZINC000995832760 680305907 /nfs/dbraw/zinc/30/59/07/680305907.db2.gz OSNONUGEXOJTEC-BMFZPTHFSA-N 1 3 350.532 2.118 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2CCC(NCc3nccs3)CC2)CC[N@@H+]1C ZINC001026497323 680345079 /nfs/dbraw/zinc/34/50/79/680345079.db2.gz UCRBPHOWNUXQOP-SSHXOBKSSA-N 1 3 350.532 2.390 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2CCC(NCc3nccs3)CC2)CC[N@H+]1C ZINC001026497323 680345082 /nfs/dbraw/zinc/34/50/82/680345082.db2.gz UCRBPHOWNUXQOP-SSHXOBKSSA-N 1 3 350.532 2.390 20 0 FEADHO Cc1nc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC000997785010 680366414 /nfs/dbraw/zinc/36/64/14/680366414.db2.gz HEZHLLDVEZRWPY-CXAGYDPISA-N 1 3 350.532 2.120 20 0 FEADHO Cc1nc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC000997785010 680366417 /nfs/dbraw/zinc/36/64/17/680366417.db2.gz HEZHLLDVEZRWPY-CXAGYDPISA-N 1 3 350.532 2.120 20 0 FEADHO Cc1nsc(C)c1CN1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028551077 680374992 /nfs/dbraw/zinc/37/49/92/680374992.db2.gz ZGDIUCZRBPQWGL-FVQBIDKESA-N 1 3 350.532 2.038 20 0 FEADHO Cc1nsc(C)c1CN1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001028551077 680374998 /nfs/dbraw/zinc/37/49/98/680374998.db2.gz ZGDIUCZRBPQWGL-FVQBIDKESA-N 1 3 350.532 2.038 20 0 FEADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cnc(Cl)s3)C2)CC[N@@H+]1C ZINC000998794665 680389796 /nfs/dbraw/zinc/38/97/96/680389796.db2.gz DADFCYRYWADLIO-MLCFOIATSA-N 1 3 356.923 2.216 20 0 FEADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cnc(Cl)s3)C2)CC[N@H+]1C ZINC000998794665 680389797 /nfs/dbraw/zinc/38/97/97/680389797.db2.gz DADFCYRYWADLIO-MLCFOIATSA-N 1 3 356.923 2.216 20 0 FEADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(CCc2scnc2C)C1 ZINC001033834367 680425248 /nfs/dbraw/zinc/42/52/48/680425248.db2.gz PLCUDAKMNXKJML-IXDOHACOSA-N 1 3 364.559 2.257 20 0 FEADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(CCc2scnc2C)C1 ZINC001033834367 680425251 /nfs/dbraw/zinc/42/52/51/680425251.db2.gz PLCUDAKMNXKJML-IXDOHACOSA-N 1 3 364.559 2.257 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2cc(C)ns2)CC[N@@H+]1C ZINC001045044664 680620266 /nfs/dbraw/zinc/62/02/66/680620266.db2.gz PUVDCWKTIQITBI-BHYGNILZSA-N 1 3 350.532 2.262 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2cc(C)ns2)CC[N@H+]1C ZINC001045044664 680620271 /nfs/dbraw/zinc/62/02/71/680620271.db2.gz PUVDCWKTIQITBI-BHYGNILZSA-N 1 3 350.532 2.262 20 0 FEADHO CN(C)CCN(CCc1ccccc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000841334621 680873591 /nfs/dbraw/zinc/87/35/91/680873591.db2.gz FSITWJQNPQLAJJ-OAHLLOKOSA-N 1 3 360.424 2.082 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc(Cl)n1 ZINC000843490202 681006746 /nfs/dbraw/zinc/00/67/46/681006746.db2.gz GCHXXGNTMWXMDJ-IMJJTQAJSA-N 1 3 350.894 2.376 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc(Cl)n1 ZINC000843490202 681006749 /nfs/dbraw/zinc/00/67/49/681006749.db2.gz GCHXXGNTMWXMDJ-IMJJTQAJSA-N 1 3 350.894 2.376 20 0 FEADHO CCO[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844406998 681057159 /nfs/dbraw/zinc/05/71/59/681057159.db2.gz NLACZYSNMIBSCP-IXDOHACOSA-N 1 3 355.523 2.332 20 0 FEADHO CCO[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844406998 681057160 /nfs/dbraw/zinc/05/71/60/681057160.db2.gz NLACZYSNMIBSCP-IXDOHACOSA-N 1 3 355.523 2.332 20 0 FEADHO CN(C[C@H]1CCC[N@H+](C)C1)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846805635 681292218 /nfs/dbraw/zinc/29/22/18/681292218.db2.gz DYZDSVRXNUTXCJ-LPHOPBHVSA-N 1 3 355.523 2.022 20 0 FEADHO CN(C[C@H]1CCC[N@@H+](C)C1)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC000846805635 681292220 /nfs/dbraw/zinc/29/22/20/681292220.db2.gz DYZDSVRXNUTXCJ-LPHOPBHVSA-N 1 3 355.523 2.022 20 0 FEADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1Cl ZINC000849113824 681656602 /nfs/dbraw/zinc/65/66/02/681656602.db2.gz KSTWAGZLJWIDJQ-CQSZACIVSA-N 1 3 368.909 2.498 20 0 FEADHO CN(C)C[C@H]1CC[N@H+](C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 ZINC000851771995 682128813 /nfs/dbraw/zinc/12/88/13/682128813.db2.gz UJFFAUDJALMCHH-CVEARBPZSA-N 1 3 353.507 2.038 20 0 FEADHO CN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 ZINC000851771995 682128816 /nfs/dbraw/zinc/12/88/16/682128816.db2.gz UJFFAUDJALMCHH-CVEARBPZSA-N 1 3 353.507 2.038 20 0 FEADHO C[C@@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000926119507 683078917 /nfs/dbraw/zinc/07/89/17/683078917.db2.gz KXKMBUYBAGHJGO-JZXOWHBKSA-N 1 3 371.591 2.289 20 0 FEADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000926119506 683079007 /nfs/dbraw/zinc/07/90/07/683079007.db2.gz KXKMBUYBAGHJGO-BQFCYCMXSA-N 1 3 371.591 2.289 20 0 FEADHO CN(C)CCn1nccc1NC(=O)NCCCCCC1CC[NH2+]CC1 ZINC000926131192 683080366 /nfs/dbraw/zinc/08/03/66/683080366.db2.gz OTNHTWUHCREHPZ-UHFFFAOYSA-N 1 3 350.511 2.126 20 0 FEADHO C[C@H](C[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2)CN(C)C ZINC000926470003 683129018 /nfs/dbraw/zinc/12/90/18/683129018.db2.gz IQVNUJSMRVVKME-UHDSXZAQSA-N 1 3 355.523 2.092 20 0 FEADHO C[NH+]1CCC(OCC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000929473497 683601505 /nfs/dbraw/zinc/60/15/05/683601505.db2.gz MQHOWKOMPKZVIP-MRXNPFEDSA-N 1 3 351.516 2.112 20 0 FEADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(CCSc2ccc(F)cc2)CC1 ZINC000863546688 683740868 /nfs/dbraw/zinc/74/08/68/683740868.db2.gz DSXVEFXTIHGSQB-SJORKVTESA-N 1 3 365.474 2.175 20 0 FEADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=S)NC1CCN(C)CC1 ZINC000865243920 683955271 /nfs/dbraw/zinc/95/52/71/683955271.db2.gz WCVBPIQJLFXRGD-WMZOPIPTSA-N 1 3 360.571 2.313 20 0 FEADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=S)NC1CCN(C)CC1 ZINC000865243920 683955274 /nfs/dbraw/zinc/95/52/74/683955274.db2.gz WCVBPIQJLFXRGD-WMZOPIPTSA-N 1 3 360.571 2.313 20 0 FEADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1ccc(Cl)cc1-n1cncn1)CC2 ZINC000923450119 684282901 /nfs/dbraw/zinc/28/29/01/684282901.db2.gz DWYDSYLEUOBWBY-MRXNPFEDSA-N 1 3 361.877 2.251 20 0 FEADHO CNS(=O)(=O)c1ccc(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000923507548 684294440 /nfs/dbraw/zinc/29/44/40/684294440.db2.gz QRSGZURVXMYZNQ-KRWDZBQOSA-N 1 3 365.543 2.196 20 0 FEADHO C[N@@H+]1CC[C@H]2CN(C(=O)NCC3(N4CCSCC4)CCCC3)CC[C@@H]21 ZINC000875099977 685730823 /nfs/dbraw/zinc/73/08/23/685730823.db2.gz CYUXGHNMSYYADG-IRXDYDNUSA-N 1 3 366.575 2.084 20 0 FEADHO C[N@H+]1CC[C@H]2CN(C(=O)NCC3(N4CCSCC4)CCCC3)CC[C@@H]21 ZINC000875099977 685730829 /nfs/dbraw/zinc/73/08/29/685730829.db2.gz CYUXGHNMSYYADG-IRXDYDNUSA-N 1 3 366.575 2.084 20 0 FEADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000875370620 685796372 /nfs/dbraw/zinc/79/63/72/685796372.db2.gz IHLJOINTHXGHLC-VQIMIIECSA-N 1 3 350.551 2.479 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876743545 686258316 /nfs/dbraw/zinc/25/83/16/686258316.db2.gz HMLBUAKGIQVBOX-WBVHZDCISA-N 1 3 351.491 2.164 20 0 FEADHO [NH3+][C@H]1C[C@H](CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000877243318 686343120 /nfs/dbraw/zinc/34/31/20/686343120.db2.gz HUCVFLMLGCWOJA-BFYDXBDKSA-N 1 3 355.404 2.295 20 0 FEADHO CN1CCC2(CC[N@@H+]2CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000899911696 690438104 /nfs/dbraw/zinc/43/81/04/690438104.db2.gz WLGNIJBAYLAVTB-UHFFFAOYSA-N 1 3 352.519 2.420 20 0 FEADHO CN1CCC2(CC[N@H+]2CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000899911696 690438106 /nfs/dbraw/zinc/43/81/06/690438106.db2.gz WLGNIJBAYLAVTB-UHFFFAOYSA-N 1 3 352.519 2.420 20 0 FEADHO CN(C)Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)cc1 ZINC000903546793 690920207 /nfs/dbraw/zinc/92/02/07/690920207.db2.gz NRNYXLNAZGMQBF-SFHVURJKSA-N 1 3 365.543 2.420 20 0 FEADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C[C@@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000903839411 690977540 /nfs/dbraw/zinc/97/75/40/690977540.db2.gz KNPXTMNYGKYUTI-FBUXBERBSA-N 1 3 373.266 2.140 20 0 FEADHO FC1(F)CCNC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000903954549 690989029 /nfs/dbraw/zinc/98/90/29/690989029.db2.gz DXKCOQMLPQRBMW-CYBMUJFWSA-N 1 3 350.369 2.140 20 0 FEADHO CN(C)Cc1ccnc(N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164693233 719760682 /nfs/dbraw/zinc/76/06/82/719760682.db2.gz YUVIFZWHJKTGGR-UZLBHIALSA-N 1 3 371.460 2.336 20 0 FEADHO CN(C)c1cc[nH+]c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982093 722115629 /nfs/dbraw/zinc/11/56/29/722115629.db2.gz VXWANBXMACZHSQ-AZUAARDMSA-N 1 3 367.497 2.270 20 0 FEADHO CC(C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)S(C)(=O)=O ZINC000048310227 540356853 /nfs/dbraw/zinc/35/68/53/540356853.db2.gz HGHWKFLBEBSWSS-OWCLPIDISA-N 1 3 366.527 2.214 20 0 FEADHO CC(C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)S(C)(=O)=O ZINC000048310227 540356856 /nfs/dbraw/zinc/35/68/56/540356856.db2.gz HGHWKFLBEBSWSS-OWCLPIDISA-N 1 3 366.527 2.214 20 0 FEADHO COCc1cccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000051758602 540442552 /nfs/dbraw/zinc/44/25/52/540442552.db2.gz XBRVOYYQJUEXAO-UHFFFAOYSA-N 1 3 374.529 2.191 20 0 FEADHO CC1CCN(CCC[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000550613630 674102186 /nfs/dbraw/zinc/10/21/86/674102186.db2.gz GYAXXXOGFUFITH-LJQANCHMSA-N 1 3 365.543 2.423 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000054509306 540592831 /nfs/dbraw/zinc/59/28/31/540592831.db2.gz PANDQRANNNGDAV-GOSISDBHSA-N 1 3 358.530 2.466 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000054509306 540592834 /nfs/dbraw/zinc/59/28/34/540592834.db2.gz PANDQRANNNGDAV-GOSISDBHSA-N 1 3 358.530 2.466 20 0 FEADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(c2ccncc2)CC1 ZINC000056946386 540756660 /nfs/dbraw/zinc/75/66/60/540756660.db2.gz LTKFYBKORWSHMT-FGTMMUONSA-N 1 3 359.518 2.280 20 0 FEADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(c2ccncc2)CC1 ZINC000056946386 540756664 /nfs/dbraw/zinc/75/66/64/540756664.db2.gz LTKFYBKORWSHMT-FGTMMUONSA-N 1 3 359.518 2.280 20 0 FEADHO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+]CCCN2CCCC2)CC1 ZINC000818158776 675199454 /nfs/dbraw/zinc/19/94/54/675199454.db2.gz CCTDKVWPWCVUOT-KRWDZBQOSA-N 1 3 355.523 2.070 20 0 FEADHO CC(C)(C)OC(=O)N1CCC([C@@H](O)CNCCC[NH+]2CCCC2)CC1 ZINC000818158776 675199459 /nfs/dbraw/zinc/19/94/59/675199459.db2.gz CCTDKVWPWCVUOT-KRWDZBQOSA-N 1 3 355.523 2.070 20 0 FEADHO Cn1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)C2)n1 ZINC000359998444 223143848 /nfs/dbraw/zinc/14/38/48/223143848.db2.gz LYICAMUMKRGCBV-XSDIEEQYSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1ccc(N2CC[C@H](N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2)n1 ZINC000359998444 223143851 /nfs/dbraw/zinc/14/38/51/223143851.db2.gz LYICAMUMKRGCBV-XSDIEEQYSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1ccc(N2CC[C@H](N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2)n1 ZINC000359998444 223143853 /nfs/dbraw/zinc/14/38/53/223143853.db2.gz LYICAMUMKRGCBV-XSDIEEQYSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1ccc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]34)C2)n1 ZINC000359998441 223143907 /nfs/dbraw/zinc/14/39/07/223143907.db2.gz LYICAMUMKRGCBV-IVAOSVALSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1ccc(N2CC[C@H](N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)C2)n1 ZINC000359998441 223143909 /nfs/dbraw/zinc/14/39/09/223143909.db2.gz LYICAMUMKRGCBV-IVAOSVALSA-N 1 3 365.525 2.499 20 0 FEADHO Cn1ccc(N2CC[C@H](N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)C2)n1 ZINC000359998441 223143911 /nfs/dbraw/zinc/14/39/11/223143911.db2.gz LYICAMUMKRGCBV-IVAOSVALSA-N 1 3 365.525 2.499 20 0 FEADHO Cc1nnc2n1C[C@H]([NH2+][C@@H]1CC[C@@H]3CN(Cc4ccccc4)C[C@@H]13)CC2 ZINC000359903775 223136198 /nfs/dbraw/zinc/13/61/98/223136198.db2.gz VKQDBEYHEIZUEM-UAFMIMERSA-N 1 3 351.498 2.402 20 0 FEADHO C[C@H]1CCCN(CCNC(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000066178448 541287721 /nfs/dbraw/zinc/28/77/21/541287721.db2.gz OELDFFORAJBRFJ-KRWDZBQOSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H]1CCC[N@H+](CCNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000072956360 541897222 /nfs/dbraw/zinc/89/72/22/541897222.db2.gz MNZOWAAMRAFWPJ-LJQANCHMSA-N 1 3 358.530 2.047 20 0 FEADHO C[C@@H]1CCC[N@@H+](CCNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000072956360 541897226 /nfs/dbraw/zinc/89/72/26/541897226.db2.gz MNZOWAAMRAFWPJ-LJQANCHMSA-N 1 3 358.530 2.047 20 0 FEADHO C[NH+]1CCC(CCNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000073228652 541932420 /nfs/dbraw/zinc/93/24/20/541932420.db2.gz TXHSEZRNUOWUTN-UHFFFAOYSA-N 1 3 358.530 2.047 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)CC[NH+]3CCCC3)CC2)c1 ZINC000073377735 541948148 /nfs/dbraw/zinc/94/81/48/541948148.db2.gz LGHFKWMELQRUOH-UHFFFAOYSA-N 1 3 358.530 2.061 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000073664423 541982912 /nfs/dbraw/zinc/98/29/12/541982912.db2.gz RFONUYUVVMWOAQ-SFHVURJKSA-N 1 3 368.566 2.393 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000073988113 542023076 /nfs/dbraw/zinc/02/30/76/542023076.db2.gz VJIJUSDRPLCBGT-HXUWFJFHSA-N 1 3 358.530 2.060 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000073988113 542023079 /nfs/dbraw/zinc/02/30/79/542023079.db2.gz VJIJUSDRPLCBGT-HXUWFJFHSA-N 1 3 358.530 2.060 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H](C[N@H+](C)CC)C3)cc2)CC1 ZINC000074181680 542049389 /nfs/dbraw/zinc/04/93/89/542049389.db2.gz CBBWDJRZUYVDMZ-GOSISDBHSA-N 1 3 358.530 2.242 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H](C[N@@H+](C)CC)C3)cc2)CC1 ZINC000074181680 542049393 /nfs/dbraw/zinc/04/93/93/542049393.db2.gz CBBWDJRZUYVDMZ-GOSISDBHSA-N 1 3 358.530 2.242 20 0 FEADHO C[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N1CCC(C)CC1 ZINC000074867573 542131132 /nfs/dbraw/zinc/13/11/32/542131132.db2.gz YSVFUCOULYSUTF-MJGOQNOKSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N1CCC(C)CC1 ZINC000074867573 542131134 /nfs/dbraw/zinc/13/11/34/542131134.db2.gz YSVFUCOULYSUTF-MJGOQNOKSA-N 1 3 350.551 2.480 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000077754497 542416394 /nfs/dbraw/zinc/41/63/94/542416394.db2.gz CUJGAVWJTZYRCG-FQEVSTJZSA-N 1 3 369.513 2.306 20 0 FEADHO Cc1cccc2[nH]cc(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)c21 ZINC000077809739 542422610 /nfs/dbraw/zinc/42/26/10/542422610.db2.gz WBEOAKGMOCDBHS-UHFFFAOYSA-N 1 3 359.518 2.154 20 0 FEADHO COCCN(C)CCCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000079620325 542531919 /nfs/dbraw/zinc/53/19/19/542531919.db2.gz URYTUMKHBCGFBC-UHFFFAOYSA-N 1 3 368.566 2.252 20 0 FEADHO COCCN(C)CCCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000079620325 542531923 /nfs/dbraw/zinc/53/19/23/542531923.db2.gz URYTUMKHBCGFBC-UHFFFAOYSA-N 1 3 368.566 2.252 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000079506016 542523007 /nfs/dbraw/zinc/52/30/07/542523007.db2.gz IGYYQQNFNUOION-SJORKVTESA-N 1 3 366.575 2.274 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000079506016 542523012 /nfs/dbraw/zinc/52/30/12/542523012.db2.gz IGYYQQNFNUOION-SJORKVTESA-N 1 3 366.575 2.274 20 0 FEADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000551704541 674159170 /nfs/dbraw/zinc/15/91/70/674159170.db2.gz XWTSOYVPHDKGBS-QFBILLFUSA-N 1 3 368.543 2.317 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@H]([NH+]4CCCC4)C3)CC2)c1 ZINC000081328587 542648896 /nfs/dbraw/zinc/64/88/96/542648896.db2.gz UYXITFUEKHBZCB-NRFANRHFSA-N 1 3 370.541 2.204 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c(F)cccc1F ZINC000087237314 542744096 /nfs/dbraw/zinc/74/40/96/542744096.db2.gz GSZULYIRBNHLJN-HNNXBMFYSA-N 1 3 353.457 2.382 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c(F)cccc1F ZINC000087237314 542744102 /nfs/dbraw/zinc/74/41/02/542744102.db2.gz GSZULYIRBNHLJN-HNNXBMFYSA-N 1 3 353.457 2.382 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CN1C1CC1 ZINC000093135958 542911410 /nfs/dbraw/zinc/91/14/10/542911410.db2.gz JYASSTDJEJTOGB-NVXWUHKLSA-N 1 3 357.502 2.222 20 0 FEADHO C[C@H](CNC(=O)NCC1CCN(c2ccncc2)CC1)C[NH+]1CCCC1 ZINC000093135028 542911519 /nfs/dbraw/zinc/91/15/19/542911519.db2.gz QGNRNZRQICIHFQ-QGZVFWFLSA-N 1 3 359.518 2.329 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(NC(C)=O)cc1 ZINC000101518579 543028636 /nfs/dbraw/zinc/02/86/36/543028636.db2.gz XVVSRAFPXPRRAP-IBGZPJMESA-N 1 3 360.502 2.133 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(NC(C)=O)cc1 ZINC000101518579 543028640 /nfs/dbraw/zinc/02/86/40/543028640.db2.gz XVVSRAFPXPRRAP-IBGZPJMESA-N 1 3 360.502 2.133 20 0 FEADHO C[C@@H](C(=O)NC1CCN(CCc2ccncc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101673847 543040388 /nfs/dbraw/zinc/04/03/88/543040388.db2.gz VUNWZOQUVXAHOE-KSZLIROESA-N 1 3 358.530 2.466 20 0 FEADHO C[C@@H](C(=O)NC1CCN(CCc2ccncc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101673847 543040391 /nfs/dbraw/zinc/04/03/91/543040391.db2.gz VUNWZOQUVXAHOE-KSZLIROESA-N 1 3 358.530 2.466 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC1CCN(C)CC1 ZINC000101771413 543044498 /nfs/dbraw/zinc/04/44/98/543044498.db2.gz LNGLHXFXDWXJMT-LJQANCHMSA-N 1 3 359.518 2.172 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC1CCN(C)CC1 ZINC000101771413 543044501 /nfs/dbraw/zinc/04/45/01/543044501.db2.gz LNGLHXFXDWXJMT-LJQANCHMSA-N 1 3 359.518 2.172 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106540151 543236085 /nfs/dbraw/zinc/23/60/85/543236085.db2.gz RBBHLODKWWZHKP-MOPGFXCFSA-N 1 3 358.530 2.475 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106540151 543236088 /nfs/dbraw/zinc/23/60/88/543236088.db2.gz RBBHLODKWWZHKP-MOPGFXCFSA-N 1 3 358.530 2.475 20 0 FEADHO C[C@H]([NH2+]C1(CNC(=O)NC[C@@H]2CCCN2C)CCOCC1)c1ccccc1 ZINC000113604348 543492638 /nfs/dbraw/zinc/49/26/38/543492638.db2.gz QXTBEVBLZBGJND-HKUYNNGSSA-N 1 3 374.529 2.280 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115813344 543587312 /nfs/dbraw/zinc/58/73/12/543587312.db2.gz HXRZWJWVVOPMAU-QGZVFWFLSA-N 1 3 362.518 2.110 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115813344 543587313 /nfs/dbraw/zinc/58/73/13/543587313.db2.gz HXRZWJWVVOPMAU-QGZVFWFLSA-N 1 3 362.518 2.110 20 0 FEADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000118777694 543658255 /nfs/dbraw/zinc/65/82/55/543658255.db2.gz ZKRJWQBIBARTNM-HXUWFJFHSA-N 1 3 373.541 2.311 20 0 FEADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CN1C1CC1 ZINC000124719156 543838834 /nfs/dbraw/zinc/83/88/34/543838834.db2.gz QPMRJJWFNDDEHP-WMZOPIPTSA-N 1 3 374.529 2.442 20 0 FEADHO CC[C@@H](C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)N(C)C ZINC000124771602 543841895 /nfs/dbraw/zinc/84/18/95/543841895.db2.gz ZKOCRQQANRMOFM-FQEVSTJZSA-N 1 3 360.546 2.354 20 0 FEADHO CCN(CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)C1CC1 ZINC000124846330 543846688 /nfs/dbraw/zinc/84/66/88/543846688.db2.gz OGHYCOUJKOXPKV-VQTJNVASSA-N 1 3 364.578 2.266 20 0 FEADHO CCN(CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)C1CC1 ZINC000124846330 543846691 /nfs/dbraw/zinc/84/66/91/543846691.db2.gz OGHYCOUJKOXPKV-VQTJNVASSA-N 1 3 364.578 2.266 20 0 FEADHO C[C@@H](CNC(=O)NCc1ccccc1OCCN(C)C)C[NH+]1CCCC1 ZINC000125294143 543873121 /nfs/dbraw/zinc/87/31/21/543873121.db2.gz ROEOLNOHABKZAG-KRWDZBQOSA-N 1 3 362.518 2.158 20 0 FEADHO COCc1ccccc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000126193015 543922884 /nfs/dbraw/zinc/92/28/84/543922884.db2.gz YKENOFCIGIIQSC-UHFFFAOYSA-N 1 3 374.529 2.191 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@@H]2CCCN(C)C2)CC1 ZINC000129133924 544092604 /nfs/dbraw/zinc/09/26/04/544092604.db2.gz UYLXSWWTPILRFH-IBGZPJMESA-N 1 3 368.566 2.108 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C(=O)NC[C@@H]2CCCN(C)C2)CC1 ZINC000129133924 544092606 /nfs/dbraw/zinc/09/26/06/544092606.db2.gz UYLXSWWTPILRFH-IBGZPJMESA-N 1 3 368.566 2.108 20 0 FEADHO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000129326566 544105212 /nfs/dbraw/zinc/10/52/12/544105212.db2.gz YQZDWUNUPONHNI-HZPDHXFCSA-N 1 3 350.532 2.478 20 0 FEADHO CCS(=O)(=O)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000133156293 544257925 /nfs/dbraw/zinc/25/79/25/544257925.db2.gz IXTUEPKXSQWCQF-UHFFFAOYSA-N 1 3 357.564 2.187 20 0 FEADHO CN(c1ccccc1CNCCSCCCO)C1CC[NH+](C)CC1 ZINC000133998603 544290551 /nfs/dbraw/zinc/29/05/51/544290551.db2.gz AMRPTMIPTWPMOS-UHFFFAOYSA-N 1 3 351.560 2.422 20 0 FEADHO CN(c1ccccc1C[NH2+]CCSCCCO)C1CCN(C)CC1 ZINC000133998603 544290554 /nfs/dbraw/zinc/29/05/54/544290554.db2.gz AMRPTMIPTWPMOS-UHFFFAOYSA-N 1 3 351.560 2.422 20 0 FEADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000150954581 544490381 /nfs/dbraw/zinc/49/03/81/544490381.db2.gz UPUZVXIYLKBOQG-MRXNPFEDSA-N 1 3 360.502 2.320 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000154949729 544969366 /nfs/dbraw/zinc/96/93/66/544969366.db2.gz XHOOVRFFYMKKBX-QGZVFWFLSA-N 1 3 362.518 2.406 20 0 FEADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000154949729 544969368 /nfs/dbraw/zinc/96/93/68/544969368.db2.gz XHOOVRFFYMKKBX-QGZVFWFLSA-N 1 3 362.518 2.406 20 0 FEADHO CN1CCN(Cc2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2)CC1 ZINC000155240253 545004574 /nfs/dbraw/zinc/00/45/74/545004574.db2.gz VGDITVNIARJISV-UHFFFAOYSA-N 1 3 359.514 2.209 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@@H]3CCCOC3)CC2)CC1 ZINC000553090938 674238505 /nfs/dbraw/zinc/23/85/05/674238505.db2.gz FHXMZEIWHWCRCX-KRWDZBQOSA-N 1 3 351.535 2.068 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000188246072 328075637 /nfs/dbraw/zinc/07/56/37/328075637.db2.gz QJRBIPGJPOZVPD-XLIONFOSSA-N 1 3 351.535 2.432 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2[nH]nc3c2CNCC3)cc1 ZINC000188712986 328106308 /nfs/dbraw/zinc/10/63/08/328106308.db2.gz HBUDBDMDYZUJCG-OAHLLOKOSA-N 1 3 367.497 2.360 20 0 FEADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2[nH]nc3c2CNCC3)cc1 ZINC000188712986 328106309 /nfs/dbraw/zinc/10/63/09/328106309.db2.gz HBUDBDMDYZUJCG-OAHLLOKOSA-N 1 3 367.497 2.360 20 0 FEADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000189433612 328148064 /nfs/dbraw/zinc/14/80/64/328148064.db2.gz KAOUGYDNGBKHDJ-IBGZPJMESA-N 1 3 372.513 2.164 20 0 FEADHO CC(C)N1CCN(CCC[NH+]2CCC(c3nnc4ccccn43)CC2)CC1 ZINC000191492016 328268209 /nfs/dbraw/zinc/26/82/09/328268209.db2.gz NRKRAUCNHFHJHD-UHFFFAOYSA-N 1 3 370.545 2.325 20 0 FEADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)C[C@H](C)O1 ZINC000191984213 328291831 /nfs/dbraw/zinc/29/18/31/328291831.db2.gz KNIKNQVWEXJTGE-JZXOWHBKSA-N 1 3 350.503 2.293 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)CC1 ZINC000192774451 328339017 /nfs/dbraw/zinc/33/90/17/328339017.db2.gz FHZLXAHJIIKBRB-SFHVURJKSA-N 1 3 360.550 2.209 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)CC1 ZINC000192774451 328339018 /nfs/dbraw/zinc/33/90/18/328339018.db2.gz FHZLXAHJIIKBRB-SFHVURJKSA-N 1 3 360.550 2.209 20 0 FEADHO CC[NH+](CC)[C@H](C)CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000077793594 325016746 /nfs/dbraw/zinc/01/67/46/325016746.db2.gz VSKWQVYMBGIABA-MRXNPFEDSA-N 1 3 356.580 2.378 20 0 FEADHO C[C@H](CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)[C@@H]1CCC[NH2+]C1 ZINC000237570179 328520596 /nfs/dbraw/zinc/52/05/96/328520596.db2.gz MYZNYJOSQNXXIH-HUUCEWRRSA-N 1 3 374.485 2.120 20 0 FEADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000085389956 325252671 /nfs/dbraw/zinc/25/26/71/325252671.db2.gz UUHXYTCVATZPNG-APWZRJJASA-N 1 3 362.518 2.109 20 0 FEADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000085389956 325252672 /nfs/dbraw/zinc/25/26/72/325252672.db2.gz UUHXYTCVATZPNG-APWZRJJASA-N 1 3 362.518 2.109 20 0 FEADHO CC[N@@H+]1CC[C@@H](NCCNC(=O)c2cccc(Br)c2)[C@H](C)C1 ZINC000089666067 325326374 /nfs/dbraw/zinc/32/63/74/325326374.db2.gz CYLGOGDZJTVZPK-CZUORRHYSA-N 1 3 368.319 2.499 20 0 FEADHO CC[N@H+]1CC[C@@H](NCCNC(=O)c2cccc(Br)c2)[C@H](C)C1 ZINC000089666067 325326376 /nfs/dbraw/zinc/32/63/76/325326376.db2.gz CYLGOGDZJTVZPK-CZUORRHYSA-N 1 3 368.319 2.499 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000119940573 326214151 /nfs/dbraw/zinc/21/41/51/326214151.db2.gz HUCLKQHLVGFKKX-SFHVURJKSA-N 1 3 374.529 2.328 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000119940573 326214153 /nfs/dbraw/zinc/21/41/53/326214153.db2.gz HUCLKQHLVGFKKX-SFHVURJKSA-N 1 3 374.529 2.328 20 0 FEADHO CC[C@H]1CN(Cc2ccccc2N2CCN(CC)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000120743054 326284031 /nfs/dbraw/zinc/28/40/31/326284031.db2.gz RJINQGLUPXSBIJ-CTNGQTDRSA-N 1 3 374.573 2.106 20 0 FEADHO CC[C@H]1CN(Cc2ccccc2N2CCN(CC)CC2)CC[N@H+]1C[C@@H](C)O ZINC000120743054 326284033 /nfs/dbraw/zinc/28/40/33/326284033.db2.gz RJINQGLUPXSBIJ-CTNGQTDRSA-N 1 3 374.573 2.106 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000121385054 326334755 /nfs/dbraw/zinc/33/47/55/326334755.db2.gz YRHHYAHOICULRW-IRXDYDNUSA-N 1 3 367.559 2.014 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000122226361 326388646 /nfs/dbraw/zinc/38/86/46/326388646.db2.gz YMTNOCXIVPLUJA-UHFFFAOYSA-N 1 3 368.481 2.065 20 0 FEADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000163248910 327046974 /nfs/dbraw/zinc/04/69/74/327046974.db2.gz IHRIEFLBYNWBPG-HOTGVXAUSA-N 1 3 351.516 2.219 20 0 FEADHO CN(C)CCn1c2cc(NC(=O)[C@H]3CCCCCC[C@H]3[NH3+])ccc2oc1=O ZINC000166618092 327082434 /nfs/dbraw/zinc/08/24/34/327082434.db2.gz WTUJGWAVKCBXMA-JKSUJKDBSA-N 1 3 374.485 2.392 20 0 FEADHO CSCC[C@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000168966115 327087687 /nfs/dbraw/zinc/08/76/87/327087687.db2.gz TWYQUVWTAYENKG-WBVHZDCISA-N 1 3 365.543 2.083 20 0 FEADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)CNC[C@@H]3CCCO3)cc2)CC1 ZINC000169206552 327088028 /nfs/dbraw/zinc/08/80/28/327088028.db2.gz JZFNCYOXCRDKDI-FQEVSTJZSA-N 1 3 374.529 2.172 20 0 FEADHO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000170969202 327110416 /nfs/dbraw/zinc/11/04/16/327110416.db2.gz BODKSPQHCRLTQO-SFHVURJKSA-N 1 3 358.530 2.289 20 0 FEADHO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000170969202 327110417 /nfs/dbraw/zinc/11/04/17/327110417.db2.gz BODKSPQHCRLTQO-SFHVURJKSA-N 1 3 358.530 2.289 20 0 FEADHO C[NH+]1CCC(CNC(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000171611980 327148143 /nfs/dbraw/zinc/14/81/43/327148143.db2.gz WAVSPSVXCYVFAU-UHFFFAOYSA-N 1 3 358.530 2.335 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171652612 327152097 /nfs/dbraw/zinc/15/20/97/327152097.db2.gz KSHWGDKLACQIRL-UXHICEINSA-N 1 3 358.530 2.429 20 0 FEADHO CC(C)[NH+]1CCC(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000172747551 327216819 /nfs/dbraw/zinc/21/68/19/327216819.db2.gz ZITDTPCIIJTXRJ-ROUUACIJSA-N 1 3 365.562 2.455 20 0 FEADHO Cc1ncsc1CCN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000172984333 327228197 /nfs/dbraw/zinc/22/81/97/327228197.db2.gz CMIAAAPLWGRCIO-UHFFFAOYSA-N 1 3 366.575 2.410 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000173567955 327266982 /nfs/dbraw/zinc/26/69/82/327266982.db2.gz JENYBPCKSIASJU-LJQANCHMSA-N 1 3 372.513 2.067 20 0 FEADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000173567955 327266983 /nfs/dbraw/zinc/26/69/83/327266983.db2.gz JENYBPCKSIASJU-LJQANCHMSA-N 1 3 372.513 2.067 20 0 FEADHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173997782 327300295 /nfs/dbraw/zinc/30/02/95/327300295.db2.gz FBINPICSCMGWCM-SFHVURJKSA-N 1 3 368.566 2.249 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000175402733 327390960 /nfs/dbraw/zinc/39/09/60/327390960.db2.gz XYXVDXIMQNZQHG-YQQQUEKLSA-N 1 3 374.529 2.442 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000175402733 327390962 /nfs/dbraw/zinc/39/09/62/327390962.db2.gz XYXVDXIMQNZQHG-YQQQUEKLSA-N 1 3 374.529 2.442 20 0 FEADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000175403618 327391143 /nfs/dbraw/zinc/39/11/43/327391143.db2.gz WXIWPGZTTUFHTC-SFHVURJKSA-N 1 3 362.518 2.253 20 0 FEADHO N[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178688067 327600510 /nfs/dbraw/zinc/60/05/10/327600510.db2.gz HQVXJSCXRBUYMC-NRFANRHFSA-N 1 3 351.494 2.380 20 0 FEADHO [NH3+]Cc1ccc(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000262628921 328877488 /nfs/dbraw/zinc/87/74/88/328877488.db2.gz GMXIFXXLBUSDCD-OAQYLSRUSA-N 1 3 367.493 2.321 20 0 FEADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000263199816 328924550 /nfs/dbraw/zinc/92/45/50/328924550.db2.gz IXSAMSHWKSAGPK-GHTZIAJQSA-N 1 3 372.513 2.230 20 0 FEADHO C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000264552981 329035036 /nfs/dbraw/zinc/03/50/36/329035036.db2.gz DDCFNHQPRLATGS-IBGZPJMESA-N 1 3 374.529 2.397 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000264552981 329035038 /nfs/dbraw/zinc/03/50/38/329035038.db2.gz DDCFNHQPRLATGS-IBGZPJMESA-N 1 3 374.529 2.397 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/c1cnc(C)s1 ZINC000264778197 329059510 /nfs/dbraw/zinc/05/95/10/329059510.db2.gz ONTZMHLCHNIZPX-ROJDOSBLSA-N 1 3 350.532 2.339 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/c1cnc(C)s1 ZINC000264778197 329059512 /nfs/dbraw/zinc/05/95/12/329059512.db2.gz ONTZMHLCHNIZPX-ROJDOSBLSA-N 1 3 350.532 2.339 20 0 FEADHO CCN1CCN(C[C@H](C)CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000264897432 329072556 /nfs/dbraw/zinc/07/25/56/329072556.db2.gz KYCOYHVJMMQBRU-LJQANCHMSA-N 1 3 372.557 2.286 20 0 FEADHO C[C@@H](CC(N)=O)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000267245635 329306710 /nfs/dbraw/zinc/30/67/10/329306710.db2.gz NKMNTLVCAHVTOG-SFHVURJKSA-N 1 3 366.509 2.362 20 0 FEADHO CC[C@H](C(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1)N(C)C ZINC000268791233 329456316 /nfs/dbraw/zinc/45/63/16/329456316.db2.gz BZOFWMVRBLYBHQ-QGZVFWFLSA-N 1 3 365.518 2.372 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC[C@@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000276233505 330131965 /nfs/dbraw/zinc/13/19/65/330131965.db2.gz NPUCYOSBZOEEAJ-CEWLAPEOSA-N 1 3 364.530 2.291 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC[C@@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000276233505 330131966 /nfs/dbraw/zinc/13/19/66/330131966.db2.gz NPUCYOSBZOEEAJ-CEWLAPEOSA-N 1 3 364.530 2.291 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NC[C@H](O)COCc2ccccc2)[C@H](C)C1 ZINC000276233507 330132056 /nfs/dbraw/zinc/13/20/56/330132056.db2.gz NPUCYOSBZOEEAJ-HLAWJBBLSA-N 1 3 364.530 2.291 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NC[C@H](O)COCc2ccccc2)[C@H](C)C1 ZINC000276233507 330132057 /nfs/dbraw/zinc/13/20/57/330132057.db2.gz NPUCYOSBZOEEAJ-HLAWJBBLSA-N 1 3 364.530 2.291 20 0 FEADHO CCN(CCC[NH+](CC)CC)C(=O)c1ccnc(OCCN(C)C)c1 ZINC000276400804 330148848 /nfs/dbraw/zinc/14/88/48/330148848.db2.gz GWBOLGNOEVTVJR-UHFFFAOYSA-N 1 3 350.507 2.216 20 0 FEADHO Cc1nnc([C@@H]2CC23CC[NH+](CCCN2CCN(C(C)C)CC2)CC3)o1 ZINC000367067081 330213160 /nfs/dbraw/zinc/21/31/60/330213160.db2.gz QBAVOJRAPSNYTO-SFHVURJKSA-N 1 3 361.534 2.364 20 0 FEADHO CCc1ccc([C@H](CNC(=O)CCCN2CCC([NH3+])CC2)N(C)C)cc1 ZINC000433137949 330272594 /nfs/dbraw/zinc/27/25/94/330272594.db2.gz QHGQWAZOJPJMGP-FQEVSTJZSA-N 1 3 360.546 2.171 20 0 FEADHO CC(C)[N@H+](CCN1CCCCCC1)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000553938850 674295566 /nfs/dbraw/zinc/29/55/66/674295566.db2.gz VDDGOTKZRUZZFS-ZCNNSNEGSA-N 1 3 355.567 2.043 20 0 FEADHO CC(C)[N@@H+](CCN1CCCCCC1)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000553938850 674295569 /nfs/dbraw/zinc/29/55/69/674295569.db2.gz VDDGOTKZRUZZFS-ZCNNSNEGSA-N 1 3 355.567 2.043 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000155517551 545535643 /nfs/dbraw/zinc/53/56/43/545535643.db2.gz LRSFFXCWZYASAG-GOSISDBHSA-N 1 3 374.529 2.171 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000155517551 545535646 /nfs/dbraw/zinc/53/56/46/545535646.db2.gz LRSFFXCWZYASAG-GOSISDBHSA-N 1 3 374.529 2.171 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000155665575 545556432 /nfs/dbraw/zinc/55/64/32/545556432.db2.gz IESNRUPYJKGZAF-ROUUACIJSA-N 1 3 358.530 2.490 20 0 FEADHO CN(C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000477407811 561144291 /nfs/dbraw/zinc/14/42/91/561144291.db2.gz PSHXXMDQIFRFEC-LJQANCHMSA-N 1 3 374.529 2.048 20 0 FEADHO COc1cccc(CN(CCN(C)C)C(=O)NCCC[NH+]2CCCC2)c1 ZINC000478435246 561166708 /nfs/dbraw/zinc/16/67/08/561166708.db2.gz LXIKEMAXUQJXFX-UHFFFAOYSA-N 1 3 362.518 2.254 20 0 FEADHO [NH3+]C[C@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)c1ccc(F)cc1 ZINC000479201297 561184354 /nfs/dbraw/zinc/18/43/54/561184354.db2.gz DDYYYODCJWXXLY-FQEVSTJZSA-N 1 3 371.456 2.463 20 0 FEADHO COCCC[NH+]1CCC(NC(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000171207554 546196580 /nfs/dbraw/zinc/19/65/80/546196580.db2.gz XEZUIFPUTVRSMJ-UHFFFAOYSA-N 1 3 368.566 2.251 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000479526673 561191200 /nfs/dbraw/zinc/19/12/00/561191200.db2.gz KEINCWBODZQDPX-LJQANCHMSA-N 1 3 351.922 2.307 20 0 FEADHO COc1cc(OC)cc(N2CC[C@@H](N(C)CCC3CC[NH2+]CC3)C2=O)c1 ZINC000479675944 561194707 /nfs/dbraw/zinc/19/47/07/561194707.db2.gz LDSXLKMZVJXYHO-LJQANCHMSA-N 1 3 361.486 2.131 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000175733960 546341299 /nfs/dbraw/zinc/34/12/99/546341299.db2.gz HFXCWJNEUATWDJ-MSOLQXFVSA-N 1 3 362.518 2.299 20 0 FEADHO Cc1nc(CCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cs1 ZINC000175959527 546379779 /nfs/dbraw/zinc/37/97/79/546379779.db2.gz SOYUQZZZHDCWLT-UHFFFAOYSA-N 1 3 364.559 2.449 20 0 FEADHO CN(C)[C@]1(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCSC1 ZINC000480259473 561205818 /nfs/dbraw/zinc/20/58/18/561205818.db2.gz FULAUUXANHWYRT-QUCCMNQESA-N 1 3 361.555 2.452 20 0 FEADHO CN(C)[C@]1(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCSC1 ZINC000480259473 561205819 /nfs/dbraw/zinc/20/58/19/561205819.db2.gz FULAUUXANHWYRT-QUCCMNQESA-N 1 3 361.555 2.452 20 0 FEADHO CC(C)[NH+]1CCC(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000176991643 546519366 /nfs/dbraw/zinc/51/93/66/546519366.db2.gz HSSQARQYQXVJAS-UHFFFAOYSA-N 1 3 373.541 2.380 20 0 FEADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000177852600 546696513 /nfs/dbraw/zinc/69/65/13/546696513.db2.gz LZXKHCSQTPHHAF-SFHVURJKSA-N 1 3 358.530 2.418 20 0 FEADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000177852600 546696517 /nfs/dbraw/zinc/69/65/17/546696517.db2.gz LZXKHCSQTPHHAF-SFHVURJKSA-N 1 3 358.530 2.418 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1nc(C)sc1C ZINC000481290741 561229741 /nfs/dbraw/zinc/22/97/41/561229741.db2.gz JYVRKUWCJZFOGU-MRXNPFEDSA-N 1 3 352.548 2.177 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1nc(C)sc1C ZINC000481290741 561229742 /nfs/dbraw/zinc/22/97/42/561229742.db2.gz JYVRKUWCJZFOGU-MRXNPFEDSA-N 1 3 352.548 2.177 20 0 FEADHO [NH3+]C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000178571167 546814237 /nfs/dbraw/zinc/81/42/37/546814237.db2.gz SCGVYXMORVMXGX-NVXWUHKLSA-N 1 3 355.404 2.248 20 0 FEADHO C[C@@H](CC(=O)NCc1ccccc1CN1CCC(O)CC1)C1CC[NH2+]CC1 ZINC000178832680 546858058 /nfs/dbraw/zinc/85/80/58/546858058.db2.gz XVIFJRKUIZPWGF-KRWDZBQOSA-N 1 3 373.541 2.285 20 0 FEADHO CN(C)[C@]1(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCSC1 ZINC000481800771 561242687 /nfs/dbraw/zinc/24/26/87/561242687.db2.gz LGGGHPZBLNFMJZ-WMZOPIPTSA-N 1 3 354.564 2.084 20 0 FEADHO CCO[C@@H]1C[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H]1OC ZINC000482506426 561255155 /nfs/dbraw/zinc/25/51/55/561255155.db2.gz ZGQPSVJEBRLHKD-HMXCVIKNSA-N 1 3 361.530 2.499 20 0 FEADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(-n2ccnc2)cc1 ZINC000482566410 561256111 /nfs/dbraw/zinc/25/61/11/561256111.db2.gz MBTDLUNBKXCFJS-SJLPKXTDSA-N 1 3 355.486 2.110 20 0 FEADHO CN1CCN(CCCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000184603847 547853565 /nfs/dbraw/zinc/85/35/65/547853565.db2.gz RZFLOCOWVLTPNY-UHFFFAOYSA-N 1 3 372.557 2.042 20 0 FEADHO CN1CCC[C@H](CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)[C@H]1c1cccs1 ZINC000485795705 561328194 /nfs/dbraw/zinc/32/81/94/561328194.db2.gz XXIDGSDFHFWQLP-IYOUNJFTSA-N 1 3 373.526 2.361 20 0 FEADHO CC(C)N1CCC([NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)CC1 ZINC000186712486 548178150 /nfs/dbraw/zinc/17/81/50/548178150.db2.gz ANSIHZZCYUMPNS-UHFFFAOYSA-N 1 3 369.506 2.328 20 0 FEADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190990338 548337985 /nfs/dbraw/zinc/33/79/85/548337985.db2.gz SKLKJIQQOSXEDC-SFHVURJKSA-N 1 3 351.535 2.258 20 0 FEADHO CCCCOC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000195181754 548591758 /nfs/dbraw/zinc/59/17/58/548591758.db2.gz FQYUJFASETUOIA-QWFCFKBJSA-N 1 3 356.551 2.375 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000195192941 548594210 /nfs/dbraw/zinc/59/42/10/548594210.db2.gz QIHDVBIFOKKVOT-UHFFFAOYSA-N 1 3 362.518 2.302 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)NCC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000236613178 548768633 /nfs/dbraw/zinc/76/86/33/548768633.db2.gz SBZXDNSVGZXSPS-SFHVURJKSA-N 1 3 358.530 2.337 20 0 FEADHO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000236924617 548789686 /nfs/dbraw/zinc/78/96/86/548789686.db2.gz PZLNBZOEVHZZJI-WBAXXEDZSA-N 1 3 360.502 2.165 20 0 FEADHO CN(C(=O)c1ccc(NC(=O)CC2CC[NH2+]CC2)cc1)[C@H]1CCCN(C)C1 ZINC000237186819 548806357 /nfs/dbraw/zinc/80/63/57/548806357.db2.gz IDPNZUAXLYVAIV-IBGZPJMESA-N 1 3 372.513 2.181 20 0 FEADHO O=C(NCC[NH2+]C1CC1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237783945 548851849 /nfs/dbraw/zinc/85/18/49/548851849.db2.gz DOZCNMIAPCLJQD-KRWDZBQOSA-N 1 3 355.404 2.309 20 0 FEADHO C[C@H](CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000487792106 561375901 /nfs/dbraw/zinc/37/59/01/561375901.db2.gz BIFJIPSHZNQJCK-RHQZKXFESA-N 1 3 350.551 2.479 20 0 FEADHO C[C@H](CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000487792106 561375902 /nfs/dbraw/zinc/37/59/02/561375902.db2.gz BIFJIPSHZNQJCK-RHQZKXFESA-N 1 3 350.551 2.479 20 0 FEADHO CCC[NH+]1CCC(CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000488600043 561392586 /nfs/dbraw/zinc/39/25/86/561392586.db2.gz PSXAJBVGGIWHHD-JENIJYKNSA-N 1 3 350.551 2.480 20 0 FEADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN(CCOC(C)C)CC2)[C@@H](C)C1 ZINC000246492952 549145202 /nfs/dbraw/zinc/14/52/02/549145202.db2.gz RXBAHNMZFUWVNN-PKOBYXMFSA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN(CCOC(C)C)CC2)[C@@H](C)C1 ZINC000246492952 549145204 /nfs/dbraw/zinc/14/52/04/549145204.db2.gz RXBAHNMZFUWVNN-PKOBYXMFSA-N 1 3 368.566 2.248 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000489149453 561404451 /nfs/dbraw/zinc/40/44/51/561404451.db2.gz PFUYDZMGOORDLF-JKSUJKDBSA-N 1 3 354.539 2.048 20 0 FEADHO CN1CCC[C@H]2C[N@H+](CCCCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000247987006 549398229 /nfs/dbraw/zinc/39/82/29/549398229.db2.gz IXJOBKWFVNCHAM-QFBILLFUSA-N 1 3 355.482 2.479 20 0 FEADHO CN1CCC[C@H]2C[N@@H+](CCCCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000247987006 549398231 /nfs/dbraw/zinc/39/82/31/549398231.db2.gz IXJOBKWFVNCHAM-QFBILLFUSA-N 1 3 355.482 2.479 20 0 FEADHO C[N@@H+]1CCC[C@H]2CN(CCCCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000247987006 549398234 /nfs/dbraw/zinc/39/82/34/549398234.db2.gz IXJOBKWFVNCHAM-QFBILLFUSA-N 1 3 355.482 2.479 20 0 FEADHO C[N@H+]1CCC[C@H]2CN(CCCCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000247987006 549398237 /nfs/dbraw/zinc/39/82/37/549398237.db2.gz IXJOBKWFVNCHAM-QFBILLFUSA-N 1 3 355.482 2.479 20 0 FEADHO CN(C)[C@H](CNC(=O)CN1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000249274709 549575941 /nfs/dbraw/zinc/57/59/41/549575941.db2.gz COYRIZFYXGVMOP-NHCUHLMSSA-N 1 3 372.557 2.356 20 0 FEADHO COCCO[C@@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000249774738 549627768 /nfs/dbraw/zinc/62/77/68/549627768.db2.gz KDAIZITVECKUCW-HXUWFJFHSA-N 1 3 361.530 2.454 20 0 FEADHO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000261622055 549735551 /nfs/dbraw/zinc/73/55/51/549735551.db2.gz GDPROUIDGLHQPN-OKZBNKHCSA-N 1 3 357.564 2.091 20 0 FEADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261670753 549740683 /nfs/dbraw/zinc/74/06/83/549740683.db2.gz LPXCBSMSXUJPRW-GXTWGEPZSA-N 1 3 359.392 2.433 20 0 FEADHO O=C(NC[C@H]1CCCN(Cc2ccc3ccccc3n2)C1)[C@H]1CCC[NH2+]1 ZINC000261887767 549766915 /nfs/dbraw/zinc/76/69/15/549766915.db2.gz QEBMKYIHSNJQOV-OXQOHEQNSA-N 1 3 352.482 2.315 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262429310 549819471 /nfs/dbraw/zinc/81/94/71/549819471.db2.gz STMBEPNMNYEXNO-GOSISDBHSA-N 1 3 373.476 2.151 20 0 FEADHO C[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)CC[NH2+]1 ZINC000262491432 549823994 /nfs/dbraw/zinc/82/39/94/549823994.db2.gz ZMSJNRVEAXOYDC-IEZWGBDMSA-N 1 3 372.513 2.179 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1(C)C ZINC000262789030 549849651 /nfs/dbraw/zinc/84/96/51/549849651.db2.gz NJBSIGXBGLWAAA-KNKQGSTJSA-N 1 3 373.541 2.200 20 0 FEADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1(C)C ZINC000262789030 549849654 /nfs/dbraw/zinc/84/96/54/549849654.db2.gz NJBSIGXBGLWAAA-KNKQGSTJSA-N 1 3 373.541 2.200 20 0 FEADHO C[C@@H]1C[C@@H](NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CN1Cc1ccccc1 ZINC000262871903 549857776 /nfs/dbraw/zinc/85/77/76/549857776.db2.gz XVPMXZCCYMQBKO-BHIYHBOVSA-N 1 3 367.497 2.200 20 0 FEADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000263116606 549878773 /nfs/dbraw/zinc/87/87/73/549878773.db2.gz APSKWXNVGYNPRE-NQIIRXRSSA-N 1 3 372.513 2.358 20 0 FEADHO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000263981917 549963334 /nfs/dbraw/zinc/96/33/34/549963334.db2.gz QKXBQQKTPNGNIZ-UHFFFAOYSA-N 1 3 362.518 2.315 20 0 FEADHO CCN1CCN(c2ccccc2C[NH2+]CC2(COC)CCOCC2)CC1 ZINC000491586069 561446798 /nfs/dbraw/zinc/44/67/98/561446798.db2.gz JPWJUJVEKZENOO-UHFFFAOYSA-N 1 3 361.530 2.361 20 0 FEADHO C[C@@H]1C[C@@H](N[C@H]2CCCN(S(C)(=O)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000269050258 550149286 /nfs/dbraw/zinc/14/92/86/550149286.db2.gz VSOVTYTUMNNOQU-NEWSRXKRSA-N 1 3 365.543 2.053 20 0 FEADHO C[C@@H]1C[C@@H](N[C@H]2CCCN(S(C)(=O)=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000269050258 550149287 /nfs/dbraw/zinc/14/92/87/550149287.db2.gz VSOVTYTUMNNOQU-NEWSRXKRSA-N 1 3 365.543 2.053 20 0 FEADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CNC[C@H]2CCCO2)cc1 ZINC000269222576 550169451 /nfs/dbraw/zinc/16/94/51/550169451.db2.gz AKKSZULJICBWQM-YLJYHZDGSA-N 1 3 359.514 2.446 20 0 FEADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CNC[C@H]2CCCO2)cc1 ZINC000269222576 550169452 /nfs/dbraw/zinc/16/94/52/550169452.db2.gz AKKSZULJICBWQM-YLJYHZDGSA-N 1 3 359.514 2.446 20 0 FEADHO CN(CCC[NH+]1CCN(C)CC1)Cc1ccc(Oc2ccccc2)nn1 ZINC000492757197 561452589 /nfs/dbraw/zinc/45/25/89/561452589.db2.gz PPUXOHSIGOLUBD-UHFFFAOYSA-N 1 3 355.486 2.338 20 0 FEADHO [NH3+]C1(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000269262055 550173833 /nfs/dbraw/zinc/17/38/33/550173833.db2.gz NISMROBJZCZBLO-UHFFFAOYSA-N 1 3 350.466 2.439 20 0 FEADHO O=C(C[C@@H]1C[NH2+]CCO1)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000269277265 550175859 /nfs/dbraw/zinc/17/58/59/550175859.db2.gz XZLXVSGLVAUXKN-QGZVFWFLSA-N 1 3 365.905 2.047 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)CC2)c1 ZINC000493537029 561456586 /nfs/dbraw/zinc/45/65/86/561456586.db2.gz PBXLZOZACHKZEV-CTNGQTDRSA-N 1 3 370.541 2.060 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)CC2)c1 ZINC000493537029 561456587 /nfs/dbraw/zinc/45/65/87/561456587.db2.gz PBXLZOZACHKZEV-CTNGQTDRSA-N 1 3 370.541 2.060 20 0 FEADHO CC(C)n1ncc2cc(CN(C)CCN(C)C3CC[NH+](C)CC3)cnc21 ZINC000271725147 550398057 /nfs/dbraw/zinc/39/80/57/550398057.db2.gz SHMIUPLPUCYVBW-UHFFFAOYSA-N 1 3 358.534 2.470 20 0 FEADHO CCN1CCN(CCC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272292798 550435214 /nfs/dbraw/zinc/43/52/14/550435214.db2.gz OHGRMJSGSPKWHZ-FPOVZHCZSA-N 1 3 372.557 2.041 20 0 FEADHO CCN1CCN(CCC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272292798 550435217 /nfs/dbraw/zinc/43/52/17/550435217.db2.gz OHGRMJSGSPKWHZ-FPOVZHCZSA-N 1 3 372.557 2.041 20 0 FEADHO Cc1ccc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c(OCC[NH+](C)C)c1 ZINC000272376381 550442084 /nfs/dbraw/zinc/44/20/84/550442084.db2.gz HETFYKAYLUVQLI-SJLPKXTDSA-N 1 3 360.502 2.493 20 0 FEADHO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000272385870 550443213 /nfs/dbraw/zinc/44/32/13/550443213.db2.gz GCBVSHYLHBMFMY-WOZUAGRISA-N 1 3 370.541 2.111 20 0 FEADHO CN1CC[C@H]2CCN(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)[C@@H]2C1 ZINC000272503452 550454258 /nfs/dbraw/zinc/45/42/58/550454258.db2.gz WBIHOIDMDYCLQT-PZJWPPBQSA-N 1 3 370.541 2.429 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000272534368 550456832 /nfs/dbraw/zinc/45/68/32/550456832.db2.gz FZZDRMTWOQUIMG-IMFGXOCKSA-N 1 3 371.529 2.343 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000272534368 550456834 /nfs/dbraw/zinc/45/68/34/550456834.db2.gz FZZDRMTWOQUIMG-IMFGXOCKSA-N 1 3 371.529 2.343 20 0 FEADHO C[C@H](NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C1=CCN(C)CC1 ZINC000272722737 550466682 /nfs/dbraw/zinc/46/66/82/550466682.db2.gz JGKKOEWJDQBKQW-INIZCTEOSA-N 1 3 356.514 2.035 20 0 FEADHO CC[C@@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1(C(=O)OC)CCC1 ZINC000272740634 550467758 /nfs/dbraw/zinc/46/77/58/550467758.db2.gz KXGCVQLRNBIPGH-RTBURBONSA-N 1 3 360.498 2.465 20 0 FEADHO CC[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1(C(=O)OC)CCC1 ZINC000272740628 550467823 /nfs/dbraw/zinc/46/78/23/550467823.db2.gz KXGCVQLRNBIPGH-MOPGFXCFSA-N 1 3 360.498 2.465 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000494452331 561470001 /nfs/dbraw/zinc/47/00/01/561470001.db2.gz NUHMINVQGDZIPL-IFMALSPDSA-N 1 3 371.525 2.233 20 0 FEADHO C[C@@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)C1=CCN(C)CC1 ZINC000272895154 550475716 /nfs/dbraw/zinc/47/57/16/550475716.db2.gz ZZUPVJSJOIATEI-MRXNPFEDSA-N 1 3 360.502 2.077 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000494554757 561471530 /nfs/dbraw/zinc/47/15/30/561471530.db2.gz XYLIWSYRTZJTKD-JXFKEZNVSA-N 1 3 359.514 2.103 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC[N@H+]1C ZINC000494554757 561471531 /nfs/dbraw/zinc/47/15/31/561471531.db2.gz XYLIWSYRTZJTKD-JXFKEZNVSA-N 1 3 359.514 2.103 20 0 FEADHO CC(C)[NH+]1CCC(N(C)CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000274689703 550549497 /nfs/dbraw/zinc/54/94/97/550549497.db2.gz ZRYLZIBTRXGBAO-HXUWFJFHSA-N 1 3 360.546 2.210 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)COc2ccccc2C)[C@H](C)C1 ZINC000274813933 550556834 /nfs/dbraw/zinc/55/68/34/550556834.db2.gz FAPYJZNIJQOFCY-AABGKKOBSA-N 1 3 364.530 2.461 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)COc2ccccc2C)[C@H](C)C1 ZINC000274813933 550556835 /nfs/dbraw/zinc/55/68/35/550556835.db2.gz FAPYJZNIJQOFCY-AABGKKOBSA-N 1 3 364.530 2.461 20 0 FEADHO CCN1CCN(Cc2ccccc2C[NH2+]CC2(OC)CCOCC2)CC1 ZINC000276972335 550617005 /nfs/dbraw/zinc/61/70/05/550617005.db2.gz FZLPNIVWEYICEJ-UHFFFAOYSA-N 1 3 361.530 2.109 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@H]([NH+](C)C)CC3)CC2)c1 ZINC000277150734 550637588 /nfs/dbraw/zinc/63/75/88/550637588.db2.gz INNUAYHFQJRAFM-HXUWFJFHSA-N 1 3 372.557 2.450 20 0 FEADHO C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000279322747 550877348 /nfs/dbraw/zinc/87/73/48/550877348.db2.gz SLESHEORSBQCII-DSKINZAPSA-N 1 3 373.541 2.296 20 0 FEADHO CN1CCN(CC[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1(C)C ZINC000282346924 551215210 /nfs/dbraw/zinc/21/52/10/551215210.db2.gz MNWZUCUSYSLTIZ-UHFFFAOYSA-N 1 3 362.909 2.036 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000497621831 561504971 /nfs/dbraw/zinc/50/49/71/561504971.db2.gz JOZFTJHPRCQDBI-FUHWJXTLSA-N 1 3 366.550 2.002 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000497621831 561504972 /nfs/dbraw/zinc/50/49/72/561504972.db2.gz JOZFTJHPRCQDBI-FUHWJXTLSA-N 1 3 366.550 2.002 20 0 FEADHO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H](N)CC(F)F)CC2)cc1 ZINC000498206670 561518507 /nfs/dbraw/zinc/51/85/07/561518507.db2.gz LDWZBUJVEFMUTG-MRXNPFEDSA-N 1 3 355.429 2.006 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccc(F)cc1F ZINC000499524581 561552911 /nfs/dbraw/zinc/55/29/11/561552911.db2.gz WGQWCTBNBFLDGX-INIZCTEOSA-N 1 3 369.456 2.218 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccc(F)cc1F ZINC000499524581 561552912 /nfs/dbraw/zinc/55/29/12/561552912.db2.gz WGQWCTBNBFLDGX-INIZCTEOSA-N 1 3 369.456 2.218 20 0 FEADHO C[C@@H](C(=O)Nc1cc(F)ccc1F)N(C)CCCN(C)CC[NH+](C)C ZINC000289561061 552340831 /nfs/dbraw/zinc/34/08/31/552340831.db2.gz XVCXXAWHHKWNNC-AWEZNQCLSA-N 1 3 356.461 2.107 20 0 FEADHO C[C@H](C(=O)Nc1cc(F)ccc1F)N(C)CCCN(C)CC[NH+](C)C ZINC000289561062 552340919 /nfs/dbraw/zinc/34/09/19/552340919.db2.gz XVCXXAWHHKWNNC-CQSZACIVSA-N 1 3 356.461 2.107 20 0 FEADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)C(C)(C)n2cncn2)CC1 ZINC000289679656 552360922 /nfs/dbraw/zinc/36/09/22/552360922.db2.gz JOCXZFWSLSOMHS-SFHVURJKSA-N 1 3 370.545 2.329 20 0 FEADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000290136885 552432961 /nfs/dbraw/zinc/43/29/61/552432961.db2.gz ZTYRLARTSUSORO-UYAOXDASSA-N 1 3 358.530 2.093 20 0 FEADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000290289256 552454615 /nfs/dbraw/zinc/45/46/15/552454615.db2.gz CZEJRZYFCWNHPV-MRXNPFEDSA-N 1 3 362.518 2.232 20 0 FEADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000290289256 552454618 /nfs/dbraw/zinc/45/46/18/552454618.db2.gz CZEJRZYFCWNHPV-MRXNPFEDSA-N 1 3 362.518 2.232 20 0 FEADHO C[N@H+](C[C@H](O)COCc1ccco1)CC1CCN(c2ccncc2)CC1 ZINC000501050108 561588640 /nfs/dbraw/zinc/58/86/40/561588640.db2.gz KVIRAUHVIKNDBI-IBGZPJMESA-N 1 3 359.470 2.401 20 0 FEADHO C[N@@H+](C[C@H](O)COCc1ccco1)CC1CCN(c2ccncc2)CC1 ZINC000501050108 561588641 /nfs/dbraw/zinc/58/86/41/561588641.db2.gz KVIRAUHVIKNDBI-IBGZPJMESA-N 1 3 359.470 2.401 20 0 FEADHO CC(C)[C@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)N1CCCCC1 ZINC000501145965 561591335 /nfs/dbraw/zinc/59/13/35/561591335.db2.gz ZOWFBYGYCVTKGZ-WOJBJXKFSA-N 1 3 364.578 2.125 20 0 FEADHO CC(C)[C@H](C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)N1CCCCC1 ZINC000501145965 561591336 /nfs/dbraw/zinc/59/13/36/561591336.db2.gz ZOWFBYGYCVTKGZ-WOJBJXKFSA-N 1 3 364.578 2.125 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCc4occc4C3)CC2)CC1 ZINC000291430380 552623741 /nfs/dbraw/zinc/62/37/41/552623741.db2.gz ZFGYPIBYOWFEDM-UHFFFAOYSA-N 1 3 360.502 2.296 20 0 FEADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000293322020 552811068 /nfs/dbraw/zinc/81/10/68/552811068.db2.gz IQWLPGQBVCDVJL-GOSISDBHSA-N 1 3 360.546 2.457 20 0 FEADHO CN(C)CCOc1cccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000293681202 552846790 /nfs/dbraw/zinc/84/67/90/552846790.db2.gz KIZDDODNMAILFS-UHFFFAOYSA-N 1 3 368.543 2.320 20 0 FEADHO C[C@H]1CN(c2ccc(C[NH2+]C3CCN(c4ccncc4)CC3)cn2)CCO1 ZINC000294146308 552885638 /nfs/dbraw/zinc/88/56/38/552885638.db2.gz GZMGOAWNGGAXOR-KRWDZBQOSA-N 1 3 367.497 2.460 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000297568297 553310061 /nfs/dbraw/zinc/31/00/61/553310061.db2.gz OGHXWBRVPNNWLO-OAQYLSRUSA-N 1 3 374.529 2.254 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000297568297 553310063 /nfs/dbraw/zinc/31/00/63/553310063.db2.gz OGHXWBRVPNNWLO-OAQYLSRUSA-N 1 3 374.529 2.254 20 0 FEADHO COC(=O)[C@]1(C)CN(CC[C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@H]1C ZINC000503200733 561636515 /nfs/dbraw/zinc/63/65/15/561636515.db2.gz ZRCNLQPCHRYYTO-SQOWSMRPSA-N 1 3 368.518 2.027 20 0 FEADHO COC(=O)[C@]1(C)CN(CC[C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@H]1C ZINC000503200733 561636516 /nfs/dbraw/zinc/63/65/16/561636516.db2.gz ZRCNLQPCHRYYTO-SQOWSMRPSA-N 1 3 368.518 2.027 20 0 FEADHO COC(=O)[C@]1(C)CN([C@H](C)CC[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@H]1C ZINC000503200733 561636517 /nfs/dbraw/zinc/63/65/17/561636517.db2.gz ZRCNLQPCHRYYTO-SQOWSMRPSA-N 1 3 368.518 2.027 20 0 FEADHO COC(=O)[C@]1(C)CN([C@H](C)CC[N@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@H]1C ZINC000503200733 561636518 /nfs/dbraw/zinc/63/65/18/561636518.db2.gz ZRCNLQPCHRYYTO-SQOWSMRPSA-N 1 3 368.518 2.027 20 0 FEADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)c1cc(Cl)c2c(c1)OCCO2 ZINC000298223387 553400144 /nfs/dbraw/zinc/40/01/44/553400144.db2.gz AQNPCFIWPISHKQ-INIZCTEOSA-N 1 3 352.862 2.361 20 0 FEADHO COc1ccc(OC)c([C@H](O)C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298578569 553443456 /nfs/dbraw/zinc/44/34/56/553443456.db2.gz XPHVFUOIZUBARP-LJQANCHMSA-N 1 3 357.454 2.391 20 0 FEADHO C[C@H](CNC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)N(C)C ZINC000298591846 553446073 /nfs/dbraw/zinc/44/60/73/553446073.db2.gz GJORXUVCPCDTKR-MRXNPFEDSA-N 1 3 374.529 2.456 20 0 FEADHO C[C@H](CNC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)N(C)C ZINC000298591846 553446074 /nfs/dbraw/zinc/44/60/74/553446074.db2.gz GJORXUVCPCDTKR-MRXNPFEDSA-N 1 3 374.529 2.456 20 0 FEADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000506535794 561701447 /nfs/dbraw/zinc/70/14/47/561701447.db2.gz UYRRHHUDESSXPS-RBBKRZOGSA-N 1 3 373.541 2.346 20 0 FEADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000506535794 561701448 /nfs/dbraw/zinc/70/14/48/561701448.db2.gz UYRRHHUDESSXPS-RBBKRZOGSA-N 1 3 373.541 2.346 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@H]3C(F)F)CC2)CC1 ZINC000507255510 561722660 /nfs/dbraw/zinc/72/26/60/561722660.db2.gz SRLZKYNWSFZLJQ-INIZCTEOSA-N 1 3 358.477 2.374 20 0 FEADHO C[C@@H]1NC(=O)N(CCN(C)[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000331849783 554330161 /nfs/dbraw/zinc/33/01/61/554330161.db2.gz CETDJVSTROEGQK-MJQMVNBJSA-N 1 3 372.513 2.015 20 0 FEADHO C[C@@H]1NC(=O)N(CCN(C)[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000331849783 554330164 /nfs/dbraw/zinc/33/01/64/554330164.db2.gz CETDJVSTROEGQK-MJQMVNBJSA-N 1 3 372.513 2.015 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000333119103 554575370 /nfs/dbraw/zinc/57/53/70/554575370.db2.gz AICYLKZXVGDDBV-CVEARBPZSA-N 1 3 354.564 2.035 20 0 FEADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333815388 554645949 /nfs/dbraw/zinc/64/59/49/554645949.db2.gz GNUKWHIOQVRHDN-CZAAIQMYSA-N 1 3 371.525 2.178 20 0 FEADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333817062 554646432 /nfs/dbraw/zinc/64/64/32/554646432.db2.gz QNOGNVMSBJDLEN-KCITZHQASA-N 1 3 366.550 2.035 20 0 FEADHO CN(Cc1ccccn1)[C@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333845410 554648950 /nfs/dbraw/zinc/64/89/50/554648950.db2.gz PBPCORCOZMRSEQ-MJGOQNOKSA-N 1 3 359.518 2.220 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000361035518 554901745 /nfs/dbraw/zinc/90/17/45/554901745.db2.gz NTGRJVWYGRZDDQ-UFYCRDLUSA-N 1 3 356.514 2.374 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000361035518 554901746 /nfs/dbraw/zinc/90/17/46/554901746.db2.gz NTGRJVWYGRZDDQ-UFYCRDLUSA-N 1 3 356.514 2.374 20 0 FEADHO CC(C)CSCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000361968896 554941340 /nfs/dbraw/zinc/94/13/40/554941340.db2.gz RRCHABAAASBVQA-UHFFFAOYSA-N 1 3 356.580 2.233 20 0 FEADHO CCOCCCNC(=O)[C@@H](C)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000362104633 554950127 /nfs/dbraw/zinc/95/01/27/554950127.db2.gz DIKVNPACGPQREH-IAGOWNOFSA-N 1 3 351.535 2.114 20 0 FEADHO CCOCCCNC(=O)[C@@H](C)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362104633 554950128 /nfs/dbraw/zinc/95/01/28/554950128.db2.gz DIKVNPACGPQREH-IAGOWNOFSA-N 1 3 351.535 2.114 20 0 FEADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](O)COc1ccc(F)cc1 ZINC000362802834 554989407 /nfs/dbraw/zinc/98/94/07/554989407.db2.gz QBUVFCTWKHHRGE-WSTLGDPDSA-N 1 3 366.477 2.044 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](O)COc1ccc(F)cc1 ZINC000362802834 554989409 /nfs/dbraw/zinc/98/94/09/554989409.db2.gz QBUVFCTWKHHRGE-WSTLGDPDSA-N 1 3 366.477 2.044 20 0 FEADHO Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCN(C3CCOCC3)CC2)cc1 ZINC000363452679 555109159 /nfs/dbraw/zinc/10/91/59/555109159.db2.gz KPFROMNKPCVZDH-FQEVSTJZSA-N 1 3 362.514 2.310 20 0 FEADHO Cc1ccc(OC[C@@H](O)C[N@H+](C)C2CCN(C3CCOCC3)CC2)cc1 ZINC000363452679 555109160 /nfs/dbraw/zinc/10/91/60/555109160.db2.gz KPFROMNKPCVZDH-FQEVSTJZSA-N 1 3 362.514 2.310 20 0 FEADHO COCCN(C)CCCNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000363475354 555114498 /nfs/dbraw/zinc/11/44/98/555114498.db2.gz WLKBJBXRLNUUFM-LJQANCHMSA-N 1 3 368.566 2.108 20 0 FEADHO Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000363642314 555153612 /nfs/dbraw/zinc/15/36/12/555153612.db2.gz YSNBBURZTRPDKX-FQEVSTJZSA-N 1 3 362.514 2.310 20 0 FEADHO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000363642314 555153609 /nfs/dbraw/zinc/15/36/09/555153609.db2.gz YSNBBURZTRPDKX-FQEVSTJZSA-N 1 3 362.514 2.310 20 0 FEADHO CC[N@H+](CCNC(=O)N(C)C1CCN(CCc2ccncc2)CC1)C1CC1 ZINC000364092301 555248127 /nfs/dbraw/zinc/24/81/27/555248127.db2.gz XDMRXMGFLSNYJV-UHFFFAOYSA-N 1 3 373.545 2.214 20 0 FEADHO CC[N@@H+](CCNC(=O)N(C)C1CCN(CCc2ccncc2)CC1)C1CC1 ZINC000364092301 555248128 /nfs/dbraw/zinc/24/81/28/555248128.db2.gz XDMRXMGFLSNYJV-UHFFFAOYSA-N 1 3 373.545 2.214 20 0 FEADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000364732966 555388464 /nfs/dbraw/zinc/38/84/64/555388464.db2.gz YYNNFJVVBQNNPS-DCXXXQMHSA-N 1 3 359.514 2.459 20 0 FEADHO C[NH+](C)CCNC(=O)C1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000512714085 561913309 /nfs/dbraw/zinc/91/33/09/561913309.db2.gz MGFABDBBTCUMFW-UHFFFAOYSA-N 1 3 373.526 2.095 20 0 FEADHO C[C@H](CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1)N1CCC[C@@H](C)C1 ZINC000365280866 555530865 /nfs/dbraw/zinc/53/08/65/555530865.db2.gz VIHQNPUVAGCCPI-QZTJIDSGSA-N 1 3 361.534 2.219 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000365321751 555541699 /nfs/dbraw/zinc/54/16/99/555541699.db2.gz HSDFTMIFJZIQLV-ZCNNSNEGSA-N 1 3 356.514 2.244 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000365321751 555541701 /nfs/dbraw/zinc/54/17/01/555541701.db2.gz HSDFTMIFJZIQLV-ZCNNSNEGSA-N 1 3 356.514 2.244 20 0 FEADHO C[C@@H](C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1)[C@@H](N)c1ccccc1 ZINC000366325305 555812602 /nfs/dbraw/zinc/81/26/02/555812602.db2.gz PJDGEPQWSOGBND-OXQOHEQNSA-N 1 3 359.514 2.424 20 0 FEADHO O=C(Nc1cccc2c1CCNC2)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000515046686 561993554 /nfs/dbraw/zinc/99/35/54/561993554.db2.gz VXLVIXNOOSBHBS-WOJBJXKFSA-N 1 3 372.513 2.222 20 0 FEADHO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCN2CCc2ccccc2)C1 ZINC000368410675 556300352 /nfs/dbraw/zinc/30/03/52/556300352.db2.gz CVRQPNAMKJQLNS-WOJBJXKFSA-N 1 3 358.530 2.287 20 0 FEADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000369028333 556481427 /nfs/dbraw/zinc/48/14/27/556481427.db2.gz WOFOIPUFASNJMX-UXHICEINSA-N 1 3 374.529 2.191 20 0 FEADHO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000515832491 562023080 /nfs/dbraw/zinc/02/30/80/562023080.db2.gz XXGLQIWXXXLICC-PKOBYXMFSA-N 1 3 363.502 2.095 20 0 FEADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000369400828 556591518 /nfs/dbraw/zinc/59/15/18/556591518.db2.gz JGXCDMODOPUFQB-NEWSRXKRSA-N 1 3 366.550 2.049 20 0 FEADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000369400828 556591520 /nfs/dbraw/zinc/59/15/20/556591520.db2.gz JGXCDMODOPUFQB-NEWSRXKRSA-N 1 3 366.550 2.049 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 ZINC000369651232 556658267 /nfs/dbraw/zinc/65/82/67/556658267.db2.gz XHSLICDXQJRNLB-HKUYNNGSSA-N 1 3 359.518 2.246 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000369747339 556684254 /nfs/dbraw/zinc/68/42/54/556684254.db2.gz AVEZYUDPSIPYRU-IBGZPJMESA-N 1 3 358.530 2.431 20 0 FEADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369746722 556684307 /nfs/dbraw/zinc/68/43/07/556684307.db2.gz VUQHQCADEQFDFA-UXHICEINSA-N 1 3 373.545 2.419 20 0 FEADHO O=C(NC1CCN(Cc2ccsc2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000369860811 556715056 /nfs/dbraw/zinc/71/50/56/556715056.db2.gz HUKJCURSJPDXKE-SFHVURJKSA-N 1 3 360.527 2.368 20 0 FEADHO Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000516468445 562044122 /nfs/dbraw/zinc/04/41/22/562044122.db2.gz VSVFQRCAMMDTQG-INIZCTEOSA-N 1 3 351.466 2.145 20 0 FEADHO CC1CC[NH+](CCCNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC000370051162 556767036 /nfs/dbraw/zinc/76/70/36/556767036.db2.gz BNGRSNSOMOKGQO-GOSISDBHSA-N 1 3 366.550 2.003 20 0 FEADHO c1cnn([C@H]2CCCN(CCOCC[N@@H+]3CCC[C@H](n4cccn4)C3)C2)c1 ZINC000370167302 556799426 /nfs/dbraw/zinc/79/94/26/556799426.db2.gz MMHUQTIRSIKVIN-PMACEKPBSA-N 1 3 372.517 2.070 20 0 FEADHO c1cnn([C@H]2CCCN(CCOCC[N@H+]3CCC[C@H](n4cccn4)C3)C2)c1 ZINC000370167302 556799431 /nfs/dbraw/zinc/79/94/31/556799431.db2.gz MMHUQTIRSIKVIN-PMACEKPBSA-N 1 3 372.517 2.070 20 0 FEADHO c1n[nH]cc1C1CCN(CCOCC[NH+]2CCC(c3cn[nH]c3)CC2)CC1 ZINC000370168066 556800508 /nfs/dbraw/zinc/80/05/08/556800508.db2.gz ZISRBTCHWBMZEA-UHFFFAOYSA-N 1 3 372.517 2.208 20 0 FEADHO Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000370263504 556824387 /nfs/dbraw/zinc/82/43/87/556824387.db2.gz YJPLWOFSWXVMAZ-NVXWUHKLSA-N 1 3 362.543 2.074 20 0 FEADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)CN1CCN(C)CC1 ZINC000370643868 556929070 /nfs/dbraw/zinc/92/90/70/556929070.db2.gz MAIROPZDHXCQNT-URVUXULASA-N 1 3 358.574 2.370 20 0 FEADHO CCN1CCc2c(cccc2NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000370707273 556945468 /nfs/dbraw/zinc/94/54/68/556945468.db2.gz HUPUOJSFDFGNMH-OAHLLOKOSA-N 1 3 374.529 2.096 20 0 FEADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccc(C(N)=O)cc1 ZINC000371153276 557090948 /nfs/dbraw/zinc/09/09/48/557090948.db2.gz AUPVDTGAZGSWIY-UHFFFAOYSA-N 1 3 372.557 2.414 20 0 FEADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000517412578 562089235 /nfs/dbraw/zinc/08/92/35/562089235.db2.gz AOGYLELVFQOGDO-VQTJNVASSA-N 1 3 356.514 2.380 20 0 FEADHO C[C@H](C(=O)Nc1cccc(F)c1)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258996 557122175 /nfs/dbraw/zinc/12/21/75/557122175.db2.gz FBUHEJCPHCRDPW-BEFAXECRSA-N 1 3 362.493 2.253 20 0 FEADHO Cc1c(C(=O)N[C@H]2CCCN(C3CCCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000371264170 557124228 /nfs/dbraw/zinc/12/42/28/557124228.db2.gz IYDPZBBNCWYSMC-INIZCTEOSA-N 1 3 374.533 2.038 20 0 FEADHO CN1CCC([NH+]2CCC(CCNC(=O)C[C@@H](N)c3ccccc3)CC2)CC1 ZINC000371279173 557129212 /nfs/dbraw/zinc/12/92/12/557129212.db2.gz GPIXYOWHNOSXMJ-OAQYLSRUSA-N 1 3 372.557 2.389 20 0 FEADHO C[NH+]1CCC2(CCCN2C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000371411516 557178043 /nfs/dbraw/zinc/17/80/43/557178043.db2.gz ACUFXTJLYSJYRV-UHFFFAOYSA-N 1 3 370.541 2.286 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000371606015 557237210 /nfs/dbraw/zinc/23/72/10/557237210.db2.gz SFBZBCAUGRVQRL-VQTJNVASSA-N 1 3 373.545 2.325 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000371606015 557237212 /nfs/dbraw/zinc/23/72/12/557237212.db2.gz SFBZBCAUGRVQRL-VQTJNVASSA-N 1 3 373.545 2.325 20 0 FEADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000371610115 557238682 /nfs/dbraw/zinc/23/86/82/557238682.db2.gz BGRBAPGEJRFFJX-VQTJNVASSA-N 1 3 357.498 2.290 20 0 FEADHO COCCN(CCN(C)C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000519171094 562126548 /nfs/dbraw/zinc/12/65/48/562126548.db2.gz FDDCSVOYOJYXRY-UHFFFAOYSA-N 1 3 362.518 2.002 20 0 FEADHO CN(C)CCOc1ccccc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000519549009 562134427 /nfs/dbraw/zinc/13/44/27/562134427.db2.gz XELOFKRKVXRBOQ-RBUKOAKNSA-N 1 3 371.456 2.333 20 0 FEADHO CN(C(=O)C[C@@H]1CCCC[C@H]1[NH3+])C1CCN(CCc2ccccn2)CC1 ZINC000519613815 562137177 /nfs/dbraw/zinc/13/71/77/562137177.db2.gz YSQUIRJNXKCMSA-FXAWDEMLSA-N 1 3 358.530 2.455 20 0 FEADHO [NH3+]C[C@H](NC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2)C1CC1 ZINC000519814581 562145059 /nfs/dbraw/zinc/14/50/59/562145059.db2.gz RIRTZWGACOJARG-FPOVZHCZSA-N 1 3 356.514 2.421 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000373191470 557647308 /nfs/dbraw/zinc/64/73/08/557647308.db2.gz QNIDZWQKOIIYMW-RBUKOAKNSA-N 1 3 350.551 2.480 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@@H]3CCCCO3)CC2)CC1 ZINC000520248991 562151822 /nfs/dbraw/zinc/15/18/22/562151822.db2.gz OAHQENFEFNUTSH-IBGZPJMESA-N 1 3 351.535 2.210 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3[C@@H]4CC[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000373434072 557692623 /nfs/dbraw/zinc/69/26/23/557692623.db2.gz DUUXFNKHKHHNFN-VJDPLVQDSA-N 1 3 356.514 2.311 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(CCc3ccc(O)cc3)CC2)C1 ZINC000520998162 562167362 /nfs/dbraw/zinc/16/73/62/562167362.db2.gz SLFNPFCSHYZWLA-IBGZPJMESA-N 1 3 359.514 2.234 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCC([NH2+]C3CCCC3)CC2)CCCO1 ZINC000375423091 558024246 /nfs/dbraw/zinc/02/42/46/558024246.db2.gz BZMRENDQDWRTBG-QGZVFWFLSA-N 1 3 366.550 2.194 20 0 FEADHO C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000521432799 562176364 /nfs/dbraw/zinc/17/63/64/562176364.db2.gz HIXIGMPNEZDRAG-JRGCBEDISA-N 1 3 355.526 2.398 20 0 FEADHO Cn1ccc(N2CC[C@H](NC3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC000375846232 558088285 /nfs/dbraw/zinc/08/82/85/558088285.db2.gz IBHZYLBRIJTABM-FQEVSTJZSA-N 1 3 353.514 2.296 20 0 FEADHO CO[C@H]1CCC[C@@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000376020898 558115123 /nfs/dbraw/zinc/11/51/23/558115123.db2.gz IIZFAQSEPBROHZ-APWZRJJASA-N 1 3 351.535 2.257 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000376189299 558138567 /nfs/dbraw/zinc/13/85/67/558138567.db2.gz CABOKYHFIPODEZ-BHIYHBOVSA-N 1 3 366.550 2.048 20 0 FEADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCCC[C@@H](CO)C1 ZINC000376499449 558181298 /nfs/dbraw/zinc/18/12/98/558181298.db2.gz FXUNIALYEYQFOS-AZUAARDMSA-N 1 3 373.541 2.250 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)NCC3CC[NH+](C)CC3)cc2)CC1 ZINC000376752383 558217269 /nfs/dbraw/zinc/21/72/69/558217269.db2.gz YPMIMXUURRXVTB-UHFFFAOYSA-N 1 3 374.529 2.301 20 0 FEADHO C[C@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000376810222 558224434 /nfs/dbraw/zinc/22/44/34/558224434.db2.gz GWHZVWRWLWLNJJ-PKOBYXMFSA-N 1 3 356.514 2.458 20 0 FEADHO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000376810222 558224435 /nfs/dbraw/zinc/22/44/35/558224435.db2.gz GWHZVWRWLWLNJJ-PKOBYXMFSA-N 1 3 356.514 2.458 20 0 FEADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000377513146 558354928 /nfs/dbraw/zinc/35/49/28/558354928.db2.gz RYAJINRPEFGMMB-WOJBJXKFSA-N 1 3 357.498 2.266 20 0 FEADHO CCCCC[C@H](C)NC(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378423948 558553571 /nfs/dbraw/zinc/55/35/71/558553571.db2.gz CUDSOHVXMFZMBP-PKOBYXMFSA-N 1 3 352.567 2.172 20 0 FEADHO CC(=O)N1CC[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)c2ccccc2C1 ZINC000378495023 558569809 /nfs/dbraw/zinc/56/98/09/558569809.db2.gz MBNCIFUCIYNCAN-OAQYLSRUSA-N 1 3 358.530 2.096 20 0 FEADHO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000378497830 558570022 /nfs/dbraw/zinc/57/00/22/558570022.db2.gz RPTWDKRSGMOXJI-CUWPLCDZSA-N 1 3 371.525 2.267 20 0 FEADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000523647074 562216526 /nfs/dbraw/zinc/21/65/26/562216526.db2.gz GCUNAHPIVWXRMO-QGZVFWFLSA-N 1 3 362.518 2.157 20 0 FEADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000523647074 562216527 /nfs/dbraw/zinc/21/65/27/562216527.db2.gz GCUNAHPIVWXRMO-QGZVFWFLSA-N 1 3 362.518 2.157 20 0 FEADHO N#Cc1ccccc1OC[C@@H](O)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380129477 558602485 /nfs/dbraw/zinc/60/24/85/558602485.db2.gz SNQDHYRALGEUPB-FPOVZHCZSA-N 1 3 365.477 2.410 20 0 FEADHO N#Cc1ccccc1OC[C@@H](O)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380129477 558602486 /nfs/dbraw/zinc/60/24/86/558602486.db2.gz SNQDHYRALGEUPB-FPOVZHCZSA-N 1 3 365.477 2.410 20 0 FEADHO C[NH+](C)CC1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000523953955 562222300 /nfs/dbraw/zinc/22/23/00/562222300.db2.gz IEIJHEGLJHDUCG-UHFFFAOYSA-N 1 3 372.557 2.389 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cc2c(s1)CCCC2 ZINC000524903547 562237435 /nfs/dbraw/zinc/23/74/35/562237435.db2.gz SRWHFNVNYYASHS-UHFFFAOYSA-N 1 3 352.548 2.262 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)ccc1C[NH+](C)C ZINC000411139227 558843993 /nfs/dbraw/zinc/84/39/93/558843993.db2.gz VZAJGUIJHXDKCL-DOTOQJQBSA-N 1 3 374.529 2.232 20 0 FEADHO NS(=O)(=O)C[C@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411308531 558873286 /nfs/dbraw/zinc/87/32/86/558873286.db2.gz OPJCBFGDKTYDQK-IBGZPJMESA-N 1 3 365.543 2.173 20 0 FEADHO Cc1cc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)ccc1CN(C)C ZINC000411506473 558907579 /nfs/dbraw/zinc/90/75/79/558907579.db2.gz YETVPKYCECOIDT-UHFFFAOYSA-N 1 3 372.513 2.128 20 0 FEADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)ccc1C[NH+](C)C ZINC000411527037 558910896 /nfs/dbraw/zinc/91/08/96/558910896.db2.gz DGYXMGHIFQNHHT-VQIMIIECSA-N 1 3 372.513 2.080 20 0 FEADHO CN1CCC[C@@H](CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000525982476 562262056 /nfs/dbraw/zinc/26/20/56/562262056.db2.gz BBVMKGLFIVSQIZ-SLFFLAALSA-N 1 3 356.514 2.102 20 0 FEADHO CN1CCC[C@@H](CNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000525982476 562262057 /nfs/dbraw/zinc/26/20/57/562262057.db2.gz BBVMKGLFIVSQIZ-SLFFLAALSA-N 1 3 356.514 2.102 20 0 FEADHO CC1CC[NH+](C[C@H](O)CNC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412079608 559010957 /nfs/dbraw/zinc/01/09/57/559010957.db2.gz VBMIFVUVUNBZJO-OAQYLSRUSA-N 1 3 373.541 2.495 20 0 FEADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[C@@H](C)C1 ZINC000412359320 559030692 /nfs/dbraw/zinc/03/06/92/559030692.db2.gz JZLZEUVOEYYTKC-ISARSNTHSA-N 1 3 365.587 2.393 20 0 FEADHO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000526086184 562266628 /nfs/dbraw/zinc/26/66/28/562266628.db2.gz NHVHHALCLVXHNV-UHFFFAOYSA-N 1 3 374.529 2.062 20 0 FEADHO Cc1[nH+]c2ccccc2c(NCC2(N3CCOCC3)CCN(C)CC2)c1C ZINC000413480382 559110988 /nfs/dbraw/zinc/11/09/88/559110988.db2.gz LSCVHDXDKFCADV-UHFFFAOYSA-N 1 3 368.525 2.482 20 0 FEADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000414191452 559152410 /nfs/dbraw/zinc/15/24/10/559152410.db2.gz SMMAZFZGMDGJSB-JKSUJKDBSA-N 1 3 353.532 2.319 20 0 FEADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000414191452 559152411 /nfs/dbraw/zinc/15/24/11/559152411.db2.gz SMMAZFZGMDGJSB-JKSUJKDBSA-N 1 3 353.532 2.319 20 0 FEADHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C(C)(C)n1cncn1 ZINC000414313600 559155741 /nfs/dbraw/zinc/15/57/41/559155741.db2.gz YSJFSHNSURNFPS-QGZVFWFLSA-N 1 3 357.502 2.018 20 0 FEADHO CC1CCN(C(=[NH2+])NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 ZINC000414360766 559158593 /nfs/dbraw/zinc/15/85/93/559158593.db2.gz OJOCMBREDWMPMJ-UHFFFAOYSA-N 1 3 371.529 2.140 20 0 FEADHO COc1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1Cl ZINC000414491985 559168398 /nfs/dbraw/zinc/16/83/98/559168398.db2.gz ZYDHXYGEWLVJOJ-UHFFFAOYSA-N 1 3 367.921 2.235 20 0 FEADHO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)c(OC)c1 ZINC000414684770 559179389 /nfs/dbraw/zinc/17/93/89/559179389.db2.gz WQZJKHPKHPAGOX-QAPCUYQASA-N 1 3 361.486 2.038 20 0 FEADHO COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)c(OC)c1 ZINC000414684770 559179391 /nfs/dbraw/zinc/17/93/91/559179391.db2.gz WQZJKHPKHPAGOX-QAPCUYQASA-N 1 3 361.486 2.038 20 0 FEADHO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000414684960 559179424 /nfs/dbraw/zinc/17/94/24/559179424.db2.gz XQIOCZQCQDGEHU-RDJZCZTQSA-N 1 3 361.486 2.038 20 0 FEADHO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000414684960 559179426 /nfs/dbraw/zinc/17/94/26/559179426.db2.gz XQIOCZQCQDGEHU-RDJZCZTQSA-N 1 3 361.486 2.038 20 0 FEADHO C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)CCN1Cc1ccccc1 ZINC000414696458 559180536 /nfs/dbraw/zinc/18/05/36/559180536.db2.gz PJJBJUAWBLSROE-HLAWJBBLSA-N 1 3 372.557 2.169 20 0 FEADHO C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)CCN1Cc1ccccc1 ZINC000414696458 559180537 /nfs/dbraw/zinc/18/05/37/559180537.db2.gz PJJBJUAWBLSROE-HLAWJBBLSA-N 1 3 372.557 2.169 20 0 FEADHO CNCc1ccccc1NC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000414699342 559180611 /nfs/dbraw/zinc/18/06/11/559180611.db2.gz YFTHICZNHKIBCI-IAGOWNOFSA-N 1 3 374.529 2.219 20 0 FEADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414738257 559183694 /nfs/dbraw/zinc/18/36/94/559183694.db2.gz HTVBZKLUXDNURC-GJZGRUSLSA-N 1 3 372.513 2.101 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000414754621 559185251 /nfs/dbraw/zinc/18/52/51/559185251.db2.gz NYASQCALFFQIOP-YESZJQIVSA-N 1 3 374.529 2.217 20 0 FEADHO C[C@@H]1C[C@@H](CN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC000414761368 559185916 /nfs/dbraw/zinc/18/59/16/559185916.db2.gz SWDUULOBVOREEE-CVEARBPZSA-N 1 3 364.921 2.284 20 0 FEADHO Cc1ccccc1NC(=O)C[C@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414971379 559198017 /nfs/dbraw/zinc/19/80/17/559198017.db2.gz IHICZYGYYOHQJO-GOEBONIOSA-N 1 3 372.435 2.138 20 0 FEADHO Fc1ccc(-c2n[nH]cc2CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414997198 559199671 /nfs/dbraw/zinc/19/96/71/559199671.db2.gz YHCQLYAJXNAJSW-OAHLLOKOSA-N 1 3 371.382 2.142 20 0 FEADHO CCOC1CC(CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)(N2CCOCC2)C1 ZINC000415094183 559204715 /nfs/dbraw/zinc/20/47/15/559204715.db2.gz DGJLFQURIHZVBH-VCAKUFKGSA-N 1 3 353.551 2.157 20 0 FEADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)c1 ZINC000415107337 559205512 /nfs/dbraw/zinc/20/55/12/559205512.db2.gz JBZQOIWDCBYPGG-IBGZPJMESA-N 1 3 372.513 2.212 20 0 FEADHO O=C1N[C@H]2CN(CCSCc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415132938 559207225 /nfs/dbraw/zinc/20/72/25/559207225.db2.gz BLCKJEGJDNAQRR-OALUTQOASA-N 1 3 374.554 2.140 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000415270191 559219929 /nfs/dbraw/zinc/21/99/29/559219929.db2.gz POXIZPOKAICBTL-INIZCTEOSA-N 1 3 372.513 2.067 20 0 FEADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000415286589 559221169 /nfs/dbraw/zinc/22/11/69/559221169.db2.gz UORLWCUCYSNLLS-SFHVURJKSA-N 1 3 372.513 2.069 20 0 FEADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000415297545 559221940 /nfs/dbraw/zinc/22/19/40/559221940.db2.gz VXDCHYQHFDRGDA-UHFFFAOYSA-N 1 3 360.502 2.245 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415445537 559237731 /nfs/dbraw/zinc/23/77/31/559237731.db2.gz HZYQWFFUQWIPLZ-GOSISDBHSA-N 1 3 360.502 2.019 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])c2)CC1 ZINC000415498237 559243750 /nfs/dbraw/zinc/24/37/50/559243750.db2.gz MNNXFZSFTANROA-APWZRJJASA-N 1 3 359.518 2.420 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415938594 559283647 /nfs/dbraw/zinc/28/36/47/559283647.db2.gz PGFAIBZARYFGCU-SFHVURJKSA-N 1 3 356.470 2.319 20 0 FEADHO [NH3+]Cc1ccc(NC(=O)NCc2ccccc2CN2CCC[C@@H]2CO)cc1 ZINC000415961672 559285220 /nfs/dbraw/zinc/28/52/20/559285220.db2.gz RVMJPUNVJAFHEB-HXUWFJFHSA-N 1 3 368.481 2.424 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CN1Cc1ccccc1 ZINC000416010270 559289092 /nfs/dbraw/zinc/28/90/92/559289092.db2.gz QAIOKOWEGFAHSD-SNPRPXQTSA-N 1 3 358.408 2.228 20 0 FEADHO COc1ccc([C@@H](CNC(=O)NCC[C@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000416827073 559334044 /nfs/dbraw/zinc/33/40/44/559334044.db2.gz QRJHTZBRIWJFBP-VQIMIIECSA-N 1 3 360.502 2.131 20 0 FEADHO CCN(CC)[C@H](CNC(=O)NC[C@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000416832459 559334288 /nfs/dbraw/zinc/33/42/88/559334288.db2.gz BOYAODYUICCEEW-QUCCMNQESA-N 1 3 362.518 2.137 20 0 FEADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000416838078 559334519 /nfs/dbraw/zinc/33/45/19/559334519.db2.gz IRXDPHAQBACACO-VQTJNVASSA-N 1 3 356.514 2.435 20 0 FEADHO COc1cccc([C@H](CNC(=O)NCCC[NH2+]C2CC2)N2CCCC2)c1 ZINC000416855076 559335374 /nfs/dbraw/zinc/33/53/74/559335374.db2.gz PUASHJYCNZCVJN-IBGZPJMESA-N 1 3 360.502 2.273 20 0 FEADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN[C@H](C)[C@@H]1C)c1cccc(OC)c1 ZINC000416918904 559338405 /nfs/dbraw/zinc/33/84/05/559338405.db2.gz JOVHAQQSEPXETC-JTDSTZFVSA-N 1 3 362.518 2.470 20 0 FEADHO CC[NH2+]CC1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)CC1 ZINC000416971883 559341027 /nfs/dbraw/zinc/34/10/27/559341027.db2.gz QNNFWTIMTDFCTI-UHFFFAOYSA-N 1 3 362.518 2.158 20 0 FEADHO C[C@@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000416970940 559341081 /nfs/dbraw/zinc/34/10/81/559341081.db2.gz FWAFRLRSPNBHBR-XLIONFOSSA-N 1 3 358.530 2.462 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000416974332 559341298 /nfs/dbraw/zinc/34/12/98/559341298.db2.gz WXTMSRFSJGFSEM-UHFFFAOYSA-N 1 3 368.481 2.230 20 0 FEADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000416978406 559341594 /nfs/dbraw/zinc/34/15/94/559341594.db2.gz QYLSPIBWJWMGOW-NRFANRHFSA-N 1 3 356.514 2.089 20 0 FEADHO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCN[C@H](C)[C@@H]2C)cc1 ZINC000416990985 559342467 /nfs/dbraw/zinc/34/24/67/559342467.db2.gz NRFKADGOQFQYMQ-SJORKVTESA-N 1 3 362.518 2.299 20 0 FEADHO CC[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccccc2C1 ZINC000417009771 559343599 /nfs/dbraw/zinc/34/35/99/559343599.db2.gz KVNCRWGAEDNNCG-DFQSSKMNSA-N 1 3 356.514 2.074 20 0 FEADHO CC[NH2+]CC1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000417028485 559344619 /nfs/dbraw/zinc/34/46/19/559344619.db2.gz OHQAFTXJCYGNBW-UHFFFAOYSA-N 1 3 358.530 2.466 20 0 FEADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000417219434 559353650 /nfs/dbraw/zinc/35/36/50/559353650.db2.gz JJLGBHMWDWFRNA-LMCOJAPRSA-N 1 3 356.514 2.463 20 0 FEADHO C[C@H]1CCC[C@](CNC(=O)NCCCNCc2cccnc2)([NH+](C)C)C1 ZINC000417218960 559353657 /nfs/dbraw/zinc/35/36/57/559353657.db2.gz UTLVBOMZHHVNTO-PXNSSMCTSA-N 1 3 361.534 2.371 20 0 FEADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCCNCc1cccnc1 ZINC000417256206 559354993 /nfs/dbraw/zinc/35/49/93/559354993.db2.gz RPQUTDGLSOXLGT-KURKYZTESA-N 1 3 361.534 2.227 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)N3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000417328144 559357836 /nfs/dbraw/zinc/35/78/36/559357836.db2.gz HZXNTWRLHUPQCD-GOSISDBHSA-N 1 3 360.502 2.040 20 0 FEADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)N2CCCC2)cc1 ZINC000417350752 559358742 /nfs/dbraw/zinc/35/87/42/559358742.db2.gz BCWDNKOLOMZTBH-ZCNNSNEGSA-N 1 3 356.514 2.383 20 0 FEADHO COCCCN1CCC(NC(=O)N(CCC[NH3+])CC2CCCC2)CC1 ZINC000417437568 559362203 /nfs/dbraw/zinc/36/22/03/559362203.db2.gz HKVHZRCEVQYOAQ-UHFFFAOYSA-N 1 3 354.539 2.038 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000417488504 559364095 /nfs/dbraw/zinc/36/40/95/559364095.db2.gz CXIHBZLJBISZCK-QRQLOZEOSA-N 1 3 362.518 2.123 20 0 FEADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417593226 559368679 /nfs/dbraw/zinc/36/86/79/559368679.db2.gz KHQVIKWBBXCHJJ-RBUKOAKNSA-N 1 3 374.529 2.478 20 0 FEADHO CN(C)C1(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)Cc2ccccc2C1 ZINC000417736989 559374657 /nfs/dbraw/zinc/37/46/57/559374657.db2.gz NHCNGBQRXCZSFF-HXUWFJFHSA-N 1 3 370.541 2.259 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000417807800 559377214 /nfs/dbraw/zinc/37/72/14/559377214.db2.gz KQHHCQAQDXRAJD-UHFFFAOYSA-N 1 3 362.518 2.046 20 0 FEADHO CN1CC[C@H](NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[C@@H]1c1ccccc1 ZINC000417932318 559382282 /nfs/dbraw/zinc/38/22/82/559382282.db2.gz CRYYNLGIKRGYLK-FYQPLNBISA-N 1 3 356.514 2.463 20 0 FEADHO C[C@]1(CNC(=O)N[C@H](CC[NH3+])C(F)F)CCCN1Cc1ccccc1 ZINC000418035244 559387427 /nfs/dbraw/zinc/38/74/27/559387427.db2.gz AEIDGAGIIWRXEJ-CRAIPNDOSA-N 1 3 354.445 2.323 20 0 FEADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418107980 559390332 /nfs/dbraw/zinc/39/03/32/559390332.db2.gz QGMYDOOLCILRPF-SLTAFYQDSA-N 1 3 362.440 2.185 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCCO1 ZINC000418120188 559390837 /nfs/dbraw/zinc/39/08/37/559390837.db2.gz VLEUHQIJRUJVGP-MJGOQNOKSA-N 1 3 362.518 2.267 20 0 FEADHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418194828 559393674 /nfs/dbraw/zinc/39/36/74/559393674.db2.gz FSRUXTMQVAWHRT-IEBWSBKVSA-N 1 3 362.518 2.470 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)N(C)C)cc1 ZINC000418216163 559394175 /nfs/dbraw/zinc/39/41/75/559394175.db2.gz ZFDYSJHKVPWJKB-HOTGVXAUSA-N 1 3 372.460 2.358 20 0 FEADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)C1 ZINC000418234743 559394934 /nfs/dbraw/zinc/39/49/34/559394934.db2.gz QXDQEDYGDMZVLR-WBVHZDCISA-N 1 3 350.532 2.405 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)N(C)C)cc1 ZINC000418233062 559394938 /nfs/dbraw/zinc/39/49/38/559394938.db2.gz NVRLWOUYDXBFTC-HUUCEWRRSA-N 1 3 372.485 2.308 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000418240528 559395180 /nfs/dbraw/zinc/39/51/80/559395180.db2.gz ZQZDITKJQVKGBE-BQFCYCMXSA-N 1 3 362.543 2.262 20 0 FEADHO CCc1ccccc1[C@@H](N)CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418333870 559397885 /nfs/dbraw/zinc/39/78/85/559397885.db2.gz VVVNZKNWVLDCDK-IBGZPJMESA-N 1 3 355.486 2.123 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418399265 559400204 /nfs/dbraw/zinc/40/02/04/559400204.db2.gz DPYRZKRZJPJTCU-FUHWJXTLSA-N 1 3 350.482 2.416 20 0 FEADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418546669 559405692 /nfs/dbraw/zinc/40/56/92/559405692.db2.gz QOVKEALUAPIYKX-CTNGQTDRSA-N 1 3 373.545 2.467 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418546994 559405697 /nfs/dbraw/zinc/40/56/97/559405697.db2.gz INDYOSJVUGXHMU-MOPGFXCFSA-N 1 3 359.518 2.220 20 0 FEADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000418550069 559405849 /nfs/dbraw/zinc/40/58/49/559405849.db2.gz NWBXBGDFJASVED-JKSUJKDBSA-N 1 3 365.547 2.057 20 0 FEADHO O=C(NCC[C@H]1CCC[NH2+]1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000418550680 559405858 /nfs/dbraw/zinc/40/58/58/559405858.db2.gz OKCJXRLJRPADBD-VAMGGRTRSA-N 1 3 356.514 2.292 20 0 FEADHO CC(C)N(CCN(C)C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418556471 559406109 /nfs/dbraw/zinc/40/61/09/559406109.db2.gz AMGLXKPTMJCSKZ-MAUKXSAKSA-N 1 3 368.472 2.392 20 0 FEADHO CN(CCN1CCCC1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418574858 559406774 /nfs/dbraw/zinc/40/67/74/559406774.db2.gz WASRHRXXEZVFIJ-QAPCUYQASA-N 1 3 366.456 2.148 20 0 FEADHO O=C(NCCC1=CC[NH2+]CC1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000418604540 559407538 /nfs/dbraw/zinc/40/75/38/559407538.db2.gz RAHZVDIZHOYBQN-NHCUHLMSSA-N 1 3 368.525 2.460 20 0 FEADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418604935 559407563 /nfs/dbraw/zinc/40/75/63/559407563.db2.gz YCSFOKIVTYLLIR-LMNJBCLMSA-N 1 3 356.514 2.292 20 0 FEADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418630223 559408574 /nfs/dbraw/zinc/40/85/74/559408574.db2.gz FAOWOIHBLDABRB-FQEVSTJZSA-N 1 3 362.518 2.048 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418663620 559410369 /nfs/dbraw/zinc/41/03/69/559410369.db2.gz YETBXZZMDNMWTF-RBUKOAKNSA-N 1 3 362.493 2.287 20 0 FEADHO CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418765511 559414778 /nfs/dbraw/zinc/41/47/78/559414778.db2.gz ORUVMFFXEHSCRD-IAGOWNOFSA-N 1 3 366.456 2.290 20 0 FEADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCC3(N(C)C)CC3)cc2)C1 ZINC000419815368 559460755 /nfs/dbraw/zinc/46/07/55/559460755.db2.gz PNOQBLPVUBDBOW-INIZCTEOSA-N 1 3 372.513 2.067 20 0 FEADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCC3(N(C)C)CC3)cc2)C1 ZINC000419815368 559460756 /nfs/dbraw/zinc/46/07/56/559460756.db2.gz PNOQBLPVUBDBOW-INIZCTEOSA-N 1 3 372.513 2.067 20 0 FEADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420321338 559480283 /nfs/dbraw/zinc/48/02/83/559480283.db2.gz RAFSXHLIBSAGNA-IAGOWNOFSA-N 1 3 362.493 2.160 20 0 FEADHO CCOc1ccc(CN(C)C(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420338967 559481803 /nfs/dbraw/zinc/48/18/03/559481803.db2.gz LCPPLSOJVQXZQZ-OALUTQOASA-N 1 3 359.514 2.365 20 0 FEADHO Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420345787 559482016 /nfs/dbraw/zinc/48/20/16/559482016.db2.gz WQVFVFLAMIOWNX-IRXDYDNUSA-N 1 3 358.486 2.273 20 0 FEADHO COc1ccc2c(c1)CCCN2C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346791 559482409 /nfs/dbraw/zinc/48/24/09/559482409.db2.gz ZBFATKOXSSBDTM-ZWKOTPCHSA-N 1 3 357.498 2.296 20 0 FEADHO c1nn(-c2ccccc2)cc1CN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000420362531 559482998 /nfs/dbraw/zinc/48/29/98/559482998.db2.gz OMTHSZWVNXOYRL-UHFFFAOYSA-N 1 3 353.514 2.380 20 0 FEADHO COC(=O)c1cccc(OCCN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420388062 559484748 /nfs/dbraw/zinc/48/47/48/559484748.db2.gz KUCAAYQPRSNRSR-HKUYNNGSSA-N 1 3 362.470 2.070 20 0 FEADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000420398287 559485279 /nfs/dbraw/zinc/48/52/79/559485279.db2.gz GVCQCEJGLTZFHK-YRPNKDGESA-N 1 3 362.420 2.315 20 0 FEADHO O=C1N[C@@H]2CN(C[C@@H]3CCCC(F)(F)C3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420401856 559485803 /nfs/dbraw/zinc/48/58/03/559485803.db2.gz LHTVUXXZCHWJJE-FVQBIDKESA-N 1 3 356.461 2.032 20 0 FEADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000420807927 559505638 /nfs/dbraw/zinc/50/56/38/559505638.db2.gz WTXQHVPWQAPRPU-VQTJNVASSA-N 1 3 358.530 2.287 20 0 FEADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000420807927 559505639 /nfs/dbraw/zinc/50/56/39/559505639.db2.gz WTXQHVPWQAPRPU-VQTJNVASSA-N 1 3 358.530 2.287 20 0 FEADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)C(=O)NCc3ccccc3)CC2)CC1 ZINC000420985732 559517427 /nfs/dbraw/zinc/51/74/27/559517427.db2.gz WPVGYXWHIAWVRC-IBGZPJMESA-N 1 3 372.557 2.183 20 0 FEADHO CCN1CCC([N@H+]2CCCN([C@@H](C)C(=O)NCc3ccccc3)CC2)CC1 ZINC000420985732 559517428 /nfs/dbraw/zinc/51/74/28/559517428.db2.gz WPVGYXWHIAWVRC-IBGZPJMESA-N 1 3 372.557 2.183 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)C[C@H]2CCCN2C)CC1 ZINC000421003216 559518765 /nfs/dbraw/zinc/51/87/65/559518765.db2.gz NATYXLZLZXHSCC-OAQYLSRUSA-N 1 3 372.557 2.102 20 0 FEADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc4nc(C)cc(C)n34)CC2)CC1 ZINC000421374552 559540603 /nfs/dbraw/zinc/54/06/03/559540603.db2.gz NVZYAAGZVWEVFA-UHFFFAOYSA-N 1 3 370.545 2.338 20 0 FEADHO CCN1CCC([N@H+]2CCCN(Cc3cnc4nc(C)cc(C)n34)CC2)CC1 ZINC000421374552 559540604 /nfs/dbraw/zinc/54/06/04/559540604.db2.gz NVZYAAGZVWEVFA-UHFFFAOYSA-N 1 3 370.545 2.338 20 0 FEADHO CC[NH+]1CCC(N2CCCN(Cc3cnc4nc(C)cc(C)n34)CC2)CC1 ZINC000421374552 559540605 /nfs/dbraw/zinc/54/06/05/559540605.db2.gz NVZYAAGZVWEVFA-UHFFFAOYSA-N 1 3 370.545 2.338 20 0 FEADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)C[C@H]3COCCN3)CC2)cc1 ZINC000422779080 559606311 /nfs/dbraw/zinc/60/63/11/559606311.db2.gz ILGZLIIHVYCYAM-XLIONFOSSA-N 1 3 361.530 2.264 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H](C)C[C@H](C)N)CC2)cc1 ZINC000422822794 559607696 /nfs/dbraw/zinc/60/76/96/559607696.db2.gz KPWVRSCMAYJEAN-LSDHHAIUSA-N 1 3 353.532 2.164 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC(N[C@H](C)C[C@H](C)[NH3+])CC2)cc1 ZINC000422822794 559607697 /nfs/dbraw/zinc/60/76/97/559607697.db2.gz KPWVRSCMAYJEAN-LSDHHAIUSA-N 1 3 353.532 2.164 20 0 FEADHO c1ccc(-c2ccc(NCCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)nn2)cc1 ZINC000422855659 559608678 /nfs/dbraw/zinc/60/86/78/559608678.db2.gz CXNUEZQVFORHFA-SXLOBPIMSA-N 1 3 351.498 3.066 20 0 FEADHO CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422896568 559610325 /nfs/dbraw/zinc/61/03/25/559610325.db2.gz AMLCLPOMLITPLM-FUHWJXTLSA-N 1 3 353.532 2.323 20 0 FEADHO CCN1CCN(Cc2ccc(N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422916202 559611405 /nfs/dbraw/zinc/61/14/05/559611405.db2.gz CTMXMVBLBZPQDA-BHDDXSALSA-N 1 3 372.557 2.393 20 0 FEADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422915581 559611420 /nfs/dbraw/zinc/61/14/20/559611420.db2.gz YNDJZZAEIPXIGX-UYAOXDASSA-N 1 3 358.530 2.223 20 0 FEADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422938352 559612061 /nfs/dbraw/zinc/61/20/61/559612061.db2.gz KPPZKALERCYYFJ-LPHOPBHVSA-N 1 3 350.938 2.440 20 0 FEADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000422939241 559612207 /nfs/dbraw/zinc/61/22/07/559612207.db2.gz LMGGYWURMKZOIR-ROUUACIJSA-N 1 3 351.516 2.221 20 0 FEADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CN1CCc2ccccc2C1 ZINC000422962573 559613033 /nfs/dbraw/zinc/61/30/33/559613033.db2.gz CQWVPCQCGFCVDD-YUMYIRISSA-N 1 3 357.542 2.306 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422992163 559614340 /nfs/dbraw/zinc/61/43/40/559614340.db2.gz QSRRVSRWVRVYJD-JSQNDZKTSA-N 1 3 360.420 2.198 20 0 FEADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422992163 559614341 /nfs/dbraw/zinc/61/43/41/559614341.db2.gz QSRRVSRWVRVYJD-JSQNDZKTSA-N 1 3 360.420 2.198 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423078807 559617785 /nfs/dbraw/zinc/61/77/85/559617785.db2.gz WUTZCVNBLYWOBD-HVRBKMHZSA-N 1 3 350.478 2.241 20 0 FEADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423078807 559617786 /nfs/dbraw/zinc/61/77/86/559617786.db2.gz WUTZCVNBLYWOBD-HVRBKMHZSA-N 1 3 350.478 2.241 20 0 FEADHO COC[C@H](CCC[NH3+])N[C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000423125743 559620176 /nfs/dbraw/zinc/62/01/76/559620176.db2.gz ABTPREHTLQYRFR-MPGHIAIKSA-N 1 3 351.466 2.221 20 0 FEADHO OC[C@@H](CN[C@H]1CCC[NH2+]CC1)Cc1cc(F)cc(Br)c1 ZINC000423173475 559621972 /nfs/dbraw/zinc/62/19/72/559621972.db2.gz YWACMXIIABDJKF-CJNGLKHVSA-N 1 3 359.283 2.471 20 0 FEADHO C[C@H](NCc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000423184834 559622270 /nfs/dbraw/zinc/62/22/70/559622270.db2.gz NLNBQPXOYQMBBB-OXJNMPFZSA-N 1 3 358.530 2.004 20 0 FEADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(-n2cccn2)cc1 ZINC000423378306 559627142 /nfs/dbraw/zinc/62/71/42/559627142.db2.gz FRETYATXUAMPAT-PBHICJAKSA-N 1 3 367.419 2.359 20 0 FEADHO Cn1ccc([C@@H](NC2CCC([NH+]3CCNCC3)CC2)c2ccc(F)cc2)n1 ZINC000423524529 559631137 /nfs/dbraw/zinc/63/11/37/559631137.db2.gz XIVBJCIYJXQDSY-GRERDSQWSA-N 1 3 371.504 2.455 20 0 FEADHO Cn1ccc([C@@H](NC2CCC(N3CC[NH2+]CC3)CC2)c2ccc(F)cc2)n1 ZINC000423524529 559631138 /nfs/dbraw/zinc/63/11/38/559631138.db2.gz XIVBJCIYJXQDSY-GRERDSQWSA-N 1 3 371.504 2.455 20 0 FEADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000423748344 559638131 /nfs/dbraw/zinc/63/81/31/559638131.db2.gz QRTMLZYVBIOLBD-INIZCTEOSA-N 1 3 351.441 2.245 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000423852468 559642791 /nfs/dbraw/zinc/64/27/91/559642791.db2.gz RQTKEPJTAYOCEH-OXJNMPFZSA-N 1 3 352.482 2.293 20 0 FEADHO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000423852468 559642792 /nfs/dbraw/zinc/64/27/92/559642792.db2.gz RQTKEPJTAYOCEH-OXJNMPFZSA-N 1 3 352.482 2.293 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000423852468 559642793 /nfs/dbraw/zinc/64/27/93/559642793.db2.gz RQTKEPJTAYOCEH-OXJNMPFZSA-N 1 3 352.482 2.293 20 0 FEADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000423856997 559643122 /nfs/dbraw/zinc/64/31/22/559643122.db2.gz XGMFNEBDRTWBKG-AABGKKOBSA-N 1 3 359.514 2.028 20 0 FEADHO C[C@H](NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000424475405 559666706 /nfs/dbraw/zinc/66/67/06/559666706.db2.gz JIYCQTPNSGHVFJ-FRYIKTPZSA-N 1 3 356.514 2.290 20 0 FEADHO COC(=O)[C@H](CC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000425413844 559700914 /nfs/dbraw/zinc/70/09/14/559700914.db2.gz CAIRLBQDZFKSFC-HMXCVIKNSA-N 1 3 373.541 2.291 20 0 FEADHO COC(=O)[C@H](CC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000425413844 559700915 /nfs/dbraw/zinc/70/09/15/559700915.db2.gz CAIRLBQDZFKSFC-HMXCVIKNSA-N 1 3 373.541 2.291 20 0 FEADHO COC(=O)[C@H](CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000425413844 559700916 /nfs/dbraw/zinc/70/09/16/559700916.db2.gz CAIRLBQDZFKSFC-HMXCVIKNSA-N 1 3 373.541 2.291 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)c2)CC1 ZINC000425667905 559713839 /nfs/dbraw/zinc/71/38/39/559713839.db2.gz HLVPVTJHMGOAMW-FXAWDEMLSA-N 1 3 371.529 2.386 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)c2)CC1 ZINC000425667905 559713840 /nfs/dbraw/zinc/71/38/40/559713840.db2.gz HLVPVTJHMGOAMW-FXAWDEMLSA-N 1 3 371.529 2.386 20 0 FEADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000426382541 559733818 /nfs/dbraw/zinc/73/38/18/559733818.db2.gz SCCUWYGFKVFWAB-QGZVFWFLSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)C[C@H](C)O1 ZINC000426666791 559739951 /nfs/dbraw/zinc/73/99/51/559739951.db2.gz VMKHXTNXTWITAW-QKLQHJQFSA-N 1 3 363.546 2.351 20 0 FEADHO C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)C[C@H](C)O1 ZINC000426666791 559739952 /nfs/dbraw/zinc/73/99/52/559739952.db2.gz VMKHXTNXTWITAW-QKLQHJQFSA-N 1 3 363.546 2.351 20 0 FEADHO C[C@H]1C[C@H]1[N@@H+]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000429022878 559789033 /nfs/dbraw/zinc/78/90/33/559789033.db2.gz CXCPHCQXZVLDSY-KOUHRCEDSA-N 1 3 372.557 2.068 20 0 FEADHO C[C@H]1C[C@H]1[N@H+]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000429022878 559789034 /nfs/dbraw/zinc/78/90/34/559789034.db2.gz CXCPHCQXZVLDSY-KOUHRCEDSA-N 1 3 372.557 2.068 20 0 FEADHO C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c(OC)c1 ZINC000429036551 559789463 /nfs/dbraw/zinc/78/94/63/559789463.db2.gz QMFHIWPBDAYEQV-ATBPXCTNSA-N 1 3 360.498 2.496 20 0 FEADHO C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CC[C@]3(CCN(C)C3)C2)c(OC)c1 ZINC000429036551 559789464 /nfs/dbraw/zinc/78/94/64/559789464.db2.gz QMFHIWPBDAYEQV-ATBPXCTNSA-N 1 3 360.498 2.496 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC000430774243 559827948 /nfs/dbraw/zinc/82/79/48/559827948.db2.gz ZVYCEQNHMUMKJD-OAQYLSRUSA-N 1 3 358.530 2.177 20 0 FEADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC000430774243 559827949 /nfs/dbraw/zinc/82/79/49/559827949.db2.gz ZVYCEQNHMUMKJD-OAQYLSRUSA-N 1 3 358.530 2.177 20 0 FEADHO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C3(N)CCCCC3)cc2)CC1 ZINC000430869760 559829392 /nfs/dbraw/zinc/82/93/92/559829392.db2.gz QZZFPRDRPLBKAZ-UHFFFAOYSA-N 1 3 372.513 2.027 20 0 FEADHO CCCN(CC(=O)N1CCCN(Cc2ccccc2C)CC1)[C@H]1CC[NH2+]C1 ZINC000430944014 559831155 /nfs/dbraw/zinc/83/11/55/559831155.db2.gz KIIZMZWEAMYJCR-NRFANRHFSA-N 1 3 372.557 2.103 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCCO1 ZINC000433398343 559879988 /nfs/dbraw/zinc/87/99/88/559879988.db2.gz FZCLPWKEGLQHFP-IEBWSBKVSA-N 1 3 366.550 2.051 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCCO1 ZINC000433398343 559879989 /nfs/dbraw/zinc/87/99/89/559879989.db2.gz FZCLPWKEGLQHFP-IEBWSBKVSA-N 1 3 366.550 2.051 20 0 FEADHO C[C@H]1CN(CCCNC(=O)NCCCCC[NH+]2CCCCC2)CCCO1 ZINC000433400687 559880044 /nfs/dbraw/zinc/88/00/44/559880044.db2.gz OYTJETFPZFUEMA-IBGZPJMESA-N 1 3 368.566 2.443 20 0 FEADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@H]3CSCCN3)cc2)C1 ZINC000434888521 559911738 /nfs/dbraw/zinc/91/17/38/559911738.db2.gz TWIHUGFJCAIBNG-RDJZCZTQSA-N 1 3 363.527 2.441 20 0 FEADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H]3CSCCN3)cc2)C1 ZINC000434888521 559911739 /nfs/dbraw/zinc/91/17/39/559911739.db2.gz TWIHUGFJCAIBNG-RDJZCZTQSA-N 1 3 363.527 2.441 20 0 FEADHO Cn1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000435382132 559921759 /nfs/dbraw/zinc/92/17/59/559921759.db2.gz ZSTBVAGQTFDTFW-CGTJXYLNSA-N 1 3 368.481 2.418 20 0 FEADHO CC1(C)Cc2cccc(CN3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)c2O1 ZINC000435379329 559921855 /nfs/dbraw/zinc/92/18/55/559921855.db2.gz LZZONTNYGMNWRC-VQIMIIECSA-N 1 3 371.525 2.480 20 0 FEADHO CCc1ccnc(CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000438285056 559976521 /nfs/dbraw/zinc/97/65/21/559976521.db2.gz RGLFWGPYVMORSH-IBGZPJMESA-N 1 3 361.534 2.202 20 0 FEADHO CCc1ccnc(CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000438285056 559976522 /nfs/dbraw/zinc/97/65/22/559976522.db2.gz RGLFWGPYVMORSH-IBGZPJMESA-N 1 3 361.534 2.202 20 0 FEADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438327789 559977315 /nfs/dbraw/zinc/97/73/15/559977315.db2.gz MJFRVSIWBXMLCH-GOSISDBHSA-N 1 3 354.539 2.003 20 0 FEADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438327789 559977316 /nfs/dbraw/zinc/97/73/16/559977316.db2.gz MJFRVSIWBXMLCH-GOSISDBHSA-N 1 3 354.539 2.003 20 0 FEADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)C1 ZINC000443066424 560068970 /nfs/dbraw/zinc/06/89/70/560068970.db2.gz DUEHLIZETVZZHG-OAHLLOKOSA-N 1 3 373.419 2.305 20 0 FEADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000443072548 560069316 /nfs/dbraw/zinc/06/93/16/560069316.db2.gz NYEHTXJCJBNHOE-AWEZNQCLSA-N 1 3 373.419 2.261 20 0 FEADHO CC[C@@](C)(O)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000444594219 560116343 /nfs/dbraw/zinc/11/63/43/560116343.db2.gz HHFHVNACWAPROK-OAQYLSRUSA-N 1 3 361.530 2.108 20 0 FEADHO C[NH+](C)CCOc1cccc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000446264753 560142861 /nfs/dbraw/zinc/14/28/61/560142861.db2.gz LQNKPKWIJYGOKI-FUHIMQAGSA-N 1 3 361.486 2.098 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000446290014 560143723 /nfs/dbraw/zinc/14/37/23/560143723.db2.gz UJIJRHYKPNWWJL-WOIUINJBSA-N 1 3 371.525 2.431 20 0 FEADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCCN(CCCO)C2)CC1 ZINC000449396711 560228896 /nfs/dbraw/zinc/22/88/96/560228896.db2.gz MJKYZOAJUYVSES-OAQYLSRUSA-N 1 3 374.573 2.155 20 0 FEADHO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)C12CCC2 ZINC000451482486 560309694 /nfs/dbraw/zinc/30/96/94/560309694.db2.gz UKPHAOYITABOSG-GUDVDZBRSA-N 1 3 359.514 2.343 20 0 FEADHO COC1([C@@H](C)NCc2ccncc2OCCC[NH+](C)C)CCOCC1 ZINC000453241665 560384478 /nfs/dbraw/zinc/38/44/78/560384478.db2.gz ZFIPVHQKDPBWLC-MRXNPFEDSA-N 1 3 351.491 2.086 20 0 FEADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NCCN3CCCC3(C)C)ccc21 ZINC000454073206 560426905 /nfs/dbraw/zinc/42/69/05/560426905.db2.gz UXYLKALZIZPFJI-SFHVURJKSA-N 1 3 372.513 2.165 20 0 FEADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccnn1CCN(C)C ZINC000455668735 560491185 /nfs/dbraw/zinc/49/11/85/560491185.db2.gz MSJCNSRPPMVPAE-INIZCTEOSA-N 1 3 350.511 2.221 20 0 FEADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccnn1CCN(C)C ZINC000455668735 560491186 /nfs/dbraw/zinc/49/11/86/560491186.db2.gz MSJCNSRPPMVPAE-INIZCTEOSA-N 1 3 350.511 2.221 20 0 FEADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)C1 ZINC000457477266 560569330 /nfs/dbraw/zinc/56/93/30/560569330.db2.gz BJNOXBAVAOJRRM-PZJWPPBQSA-N 1 3 356.514 2.388 20 0 FEADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)C1 ZINC000457477266 560569331 /nfs/dbraw/zinc/56/93/31/560569331.db2.gz BJNOXBAVAOJRRM-PZJWPPBQSA-N 1 3 356.514 2.388 20 0 FEADHO CN(C(=O)C1C[NH+](C2CCCCC2)C1)C1CCN(CCn2cccn2)CC1 ZINC000457550271 560573852 /nfs/dbraw/zinc/57/38/52/560573852.db2.gz IXBHIWYSQSBVFE-UHFFFAOYSA-N 1 3 373.545 2.070 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000458174412 560607018 /nfs/dbraw/zinc/60/70/18/560607018.db2.gz SIMZHQDDKCJVRI-SFHVURJKSA-N 1 3 358.530 2.290 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000458174412 560607019 /nfs/dbraw/zinc/60/70/19/560607019.db2.gz SIMZHQDDKCJVRI-SFHVURJKSA-N 1 3 358.530 2.290 20 0 FEADHO C[NH+](C)CC(C)(C)NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000458379589 560618844 /nfs/dbraw/zinc/61/88/44/560618844.db2.gz GXRSSMWSXCMMLJ-UHFFFAOYSA-N 1 3 356.580 2.378 20 0 FEADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000458386707 560619443 /nfs/dbraw/zinc/61/94/43/560619443.db2.gz WOOMFQMFCVGFTJ-QZTJIDSGSA-N 1 3 368.566 2.033 20 0 FEADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000458386707 560619444 /nfs/dbraw/zinc/61/94/44/560619444.db2.gz WOOMFQMFCVGFTJ-QZTJIDSGSA-N 1 3 368.566 2.033 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000458514776 560628711 /nfs/dbraw/zinc/62/87/11/560628711.db2.gz XWVGCVYZALCHRA-FQEVSTJZSA-N 1 3 366.550 2.003 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000458514776 560628712 /nfs/dbraw/zinc/62/87/12/560628712.db2.gz XWVGCVYZALCHRA-FQEVSTJZSA-N 1 3 366.550 2.003 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCOC(C)(C)C1 ZINC000459137559 560669401 /nfs/dbraw/zinc/66/94/01/560669401.db2.gz MYGBQMFJJIIFOQ-ROUUACIJSA-N 1 3 368.566 2.249 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCOC(C)(C)C1 ZINC000459137559 560669402 /nfs/dbraw/zinc/66/94/02/560669402.db2.gz MYGBQMFJJIIFOQ-ROUUACIJSA-N 1 3 368.566 2.249 20 0 FEADHO COc1ccccc1CCNC(=O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459522535 560691771 /nfs/dbraw/zinc/69/17/71/560691771.db2.gz FCTCAAOXHGBFSZ-UHFFFAOYSA-N 1 3 368.481 2.008 20 0 FEADHO CCN1CCN(CCCCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000460200329 560737750 /nfs/dbraw/zinc/73/77/50/560737750.db2.gz HTOOWZNPJBIRQK-UHFFFAOYSA-N 1 3 352.567 2.032 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000465543210 560867909 /nfs/dbraw/zinc/86/79/09/560867909.db2.gz MZDXVAFWUOZMMV-RBUKOAKNSA-N 1 3 374.529 2.048 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000465543210 560867910 /nfs/dbraw/zinc/86/79/10/560867910.db2.gz MZDXVAFWUOZMMV-RBUKOAKNSA-N 1 3 374.529 2.048 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000465750143 560872036 /nfs/dbraw/zinc/87/20/36/560872036.db2.gz HXNYALCPJJLWHT-QGZVFWFLSA-N 1 3 358.530 2.117 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000465750143 560872038 /nfs/dbraw/zinc/87/20/38/560872038.db2.gz HXNYALCPJJLWHT-QGZVFWFLSA-N 1 3 358.530 2.117 20 0 FEADHO CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000465905910 560875754 /nfs/dbraw/zinc/87/57/54/560875754.db2.gz ZLUIXGMKYBCQKQ-MRXNPFEDSA-N 1 3 354.539 2.002 20 0 FEADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000466020125 560878043 /nfs/dbraw/zinc/87/80/43/560878043.db2.gz VFULWEUXSGMESH-GOSISDBHSA-N 1 3 372.557 2.459 20 0 FEADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000466020125 560878044 /nfs/dbraw/zinc/87/80/44/560878044.db2.gz VFULWEUXSGMESH-GOSISDBHSA-N 1 3 372.557 2.459 20 0 FEADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCc3ccccc3C2=O)[C@H](C)C1 ZINC000467401003 560909456 /nfs/dbraw/zinc/90/94/56/560909456.db2.gz NFMGAILHRCEDJZ-WIYYLYMNSA-N 1 3 373.541 2.412 20 0 FEADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCc3ccccc3C2=O)[C@H](C)C1 ZINC000467401003 560909457 /nfs/dbraw/zinc/90/94/57/560909457.db2.gz NFMGAILHRCEDJZ-WIYYLYMNSA-N 1 3 373.541 2.412 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000467528318 560912110 /nfs/dbraw/zinc/91/21/10/560912110.db2.gz FKQHMYMTDYGGGE-UXHICEINSA-N 1 3 356.514 2.185 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000467528318 560912111 /nfs/dbraw/zinc/91/21/11/560912111.db2.gz FKQHMYMTDYGGGE-UXHICEINSA-N 1 3 356.514 2.185 20 0 FEADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000467708306 560915273 /nfs/dbraw/zinc/91/52/73/560915273.db2.gz DBCQSBNIWMPZSH-NQIIRXRSSA-N 1 3 370.541 2.188 20 0 FEADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000467708306 560915274 /nfs/dbraw/zinc/91/52/74/560915274.db2.gz DBCQSBNIWMPZSH-NQIIRXRSSA-N 1 3 370.541 2.188 20 0 FEADHO CCCN1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000468182732 560924246 /nfs/dbraw/zinc/92/42/46/560924246.db2.gz JZAZLGUYXABZTG-PMACEKPBSA-N 1 3 359.514 2.134 20 0 FEADHO CCCN1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000468182732 560924247 /nfs/dbraw/zinc/92/42/47/560924247.db2.gz JZAZLGUYXABZTG-PMACEKPBSA-N 1 3 359.514 2.134 20 0 FEADHO COc1cc(CNC(=O)CN2[C@H](C)CC[C@H]2C)ccc1OCC[NH+](C)C ZINC000469182381 560949205 /nfs/dbraw/zinc/94/92/05/560949205.db2.gz ZBWYICGKSKZYBP-HZPDHXFCSA-N 1 3 363.502 2.125 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000469696972 560961789 /nfs/dbraw/zinc/96/17/89/560961789.db2.gz BQJSLTAUGJXFFU-RBUKOAKNSA-N 1 3 358.530 2.106 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000469696972 560961790 /nfs/dbraw/zinc/96/17/90/560961790.db2.gz BQJSLTAUGJXFFU-RBUKOAKNSA-N 1 3 358.530 2.106 20 0 FEADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000470284453 560978080 /nfs/dbraw/zinc/97/80/80/560978080.db2.gz FSMYYYNXYHJQJE-HXUWFJFHSA-N 1 3 369.513 2.371 20 0 FEADHO CC(C)OCC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000472174084 561020216 /nfs/dbraw/zinc/02/02/16/561020216.db2.gz PZIIIPXXZASZMI-NSHGMRRFSA-N 1 3 356.551 2.374 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472262021 561022195 /nfs/dbraw/zinc/02/21/95/561022195.db2.gz LJHIPZQVNVVNCR-QGZVFWFLSA-N 1 3 373.497 2.105 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)c2)CC1 ZINC000473822121 561058412 /nfs/dbraw/zinc/05/84/12/561058412.db2.gz SSUMRKBZMBMCMC-SJLPKXTDSA-N 1 3 359.518 2.433 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000473822121 561058413 /nfs/dbraw/zinc/05/84/13/561058413.db2.gz SSUMRKBZMBMCMC-SJLPKXTDSA-N 1 3 359.518 2.433 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000475039379 561088393 /nfs/dbraw/zinc/08/83/93/561088393.db2.gz QHQBOKXPDFLBLA-FPOVZHCZSA-N 1 3 372.557 2.069 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000475039379 561088394 /nfs/dbraw/zinc/08/83/94/561088394.db2.gz QHQBOKXPDFLBLA-FPOVZHCZSA-N 1 3 372.557 2.069 20 0 FEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000475930761 561108147 /nfs/dbraw/zinc/10/81/47/561108147.db2.gz QRWAWXWALXFHNG-RDJZCZTQSA-N 1 3 374.529 2.489 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000476744992 561127484 /nfs/dbraw/zinc/12/74/84/561127484.db2.gz XTCQIMWELFRIQB-OKZBNKHCSA-N 1 3 368.566 2.153 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000476744989 561127500 /nfs/dbraw/zinc/12/75/00/561127500.db2.gz XTCQIMWELFRIQB-KZNAEPCWSA-N 1 3 368.566 2.153 20 0 FEADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000529353310 562370740 /nfs/dbraw/zinc/37/07/40/562370740.db2.gz WMQJVMPRXOCBSP-XUVXKRRUSA-N 1 3 368.525 2.435 20 0 FEADHO C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000530567695 562416037 /nfs/dbraw/zinc/41/60/37/562416037.db2.gz UXCKYQJBNYDTOV-QGZVFWFLSA-N 1 3 372.513 2.069 20 0 FEADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)C[C@H](C)O1 ZINC000530723067 562421955 /nfs/dbraw/zinc/42/19/55/562421955.db2.gz RJMXQERXGSNEDB-IYBDPMFKSA-N 1 3 361.465 2.385 20 0 FEADHO Cc1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n(C2CCN(C)CC2)n1 ZINC000530950637 562429627 /nfs/dbraw/zinc/42/96/27/562429627.db2.gz YIBFUTRNHSKXII-IRXDYDNUSA-N 1 3 360.506 2.207 20 0 FEADHO Cc1cc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)n(C2CCN(C)CC2)n1 ZINC000530950637 562429628 /nfs/dbraw/zinc/42/96/28/562429628.db2.gz YIBFUTRNHSKXII-IRXDYDNUSA-N 1 3 360.506 2.207 20 0 FEADHO CCO[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C12CCCCC2 ZINC000531424599 562445340 /nfs/dbraw/zinc/44/53/40/562445340.db2.gz MMNWGRMIAVEUSC-ROUUACIJSA-N 1 3 368.566 2.249 20 0 FEADHO Cc1cc(NC(=O)NC2CC[NH+](CC3CC3)CC2)n(C2CCN(C)CC2)n1 ZINC000531427896 562445581 /nfs/dbraw/zinc/44/55/81/562445581.db2.gz RPINFHQFKSQHEJ-UHFFFAOYSA-N 1 3 374.533 2.454 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000531718016 562454683 /nfs/dbraw/zinc/45/46/83/562454683.db2.gz NEGVQFGZXITAMY-HBFSDRIKSA-N 1 3 364.578 2.029 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000531718016 562454684 /nfs/dbraw/zinc/45/46/84/562454684.db2.gz NEGVQFGZXITAMY-HBFSDRIKSA-N 1 3 364.578 2.029 20 0 FEADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000531718015 562454754 /nfs/dbraw/zinc/45/47/54/562454754.db2.gz NEGVQFGZXITAMY-GGPKGHCWSA-N 1 3 364.578 2.029 20 0 FEADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000531718015 562454755 /nfs/dbraw/zinc/45/47/55/562454755.db2.gz NEGVQFGZXITAMY-GGPKGHCWSA-N 1 3 364.578 2.029 20 0 FEADHO C[NH+](C)CCCC1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000535042828 562549125 /nfs/dbraw/zinc/54/91/25/562549125.db2.gz TYMVXWIFVPLRHJ-JOCHJYFZSA-N 1 3 373.541 2.204 20 0 FEADHO C[C@H]([NH2+]CC(=O)NCC(=O)c1cccs1)[C@H]1CCCN(C2CCC2)C1 ZINC000541600223 562616182 /nfs/dbraw/zinc/61/61/82/562616182.db2.gz YMSBCHZGFQFVQX-GJZGRUSLSA-N 1 3 363.527 2.290 20 0 FEADHO C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC2(C1)CC[NH+](C)CC2 ZINC000602877468 568010536 /nfs/dbraw/zinc/01/05/36/568010536.db2.gz OXZXHZJMOKIDSJ-CQSZACIVSA-N 1 3 362.449 2.280 20 0 FEADHO CC[C@](CNC1CC[NH+](CC(C)(C)O)CC1)(C(=O)OC)c1ccccc1 ZINC000602698107 568016666 /nfs/dbraw/zinc/01/66/66/568016666.db2.gz XUPLWJSDSODDMD-OAQYLSRUSA-N 1 3 362.514 2.332 20 0 FEADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000605973988 568047178 /nfs/dbraw/zinc/04/71/78/568047178.db2.gz MYPOVXBUEDWEJX-QZTJIDSGSA-N 1 3 366.550 2.003 20 0 FEADHO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@@H](O)CN2CCC(C)CC2)c1 ZINC000566234271 675196854 /nfs/dbraw/zinc/19/68/54/675196854.db2.gz KMBCUCXVBLTVNQ-SJORKVTESA-N 1 3 370.921 2.071 20 0 FEADHO C[NH+](C)CCCC1CC[NH+](CCOc2ccccc2-c2nnn[n-]2)CC1 ZINC000825860793 608379406 /nfs/dbraw/zinc/37/94/06/608379406.db2.gz WWRBIRNZGPIMBW-UHFFFAOYSA-N 1 3 358.490 2.299 20 0 FEADHO C[NH+](C)CCCC1CC[NH+](CCOc2ccccc2-c2nn[n-]n2)CC1 ZINC000825860793 608379408 /nfs/dbraw/zinc/37/94/08/608379408.db2.gz WWRBIRNZGPIMBW-UHFFFAOYSA-N 1 3 358.490 2.299 20 0 FEADHO COCCN(CCN(C)C)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000080204312 670618984 /nfs/dbraw/zinc/61/89/84/670618984.db2.gz VXITUKJFRHPEFZ-UHFFFAOYSA-N 1 3 354.539 2.003 20 0 FEADHO CCc1cccc(OC[C@@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000565770473 675150143 /nfs/dbraw/zinc/15/01/43/675150143.db2.gz VPZXBUADNXVNRB-MJGOQNOKSA-N 1 3 350.503 2.079 20 0 FEADHO CCc1cccc(OC[C@@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000565770473 675150145 /nfs/dbraw/zinc/15/01/45/675150145.db2.gz VPZXBUADNXVNRB-MJGOQNOKSA-N 1 3 350.503 2.079 20 0 FEADHO CS(=O)(=O)c1ccc(OCCCN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000572001506 670949812 /nfs/dbraw/zinc/94/98/12/670949812.db2.gz XILBAFMYSIQIRA-DLBZAZTESA-N 1 3 366.527 2.181 20 0 FEADHO CC(C)[NH2+]CCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000572347674 670990717 /nfs/dbraw/zinc/99/07/17/670990717.db2.gz HWCJHALBLHRSLV-UHFFFAOYSA-N 1 3 364.456 2.479 20 0 FEADHO Cc1cc(C)cc(OC[C@@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000574151131 671208352 /nfs/dbraw/zinc/20/83/52/671208352.db2.gz NNINYYRMCQVXAC-OALUTQOASA-N 1 3 350.503 2.134 20 0 FEADHO Cc1cc(C)cc(OC[C@@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000574151131 671208356 /nfs/dbraw/zinc/20/83/56/671208356.db2.gz NNINYYRMCQVXAC-OALUTQOASA-N 1 3 350.503 2.134 20 0 FEADHO O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000576873104 671400850 /nfs/dbraw/zinc/40/08/50/671400850.db2.gz PTLYCVZBLAOCRK-GDBMZVCRSA-N 1 3 355.404 2.151 20 0 FEADHO COc1ccc(Cl)cc1CNC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000581251690 671878457 /nfs/dbraw/zinc/87/84/57/671878457.db2.gz CWIWOBIQNRAMFT-LSDHHAIUSA-N 1 3 365.905 2.286 20 0 FEADHO Clc1cc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc2c1OCCO2 ZINC000581878614 671944723 /nfs/dbraw/zinc/94/47/23/671944723.db2.gz SMSGNZFLZZMNAW-USXIJHARSA-N 1 3 366.889 2.400 20 0 FEADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584528435 672196906 /nfs/dbraw/zinc/19/69/06/672196906.db2.gz VLXWOZREYMUKGD-VVLHAWIVSA-N 1 3 354.539 2.033 20 0 FEADHO CCN1CCN(CCC[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000154217878 672212584 /nfs/dbraw/zinc/21/25/84/672212584.db2.gz DOHQOBDALOGLTH-HNNXBMFYSA-N 1 3 367.925 2.069 20 0 FEADHO CCO[C@@H]1C[C@@H](NCc2c(Cl)cccc2N2CC[NH+](C)CC2)[C@H]1OC ZINC000679625060 672510716 /nfs/dbraw/zinc/51/07/16/672510716.db2.gz AHGXNZSGCXNCBM-BHIYHBOVSA-N 1 3 367.921 2.374 20 0 FEADHO C[C@H](CN[C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1)[NH+](C)C ZINC000680338508 672566482 /nfs/dbraw/zinc/56/64/82/672566482.db2.gz IIKSEAPTFHRYKE-RDTXWAMCSA-N 1 3 366.937 2.118 20 0 FEADHO C[C@@H]1C[C@H](NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000721855621 673083954 /nfs/dbraw/zinc/08/39/54/673083954.db2.gz SJRZDJVPFFDOGF-NVXWUHKLSA-N 1 3 354.539 2.048 20 0 FEADHO C[C@@H]1C[C@H](NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000721855621 673083960 /nfs/dbraw/zinc/08/39/60/673083960.db2.gz SJRZDJVPFFDOGF-NVXWUHKLSA-N 1 3 354.539 2.048 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)N(C)C)cc1 ZINC000612982161 676105107 /nfs/dbraw/zinc/10/51/07/676105107.db2.gz IDIYDZSKWKEFSH-SJORKVTESA-N 1 3 362.543 2.453 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000543097241 673624891 /nfs/dbraw/zinc/62/48/91/673624891.db2.gz CBSWEDPVMVNAGY-UHFFFAOYSA-N 1 3 354.539 2.003 20 0 FEADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=S)NC1CCN(C)CC1 ZINC000743038768 673747163 /nfs/dbraw/zinc/74/71/63/673747163.db2.gz ULDOCCQSSRRVEI-SFHVURJKSA-N 1 3 360.571 2.409 20 0 FEADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=S)NC1CCN(C)CC1 ZINC000743038768 673747164 /nfs/dbraw/zinc/74/71/64/673747164.db2.gz ULDOCCQSSRRVEI-SFHVURJKSA-N 1 3 360.571 2.409 20 0 FEADHO COC(=O)CCCN1CCC([NH2+][C@H](C)CN2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000545205160 673751392 /nfs/dbraw/zinc/75/13/92/673751392.db2.gz IVMOSQHXNHXLIW-OKZBNKHCSA-N 1 3 353.551 2.360 20 0 FEADHO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc2ccccc2o1 ZINC000548043639 673918024 /nfs/dbraw/zinc/91/80/24/673918024.db2.gz DTZXUZZNPDENGN-UHFFFAOYSA-N 1 3 365.499 2.079 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3nc4c(s3)CCC4)CC2)CC1 ZINC000548077711 673921211 /nfs/dbraw/zinc/92/12/11/673921211.db2.gz NVQQOQFMPZLOAZ-UHFFFAOYSA-N 1 3 363.531 2.312 20 0 FEADHO C[C@@H](NCCNS(=O)(=O)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000820808910 675390739 /nfs/dbraw/zinc/39/07/39/675390739.db2.gz PYNLFLRVNZXPNN-MRXNPFEDSA-N 1 3 361.511 2.377 20 0 FEADHO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNCc2cn[nH]c2)CC1 ZINC000608060554 675884513 /nfs/dbraw/zinc/88/45/13/675884513.db2.gz MKKULGFETNLAOO-UHFFFAOYSA-N 1 3 353.392 2.470 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC3CC(OC)C3)CC2)CC1 ZINC000617034311 676267746 /nfs/dbraw/zinc/26/77/46/676267746.db2.gz WULBJDZKTVZBKS-UHFFFAOYSA-N 1 3 351.535 2.114 20 0 FEADHO COc1cc(Cl)c(F)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617502600 676288565 /nfs/dbraw/zinc/28/85/65/676288565.db2.gz VSGVTBBIKABGCP-LBPRGKRZSA-N 1 3 359.873 2.490 20 0 FEADHO COc1cc(Cl)c(F)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617502600 676288567 /nfs/dbraw/zinc/28/85/67/676288567.db2.gz VSGVTBBIKABGCP-LBPRGKRZSA-N 1 3 359.873 2.490 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc(-c2ccncc2)s1 ZINC000617505520 676288884 /nfs/dbraw/zinc/28/88/84/676288884.db2.gz GAHCJUJJGCWZIG-AWEZNQCLSA-N 1 3 361.515 2.207 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc(-c2ccncc2)s1 ZINC000617505520 676288886 /nfs/dbraw/zinc/28/88/86/676288886.db2.gz GAHCJUJJGCWZIG-AWEZNQCLSA-N 1 3 361.515 2.207 20 0 FEADHO C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H]1OCCc2sccc21 ZINC000617508007 676289623 /nfs/dbraw/zinc/28/96/23/676289623.db2.gz RMHDAZXREHQAIH-HDMKZQKVSA-N 1 3 367.559 2.386 20 0 FEADHO C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H]1OCCc2sccc21 ZINC000617508007 676289626 /nfs/dbraw/zinc/28/96/26/676289626.db2.gz RMHDAZXREHQAIH-HDMKZQKVSA-N 1 3 367.559 2.386 20 0 FEADHO CN1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1(C)C ZINC000623360339 676530929 /nfs/dbraw/zinc/53/09/29/676530929.db2.gz FMGOJZRBAMWQRY-QGZVFWFLSA-N 1 3 365.543 2.434 20 0 FEADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000635003237 677087248 /nfs/dbraw/zinc/08/72/48/677087248.db2.gz AZCQPFGIFCMJBN-PFHDPQJOSA-N 1 3 351.288 2.429 20 0 FEADHO [NH3+][C@@H]1CC=C(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000638125474 677140560 /nfs/dbraw/zinc/14/05/60/677140560.db2.gz YDKGDMYOWJRAIO-MRXNPFEDSA-N 1 3 363.889 2.347 20 0 FEADHO CC(C)(O)CN1CCC([NH2+]Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000638362252 677143952 /nfs/dbraw/zinc/14/39/52/677143952.db2.gz CVHZWLXSNUSCQN-UHFFFAOYSA-N 1 3 361.408 2.348 20 0 FEADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccc(S(N)(=O)=O)s2)C1 ZINC000638369329 677144059 /nfs/dbraw/zinc/14/40/59/677144059.db2.gz GCSUHVUKNCABEI-ZIAGYGMSSA-N 1 3 359.561 2.243 20 0 FEADHO CN(C)C[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)c1cccc(C(F)(F)F)c1 ZINC000638828306 677150734 /nfs/dbraw/zinc/15/07/34/677150734.db2.gz BPVMROVHOYAOJY-VXGBXAGGSA-N 1 3 353.335 2.407 20 0 FEADHO CN(C)S(=O)(=O)c1cccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647975772 677309723 /nfs/dbraw/zinc/30/97/23/677309723.db2.gz FSQNLAKLLOWTPD-ZWKOTPCHSA-N 1 3 365.543 2.149 20 0 FEADHO CC[C@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)N1CCc2ccccc2C1 ZINC000649292912 677328880 /nfs/dbraw/zinc/32/88/80/677328880.db2.gz LIGFHDISRRISBW-SJORKVTESA-N 1 3 351.441 2.184 20 0 FEADHO C[NH+](C)CCC1CCN(Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000649494078 677331610 /nfs/dbraw/zinc/33/16/10/677331610.db2.gz AYQGIBHNJRXDEJ-UHFFFAOYSA-N 1 3 365.543 2.291 20 0 FEADHO Cn1c2ccc(CN3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)cc2sc1=O ZINC000650725386 677387421 /nfs/dbraw/zinc/38/74/21/677387421.db2.gz ZOJGMACGKCTRDG-BFYDXBDKSA-N 1 3 361.511 2.461 20 0 FEADHO COc1cc(OC)c(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000651709151 677446175 /nfs/dbraw/zinc/44/61/75/677446175.db2.gz MKGMEPXJTUSISO-OAHLLOKOSA-N 1 3 351.466 2.101 20 0 FEADHO CC(C)N(C(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCC1 ZINC000652347572 677480688 /nfs/dbraw/zinc/48/06/88/677480688.db2.gz DRUCBDZYYNCVLB-JENIJYKNSA-N 1 3 351.535 2.384 20 0 FEADHO CC[N@H+](C)C[C@@H](O)CNC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000653706219 677545289 /nfs/dbraw/zinc/54/52/89/677545289.db2.gz XBTKENMAHBUSJS-INIZCTEOSA-N 1 3 358.885 2.473 20 0 FEADHO CC[N@@H+](C)C[C@@H](O)CNC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000653706219 677545291 /nfs/dbraw/zinc/54/52/91/677545291.db2.gz XBTKENMAHBUSJS-INIZCTEOSA-N 1 3 358.885 2.473 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000655925805 677693185 /nfs/dbraw/zinc/69/31/85/677693185.db2.gz FQJPRCVJBNQJDC-CHWSQXEVSA-N 1 3 364.437 2.200 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000661399575 678477958 /nfs/dbraw/zinc/47/79/58/678477958.db2.gz KTPZWVVDLIEKGY-DLBZAZTESA-N 1 3 354.539 2.002 20 0 FEADHO C[NH+]1CCC(N2CCC(Nc3cc(Br)cnn3)CC2)CC1 ZINC000663481125 678745674 /nfs/dbraw/zinc/74/56/74/678745674.db2.gz GGRUKSCDLNWDJC-UHFFFAOYSA-N 1 3 354.296 2.210 20 0 FEADHO CCN(C(=O)NCC1(N2CCSCC2)CCCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663699913 678776256 /nfs/dbraw/zinc/77/62/56/678776256.db2.gz RETVNYJQXLYYPO-QGZVFWFLSA-N 1 3 368.591 2.474 20 0 FEADHO CCN(C(=O)NCC1(N2CCSCC2)CCCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663699913 678776260 /nfs/dbraw/zinc/77/62/60/678776260.db2.gz RETVNYJQXLYYPO-QGZVFWFLSA-N 1 3 368.591 2.474 20 0 FEADHO COc1ccc(Cl)cc1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663726595 678781192 /nfs/dbraw/zinc/78/11/92/678781192.db2.gz SXXBUEOYZVRNBT-AWEZNQCLSA-N 1 3 370.925 2.420 20 0 FEADHO COc1ccc(Cl)cc1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663726595 678781195 /nfs/dbraw/zinc/78/11/95/678781195.db2.gz SXXBUEOYZVRNBT-AWEZNQCLSA-N 1 3 370.925 2.420 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000663735806 678782733 /nfs/dbraw/zinc/78/27/33/678782733.db2.gz TXJIPLRQQFQYSR-YQQAZPJKSA-N 1 3 350.507 2.474 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000663735806 678782735 /nfs/dbraw/zinc/78/27/35/678782735.db2.gz TXJIPLRQQFQYSR-YQQAZPJKSA-N 1 3 350.507 2.474 20 0 FEADHO CC(C)[C@H]1C[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000665026556 678938342 /nfs/dbraw/zinc/93/83/42/678938342.db2.gz HWWDPWRAQNNOIQ-RCCFBDPRSA-N 1 3 356.555 2.009 20 0 FEADHO CC(C)[C@H]1C[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000665026556 678938344 /nfs/dbraw/zinc/93/83/44/678938344.db2.gz HWWDPWRAQNNOIQ-RCCFBDPRSA-N 1 3 356.555 2.009 20 0 FEADHO CO[C@]1(C)C[C@H](N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000665759497 678981812 /nfs/dbraw/zinc/98/18/12/678981812.db2.gz IVYRSYIESDEAMS-TXPKVOOTSA-N 1 3 356.555 2.103 20 0 FEADHO CO[C@]1(C)C[C@H](N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000665759497 678981814 /nfs/dbraw/zinc/98/18/14/678981814.db2.gz IVYRSYIESDEAMS-TXPKVOOTSA-N 1 3 356.555 2.103 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)N(C)C)cc1 ZINC000669592666 679244371 /nfs/dbraw/zinc/24/43/71/679244371.db2.gz CSHORJMIIJSHST-WBAXXEDZSA-N 1 3 362.543 2.405 20 0 FEADHO COC1CCN(CCNC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000674329421 679482934 /nfs/dbraw/zinc/48/29/34/679482934.db2.gz ZLUKIFBRFASDRQ-UHFFFAOYSA-N 1 3 354.539 2.051 20 0 FEADHO COC1CCN(CCNC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000674329421 679482939 /nfs/dbraw/zinc/48/29/39/679482939.db2.gz ZLUKIFBRFASDRQ-UHFFFAOYSA-N 1 3 354.539 2.051 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)CCc3ccns3)C2)CC[N@@H+]1C ZINC001027418997 680357386 /nfs/dbraw/zinc/35/73/86/680357386.db2.gz KNDGROSLDSFTPB-RYQLBKOJSA-N 1 3 364.559 2.339 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)CCc3ccns3)C2)CC[N@H+]1C ZINC001027418997 680357388 /nfs/dbraw/zinc/35/73/88/680357388.db2.gz KNDGROSLDSFTPB-RYQLBKOJSA-N 1 3 364.559 2.339 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CCc3scnc3C)C2)CC[N@@H+]1C ZINC001007368073 680637620 /nfs/dbraw/zinc/63/76/20/680637620.db2.gz AJVBHAMXWLHYOZ-IXDOHACOSA-N 1 3 364.559 2.305 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CCc3scnc3C)C2)CC[N@H+]1C ZINC001007368073 680637621 /nfs/dbraw/zinc/63/76/21/680637621.db2.gz AJVBHAMXWLHYOZ-IXDOHACOSA-N 1 3 364.559 2.305 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc(Cl)n1 ZINC000841851088 680914669 /nfs/dbraw/zinc/91/46/69/680914669.db2.gz KGCQVUWUZGVNHG-GOEBONIOSA-N 1 3 350.894 2.281 20 0 FEADHO CC(C)[N@@H+]1CCC[C@H](COC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000842836206 680970600 /nfs/dbraw/zinc/97/06/00/680970600.db2.gz NOCFGMQEOFRLGU-XQQFMLRXSA-N 1 3 350.381 2.107 20 0 FEADHO CC(C)[N@H+]1CCC[C@H](COC(=O)C2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000842836206 680970601 /nfs/dbraw/zinc/97/06/01/680970601.db2.gz NOCFGMQEOFRLGU-XQQFMLRXSA-N 1 3 350.381 2.107 20 0 FEADHO CC(C)(C)OC(=O)NC[C@H](NC[C@@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000769919938 681000455 /nfs/dbraw/zinc/00/04/55/681000455.db2.gz FALZZYKVVSKSTP-SJORKVTESA-N 1 3 355.523 2.116 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc(Cl)n1 ZINC000843490200 681006712 /nfs/dbraw/zinc/00/67/12/681006712.db2.gz GCHXXGNTMWXMDJ-BMFZPTHFSA-N 1 3 350.894 2.376 20 0 FEADHO Cc1cc([C@H](N)CC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc(Cl)n1 ZINC000843490200 681006713 /nfs/dbraw/zinc/00/67/13/681006713.db2.gz GCHXXGNTMWXMDJ-BMFZPTHFSA-N 1 3 350.894 2.376 20 0 FEADHO CCO[C@@H]1C[N@H+](CC[C@H]2CCCN2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844406996 681057183 /nfs/dbraw/zinc/05/71/83/681057183.db2.gz NLACZYSNMIBSCP-BRWVUGGUSA-N 1 3 355.523 2.332 20 0 FEADHO CCO[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844406996 681057184 /nfs/dbraw/zinc/05/71/84/681057184.db2.gz NLACZYSNMIBSCP-BRWVUGGUSA-N 1 3 355.523 2.332 20 0 FEADHO Cc1cc(Br)cc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000774992468 681263809 /nfs/dbraw/zinc/26/38/09/681263809.db2.gz QSLCJQHDTSBWKQ-OAHLLOKOSA-N 1 3 368.319 2.435 20 0 FEADHO CCC1(N2CCOCC2)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000913331195 685475603 /nfs/dbraw/zinc/47/56/03/685475603.db2.gz MVJRTUBNQMDLRJ-UHFFFAOYSA-N 1 3 351.535 2.354 20 0 FEADHO CN(C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccsc1 ZINC000914073702 685493411 /nfs/dbraw/zinc/49/34/11/685493411.db2.gz PRZIAFPGUWOTOF-XHSDSOJGSA-N 1 3 368.572 2.230 20 0 FEADHO CN(C)[C@H](CNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccsc1 ZINC000914073702 685493412 /nfs/dbraw/zinc/49/34/12/685493412.db2.gz PRZIAFPGUWOTOF-XHSDSOJGSA-N 1 3 368.572 2.230 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3C[C@H]3C(F)(F)F)CC2)CC1 ZINC000915500075 685515669 /nfs/dbraw/zinc/51/56/69/685515669.db2.gz AHDKZSPOJBHGME-SWLSCSKDSA-N 1 3 362.440 2.043 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCS1 ZINC000915500159 685515706 /nfs/dbraw/zinc/51/57/06/685515706.db2.gz CZGSNMUMFVWQHY-GDBMZVCRSA-N 1 3 354.564 2.128 20 0 FEADHO C[C@@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000926119508 683078994 /nfs/dbraw/zinc/07/89/94/683078994.db2.gz KXKMBUYBAGHJGO-LZLYRXPVSA-N 1 3 371.591 2.289 20 0 FEADHO CCN1CC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000796693866 683186669 /nfs/dbraw/zinc/18/66/69/683186669.db2.gz HWYVKOYJGRBKHQ-QBPKDAKJSA-N 1 3 355.523 2.236 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000860096021 683201265 /nfs/dbraw/zinc/20/12/65/683201265.db2.gz JLSVBVRGWGVCOI-QGZVFWFLSA-N 1 3 356.555 2.248 20 0 FEADHO CC(C)N1CCN(CCC[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000860096021 683201270 /nfs/dbraw/zinc/20/12/70/683201270.db2.gz JLSVBVRGWGVCOI-QGZVFWFLSA-N 1 3 356.555 2.248 20 0 FEADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000927638278 683281584 /nfs/dbraw/zinc/28/15/84/683281584.db2.gz PZWGDHXGRSNPDQ-GOSISDBHSA-N 1 3 354.539 2.003 20 0 FEADHO Cc1ccnc(CN[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1Br ZINC000865460444 683985855 /nfs/dbraw/zinc/98/58/55/683985855.db2.gz JLTAVAMPFPIPNC-CQSZACIVSA-N 1 3 367.335 2.411 20 0 FEADHO Cc1ccnc(CN[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1Br ZINC000865460444 683985857 /nfs/dbraw/zinc/98/58/57/683985857.db2.gz JLTAVAMPFPIPNC-CQSZACIVSA-N 1 3 367.335 2.411 20 0 FEADHO CC(C)[NH+]1CCC(CCNCc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000865717146 684018310 /nfs/dbraw/zinc/01/83/10/684018310.db2.gz QLNRKRKYXMLQQJ-UHFFFAOYSA-N 1 3 357.495 2.073 20 0 FEADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923454667 684283818 /nfs/dbraw/zinc/28/38/18/684283818.db2.gz IEYUDYYKPHEGEF-SFFUCWETSA-N 1 3 351.535 2.146 20 0 FEADHO COc1ccc(NC(=O)CCN2CCC(O)(C[NH+](C)C)CC2)cc1Cl ZINC000931483212 684290372 /nfs/dbraw/zinc/29/03/72/684290372.db2.gz YKILENCKLQGQCM-UHFFFAOYSA-N 1 3 369.893 2.066 20 0 FEADHO C[C@@H]1CN(CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC[C@@H]1C[NH3+] ZINC000923500417 684293718 /nfs/dbraw/zinc/29/37/18/684293718.db2.gz QCMRENWGIPQYJV-TZMCWYRMSA-N 1 3 359.392 2.118 20 0 FEADHO CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H]2C[C@@H]([NH3+])C23CCC3)s1 ZINC000925489238 684565632 /nfs/dbraw/zinc/56/56/32/684565632.db2.gz JLABBAKIZKDGFH-HUUCEWRRSA-N 1 3 371.572 2.181 20 0 FEADHO O[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)COc1ccc(F)c(F)c1 ZINC000925499616 684566437 /nfs/dbraw/zinc/56/64/37/684566437.db2.gz RLEWWFAAJCQBIH-ALKREAHSSA-N 1 3 354.441 2.462 20 0 FEADHO CC1(C)C[C@@H](NCc2ccc(N3CCCS3(=O)=O)c(F)c2)C[C@@H]([NH3+])C1 ZINC000925646924 684575744 /nfs/dbraw/zinc/57/57/44/684575744.db2.gz WRPMDPAHFYTEIV-CABCVRRESA-N 1 3 369.506 2.361 20 0 FEADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000925783933 684585036 /nfs/dbraw/zinc/58/50/36/684585036.db2.gz POQIKWCTRNXPED-GXTWGEPZSA-N 1 3 361.458 2.344 20 0 FEADHO Cc1sc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1Br ZINC000873044522 685057730 /nfs/dbraw/zinc/05/77/30/685057730.db2.gz PVSGEPNWENVHCG-LBPRGKRZSA-N 1 3 374.348 2.496 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876849965 686281494 /nfs/dbraw/zinc/28/14/94/686281494.db2.gz DDJVHRIEVDYXOM-DDJMYBDESA-N 1 3 351.441 2.411 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876849967 686281528 /nfs/dbraw/zinc/28/15/28/686281528.db2.gz DDJVHRIEVDYXOM-PMGBHYCQSA-N 1 3 351.441 2.411 20 0 FEADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)cc1 ZINC000877138300 686330538 /nfs/dbraw/zinc/33/05/38/686330538.db2.gz SSNIDZUTUFHTJV-LXTVHRRPSA-N 1 3 358.360 2.424 20 0 FEADHO C[NH+]1CCC(CNCc2ccccc2S(=O)(=O)NC(C)(C)C)CC1 ZINC000892721517 689234622 /nfs/dbraw/zinc/23/46/22/689234622.db2.gz BIEJKTXQSNBIOF-UHFFFAOYSA-N 1 3 353.532 2.195 20 0 FEADHO C[C@H](N[C@H]1Cc2cc(Br)cnc2NC1=O)C1CC[NH+](C)CC1 ZINC000903325234 690882351 /nfs/dbraw/zinc/88/23/51/690882351.db2.gz KPKFUIYZLNMVCI-HZMBPMFUSA-N 1 3 367.291 2.027 20 0 FEADHO Cc1ccc(C(=O)NC2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)s1 ZINC000903727167 690967284 /nfs/dbraw/zinc/96/72/84/690967284.db2.gz RKISXFAGCFDTEJ-APWZRJJASA-N 1 3 363.527 2.019 20 0 FEADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(CN(C)C)ccn1)C2 ZINC001164816390 720184837 /nfs/dbraw/zinc/18/48/37/720184837.db2.gz LFTFVZQVXZUVHF-TZIWHRDSSA-N 1 3 358.530 2.328 20 0 FEADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(CN(C)C)ccn1)C2 ZINC001164816390 720184846 /nfs/dbraw/zinc/18/48/46/720184846.db2.gz LFTFVZQVXZUVHF-TZIWHRDSSA-N 1 3 358.530 2.328 20 0 FEADHO Cn1cc(CN2CC[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)C[C@@H]3C2)cn1 ZINC001164762603 721167008 /nfs/dbraw/zinc/16/70/08/721167008.db2.gz CZOTYRJYSFAOFD-OALUTQOASA-N 1 3 366.513 2.374 20 0 FEADHO CN(CCNC(=O)N1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000054762179 540607435 /nfs/dbraw/zinc/60/74/35/540607435.db2.gz JMWILBUWALKVMO-UHFFFAOYSA-N 1 3 353.470 2.045 20 0 FEADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000057204934 540778649 /nfs/dbraw/zinc/77/86/49/540778649.db2.gz FRLILGPBNLCLIT-LJQANCHMSA-N 1 3 367.497 2.086 20 0 FEADHO CO[C@H]1CCC[C@@H](C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000551132207 674125948 /nfs/dbraw/zinc/12/59/48/674125948.db2.gz HDQIDECEXJQXJH-MSOLQXFVSA-N 1 3 351.535 2.258 20 0 FEADHO CC[N@@H+]1CCC[C@H](CNC(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000073125199 541921877 /nfs/dbraw/zinc/92/18/77/541921877.db2.gz KCKHCRMCKFDUEJ-HXUWFJFHSA-N 1 3 372.557 2.355 20 0 FEADHO CC[N@H+]1CCC[C@H](CNC(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000073125199 541921879 /nfs/dbraw/zinc/92/18/79/541921879.db2.gz KCKHCRMCKFDUEJ-HXUWFJFHSA-N 1 3 372.557 2.355 20 0 FEADHO COCCN(C)CCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000073203255 541928870 /nfs/dbraw/zinc/92/88/70/541928870.db2.gz ZCCDKXVCZFUBJZ-MOPGFXCFSA-N 1 3 368.566 2.251 20 0 FEADHO COCCN(C)CCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000073203255 541928874 /nfs/dbraw/zinc/92/88/74/541928874.db2.gz ZCCDKXVCZFUBJZ-MOPGFXCFSA-N 1 3 368.566 2.251 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000073662074 541983135 /nfs/dbraw/zinc/98/31/35/541983135.db2.gz JQDVAHUIDMKDGC-OTWHNJEPSA-N 1 3 368.566 2.107 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000073662074 541983139 /nfs/dbraw/zinc/98/31/39/541983139.db2.gz JQDVAHUIDMKDGC-OTWHNJEPSA-N 1 3 368.566 2.107 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000073713170 541990136 /nfs/dbraw/zinc/99/01/36/541990136.db2.gz CEXZLEYZXLDILY-IBGZPJMESA-N 1 3 362.518 2.000 20 0 FEADHO Cc1cccc2c(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)c[nH]c21 ZINC000074507785 542093078 /nfs/dbraw/zinc/09/30/78/542093078.db2.gz JCQPCCTYODEFIJ-UHFFFAOYSA-N 1 3 359.518 2.154 20 0 FEADHO COc1cccc(F)c1[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000074740479 542116497 /nfs/dbraw/zinc/11/64/97/542116497.db2.gz XEFFUEWAXAITMW-AWEZNQCLSA-N 1 3 354.470 2.030 20 0 FEADHO C[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N1CCC(C)CC1 ZINC000074867569 542130765 /nfs/dbraw/zinc/13/07/65/542130765.db2.gz YSVFUCOULYSUTF-IEBWSBKVSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N1CCC(C)CC1 ZINC000074867569 542130767 /nfs/dbraw/zinc/13/07/67/542130767.db2.gz YSVFUCOULYSUTF-IEBWSBKVSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000077553094 542397491 /nfs/dbraw/zinc/39/74/91/542397491.db2.gz OYDUEIKNVKPVHF-ROUUACIJSA-N 1 3 366.550 2.003 20 0 FEADHO C[C@@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000077553094 542397494 /nfs/dbraw/zinc/39/74/94/542397494.db2.gz OYDUEIKNVKPVHF-ROUUACIJSA-N 1 3 366.550 2.003 20 0 FEADHO CN1CCC(O)(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000077690727 542408122 /nfs/dbraw/zinc/40/81/22/542408122.db2.gz GFWUTPPQYZRKQS-UHFFFAOYSA-N 1 3 374.529 2.293 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000085356609 542725354 /nfs/dbraw/zinc/72/53/54/542725354.db2.gz SQAPGEMNPGEWCU-RBUKOAKNSA-N 1 3 360.502 2.201 20 0 FEADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000085356609 542725357 /nfs/dbraw/zinc/72/53/57/542725357.db2.gz SQAPGEMNPGEWCU-RBUKOAKNSA-N 1 3 360.502 2.201 20 0 FEADHO CN(C)CCN(Cc1ccco1)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000088250530 542749275 /nfs/dbraw/zinc/74/92/75/542749275.db2.gz PIJIEQFCQRQAGA-UHFFFAOYSA-N 1 3 373.501 2.166 20 0 FEADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cccc3c[nH]nc32)CC1 ZINC000092426567 542863337 /nfs/dbraw/zinc/86/33/37/542863337.db2.gz UYRYVJPIRQIGJO-UHFFFAOYSA-N 1 3 371.529 2.479 20 0 FEADHO CCN1CCN(c2ccccc2C[NH+]2CCC(N3CCCC3=O)CC2)CC1 ZINC000093088238 542908040 /nfs/dbraw/zinc/90/80/40/542908040.db2.gz CWVXJEBGMBYHNI-UHFFFAOYSA-N 1 3 370.541 2.415 20 0 FEADHO CCN1CCCC[C@H]1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093124954 542909863 /nfs/dbraw/zinc/90/98/63/542909863.db2.gz BNRGOYKEYJPCPN-IBGZPJMESA-N 1 3 359.518 2.472 20 0 FEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000093138978 542912391 /nfs/dbraw/zinc/91/23/91/542912391.db2.gz QOAWOJMKTBOBFI-PKOBYXMFSA-N 1 3 359.518 2.470 20 0 FEADHO C[C@@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)N1[C@H](C)CC[C@H]1C ZINC000101663054 543040488 /nfs/dbraw/zinc/04/04/88/543040488.db2.gz UZLKYEIOHJGJSI-KFWWJZLASA-N 1 3 374.485 2.356 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000106527346 543233818 /nfs/dbraw/zinc/23/38/18/543233818.db2.gz ZBENRWBXKODBCK-GOSISDBHSA-N 1 3 374.529 2.443 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000106527346 543233821 /nfs/dbraw/zinc/23/38/21/543233821.db2.gz ZBENRWBXKODBCK-GOSISDBHSA-N 1 3 374.529 2.443 20 0 FEADHO CC[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000108552535 543293758 /nfs/dbraw/zinc/29/37/58/543293758.db2.gz RGXRSUQKKQPKPP-PXNSSMCTSA-N 1 3 358.530 2.464 20 0 FEADHO CC[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000108552535 543293761 /nfs/dbraw/zinc/29/37/61/543293761.db2.gz RGXRSUQKKQPKPP-PXNSSMCTSA-N 1 3 358.530 2.464 20 0 FEADHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000111864789 543421894 /nfs/dbraw/zinc/42/18/94/543421894.db2.gz RHEWKFWXTKPBCI-HXUWFJFHSA-N 1 3 374.529 2.015 20 0 FEADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000111864789 543421895 /nfs/dbraw/zinc/42/18/95/543421895.db2.gz RHEWKFWXTKPBCI-HXUWFJFHSA-N 1 3 374.529 2.015 20 0 FEADHO CCOC[C@@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000113974201 543499795 /nfs/dbraw/zinc/49/97/95/543499795.db2.gz LFCCOZRNDKLVKP-QGZVFWFLSA-N 1 3 366.550 2.003 20 0 FEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000114834938 543538769 /nfs/dbraw/zinc/53/87/69/543538769.db2.gz RDNZREZPIXEODE-WOJBJXKFSA-N 1 3 356.514 2.435 20 0 FEADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000114834938 543538771 /nfs/dbraw/zinc/53/87/71/543538771.db2.gz RDNZREZPIXEODE-WOJBJXKFSA-N 1 3 356.514 2.435 20 0 FEADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000124752822 543840691 /nfs/dbraw/zinc/84/06/91/543840691.db2.gz PACIPQYYVBKEDG-GOSISDBHSA-N 1 3 352.567 2.173 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000247491087 549343806 /nfs/dbraw/zinc/34/38/06/549343806.db2.gz LRNMYPYVUJGIBZ-QZTJIDSGSA-N 1 3 354.539 2.051 20 0 FEADHO COCCN1CCC[C@@H]1CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000247491087 549343809 /nfs/dbraw/zinc/34/38/09/549343809.db2.gz LRNMYPYVUJGIBZ-QZTJIDSGSA-N 1 3 354.539 2.051 20 0 FEADHO CCN1CCC(NC(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)CC1 ZINC000129008011 544086306 /nfs/dbraw/zinc/08/63/06/544086306.db2.gz HPPBNYNGROGQRD-UHFFFAOYSA-N 1 3 368.566 2.251 20 0 FEADHO CCN1CCC(NC(=O)N2CCC(CCC[N@@H+](C)CCOC)CC2)CC1 ZINC000129008011 544086307 /nfs/dbraw/zinc/08/63/07/544086307.db2.gz HPPBNYNGROGQRD-UHFFFAOYSA-N 1 3 368.566 2.251 20 0 FEADHO C[NH+](C)CCCC1CCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000132797792 544244182 /nfs/dbraw/zinc/24/41/82/544244182.db2.gz GRKVCSZFEJBUEZ-LJQANCHMSA-N 1 3 351.535 2.210 20 0 FEADHO O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000133589452 544275728 /nfs/dbraw/zinc/27/57/28/544275728.db2.gz PBPZJHAIVSFJQC-HUUCEWRRSA-N 1 3 353.557 2.171 20 0 FEADHO CC[NH+]1CCC(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000133763790 544282435 /nfs/dbraw/zinc/28/24/35/544282435.db2.gz PGPIMAXRVMSOII-INIZCTEOSA-N 1 3 359.518 2.391 20 0 FEADHO CC[C@@]1(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)CCC[NH2+]1 ZINC000134598237 544314683 /nfs/dbraw/zinc/31/46/83/544314683.db2.gz VPDCITAVKRWFJN-FPOVZHCZSA-N 1 3 359.514 2.080 20 0 FEADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000152413089 544650155 /nfs/dbraw/zinc/65/01/55/544650155.db2.gz JECXTEPTRURXJX-HOTGVXAUSA-N 1 3 363.527 2.361 20 0 FEADHO CCN1CCC(NC(=O)CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000154751773 544944688 /nfs/dbraw/zinc/94/46/88/544944688.db2.gz QMDQFTQPULZKNM-LJQANCHMSA-N 1 3 364.578 2.031 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000180303646 327680428 /nfs/dbraw/zinc/68/04/28/327680428.db2.gz AINIPGGNGCBSRB-UHFFFAOYSA-N 1 3 371.529 2.472 20 0 FEADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000186659773 327973826 /nfs/dbraw/zinc/97/38/26/327973826.db2.gz HTTFWOYTKGWHSD-MRXNPFEDSA-N 1 3 360.502 2.067 20 0 FEADHO CSCCCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000187799843 328047004 /nfs/dbraw/zinc/04/70/04/328047004.db2.gz MUILFWQSBFPOMW-UHFFFAOYSA-N 1 3 356.580 2.378 20 0 FEADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000190842660 328235626 /nfs/dbraw/zinc/23/56/26/328235626.db2.gz LVXRALOEFUMZKS-UXHICEINSA-N 1 3 374.529 2.013 20 0 FEADHO CC(C)N1CCN(CCC[NH+]2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC000191408456 328264227 /nfs/dbraw/zinc/26/42/27/328264227.db2.gz KCQYHSBAGJHGKX-UHFFFAOYSA-N 1 3 364.578 2.127 20 0 FEADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)C[C@@H](C)O1 ZINC000191984224 328291767 /nfs/dbraw/zinc/29/17/67/328291767.db2.gz KNIKNQVWEXJTGE-NUJGCVRESA-N 1 3 350.503 2.293 20 0 FEADHO C[C@H]([NH3+])[C@H](C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000192119092 328300663 /nfs/dbraw/zinc/30/06/63/328300663.db2.gz RUJAMEXLEFWNON-KBPBESRZSA-N 1 3 353.894 2.283 20 0 FEADHO C[C@H](CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[N@H+](C)C1CC1 ZINC000192383962 328316823 /nfs/dbraw/zinc/31/68/23/328316823.db2.gz RACGSNBVEYGLOC-XLIONFOSSA-N 1 3 374.529 2.059 20 0 FEADHO C[C@H](CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[N@@H+](C)C1CC1 ZINC000192383962 328316825 /nfs/dbraw/zinc/31/68/25/328316825.db2.gz RACGSNBVEYGLOC-XLIONFOSSA-N 1 3 374.529 2.059 20 0 FEADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)CC1 ZINC000192743784 328336933 /nfs/dbraw/zinc/33/69/33/328336933.db2.gz KLHKPUALAJSBBT-LJQANCHMSA-N 1 3 370.545 2.325 20 0 FEADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)CC1 ZINC000192743784 328336934 /nfs/dbraw/zinc/33/69/34/328336934.db2.gz KLHKPUALAJSBBT-LJQANCHMSA-N 1 3 370.545 2.325 20 0 FEADHO COCCN1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000195141414 328458060 /nfs/dbraw/zinc/45/80/60/328458060.db2.gz UCXWWFQEGLKNRM-IBGZPJMESA-N 1 3 368.566 2.153 20 0 FEADHO CN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCN(CCc2ccccn2)CC1 ZINC000237286486 328511011 /nfs/dbraw/zinc/51/10/11/328511011.db2.gz WTASTTHLHHVEEF-CTXDPNEZSA-N 1 3 370.541 2.468 20 0 FEADHO C[C@]1(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCCC[NH2+]1 ZINC000237551091 328519618 /nfs/dbraw/zinc/51/96/18/328519618.db2.gz PDEAWWNDELGIRG-OAQYLSRUSA-N 1 3 358.530 2.237 20 0 FEADHO C[C@H]1CN(CCC2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)C[C@H](C)O1 ZINC000237607197 328522102 /nfs/dbraw/zinc/52/21/02/328522102.db2.gz MZPLNNBKHXKHNT-IRXDYDNUSA-N 1 3 359.514 2.497 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085367040 325251630 /nfs/dbraw/zinc/25/16/30/325251630.db2.gz RLJSCKXGRPFYEM-INIZCTEOSA-N 1 3 356.555 2.151 20 0 FEADHO COC(=O)c1oc([C@H](C)N(C)CCN(C)C2CC[NH+](C)CC2)cc1C ZINC000089269370 325309395 /nfs/dbraw/zinc/30/93/95/325309395.db2.gz ZDEVFCKZXXLEON-HNNXBMFYSA-N 1 3 351.491 2.393 20 0 FEADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000091372402 325385635 /nfs/dbraw/zinc/38/56/35/325385635.db2.gz XYWVAFWHPUENLR-OAHLLOKOSA-N 1 3 374.510 2.296 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103514867 325523350 /nfs/dbraw/zinc/52/33/50/325523350.db2.gz OTSHKBGWLYYLEF-UHFFFAOYSA-N 1 3 362.518 2.110 20 0 FEADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H](C)N(C)C2CC2)c1 ZINC000118129929 326085141 /nfs/dbraw/zinc/08/51/41/326085141.db2.gz HFFPGZXDAXYRJH-HNNXBMFYSA-N 1 3 360.502 2.066 20 0 FEADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000119074568 326124423 /nfs/dbraw/zinc/12/44/23/326124423.db2.gz JDPMYYXKGQNQQE-UWJYYQICSA-N 1 3 373.541 2.303 20 0 FEADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000119074568 326124425 /nfs/dbraw/zinc/12/44/25/326124425.db2.gz JDPMYYXKGQNQQE-UWJYYQICSA-N 1 3 373.541 2.303 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000119080618 326124884 /nfs/dbraw/zinc/12/48/84/326124884.db2.gz YNWUNXNQCDFCFH-DYESRHJHSA-N 1 3 373.541 2.446 20 0 FEADHO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC[N@H+]1C ZINC000119080618 326124885 /nfs/dbraw/zinc/12/48/85/326124885.db2.gz YNWUNXNQCDFCFH-DYESRHJHSA-N 1 3 373.541 2.446 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CN1C1CC1 ZINC000120872194 326295198 /nfs/dbraw/zinc/29/51/98/326295198.db2.gz ODKTWKIMNAZRDU-DOTOQJQBSA-N 1 3 360.502 2.051 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000121953010 326377851 /nfs/dbraw/zinc/37/78/51/326377851.db2.gz OYQXKBWDGDLEIH-NCXUSEDFSA-N 1 3 366.550 2.002 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000121953010 326377852 /nfs/dbraw/zinc/37/78/52/326377852.db2.gz OYQXKBWDGDLEIH-NCXUSEDFSA-N 1 3 366.550 2.002 20 0 FEADHO Cc1ccccc1-n1nccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000133393658 326608114 /nfs/dbraw/zinc/60/81/14/326608114.db2.gz ZUBFYKYNSROBHG-UHFFFAOYSA-N 1 3 358.490 2.138 20 0 FEADHO C[C@H](C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)CN1CCOCC1 ZINC000150961553 326672031 /nfs/dbraw/zinc/67/20/31/326672031.db2.gz HYGYGOKONNPRIQ-LJQANCHMSA-N 1 3 374.573 2.275 20 0 FEADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000163065997 327041923 /nfs/dbraw/zinc/04/19/23/327041923.db2.gz IANWFGZGUOXBTH-PKOBYXMFSA-N 1 3 359.514 2.090 20 0 FEADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000168950474 327087917 /nfs/dbraw/zinc/08/79/17/327087917.db2.gz ORGHQCSKMHKFBA-LJQANCHMSA-N 1 3 351.922 2.307 20 0 FEADHO CSCC[C@H](N)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000169094093 327088067 /nfs/dbraw/zinc/08/80/67/327088067.db2.gz HMNZIUSHGJQMNH-INIZCTEOSA-N 1 3 351.516 2.489 20 0 FEADHO O=C(CN1CC[C@H](N2CCCC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170740177 327096151 /nfs/dbraw/zinc/09/61/51/327096151.db2.gz WIDPFXQXTJDEDF-NRFANRHFSA-N 1 3 370.541 2.069 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CCCC[N@@H+]3CC)cc2)CC1 ZINC000173310488 327249140 /nfs/dbraw/zinc/24/91/40/327249140.db2.gz KXDRDMVGCNVYBH-FQEVSTJZSA-N 1 3 358.530 2.433 20 0 FEADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CCCC[N@H+]3CC)cc2)CC1 ZINC000173310488 327249141 /nfs/dbraw/zinc/24/91/41/327249141.db2.gz KXDRDMVGCNVYBH-FQEVSTJZSA-N 1 3 358.530 2.433 20 0 FEADHO CN(C)[C@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccccc1 ZINC000173326019 327249845 /nfs/dbraw/zinc/24/98/45/327249845.db2.gz WSPRDXANFPTTMT-RBUKOAKNSA-N 1 3 362.518 2.042 20 0 FEADHO C[NH+](C)CCn1ccc(NC(=O)N2CCN(CCC(C)(C)C)CC2)n1 ZINC000173917636 327294352 /nfs/dbraw/zinc/29/43/52/327294352.db2.gz HEZFXRUQIRBSQA-UHFFFAOYSA-N 1 3 350.511 2.030 20 0 FEADHO Cc1ccccc1OC[C@@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173947697 327296861 /nfs/dbraw/zinc/29/68/61/327296861.db2.gz SXYZLHXQBXLLDH-IBGZPJMESA-N 1 3 362.514 2.312 20 0 FEADHO COc1ccc(COC[C@@H](O)C[N@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC000173962663 327298202 /nfs/dbraw/zinc/29/82/02/327298202.db2.gz FBCIJINEHZAQGO-MOPGFXCFSA-N 1 3 350.503 2.379 20 0 FEADHO COc1ccc(COC[C@@H](O)C[N@@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC000173962663 327298204 /nfs/dbraw/zinc/29/82/04/327298204.db2.gz FBCIJINEHZAQGO-MOPGFXCFSA-N 1 3 350.503 2.379 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174192807 327311962 /nfs/dbraw/zinc/31/19/62/327311962.db2.gz CAPAHHUHUWZSQF-PMACEKPBSA-N 1 3 358.530 2.287 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000176064762 327431753 /nfs/dbraw/zinc/43/17/53/327431753.db2.gz MCWOTLZTSQGOSM-MRXNPFEDSA-N 1 3 374.529 2.233 20 0 FEADHO CCCC[NH+]1CCC(NC(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000176297002 327446898 /nfs/dbraw/zinc/44/68/98/327446898.db2.gz BVGAXNCFHGGPDH-UHFFFAOYSA-N 1 3 368.566 2.440 20 0 FEADHO NC(=O)C1CCN(Cc2cccc(NC(=O)CCCCCC[NH3+])c2)CC1 ZINC000262666317 328879651 /nfs/dbraw/zinc/87/96/51/328879651.db2.gz PPSPAJKZLJHSDG-UHFFFAOYSA-N 1 3 360.502 2.232 20 0 FEADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])ccc2oc1=O ZINC000263003890 328907585 /nfs/dbraw/zinc/90/75/85/328907585.db2.gz OYUPDXVRLLDVJR-IFXJQAMLSA-N 1 3 360.458 2.002 20 0 FEADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264658054 329045285 /nfs/dbraw/zinc/04/52/85/329045285.db2.gz YAJUYWCDHLHQNW-LJQANCHMSA-N 1 3 374.529 2.397 20 0 FEADHO C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000264658054 329045287 /nfs/dbraw/zinc/04/52/87/329045287.db2.gz YAJUYWCDHLHQNW-LJQANCHMSA-N 1 3 374.529 2.397 20 0 FEADHO CC[C@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)N(CC)CC ZINC000265404786 329123354 /nfs/dbraw/zinc/12/33/54/329123354.db2.gz BLVFXPHQDSBINB-OAHLLOKOSA-N 1 3 362.474 2.215 20 0 FEADHO CC(C)[NH2+]C1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000266781256 329259323 /nfs/dbraw/zinc/25/93/23/329259323.db2.gz JXXKIYSKEVQRNZ-UHFFFAOYSA-N 1 3 358.530 2.258 20 0 FEADHO O=C1CCN(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000273005902 329829545 /nfs/dbraw/zinc/82/95/45/329829545.db2.gz AHXSXJYPWWBMQJ-UHFFFAOYSA-N 1 3 359.514 2.270 20 0 FEADHO C[NH+](C)[C@H](CNC(=O)CN1CCC(c2ncc[nH]2)CC1)c1ccccc1 ZINC000274107435 329916485 /nfs/dbraw/zinc/91/64/85/329916485.db2.gz TUTQHNBUZQETGD-GOSISDBHSA-N 1 3 355.486 2.008 20 0 FEADHO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)[C@H](c1ccccc1)N(C)C ZINC000276564426 330165206 /nfs/dbraw/zinc/16/52/06/330165206.db2.gz HRGIZXNSFVFYSK-FFZOFVMBSA-N 1 3 359.514 2.437 20 0 FEADHO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)[C@H](c1ccccc1)N(C)C ZINC000276564426 330165208 /nfs/dbraw/zinc/16/52/08/330165208.db2.gz HRGIZXNSFVFYSK-FFZOFVMBSA-N 1 3 359.514 2.437 20 0 FEADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367262007 330237609 /nfs/dbraw/zinc/23/76/09/330237609.db2.gz HTGDCAKCVFOCHI-UZLBHIALSA-N 1 3 371.529 2.422 20 0 FEADHO CC(C)[C@H](C[NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000433153871 330273555 /nfs/dbraw/zinc/27/35/55/330273555.db2.gz QWQZAJAVUZJFSC-SFHVURJKSA-N 1 3 351.466 2.016 20 0 FEADHO C[C@@]1([NH2+]CC2(CN[C@@]3(C)CCO[C@@H]3C3CC3)COC2)CCO[C@@H]1C1CC1 ZINC000359962007 534274881 /nfs/dbraw/zinc/27/48/81/534274881.db2.gz UOCHWGIFXYQOJU-WTGUMLROSA-N 1 3 364.530 2.097 20 0 FEADHO C[C@@]1(NCC2(C[NH2+][C@@]3(C)CCO[C@@H]3C3CC3)COC2)CCO[C@@H]1C1CC1 ZINC000359962007 534274886 /nfs/dbraw/zinc/27/48/86/534274886.db2.gz UOCHWGIFXYQOJU-WTGUMLROSA-N 1 3 364.530 2.097 20 0 FEADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000155699171 545559357 /nfs/dbraw/zinc/55/93/57/545559357.db2.gz CPHBTZTXCBHMPG-HOTGVXAUSA-N 1 3 362.518 2.330 20 0 FEADHO COc1cnccc1N1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000478437226 561166826 /nfs/dbraw/zinc/16/68/26/561166826.db2.gz HIKIHYGSDZEEBQ-QGZVFWFLSA-N 1 3 372.513 2.393 20 0 FEADHO COc1cnccc1N1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000478437226 561166827 /nfs/dbraw/zinc/16/68/27/561166827.db2.gz HIKIHYGSDZEEBQ-QGZVFWFLSA-N 1 3 372.513 2.393 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCCC[C@H]3C[NH+](C)C)cc2)CC1 ZINC000172770633 546266302 /nfs/dbraw/zinc/26/63/02/546266302.db2.gz DZYIPOGERRMJCL-FQEVSTJZSA-N 1 3 358.530 2.385 20 0 FEADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CN(CC(C)C)CCO2)[C@H](C)C1 ZINC000480012031 561201357 /nfs/dbraw/zinc/20/13/57/561201357.db2.gz IDOUBXJNYXWTSA-AABGKKOBSA-N 1 3 355.567 2.070 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CN(CC(C)C)CCO2)[C@H](C)C1 ZINC000480012031 561201358 /nfs/dbraw/zinc/20/13/58/561201358.db2.gz IDOUBXJNYXWTSA-AABGKKOBSA-N 1 3 355.567 2.070 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2CN(CC(C)C)CCO2)[C@H](C)C1 ZINC000480012031 561201359 /nfs/dbraw/zinc/20/13/59/561201359.db2.gz IDOUBXJNYXWTSA-AABGKKOBSA-N 1 3 355.567 2.070 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000176085335 546403783 /nfs/dbraw/zinc/40/37/83/546403783.db2.gz IEBLDZIUSQEGOH-GOSISDBHSA-N 1 3 374.529 2.232 20 0 FEADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000176085335 546403791 /nfs/dbraw/zinc/40/37/91/546403791.db2.gz IEBLDZIUSQEGOH-GOSISDBHSA-N 1 3 374.529 2.232 20 0 FEADHO CCSCC[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176382835 546438923 /nfs/dbraw/zinc/43/89/23/546438923.db2.gz JURHVVDWUGADRL-OAHLLOKOSA-N 1 3 356.580 2.376 20 0 FEADHO CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CN4CCN3CCC4)cc2)CC1 ZINC000480501659 561210623 /nfs/dbraw/zinc/21/06/23/561210623.db2.gz VYYAICJOFFDJBZ-HXUWFJFHSA-N 1 3 356.514 2.247 20 0 FEADHO CCOCCC[N@@H+]1CC[C@H](NCCNC(=O)c2cccc(C)c2)[C@H](C)C1 ZINC000480913037 561220053 /nfs/dbraw/zinc/22/00/53/561220053.db2.gz SYJABTJRJDAZSZ-QUCCMNQESA-N 1 3 361.530 2.451 20 0 FEADHO CCOCCC[N@H+]1CC[C@H](NCCNC(=O)c2cccc(C)c2)[C@H](C)C1 ZINC000480913037 561220054 /nfs/dbraw/zinc/22/00/54/561220054.db2.gz SYJABTJRJDAZSZ-QUCCMNQESA-N 1 3 361.530 2.451 20 0 FEADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481064882 561224369 /nfs/dbraw/zinc/22/43/69/561224369.db2.gz WJNVBGYTEWTLSN-FUHWJXTLSA-N 1 3 356.580 2.235 20 0 FEADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481064882 561224370 /nfs/dbraw/zinc/22/43/70/561224370.db2.gz WJNVBGYTEWTLSN-FUHWJXTLSA-N 1 3 356.580 2.235 20 0 FEADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481260503 561229174 /nfs/dbraw/zinc/22/91/74/561229174.db2.gz DIXNWYQQZFZUDR-MAUKXSAKSA-N 1 3 356.580 2.233 20 0 FEADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000481260503 561229175 /nfs/dbraw/zinc/22/91/75/561229175.db2.gz DIXNWYQQZFZUDR-MAUKXSAKSA-N 1 3 356.580 2.233 20 0 FEADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)C[C@H](C)O1 ZINC000178740223 546842035 /nfs/dbraw/zinc/84/20/35/546842035.db2.gz VAEBPQPAYBACIV-QKLQHJQFSA-N 1 3 359.514 2.077 20 0 FEADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccccc1CN1CCC(O)CC1 ZINC000178832658 546857867 /nfs/dbraw/zinc/85/78/67/546857867.db2.gz BRMIJEMKJZGZJI-XGSMCBPESA-N 1 3 371.525 2.180 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000482555375 561255841 /nfs/dbraw/zinc/25/58/41/561255841.db2.gz YJHPUDZUUFZDKA-HMXCVIKNSA-N 1 3 372.557 2.074 20 0 FEADHO Cc1ccc(OC[C@@H](O)CN(C)CCN(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000180961526 547220857 /nfs/dbraw/zinc/22/08/57/547220857.db2.gz UEEUUAPZRCZIJK-FQEVSTJZSA-N 1 3 363.546 2.001 20 0 FEADHO Cc1ccc(OC[C@H](O)CN(C)CCN(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000180961509 547221276 /nfs/dbraw/zinc/22/12/76/547221276.db2.gz UEEUUAPZRCZIJK-HXUWFJFHSA-N 1 3 363.546 2.001 20 0 FEADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000181975164 547415264 /nfs/dbraw/zinc/41/52/64/547415264.db2.gz ZOIPVVDIXPWPJA-QYZOEREBSA-N 1 3 357.498 2.025 20 0 FEADHO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000483748869 561283185 /nfs/dbraw/zinc/28/31/85/561283185.db2.gz VTSRHGMYOFDMGO-IBGZPJMESA-N 1 3 374.529 2.489 20 0 FEADHO C[C@H](CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1)[NH+]1CCCCC1 ZINC000182675062 547531147 /nfs/dbraw/zinc/53/11/47/547531147.db2.gz CWCUVRMIGWJIMF-QZTJIDSGSA-N 1 3 354.539 2.003 20 0 FEADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000484306865 561295893 /nfs/dbraw/zinc/29/58/93/561295893.db2.gz DDTBHTYPSJQMPG-MISYRCLQSA-N 1 3 358.530 2.428 20 0 FEADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000484313079 561296048 /nfs/dbraw/zinc/29/60/48/561296048.db2.gz TVZDDZHPVDCXDZ-RHSMWYFYSA-N 1 3 357.520 2.066 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000183199965 547618619 /nfs/dbraw/zinc/61/86/19/547618619.db2.gz UQAOFOMZOOXSIT-MJGOQNOKSA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000183199965 547618625 /nfs/dbraw/zinc/61/86/25/547618625.db2.gz UQAOFOMZOOXSIT-MJGOQNOKSA-N 1 3 366.550 2.002 20 0 FEADHO CCN1CCN(c2ccc(C(=O)Nc3ccc(OCC[NH3+])cc3)cc2)CC1 ZINC000183268585 547630431 /nfs/dbraw/zinc/63/04/31/547630431.db2.gz PHOBOSLOINTGGB-UHFFFAOYSA-N 1 3 368.481 2.418 20 0 FEADHO COc1cc(NC(=O)CCN2CC[C@H]([C@H](C)[NH3+])C2)c(OC)cc1Cl ZINC000484903930 561308232 /nfs/dbraw/zinc/30/82/32/561308232.db2.gz IEYOPLBEMOIRFP-RYUDHWBXSA-N 1 3 355.866 2.355 20 0 FEADHO C[C@@H]1CN(C(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000184743988 547874319 /nfs/dbraw/zinc/87/43/19/547874319.db2.gz QUQOEQBTTNVRMX-MKXGPGLRSA-N 1 3 373.541 2.368 20 0 FEADHO CN1CCC[C@H](CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)[C@@H]1c1cccs1 ZINC000485795704 561328183 /nfs/dbraw/zinc/32/81/83/561328183.db2.gz XXIDGSDFHFWQLP-HBUWYVDXSA-N 1 3 373.526 2.361 20 0 FEADHO CCc1ccc([C@H](CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)N(C)C)cc1 ZINC000485807872 561328692 /nfs/dbraw/zinc/32/86/92/561328692.db2.gz VPTYNLGBMODDMB-APWZRJJASA-N 1 3 355.486 2.082 20 0 FEADHO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000486097564 561337952 /nfs/dbraw/zinc/33/79/52/561337952.db2.gz YETMVWKIPJEFAW-OQEHDIDLSA-N 1 3 374.525 2.307 20 0 FEADHO COCCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000486097564 561337953 /nfs/dbraw/zinc/33/79/53/561337953.db2.gz YETMVWKIPJEFAW-OQEHDIDLSA-N 1 3 374.525 2.307 20 0 FEADHO COCCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000486097564 561337954 /nfs/dbraw/zinc/33/79/54/561337954.db2.gz YETMVWKIPJEFAW-OQEHDIDLSA-N 1 3 374.525 2.307 20 0 FEADHO CCC(CC)(C[NH3+])C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000236639669 548769787 /nfs/dbraw/zinc/76/97/87/548769787.db2.gz UAPRQSSANBHEAF-CALCHBBNSA-N 1 3 353.551 2.489 20 0 FEADHO CC[NH+](CC)CCOc1ccc(NC(=O)C[C@H]2CSCCN2)cc1 ZINC000236885908 548786246 /nfs/dbraw/zinc/78/62/46/548786246.db2.gz JNBOTQITHCZABC-INIZCTEOSA-N 1 3 351.516 2.441 20 0 FEADHO CCN(C(=O)CNC[C@@H]1CCCO1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000237034003 548796197 /nfs/dbraw/zinc/79/61/97/548796197.db2.gz UVRFUYVXNVRTSS-SXLOBPIMSA-N 1 3 359.514 2.439 20 0 FEADHO CCN(C(=O)CNC[C@@H]1CCCO1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000237034003 548796203 /nfs/dbraw/zinc/79/62/03/548796203.db2.gz UVRFUYVXNVRTSS-SXLOBPIMSA-N 1 3 359.514 2.439 20 0 FEADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000237336104 548820008 /nfs/dbraw/zinc/82/00/08/548820008.db2.gz IXAQCOFPSYIXDC-MOPGFXCFSA-N 1 3 358.530 2.093 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000237401533 548824351 /nfs/dbraw/zinc/82/43/51/548824351.db2.gz YURZDRGOWCAZOY-PSBWJHGTSA-N 1 3 351.535 2.242 20 0 FEADHO [NH3+][C@H]1CC[C@H](C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000237891537 548861801 /nfs/dbraw/zinc/86/18/01/548861801.db2.gz HRDPEHLQLMLVON-HOCLYGCPSA-N 1 3 365.905 2.427 20 0 FEADHO C[C@H](CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)C[NH+]1CCCCC1 ZINC000488412890 561389543 /nfs/dbraw/zinc/38/95/43/561389543.db2.gz DRWNBJXVIQSFBE-YDZRNGNQSA-N 1 3 350.551 2.480 20 0 FEADHO C[C@H](CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)C[NH+]1CCCCC1 ZINC000488412888 561389588 /nfs/dbraw/zinc/38/95/88/561389588.db2.gz DRWNBJXVIQSFBE-FCGDIQPGSA-N 1 3 350.551 2.480 20 0 FEADHO O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000246293106 549098434 /nfs/dbraw/zinc/09/84/34/549098434.db2.gz PBPZJHAIVSFJQC-GJZGRUSLSA-N 1 3 353.557 2.171 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000246671710 549186552 /nfs/dbraw/zinc/18/65/52/549186552.db2.gz FMLAEFIRXWCMOB-ZIFCJYIRSA-N 1 3 351.535 2.114 20 0 FEADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000246671710 549186558 /nfs/dbraw/zinc/18/65/58/549186558.db2.gz FMLAEFIRXWCMOB-ZIFCJYIRSA-N 1 3 351.535 2.114 20 0 FEADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)C[C@H](C)O1 ZINC000246734030 549198697 /nfs/dbraw/zinc/19/86/97/549198697.db2.gz VWWJSYYXLUIALN-ZIFCJYIRSA-N 1 3 356.551 2.374 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC000248399678 549429153 /nfs/dbraw/zinc/42/91/53/549429153.db2.gz PDQXBEJCJNUCLK-OEWRPIJISA-N 1 3 366.509 2.444 20 0 FEADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000248707246 549487970 /nfs/dbraw/zinc/48/79/70/549487970.db2.gz AYIZTPZUDRRJRB-WOJBJXKFSA-N 1 3 354.498 2.164 20 0 FEADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000248707246 549487974 /nfs/dbraw/zinc/48/79/74/549487974.db2.gz AYIZTPZUDRRJRB-WOJBJXKFSA-N 1 3 354.498 2.164 20 0 FEADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000252537959 549672843 /nfs/dbraw/zinc/67/28/43/549672843.db2.gz BWHHDBWGSPKOQD-RDGPPVDQSA-N 1 3 368.566 2.105 20 0 FEADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000252537959 549672847 /nfs/dbraw/zinc/67/28/47/549672847.db2.gz BWHHDBWGSPKOQD-RDGPPVDQSA-N 1 3 368.566 2.105 20 0 FEADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261670755 549740388 /nfs/dbraw/zinc/74/03/88/549740388.db2.gz LPXCBSMSXUJPRW-JSGCOSHPSA-N 1 3 359.392 2.433 20 0 FEADHO O=C(NC[C@@H]1CCCN(CCOc2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000262119692 549790179 /nfs/dbraw/zinc/79/01/79/549790179.db2.gz BWFOEPGCTONUTK-YJBOKZPZSA-N 1 3 365.905 2.299 20 0 FEADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)C[C@@H](C)O1 ZINC000262333712 549811847 /nfs/dbraw/zinc/81/18/47/549811847.db2.gz FIRGQIGNHARWGZ-FAJBIJEISA-N 1 3 351.535 2.112 20 0 FEADHO C[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)CC[NH2+]1 ZINC000262491434 549824164 /nfs/dbraw/zinc/82/41/64/549824164.db2.gz ZMSJNRVEAXOYDC-VDZJLULYSA-N 1 3 372.513 2.179 20 0 FEADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)C[C@H](C)O1 ZINC000263782940 549935913 /nfs/dbraw/zinc/93/59/13/549935913.db2.gz VYMFAPCXMIUYOM-WSTZPKSXSA-N 1 3 362.514 2.248 20 0 FEADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000268799352 550117454 /nfs/dbraw/zinc/11/74/54/550117454.db2.gz APGUADVOOONFRO-FUHWJXTLSA-N 1 3 358.486 2.106 20 0 FEADHO CN(C)Cc1cccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000268974433 550139560 /nfs/dbraw/zinc/13/95/60/550139560.db2.gz PKRFSPZESOVSJA-MOPGFXCFSA-N 1 3 360.502 2.248 20 0 FEADHO [NH3+][C@@H]1CCC[C@H](C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000269280155 550175619 /nfs/dbraw/zinc/17/56/19/550175619.db2.gz FBWXFVCPBYMWJP-LEWJYISDSA-N 1 3 372.557 2.218 20 0 FEADHO Cn1ccnc1[C@@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000271797584 550402630 /nfs/dbraw/zinc/40/26/30/550402630.db2.gz KOBQLCGFOYOIJE-IBGZPJMESA-N 1 3 354.502 2.068 20 0 FEADHO CCC[C@@H](N)C(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000272338288 550438911 /nfs/dbraw/zinc/43/89/11/550438911.db2.gz OLXJNRGIGXZNDI-MRXNPFEDSA-N 1 3 351.491 2.159 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000272534374 550456696 /nfs/dbraw/zinc/45/66/96/550456696.db2.gz FZZDRMTWOQUIMG-POAQFYNOSA-N 1 3 371.529 2.343 20 0 FEADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000272534374 550456699 /nfs/dbraw/zinc/45/66/99/550456699.db2.gz FZZDRMTWOQUIMG-POAQFYNOSA-N 1 3 371.529 2.343 20 0 FEADHO CC[NH+](CC)CCNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 ZINC000277286804 550651936 /nfs/dbraw/zinc/65/19/36/550651936.db2.gz BNKNCGGXFJGYPA-UHFFFAOYSA-N 1 3 357.502 2.183 20 0 FEADHO C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCO1 ZINC000277383020 550663838 /nfs/dbraw/zinc/66/38/38/550663838.db2.gz JVGSLNUUVIUPJX-UYAOXDASSA-N 1 3 374.529 2.061 20 0 FEADHO C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCO1 ZINC000277383020 550663840 /nfs/dbraw/zinc/66/38/40/550663840.db2.gz JVGSLNUUVIUPJX-UYAOXDASSA-N 1 3 374.529 2.061 20 0 FEADHO CCN(CC)[C@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000278427266 550784800 /nfs/dbraw/zinc/78/48/00/550784800.db2.gz YOELAZJCIZOSED-QFBILLFUSA-N 1 3 355.486 2.300 20 0 FEADHO CCN(CC)[C@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000278427269 550785130 /nfs/dbraw/zinc/78/51/30/550785130.db2.gz YOELAZJCIZOSED-VQIMIIECSA-N 1 3 355.486 2.300 20 0 FEADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000280833963 551037376 /nfs/dbraw/zinc/03/73/76/551037376.db2.gz JYFPASFTGPEXMX-KRWDZBQOSA-N 1 3 359.493 2.375 20 0 FEADHO CCN1C[C@H](C)N(c2cc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)ncn2)C[C@@H]1C ZINC000497752997 561508072 /nfs/dbraw/zinc/50/80/72/561508072.db2.gz KHIZUUJRRFJSEC-XSLAGTTESA-N 1 3 360.550 2.314 20 0 FEADHO CCN1C[C@H](C)N(c2cc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)ncn2)C[C@@H]1C ZINC000497752997 561508073 /nfs/dbraw/zinc/50/80/73/561508073.db2.gz KHIZUUJRRFJSEC-XSLAGTTESA-N 1 3 360.550 2.314 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3C(F)(F)F)[C@@H]2C1 ZINC000498440146 561524492 /nfs/dbraw/zinc/52/44/92/561524492.db2.gz GIIZINWJPQRYPL-KBUPBQIOSA-N 1 3 361.452 2.448 20 0 FEADHO CN1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3C(F)(F)F)[C@@H]2C1 ZINC000498440146 561524493 /nfs/dbraw/zinc/52/44/93/561524493.db2.gz GIIZINWJPQRYPL-KBUPBQIOSA-N 1 3 361.452 2.448 20 0 FEADHO C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H](c1ccccc1)N(C)C ZINC000498610580 561530275 /nfs/dbraw/zinc/53/02/75/561530275.db2.gz QKDNVQSSSKDYIP-WDYCEAGBSA-N 1 3 364.559 2.414 20 0 FEADHO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)[C@@H](c1ccccc1)N(C)C ZINC000287237241 551979770 /nfs/dbraw/zinc/97/97/70/551979770.db2.gz AVBJIIUSOSMTNH-AEFFLSMTSA-N 1 3 362.518 2.088 20 0 FEADHO CN1CCC(Oc2ccc(CNC(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000287683764 552034065 /nfs/dbraw/zinc/03/40/65/552034065.db2.gz FBMZXGBLWXILPN-GOSISDBHSA-N 1 3 374.529 2.395 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000287712497 552037299 /nfs/dbraw/zinc/03/72/99/552037299.db2.gz VBFGHDOEASKSAH-KXBFYZLASA-N 1 3 360.502 2.081 20 0 FEADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000287712497 552037300 /nfs/dbraw/zinc/03/73/00/552037300.db2.gz VBFGHDOEASKSAH-KXBFYZLASA-N 1 3 360.502 2.081 20 0 FEADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000288084418 552088023 /nfs/dbraw/zinc/08/80/23/552088023.db2.gz KBGWCRDNCFMEDW-PKOBYXMFSA-N 1 3 374.529 2.395 20 0 FEADHO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000499764742 561557926 /nfs/dbraw/zinc/55/79/26/561557926.db2.gz CCGBHAGZVDKZND-MJGOQNOKSA-N 1 3 368.566 2.249 20 0 FEADHO COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000499764742 561557927 /nfs/dbraw/zinc/55/79/27/561557927.db2.gz CCGBHAGZVDKZND-MJGOQNOKSA-N 1 3 368.566 2.249 20 0 FEADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000289463963 552325854 /nfs/dbraw/zinc/32/58/54/552325854.db2.gz AEEHXZNPZHVPNZ-WOJBJXKFSA-N 1 3 359.514 2.412 20 0 FEADHO COCCOCc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000289888771 552394927 /nfs/dbraw/zinc/39/49/27/552394927.db2.gz XQRDMVYAEMQRLB-UHFFFAOYSA-N 1 3 350.503 2.175 20 0 FEADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000290041391 552418602 /nfs/dbraw/zinc/41/86/02/552418602.db2.gz DLXXZICIFXAPQI-RTWAWAEBSA-N 1 3 372.557 2.339 20 0 FEADHO C[C@@H](C(=O)NCc1ccncc1OCCC[NH+](C)C)N1[C@H](C)CC[C@H]1C ZINC000290554472 552497488 /nfs/dbraw/zinc/49/74/88/552497488.db2.gz FETHYPMDZUZBFR-ZACQAIPSSA-N 1 3 362.518 2.290 20 0 FEADHO C[C@H](C(=O)NCc1ccncc1OCCC[NH+](C)C)N1CCCCCC1 ZINC000290680434 552518752 /nfs/dbraw/zinc/51/87/52/552518752.db2.gz QGGTWFNILGXCAT-QGZVFWFLSA-N 1 3 362.518 2.293 20 0 FEADHO CN(C)[C@]1(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)CCSC1 ZINC000501064632 561588845 /nfs/dbraw/zinc/58/88/45/561588845.db2.gz ADIJQIKTSISRLI-SFHVURJKSA-N 1 3 356.580 2.187 20 0 FEADHO CCOc1cc(C[NH2+]C[C@H](C)CN(C)C)ccc1O[C@H](C)C(=O)N(C)C ZINC000291764938 552659358 /nfs/dbraw/zinc/65/93/58/552659358.db2.gz RZAOFIFLZAPAFP-JKSUJKDBSA-N 1 3 365.518 2.228 20 0 FEADHO CN1CCN(CCCNC(=O)CC[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000292166538 552700357 /nfs/dbraw/zinc/70/03/57/552700357.db2.gz VPBMQWXBSXMRQZ-PMACEKPBSA-N 1 3 358.530 2.014 20 0 FEADHO CN1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccccc3C(F)(F)F)C2)C1 ZINC000292272394 552710873 /nfs/dbraw/zinc/71/08/73/552710873.db2.gz ZQQABXWJGROQQM-RHSMWYFYSA-N 1 3 358.404 2.473 20 0 FEADHO CN1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccccc3C(F)(F)F)C2)C1 ZINC000292272394 552710874 /nfs/dbraw/zinc/71/08/74/552710874.db2.gz ZQQABXWJGROQQM-RHSMWYFYSA-N 1 3 358.404 2.473 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000292654418 552746871 /nfs/dbraw/zinc/74/68/71/552746871.db2.gz QJNCAOMPSRVGED-LAUBAEHRSA-N 1 3 371.529 2.344 20 0 FEADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000292654418 552746872 /nfs/dbraw/zinc/74/68/72/552746872.db2.gz QJNCAOMPSRVGED-LAUBAEHRSA-N 1 3 371.529 2.344 20 0 FEADHO OC1CCN(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000294750477 552931571 /nfs/dbraw/zinc/93/15/71/552931571.db2.gz DDFFOGYPSTVPTA-CEMLEFRQSA-N 1 3 357.542 2.333 20 0 FEADHO OC1CCN(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000294750477 552931572 /nfs/dbraw/zinc/93/15/72/552931572.db2.gz DDFFOGYPSTVPTA-CEMLEFRQSA-N 1 3 357.542 2.333 20 0 FEADHO OC1CCN(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000294750477 552931573 /nfs/dbraw/zinc/93/15/73/552931573.db2.gz DDFFOGYPSTVPTA-CEMLEFRQSA-N 1 3 357.542 2.333 20 0 FEADHO C[C@H]1CCN(C)CCN1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000503023027 561632587 /nfs/dbraw/zinc/63/25/87/561632587.db2.gz VGBVFCDXYYXJPR-SFHVURJKSA-N 1 3 374.529 2.397 20 0 FEADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000503250865 561638136 /nfs/dbraw/zinc/63/81/36/561638136.db2.gz KGBFESJEFARHSC-VAMGGRTRSA-N 1 3 359.514 2.003 20 0 FEADHO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000503250865 561638137 /nfs/dbraw/zinc/63/81/37/561638137.db2.gz KGBFESJEFARHSC-VAMGGRTRSA-N 1 3 359.514 2.003 20 0 FEADHO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000298614895 553449165 /nfs/dbraw/zinc/44/91/65/553449165.db2.gz XOCVWPMGEVEPJS-UHFFFAOYSA-N 1 3 360.502 2.067 20 0 FEADHO CC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC1 ZINC000298859535 553481960 /nfs/dbraw/zinc/48/19/60/553481960.db2.gz FHPFOGUWBDWCMY-UHFFFAOYSA-N 1 3 350.482 2.383 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cc(C)ccc1OC ZINC000505725073 561678615 /nfs/dbraw/zinc/67/86/15/561678615.db2.gz HYPDBNBOPDOFJO-LJQANCHMSA-N 1 3 361.530 2.421 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cc(C)ccc1OC ZINC000505725073 561678616 /nfs/dbraw/zinc/67/86/16/561678616.db2.gz HYPDBNBOPDOFJO-LJQANCHMSA-N 1 3 361.530 2.421 20 0 FEADHO CC[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1c(C)noc1C ZINC000509950698 561819412 /nfs/dbraw/zinc/81/94/12/561819412.db2.gz BMWVRPJVDXHJMV-GOSISDBHSA-N 1 3 362.518 2.460 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000333119111 554575397 /nfs/dbraw/zinc/57/53/97/554575397.db2.gz AICYLKZXVGDDBV-HZPDHXFCSA-N 1 3 354.564 2.035 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)c2)CC1 ZINC000333336766 554604073 /nfs/dbraw/zinc/60/40/73/554604073.db2.gz PBYXBNOSVHJDTL-NRFANRHFSA-N 1 3 371.529 2.436 20 0 FEADHO C[C@@H]1C[C@H](NC(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000333805255 554645009 /nfs/dbraw/zinc/64/50/09/554645009.db2.gz ILXFRULMHBHDKP-VUHPKUFZSA-N 1 3 366.550 2.048 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000333819741 554646410 /nfs/dbraw/zinc/64/64/10/554646410.db2.gz KSJVSUADJASTNP-QRQLOZEOSA-N 1 3 359.518 2.076 20 0 FEADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333835387 554648113 /nfs/dbraw/zinc/64/81/13/554648113.db2.gz KCQQEZNBVFFPGU-HRAJDOBDSA-N 1 3 351.535 2.098 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000362223021 554957140 /nfs/dbraw/zinc/95/71/40/554957140.db2.gz SLPQGOOZQZRPSR-INIZCTEOSA-N 1 3 351.441 2.197 20 0 FEADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCCn1c2ccccc2[nH]c1=O ZINC000362302992 554961626 /nfs/dbraw/zinc/96/16/26/554961626.db2.gz HHIGPTUUBJZYDM-ZACQAIPSSA-N 1 3 358.486 2.221 20 0 FEADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCCn1c2ccccc2[nH]c1=O ZINC000362302992 554961629 /nfs/dbraw/zinc/96/16/29/554961629.db2.gz HHIGPTUUBJZYDM-ZACQAIPSSA-N 1 3 358.486 2.221 20 0 FEADHO O=C(c1ccc(CN2CCC(CO)CC2)cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000362407139 554970447 /nfs/dbraw/zinc/97/04/47/554970447.db2.gz FETZMZMWOXXBCE-OAQYLSRUSA-N 1 3 371.525 2.201 20 0 FEADHO O=C(c1ccc(CN2CCC(CO)CC2)cc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000362407139 554970449 /nfs/dbraw/zinc/97/04/49/554970449.db2.gz FETZMZMWOXXBCE-OAQYLSRUSA-N 1 3 371.525 2.201 20 0 FEADHO CCN1CCCC[C@@H]1CNC(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363186361 555048547 /nfs/dbraw/zinc/04/85/47/555048547.db2.gz PBRJQCYVEPYOGA-LJQANCHMSA-N 1 3 366.550 2.146 20 0 FEADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000363518778 555125823 /nfs/dbraw/zinc/12/58/23/555125823.db2.gz AIMJCJOJVLLZRP-HKUYNNGSSA-N 1 3 361.534 2.323 20 0 FEADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000363518778 555125826 /nfs/dbraw/zinc/12/58/26/555125826.db2.gz AIMJCJOJVLLZRP-HKUYNNGSSA-N 1 3 361.534 2.323 20 0 FEADHO CCN1CCN(CCCCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363598728 555144937 /nfs/dbraw/zinc/14/49/37/555144937.db2.gz CNVKPMRDYPSDLD-LJQANCHMSA-N 1 3 364.578 2.175 20 0 FEADHO CCN1CCN(CCCCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363598728 555144938 /nfs/dbraw/zinc/14/49/38/555144938.db2.gz CNVKPMRDYPSDLD-LJQANCHMSA-N 1 3 364.578 2.175 20 0 FEADHO CCN1CCN(C(=O)CC2CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000363880572 555205869 /nfs/dbraw/zinc/20/58/69/555205869.db2.gz WIBZYNIHCTXQLX-HXUWFJFHSA-N 1 3 364.578 2.127 20 0 FEADHO CCN1CCN(C(=O)CC2CCN(CC[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000363880572 555205870 /nfs/dbraw/zinc/20/58/70/555205870.db2.gz WIBZYNIHCTXQLX-HXUWFJFHSA-N 1 3 364.578 2.127 20 0 FEADHO CCN1CCN(C(=O)CC2CC[NH+](CC[C@H]3CCCCN3C)CC2)CC1 ZINC000363880572 555205871 /nfs/dbraw/zinc/20/58/71/555205871.db2.gz WIBZYNIHCTXQLX-HXUWFJFHSA-N 1 3 364.578 2.127 20 0 FEADHO CC(C)(O)CN1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000364158765 555260241 /nfs/dbraw/zinc/26/02/41/555260241.db2.gz DZRMCZWNONUUIL-UHFFFAOYSA-N 1 3 359.514 2.201 20 0 FEADHO C[C@H](O)C[C@H]1CCCCCN1C[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512443989 561905178 /nfs/dbraw/zinc/90/51/78/561905178.db2.gz JMTPVKHASZDGRX-ALGQRKQJSA-N 1 3 370.578 2.378 20 0 FEADHO C[C@H](O)C[C@H]1CCCCCN1C[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512443989 561905179 /nfs/dbraw/zinc/90/51/79/561905179.db2.gz JMTPVKHASZDGRX-ALGQRKQJSA-N 1 3 370.578 2.378 20 0 FEADHO C[C@H](O)C[C@H]1CCCCC[N@H+]1C[C@H](O)CN1CCCCC[C@H]1C[C@H](C)O ZINC000512443989 561905180 /nfs/dbraw/zinc/90/51/80/561905180.db2.gz JMTPVKHASZDGRX-ALGQRKQJSA-N 1 3 370.578 2.378 20 0 FEADHO C[C@H](O)C[C@H]1CCCCC[N@@H+]1C[C@H](O)CN1CCCCC[C@H]1C[C@H](C)O ZINC000512443989 561905181 /nfs/dbraw/zinc/90/51/81/561905181.db2.gz JMTPVKHASZDGRX-ALGQRKQJSA-N 1 3 370.578 2.378 20 0 FEADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000364831140 555410115 /nfs/dbraw/zinc/41/01/15/555410115.db2.gz UOKWDVRGTAFYGX-ZWKOTPCHSA-N 1 3 366.550 2.002 20 0 FEADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000364831140 555410118 /nfs/dbraw/zinc/41/01/18/555410118.db2.gz UOKWDVRGTAFYGX-ZWKOTPCHSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H](CO)N1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000364935877 555442835 /nfs/dbraw/zinc/44/28/35/555442835.db2.gz NIURWOMMAFRIPJ-GOSISDBHSA-N 1 3 359.514 2.201 20 0 FEADHO CCN1CCN([C@H](C)CNC(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000513202596 561929000 /nfs/dbraw/zinc/92/90/00/561929000.db2.gz SBSUGDXOYHGZOZ-GOSISDBHSA-N 1 3 360.546 2.284 20 0 FEADHO C[NH+](C)C1CCN(CCN[C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000513389042 561936573 /nfs/dbraw/zinc/93/65/73/561936573.db2.gz QRGSPDMOFNKLAP-OAQYLSRUSA-N 1 3 353.514 2.376 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000365872695 555689216 /nfs/dbraw/zinc/68/92/16/555689216.db2.gz ATNZPMRPHUZQBZ-KZNAEPCWSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000365872695 555689218 /nfs/dbraw/zinc/68/92/18/555689218.db2.gz ATNZPMRPHUZQBZ-KZNAEPCWSA-N 1 3 366.550 2.002 20 0 FEADHO C[C@H]1CN(CC2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000366190664 555776327 /nfs/dbraw/zinc/77/63/27/555776327.db2.gz SKMKIMNIMFGDSA-DWRORGKVSA-N 1 3 351.535 2.065 20 0 FEADHO C[C@H]1CN(CC2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000366190664 555776329 /nfs/dbraw/zinc/77/63/29/555776329.db2.gz SKMKIMNIMFGDSA-DWRORGKVSA-N 1 3 351.535 2.065 20 0 FEADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@]3(CCN(C)C3)C2)CC1 ZINC000366263210 555796201 /nfs/dbraw/zinc/79/62/01/555796201.db2.gz KFYHGLKUKGKLDS-FQEVSTJZSA-N 1 3 350.551 2.482 20 0 FEADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)[C@H]1C ZINC000366304607 555807224 /nfs/dbraw/zinc/80/72/24/555807224.db2.gz HZIQUAZTRIXAKK-TXPKVOOTSA-N 1 3 351.535 2.112 20 0 FEADHO O=C(CN1CC[C@@H]([C@@H]2CCOC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000366660140 555901593 /nfs/dbraw/zinc/90/15/93/555901593.db2.gz YREJPUSWDAYTRG-NHCUHLMSSA-N 1 3 371.525 2.257 20 0 FEADHO COC(=O)CCn1nc(C)c(CN2CCCC3(CC[NH+](C)CC3)C2)c1C ZINC000366952914 555980479 /nfs/dbraw/zinc/98/04/79/555980479.db2.gz NGQJYIRHCYKBJR-UHFFFAOYSA-N 1 3 362.518 2.371 20 0 FEADHO CN(C)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000514748329 561977512 /nfs/dbraw/zinc/97/75/12/561977512.db2.gz PIHDVHOFNJHJBG-XNMUZJSGSA-N 1 3 358.530 2.426 20 0 FEADHO CN(C)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000514748329 561977513 /nfs/dbraw/zinc/97/75/13/561977513.db2.gz PIHDVHOFNJHJBG-XNMUZJSGSA-N 1 3 358.530 2.426 20 0 FEADHO CC[N@@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCN(C)CC2)[C@H](C)C1 ZINC000531932273 562461859 /nfs/dbraw/zinc/46/18/59/562461859.db2.gz AZQADVCYCHRERA-FGTMMUONSA-N 1 3 350.576 2.357 20 0 FEADHO CC[N@H+]1CC[C@H](NC[C@H](c2cccs2)N2CCN(C)CC2)[C@H](C)C1 ZINC000531932273 562461860 /nfs/dbraw/zinc/46/18/60/562461860.db2.gz AZQADVCYCHRERA-FGTMMUONSA-N 1 3 350.576 2.357 20 0 FEADHO CCN1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)[C@H](C)C1 ZINC000531932273 562461861 /nfs/dbraw/zinc/46/18/61/562461861.db2.gz AZQADVCYCHRERA-FGTMMUONSA-N 1 3 350.576 2.357 20 0 FEADHO CCOC(=O)CC(C)(C)CC[N@H+](C)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000367849725 556153939 /nfs/dbraw/zinc/15/39/39/556153939.db2.gz QABQLTVFORKKCE-SFHVURJKSA-N 1 3 353.551 2.456 20 0 FEADHO CCOC(=O)CC(C)(C)CC[N@@H+](C)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000367849725 556153941 /nfs/dbraw/zinc/15/39/41/556153941.db2.gz QABQLTVFORKKCE-SFHVURJKSA-N 1 3 353.551 2.456 20 0 FEADHO CCOC(=O)CC(C)(C)CCN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367849725 556153943 /nfs/dbraw/zinc/15/39/43/556153943.db2.gz QABQLTVFORKKCE-SFHVURJKSA-N 1 3 353.551 2.456 20 0 FEADHO CCOC(=O)CC(C)(C)CCN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367849725 556153946 /nfs/dbraw/zinc/15/39/46/556153946.db2.gz QABQLTVFORKKCE-SFHVURJKSA-N 1 3 353.551 2.456 20 0 FEADHO C[C@@H]1CN(C[C@@H](O)Cc2cccc(Cl)c2)CCN1C1CC[NH+](C)CC1 ZINC000367861368 556157604 /nfs/dbraw/zinc/15/76/04/556157604.db2.gz AIHOSJQWOGKAFX-UZLBHIALSA-N 1 3 365.949 2.344 20 0 FEADHO CN1CCN(CCC[NH2+][C@H]2C[C@@H](C3CC3)N(Cc3ccccc3)C2)CC1 ZINC000367894197 556166983 /nfs/dbraw/zinc/16/69/83/556166983.db2.gz BNQWIKVGYICGEU-VXKWHMMOSA-N 1 3 356.558 2.267 20 0 FEADHO CN(CC(=O)N(C)Cc1ccco1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367903699 556169082 /nfs/dbraw/zinc/16/90/82/556169082.db2.gz MGFSWQNIJFCQHB-UHFFFAOYSA-N 1 3 356.470 2.481 20 0 FEADHO C[C@@H]1CCCN(CCNC(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000368954518 556458354 /nfs/dbraw/zinc/45/83/54/556458354.db2.gz JIAMSYDALXUICY-QGZVFWFLSA-N 1 3 359.518 2.424 20 0 FEADHO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)cc1 ZINC000515832489 562023217 /nfs/dbraw/zinc/02/32/17/562023217.db2.gz XXGLQIWXXXLICC-IEBWSBKVSA-N 1 3 363.502 2.095 20 0 FEADHO C[NH+]1CCC(N2CC[C@@H](Nc3nc4ccccc4n4cncc34)C2)CC1 ZINC000623966235 556517638 /nfs/dbraw/zinc/51/76/38/556517638.db2.gz JGATXJQOYZAHAQ-OAHLLOKOSA-N 1 3 350.470 2.463 20 0 FEADHO c1ccc(Cc2nnc3n2C[C@H](N[C@H]2CC[N@@H+]4CCC[C@H]4C2)CC3)cc1 ZINC000369239681 556545507 /nfs/dbraw/zinc/54/55/07/556545507.db2.gz UTECLIQDAYJQOV-OTWHNJEPSA-N 1 3 351.498 2.400 20 0 FEADHO c1ccc(Cc2nnc3n2C[C@H](N[C@H]2CC[N@H+]4CCC[C@H]4C2)CC3)cc1 ZINC000369239681 556545508 /nfs/dbraw/zinc/54/55/08/556545508.db2.gz UTECLIQDAYJQOV-OTWHNJEPSA-N 1 3 351.498 2.400 20 0 FEADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000370135751 556790145 /nfs/dbraw/zinc/79/01/45/556790145.db2.gz JLGRJZHZOMSJOZ-SLFFLAALSA-N 1 3 373.545 2.466 20 0 FEADHO C(CN1CCCO[C@H]2CCC[C@H]21)OCC[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000370167068 556799590 /nfs/dbraw/zinc/79/95/90/556799590.db2.gz ISLUPJBWFMZVJK-JVSBHGNQSA-N 1 3 352.519 2.290 20 0 FEADHO C(CN1CCCO[C@H]2CCC[C@H]21)OCC[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000370167068 556799591 /nfs/dbraw/zinc/79/95/91/556799591.db2.gz ISLUPJBWFMZVJK-JVSBHGNQSA-N 1 3 352.519 2.290 20 0 FEADHO C(CN1CCCO[C@@H]2CCC[C@@H]21)OCC[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000370167068 556799592 /nfs/dbraw/zinc/79/95/92/556799592.db2.gz ISLUPJBWFMZVJK-JVSBHGNQSA-N 1 3 352.519 2.290 20 0 FEADHO C(CN1CCCO[C@@H]2CCC[C@@H]21)OCC[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000370167068 556799593 /nfs/dbraw/zinc/79/95/93/556799593.db2.gz ISLUPJBWFMZVJK-JVSBHGNQSA-N 1 3 352.519 2.290 20 0 FEADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)C2CCN(c3ccncc3)CC2)C1 ZINC000370405764 556862801 /nfs/dbraw/zinc/86/28/01/556862801.db2.gz XGFZEACWOJQFNE-APWZRJJASA-N 1 3 359.518 2.421 20 0 FEADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)C2CCN(c3ccncc3)CC2)C1 ZINC000370405764 556862802 /nfs/dbraw/zinc/86/28/02/556862802.db2.gz XGFZEACWOJQFNE-APWZRJJASA-N 1 3 359.518 2.421 20 0 FEADHO C(NC1CC[NH+](C2CCCCC2)CC1)[C@@]1(N2CCOCC2)CCCOC1 ZINC000370662834 556934341 /nfs/dbraw/zinc/93/43/41/556934341.db2.gz OWPSMFCZUOLAAM-NRFANRHFSA-N 1 3 365.562 2.255 20 0 FEADHO C([NH2+]C1CCN(C2CCCCC2)CC1)[C@@]1(N2CCOCC2)CCCOC1 ZINC000370662834 556934343 /nfs/dbraw/zinc/93/43/43/556934343.db2.gz OWPSMFCZUOLAAM-NRFANRHFSA-N 1 3 365.562 2.255 20 0 FEADHO CCCNC(=O)[C@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371150720 557090355 /nfs/dbraw/zinc/09/03/55/557090355.db2.gz HNZITQDDVFJZNN-KRWDZBQOSA-N 1 3 352.567 2.029 20 0 FEADHO CC(C)N1CC[C@@H](N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1=O ZINC000371155932 557091744 /nfs/dbraw/zinc/09/17/44/557091744.db2.gz IZYIFFRSSCVIIW-HXUWFJFHSA-N 1 3 364.578 2.124 20 0 FEADHO CC[C@H](C)NC(=O)[C@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371157557 557091891 /nfs/dbraw/zinc/09/18/91/557091891.db2.gz NXQUMSLMTBMMDZ-ROUUACIJSA-N 1 3 366.594 2.418 20 0 FEADHO Cc1ccc(F)cc1NC(=O)[C@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000517258104 562082946 /nfs/dbraw/zinc/08/29/46/562082946.db2.gz RWGNFLSBVOXAFI-INIZCTEOSA-N 1 3 352.498 2.276 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000517384790 562088178 /nfs/dbraw/zinc/08/81/78/562088178.db2.gz LACSKZVGLSYFQV-SFHVURJKSA-N 1 3 366.550 2.049 20 0 FEADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c(C)nc2sc(C)nn12 ZINC000517438407 562090284 /nfs/dbraw/zinc/09/02/84/562090284.db2.gz BYDNNNOQOKWRPG-INIZCTEOSA-N 1 3 364.563 2.256 20 0 FEADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c(C)nc2sc(C)nn12 ZINC000517438407 562090285 /nfs/dbraw/zinc/09/02/85/562090285.db2.gz BYDNNNOQOKWRPG-INIZCTEOSA-N 1 3 364.563 2.256 20 0 FEADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000371688026 557263866 /nfs/dbraw/zinc/26/38/66/557263866.db2.gz CGYLCUFFGIKMKU-FQEVSTJZSA-N 1 3 370.472 2.466 20 0 FEADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000371792968 557295041 /nfs/dbraw/zinc/29/50/41/557295041.db2.gz QSZJRDPGXQOKGN-RTBURBONSA-N 1 3 351.535 2.257 20 0 FEADHO C[C@@H](C(=O)NCC1CCCCC1)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372364345 557450773 /nfs/dbraw/zinc/45/07/73/557450773.db2.gz FCXGBKIWEKWWNJ-PXNSSMCTSA-N 1 3 364.578 2.172 20 0 FEADHO CN1CCC2(CC1)C[C@@H]([NH2+]CCCN1CCOC1=O)c1ccccc1O2 ZINC000372585391 557512619 /nfs/dbraw/zinc/51/26/19/557512619.db2.gz QRVVHRGCSIPRLX-QGZVFWFLSA-N 1 3 359.470 2.407 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)c1ccccc1 ZINC000519650345 562138687 /nfs/dbraw/zinc/13/86/87/562138687.db2.gz XLSWRONUEUCGGX-XUVXKRRUSA-N 1 3 359.514 2.297 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1)c1ccccc1 ZINC000519650345 562138688 /nfs/dbraw/zinc/13/86/88/562138688.db2.gz XLSWRONUEUCGGX-XUVXKRRUSA-N 1 3 359.514 2.297 20 0 FEADHO Cc1cc(N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc2n1 ZINC000372993906 557605432 /nfs/dbraw/zinc/60/54/32/557605432.db2.gz XXULKVIOZUFEHO-MRXNPFEDSA-N 1 3 359.495 2.289 20 0 FEADHO CC(C)c1ccccc1OC[C@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000519766231 562143258 /nfs/dbraw/zinc/14/32/58/562143258.db2.gz XXZPRXZYAULFSD-GOSISDBHSA-N 1 3 363.546 2.165 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000374470449 557888096 /nfs/dbraw/zinc/88/80/96/557888096.db2.gz JDFGLGVVJAFDME-IEBWSBKVSA-N 1 3 357.502 2.224 20 0 FEADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000374470449 557888097 /nfs/dbraw/zinc/88/80/97/557888097.db2.gz JDFGLGVVJAFDME-IEBWSBKVSA-N 1 3 357.502 2.224 20 0 FEADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000375225825 557994838 /nfs/dbraw/zinc/99/48/38/557994838.db2.gz FJCGGFHGYOJOQS-IBGZPJMESA-N 1 3 356.514 2.388 20 0 FEADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000375225825 557994839 /nfs/dbraw/zinc/99/48/39/557994839.db2.gz FJCGGFHGYOJOQS-IBGZPJMESA-N 1 3 356.514 2.388 20 0 FEADHO CCN1CCN(c2ccc(C(=O)N3CCCC4(CC[NH2+]CC4)C3)cc2)CC1 ZINC000375256211 557999523 /nfs/dbraw/zinc/99/95/23/557999523.db2.gz NUSUTJZFGPYSHR-UHFFFAOYSA-N 1 3 370.541 2.434 20 0 FEADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375830927 558086216 /nfs/dbraw/zinc/08/62/16/558086216.db2.gz QGPSPNBVIIOBTD-NLWGTHIKSA-N 1 3 364.578 2.266 20 0 FEADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376054493 558120389 /nfs/dbraw/zinc/12/03/89/558120389.db2.gz HMQGPLBVCWOJNP-LQJIQPLVSA-N 1 3 371.529 2.199 20 0 FEADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376054493 558120390 /nfs/dbraw/zinc/12/03/90/558120390.db2.gz HMQGPLBVCWOJNP-LQJIQPLVSA-N 1 3 371.529 2.199 20 0 FEADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000521665494 562181697 /nfs/dbraw/zinc/18/16/97/562181697.db2.gz DWMDVNSXAGSWER-ZCNNSNEGSA-N 1 3 358.530 2.462 20 0 FEADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000521826112 562184300 /nfs/dbraw/zinc/18/43/00/562184300.db2.gz JKYVOZYFTXBDJK-HXUWFJFHSA-N 1 3 358.530 2.383 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000377202190 558287232 /nfs/dbraw/zinc/28/72/32/558287232.db2.gz SRMYAOWQCVBLKO-VWNVYAMZSA-N 1 3 367.493 2.488 20 0 FEADHO CC(C)CNC(=O)[C@@H](C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377269854 558302677 /nfs/dbraw/zinc/30/26/77/558302677.db2.gz ZXLXFTSIHCVRGK-GOSISDBHSA-N 1 3 366.594 2.275 20 0 FEADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000522077542 562190994 /nfs/dbraw/zinc/19/09/94/562190994.db2.gz MFDULDFVVSEQNK-OALUTQOASA-N 1 3 368.566 2.153 20 0 FEADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000377513144 558354754 /nfs/dbraw/zinc/35/47/54/558354754.db2.gz RYAJINRPEFGMMB-VQTJNVASSA-N 1 3 357.498 2.266 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000522289150 562196358 /nfs/dbraw/zinc/19/63/58/562196358.db2.gz RNMNEFXKHOTOBC-IBGZPJMESA-N 1 3 356.514 2.495 20 0 FEADHO Cc1ccc(-c2n[nH]cc2CN2CCC(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000377633060 558381590 /nfs/dbraw/zinc/38/15/90/558381590.db2.gz UNPUASVJFQJOGI-UHFFFAOYSA-N 1 3 357.502 2.438 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(CCOC)CC[NH2+]C1)c1ccsc1 ZINC000378208538 558503034 /nfs/dbraw/zinc/50/30/34/558503034.db2.gz HLGHCTPSSPPUHO-FUHWJXTLSA-N 1 3 353.532 2.263 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000523650734 562216793 /nfs/dbraw/zinc/21/67/93/562216793.db2.gz OECPCAFNOUYQOB-QRVBRYPASA-N 1 3 353.551 2.456 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000523650734 562216794 /nfs/dbraw/zinc/21/67/94/562216794.db2.gz OECPCAFNOUYQOB-QRVBRYPASA-N 1 3 353.551 2.456 20 0 FEADHO [NH3+]CC[C@H]1CCCN(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000387399976 558607688 /nfs/dbraw/zinc/60/76/88/558607688.db2.gz JOFHNXHRJXQXJV-GFCCVEGCSA-N 1 3 365.275 2.018 20 0 FEADHO c1ccc(CN2CCN(CCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000390912400 558613063 /nfs/dbraw/zinc/61/30/63/558613063.db2.gz QAHZEIROUQXBOJ-YPAWHYETSA-N 1 3 356.558 2.315 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000410396858 558754867 /nfs/dbraw/zinc/75/48/67/558754867.db2.gz WYZXCRABICKQGI-MOPGFXCFSA-N 1 3 360.502 2.053 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000410396858 558754871 /nfs/dbraw/zinc/75/48/71/558754871.db2.gz WYZXCRABICKQGI-MOPGFXCFSA-N 1 3 360.502 2.053 20 0 FEADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H](C)S1 ZINC000525254848 562244212 /nfs/dbraw/zinc/24/42/12/562244212.db2.gz XUJCBXSFEYMKHF-HUUCEWRRSA-N 1 3 354.564 2.080 20 0 FEADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)C1 ZINC000411270863 558865188 /nfs/dbraw/zinc/86/51/88/558865188.db2.gz YGDWRNKHLFMBBZ-KRWDZBQOSA-N 1 3 374.529 2.185 20 0 FEADHO CCN1CCC(NC(=O)CN[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000411556073 558916698 /nfs/dbraw/zinc/91/66/98/558916698.db2.gz XHRLGFUOZATEQN-IEBWSBKVSA-N 1 3 352.567 2.077 20 0 FEADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000411695937 558946257 /nfs/dbraw/zinc/94/62/57/558946257.db2.gz PQPRXNIEXVVPPW-FPOVZHCZSA-N 1 3 358.530 2.010 20 0 FEADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1csc(-c2ccccn2)n1 ZINC000525890806 562258781 /nfs/dbraw/zinc/25/87/81/562258781.db2.gz WUKYCLJIFWCDBQ-UHFFFAOYSA-N 1 3 362.503 2.162 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)[C@](C)(OC)C1CC1 ZINC000413692041 559125236 /nfs/dbraw/zinc/12/52/36/559125236.db2.gz OOMHKHAVBGYEFO-POAQFYNOSA-N 1 3 368.566 2.248 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)[C@](C)(OC)C1CC1 ZINC000413692041 559125237 /nfs/dbraw/zinc/12/52/37/559125237.db2.gz OOMHKHAVBGYEFO-POAQFYNOSA-N 1 3 368.566 2.248 20 0 FEADHO O=C(N[C@@H](CO)CN1CCCCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413796092 559130886 /nfs/dbraw/zinc/13/08/86/559130886.db2.gz GBCGLSCGFJKBRC-HXUWFJFHSA-N 1 3 359.514 2.249 20 0 FEADHO CN1CCC(C[NH2+]C2CC(C)(c3ccccc3)C2)(N2CCOCC2)CC1 ZINC000414476894 559167579 /nfs/dbraw/zinc/16/75/79/559167579.db2.gz AFDWMQKJWLFTIF-UHFFFAOYSA-N 1 3 357.542 2.493 20 0 FEADHO COc1ccc(CNCC2(N3CCOCC3)CC[NH+](C)CC2)c(Cl)c1 ZINC000414479275 559167853 /nfs/dbraw/zinc/16/78/53/559167853.db2.gz HAKMGMLNPFCAML-UHFFFAOYSA-N 1 3 367.921 2.235 20 0 FEADHO CN(C)c1ccncc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414530079 559170289 /nfs/dbraw/zinc/17/02/89/559170289.db2.gz WUBNWADUARKJBP-UHFFFAOYSA-N 1 3 354.498 2.264 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000414693553 559180396 /nfs/dbraw/zinc/18/03/96/559180396.db2.gz CEENJPFUSCHBOF-HZPDHXFCSA-N 1 3 360.502 2.114 20 0 FEADHO C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)CCN1Cc1ccccc1 ZINC000414696456 559180669 /nfs/dbraw/zinc/18/06/69/559180669.db2.gz PJJBJUAWBLSROE-GIVPXCGWSA-N 1 3 372.557 2.169 20 0 FEADHO C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)CCN1Cc1ccccc1 ZINC000414696456 559180670 /nfs/dbraw/zinc/18/06/70/559180670.db2.gz PJJBJUAWBLSROE-GIVPXCGWSA-N 1 3 372.557 2.169 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH2+]C2(c3ccc(Br)cc3)CC2)C1 ZINC000414704019 559181088 /nfs/dbraw/zinc/18/10/88/559181088.db2.gz JCWBBAAQNNXPSV-ZDUSSCGKSA-N 1 3 366.303 2.225 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@@H]3C[NH2+]C)c(C)c2)CC1 ZINC000414732151 559182928 /nfs/dbraw/zinc/18/29/28/559182928.db2.gz GERSYMRSRCXCMG-GOSISDBHSA-N 1 3 359.518 2.353 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@H]3C[NH2+]C)c(C)c2)CC1 ZINC000414732152 559183022 /nfs/dbraw/zinc/18/30/22/559183022.db2.gz GERSYMRSRCXCMG-SFHVURJKSA-N 1 3 359.518 2.353 20 0 FEADHO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414737235 559183338 /nfs/dbraw/zinc/18/33/38/559183338.db2.gz AHPFHXOZUUOYFI-YOEHRIQHSA-N 1 3 353.894 2.157 20 0 FEADHO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414737235 559183339 /nfs/dbraw/zinc/18/33/39/559183339.db2.gz AHPFHXOZUUOYFI-YOEHRIQHSA-N 1 3 353.894 2.157 20 0 FEADHO COc1ccccc1CC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414750843 559184758 /nfs/dbraw/zinc/18/47/58/559184758.db2.gz RXHUKJVZGSZNDK-SFHVURJKSA-N 1 3 359.514 2.147 20 0 FEADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCCCN1CC[NH2+]CC1 ZINC000414787109 559187322 /nfs/dbraw/zinc/18/73/22/559187322.db2.gz YTPWNSMGASDFMT-UHFFFAOYSA-N 1 3 355.530 2.242 20 0 FEADHO O=C(NCCCCC[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)CNC2 ZINC000414827839 559189961 /nfs/dbraw/zinc/18/99/61/559189961.db2.gz YNQVRUKPZIQWJQ-UHFFFAOYSA-N 1 3 358.486 2.001 20 0 FEADHO FC(F)Oc1cccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414968770 559197505 /nfs/dbraw/zinc/19/75/05/559197505.db2.gz GJSLYHGMHQGWFC-CYBMUJFWSA-N 1 3 353.335 2.214 20 0 FEADHO FC(F)(F)[C@H](CNCc1ccc(Br)s1)N1CC[NH2+]CC1 ZINC000414968084 559197579 /nfs/dbraw/zinc/19/75/79/559197579.db2.gz FMKDBUVQTSCDSG-JTQLQIEISA-N 1 3 372.254 2.436 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000415031139 559201506 /nfs/dbraw/zinc/20/15/06/559201506.db2.gz GNHHRHOOCRVVNZ-DOTOQJQBSA-N 1 3 372.513 2.114 20 0 FEADHO CNCc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000415031139 559201507 /nfs/dbraw/zinc/20/15/07/559201507.db2.gz GNHHRHOOCRVVNZ-DOTOQJQBSA-N 1 3 372.513 2.114 20 0 FEADHO C[C@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)[C@@H](C)CN1 ZINC000415064852 559203312 /nfs/dbraw/zinc/20/33/12/559203312.db2.gz DXJYXYBYPPKPPL-HOTGVXAUSA-N 1 3 362.543 2.492 20 0 FEADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415073485 559203941 /nfs/dbraw/zinc/20/39/41/559203941.db2.gz YOGWUKKRRNAGHX-ZWKOTPCHSA-N 1 3 374.554 2.351 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)C1 ZINC000415083654 559204662 /nfs/dbraw/zinc/20/46/62/559204662.db2.gz OANJUOUFZRKRME-JKSUJKDBSA-N 1 3 364.921 2.096 20 0 FEADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000415113041 559205973 /nfs/dbraw/zinc/20/59/73/559205973.db2.gz WEMAAPBYWDFWAI-TUFLPTIASA-N 1 3 371.504 2.415 20 0 FEADHO CNC(=O)c1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cc1 ZINC000415124878 559206640 /nfs/dbraw/zinc/20/66/40/559206640.db2.gz CVRWENNQCMCNCP-UHFFFAOYSA-N 1 3 366.509 2.129 20 0 FEADHO C[NH2+]Cc1ccccc1NC(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1 ZINC000415907354 559282007 /nfs/dbraw/zinc/28/20/07/559282007.db2.gz BJAFGHZXUUHQRR-KRWDZBQOSA-N 1 3 372.469 2.351 20 0 FEADHO CC[NH2+]Cc1ccccc1NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000415937987 559283277 /nfs/dbraw/zinc/28/32/77/559283277.db2.gz ZWPXCBDHJVVHSP-UHFFFAOYSA-N 1 3 371.485 2.453 20 0 FEADHO [NH3+]CC[C@H](NC(=O)N1CCN(CC2CCCCC2)CC1)C(F)(F)F ZINC000415997779 559288211 /nfs/dbraw/zinc/28/82/11/559288211.db2.gz SGNGJSQOZYRNBV-AWEZNQCLSA-N 1 3 350.429 2.174 20 0 FEADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415998773 559288346 /nfs/dbraw/zinc/28/83/46/559288346.db2.gz UXMFMDBUWJNUTG-AWEZNQCLSA-N 1 3 364.387 2.179 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+])c1ccccc1 ZINC000416848870 559335097 /nfs/dbraw/zinc/33/50/97/559335097.db2.gz XGGSTSVZPKHHQH-GBESFXJTSA-N 1 3 362.518 2.217 20 0 FEADHO CN(C)[C@@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)Cc1ccccc1 ZINC000416858807 559335559 /nfs/dbraw/zinc/33/55/59/559335559.db2.gz ZGGRXUZQCNZNCF-HXUWFJFHSA-N 1 3 354.498 2.330 20 0 FEADHO O=C(NCc1ccccc1CN1CCCCC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000416901829 559337196 /nfs/dbraw/zinc/33/71/96/559337196.db2.gz KNOIWWAEBQGPKU-VQTJNVASSA-N 1 3 356.514 2.423 20 0 FEADHO CCN(CC)[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1cccc(OC)c1 ZINC000416903536 559337358 /nfs/dbraw/zinc/33/73/58/559337358.db2.gz CHKOYYKYJADPLO-JTDSTZFVSA-N 1 3 362.518 2.457 20 0 FEADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)c1cccc(OC)c1 ZINC000416905915 559337559 /nfs/dbraw/zinc/33/75/59/559337559.db2.gz GTFHYRRZHDBLLK-QZTJIDSGSA-N 1 3 350.507 2.361 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)c1cccc(OC)c1 ZINC000416930547 559338976 /nfs/dbraw/zinc/33/89/76/559338976.db2.gz YOTKJHYSDSLWBF-HKUYNNGSSA-N 1 3 362.518 2.472 20 0 FEADHO CN(C)CCOc1ccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000416967802 559340735 /nfs/dbraw/zinc/34/07/35/559340735.db2.gz HQSBQKVCLXBKKM-HXUWFJFHSA-N 1 3 374.529 2.301 20 0 FEADHO C[NH+](C)CCOc1ccc(CNC(=O)NC[C@@H](N)c2ccccc2)cc1 ZINC000416966586 559340773 /nfs/dbraw/zinc/34/07/73/559340773.db2.gz FPRQNWVEFSXAMN-LJQANCHMSA-N 1 3 356.470 2.126 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000416971713 559341117 /nfs/dbraw/zinc/34/11/17/559341117.db2.gz DQFCTERQIBRRRL-UHFFFAOYSA-N 1 3 368.481 2.230 20 0 FEADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417029384 559344707 /nfs/dbraw/zinc/34/47/07/559344707.db2.gz PBUXXEZFBVNHHR-HSALFYBXSA-N 1 3 356.514 2.465 20 0 FEADHO CN(C)Cc1cccc(CNC(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000417072027 559346667 /nfs/dbraw/zinc/34/66/67/559346667.db2.gz QVWBQMVEHJFIMY-UHFFFAOYSA-N 1 3 354.498 2.461 20 0 FEADHO CC(C)(CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCc2ccccc2C1 ZINC000417090332 559347374 /nfs/dbraw/zinc/34/73/74/559347374.db2.gz VVSGSLGDCQEDFK-KDURUIRLSA-N 1 3 370.541 2.464 20 0 FEADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417090427 559347387 /nfs/dbraw/zinc/34/73/87/559347387.db2.gz WGNYNKIWCWFRHL-ZCNNSNEGSA-N 1 3 356.514 2.292 20 0 FEADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000417181086 559351855 /nfs/dbraw/zinc/35/18/55/559351855.db2.gz HLJSPSQTJQCOTQ-FQEVSTJZSA-N 1 3 352.482 2.262 20 0 FEADHO C[N@H+](Cc1ccccc1CNC(=O)NC[C@H]1CNCCO1)C1CCCCC1 ZINC000417212253 559353197 /nfs/dbraw/zinc/35/31/97/559353197.db2.gz FBCOALZKIVDIBH-HXUWFJFHSA-N 1 3 374.529 2.239 20 0 FEADHO C[N@@H+](Cc1ccccc1CNC(=O)NC[C@H]1CNCCO1)C1CCCCC1 ZINC000417212253 559353198 /nfs/dbraw/zinc/35/31/98/559353198.db2.gz FBCOALZKIVDIBH-HXUWFJFHSA-N 1 3 374.529 2.239 20 0 FEADHO COc1ccc(CN2CCC(CNC(=O)NC[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000417332828 559358154 /nfs/dbraw/zinc/35/81/54/559358154.db2.gz OXRTYHRUHBSPKZ-LJQANCHMSA-N 1 3 362.518 2.190 20 0 FEADHO C[NH2+][C@H]1CCCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000417356526 559359039 /nfs/dbraw/zinc/35/90/39/559359039.db2.gz CILOXWIJOMTUEK-HOTGVXAUSA-N 1 3 350.532 2.354 20 0 FEADHO O=C(NCC[C@H]1CCC[NH2+]1)NCC1CCN(Cc2cccs2)CC1 ZINC000417384950 559360295 /nfs/dbraw/zinc/36/02/95/559360295.db2.gz QQFMGLNLTNZUSP-MRXNPFEDSA-N 1 3 350.532 2.401 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000417512076 559365281 /nfs/dbraw/zinc/36/52/81/559365281.db2.gz HAUASIOQWNPIFR-YRPNKDGESA-N 1 3 374.529 2.075 20 0 FEADHO COCCN(C)CC[C@@H](NC(=O)N1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000417515732 559365530 /nfs/dbraw/zinc/36/55/30/559365530.db2.gz LWAUMEVTFCREKP-RTBURBONSA-N 1 3 362.518 2.219 20 0 FEADHO COCCN(C)CC[C@H](NC(=O)N[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000417520362 559365831 /nfs/dbraw/zinc/36/58/31/559365831.db2.gz XEJGAJWXTSRTBC-NEWSRXKRSA-N 1 3 362.518 2.136 20 0 FEADHO COC1CCN(C(C)(C)CNC(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000417535446 559366217 /nfs/dbraw/zinc/36/62/17/559366217.db2.gz CANPGDXYYJOJAZ-UHFFFAOYSA-N 1 3 362.518 2.046 20 0 FEADHO [NH3+]C1(CNC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CCCCC1 ZINC000417555572 559366729 /nfs/dbraw/zinc/36/67/29/559366729.db2.gz YLGRZIHENQIZSM-UHFFFAOYSA-N 1 3 374.529 2.104 20 0 FEADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000417586684 559368065 /nfs/dbraw/zinc/36/80/65/559368065.db2.gz CJTIQXMBAKFKCQ-IEBWSBKVSA-N 1 3 374.529 2.430 20 0 FEADHO C[C@@H]1CN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C[C@@H]1[NH3+] ZINC000417682371 559372219 /nfs/dbraw/zinc/37/22/19/559372219.db2.gz KZTRLJGAQXZOOX-AYOQOUSVSA-N 1 3 358.530 2.448 20 0 FEADHO CN1CCC[C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@H]1c1cccs1 ZINC000417734288 559374511 /nfs/dbraw/zinc/37/45/11/559374511.db2.gz JSBWIRBKWFGYKI-HPFXQQBRSA-N 1 3 362.543 2.382 20 0 FEADHO CN1CCC[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)[C@@H]1c1cccs1 ZINC000417734771 559374524 /nfs/dbraw/zinc/37/45/24/559374524.db2.gz KIKUBIRMGOCYNW-MBNYWOFBSA-N 1 3 360.474 2.413 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417830118 559378186 /nfs/dbraw/zinc/37/81/86/559378186.db2.gz RNDJFXFCYRYFHD-RSPOEFSDSA-N 1 3 356.514 2.290 20 0 FEADHO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N1CCCNCC1 ZINC000417830035 559378196 /nfs/dbraw/zinc/37/81/96/559378196.db2.gz RKBGLFRPRZHESR-UHFFFAOYSA-N 1 3 374.529 2.063 20 0 FEADHO C[C@H]1C[C@H](NC(=O)N2CCC(OCCC[NH3+])CC2)CN1Cc1ccccc1 ZINC000417871993 559380250 /nfs/dbraw/zinc/38/02/50/559380250.db2.gz KILJTURJDQNSLB-HKUYNNGSSA-N 1 3 374.529 2.189 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)N2CCC3(C2)CC[NH2+]CC3)CN1Cc1ccccc1 ZINC000417887323 559380649 /nfs/dbraw/zinc/38/06/49/559380649.db2.gz ZVXAJSMRDCWOTO-PKOBYXMFSA-N 1 3 356.514 2.435 20 0 FEADHO [NH3+]CC[C@@H](NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C(F)F ZINC000418103308 559390127 /nfs/dbraw/zinc/39/01/27/559390127.db2.gz ISSIWGJECLCSNN-HTAVTVPLSA-N 1 3 372.382 2.073 20 0 FEADHO O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418111034 559390414 /nfs/dbraw/zinc/39/04/14/559390414.db2.gz XCPOHMGDGRZXAI-CTNGQTDRSA-N 1 3 356.514 2.294 20 0 FEADHO C[C@@H]1CN(CCCNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000418116143 559390751 /nfs/dbraw/zinc/39/07/51/559390751.db2.gz PXSJEQQPQXAVFK-GUDVDZBRSA-N 1 3 366.550 2.051 20 0 FEADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000418168442 559392723 /nfs/dbraw/zinc/39/27/23/559392723.db2.gz LYAGLPQVLHZBOP-WBVHZDCISA-N 1 3 360.502 2.038 20 0 FEADHO C[C@H]1[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1Cc1ccccc1 ZINC000418188583 559393419 /nfs/dbraw/zinc/39/34/19/559393419.db2.gz GJYHRSLKSWRMJP-IJXRJRJASA-N 1 3 356.514 2.290 20 0 FEADHO C[C@H]([NH3+])c1ccc(CNC(=O)NCc2ccncc2OCCN(C)C)cc1 ZINC000418198996 559393775 /nfs/dbraw/zinc/39/37/75/559393775.db2.gz WLZKKEFOSCXNOO-HNNXBMFYSA-N 1 3 371.485 2.041 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)NCC[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418215750 559394149 /nfs/dbraw/zinc/39/41/49/559394149.db2.gz YYONNNCOXUOIAT-APWZRJJASA-N 1 3 362.518 2.375 20 0 FEADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)N(C)C)cc1 ZINC000418216161 559394172 /nfs/dbraw/zinc/39/41/72/559394172.db2.gz ZFDYSJHKVPWJKB-CVEARBPZSA-N 1 3 372.460 2.358 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NCC[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418227545 559394580 /nfs/dbraw/zinc/39/45/80/559394580.db2.gz CSPTUNCEYGZZSW-WMLDXEAASA-N 1 3 350.532 2.310 20 0 FEADHO CSc1ccc([C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)N(C)C)cc1 ZINC000418226771 559394620 /nfs/dbraw/zinc/39/46/20/559394620.db2.gz BHEMOEFZPBURJG-KGLIPLIRSA-N 1 3 360.474 2.293 20 0 FEADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000418330456 559397713 /nfs/dbraw/zinc/39/77/13/559397713.db2.gz BYJUITKNXZHBJL-HUUCEWRRSA-N 1 3 368.472 2.426 20 0 FEADHO O=C(NCC[C@@H]1CC[NH2+]C1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000418330361 559397779 /nfs/dbraw/zinc/39/77/79/559397779.db2.gz CJLZIBUKBOPXJR-DFQSSKMNSA-N 1 3 356.514 2.150 20 0 FEADHO O=C(NCC[C@@H]1CC[NH2+]C1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418339634 559398253 /nfs/dbraw/zinc/39/82/53/559398253.db2.gz MOJCFJHDOWDTEU-GHTZIAJQSA-N 1 3 356.514 2.294 20 0 FEADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418344292 559398338 /nfs/dbraw/zinc/39/83/38/559398338.db2.gz KKEBTZOUQMAKCB-QUCCMNQESA-N 1 3 373.545 2.467 20 0 FEADHO O=C(NC[C@@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418359403 559398990 /nfs/dbraw/zinc/39/89/90/559398990.db2.gz FDSGCGYCQLIXIQ-PZJWPPBQSA-N 1 3 356.514 2.436 20 0 FEADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418438997 559401593 /nfs/dbraw/zinc/40/15/93/559401593.db2.gz FSZSDTNDVUCWPK-SFHVURJKSA-N 1 3 354.539 2.051 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418517699 559404647 /nfs/dbraw/zinc/40/46/47/559404647.db2.gz LINGURSXBDEPRN-UHFFFAOYSA-N 1 3 368.472 2.428 20 0 FEADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418553561 559405944 /nfs/dbraw/zinc/40/59/44/559405944.db2.gz COMAIPRTIYCNAU-YFVAEKQCSA-N 1 3 356.514 2.292 20 0 FEADHO CN(C)[C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000418560080 559406152 /nfs/dbraw/zinc/40/61/52/559406152.db2.gz DAINHXVYHITXKW-RVKKMQEKSA-N 1 3 366.456 2.146 20 0 FEADHO C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@H]3NCCc4ccccc43)C2)CC1 ZINC000418648406 559409382 /nfs/dbraw/zinc/40/93/82/559409382.db2.gz ZICANHXTKOMKFL-AZUAARDMSA-N 1 3 356.514 2.247 20 0 FEADHO CCN(C(=O)NC[C@@]1(COC)CCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418652924 559409782 /nfs/dbraw/zinc/40/97/82/559409782.db2.gz JSPWECDVMXKWIF-TZIWHRDSSA-N 1 3 374.529 2.061 20 0 FEADHO CN(CCCN(C)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)Cc1ccco1 ZINC000418690414 559411382 /nfs/dbraw/zinc/41/13/82/559411382.db2.gz WUORVUSGAITBTF-VQTJNVASSA-N 1 3 370.497 2.499 20 0 FEADHO CN(C)CC[C@@](C)(O)CNC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000419994040 559468181 /nfs/dbraw/zinc/46/81/81/559468181.db2.gz JADZODGSCJENQN-CEMLEFRQSA-N 1 3 373.541 2.108 20 0 FEADHO CN(C)CC[C@@](C)(O)CNC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000419994040 559468182 /nfs/dbraw/zinc/46/81/82/559468182.db2.gz JADZODGSCJENQN-CEMLEFRQSA-N 1 3 373.541 2.108 20 0 FEADHO CN(C)[C@@H](CNC(=O)CN1CC[NH2+]Cc2ccccc21)c1ccccc1 ZINC000420289843 559478944 /nfs/dbraw/zinc/47/89/44/559478944.db2.gz IKKTVZSPXPZUCI-FQEVSTJZSA-N 1 3 352.482 2.015 20 0 FEADHO Cc1cccc(C)c1NC(=O)CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420293800 559478994 /nfs/dbraw/zinc/47/89/94/559478994.db2.gz ALCXDLYIFXSXQY-IBGZPJMESA-N 1 3 358.530 2.249 20 0 FEADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000420313081 559479877 /nfs/dbraw/zinc/47/98/77/559479877.db2.gz ILZRHCKQJNAOGW-BWPNAZKDSA-N 1 3 361.530 2.311 20 0 FEADHO COc1ccc([C@@H](C[NH3+])CN2CCNC[C@H]2c2ccccc2OC)cc1 ZINC000420318454 559480166 /nfs/dbraw/zinc/48/01/66/559480166.db2.gz WEPKMIYZOQXCEM-PXNSSMCTSA-N 1 3 355.482 2.393 20 0 FEADHO CCOc1ccccc1NC(=O)CCN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420321531 559480356 /nfs/dbraw/zinc/48/03/56/559480356.db2.gz CPLAVDHGULCRTP-INIZCTEOSA-N 1 3 361.486 2.101 20 0 FEADHO CCOc1ccccc1NC(=O)CC[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000420321531 559480357 /nfs/dbraw/zinc/48/03/57/559480357.db2.gz CPLAVDHGULCRTP-INIZCTEOSA-N 1 3 361.486 2.101 20 0 FEADHO CCOc1ccccc1NC(=O)CC[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000420321531 559480358 /nfs/dbraw/zinc/48/03/58/559480358.db2.gz CPLAVDHGULCRTP-INIZCTEOSA-N 1 3 361.486 2.101 20 0 FEADHO CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420367874 559483501 /nfs/dbraw/zinc/48/35/01/559483501.db2.gz AFXMKGLNXVYKGF-HNNXBMFYSA-N 1 3 374.514 2.124 20 0 FEADHO CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420367874 559483502 /nfs/dbraw/zinc/48/35/02/559483502.db2.gz AFXMKGLNXVYKGF-HNNXBMFYSA-N 1 3 374.514 2.124 20 0 FEADHO [NH3+]CC1(O)CCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000420407952 559486097 /nfs/dbraw/zinc/48/60/97/559486097.db2.gz VCGIEBWIZRFYQX-IBGZPJMESA-N 1 3 373.522 2.129 20 0 FEADHO CN(C)CCOc1cccc(CNC(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000420780280 559504015 /nfs/dbraw/zinc/50/40/15/559504015.db2.gz NDGKPCVIQRAGEN-UHFFFAOYSA-N 1 3 362.518 2.299 20 0 FEADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)C(=O)NC(C)(C)CC)CC2)CC1 ZINC000420985745 559517350 /nfs/dbraw/zinc/51/73/50/559517350.db2.gz WRTFFTLTPLYUDI-KRWDZBQOSA-N 1 3 352.567 2.172 20 0 FEADHO CCN1CCC([N@H+]2CCCN([C@@H](C)C(=O)NC(C)(C)CC)CC2)CC1 ZINC000420985745 559517351 /nfs/dbraw/zinc/51/73/51/559517351.db2.gz WRTFFTLTPLYUDI-KRWDZBQOSA-N 1 3 352.567 2.172 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000421006163 559518909 /nfs/dbraw/zinc/51/89/09/559518909.db2.gz PTBNHJJYHDUBKR-OAQYLSRUSA-N 1 3 372.557 2.055 20 0 FEADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000421006163 559518910 /nfs/dbraw/zinc/51/89/10/559518910.db2.gz PTBNHJJYHDUBKR-OAQYLSRUSA-N 1 3 372.557 2.055 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N(C)C[C@@H]3CCC[N@@H+]3C)c2)CC1 ZINC000421086315 559523497 /nfs/dbraw/zinc/52/34/97/559523497.db2.gz ARIGIFZNKDPEOB-IBGZPJMESA-N 1 3 359.518 2.386 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N(C)C[C@@H]3CCC[N@H+]3C)c2)CC1 ZINC000421086315 559523498 /nfs/dbraw/zinc/52/34/98/559523498.db2.gz ARIGIFZNKDPEOB-IBGZPJMESA-N 1 3 359.518 2.386 20 0 FEADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000422758304 559605716 /nfs/dbraw/zinc/60/57/16/559605716.db2.gz JHVKTPSXNQMBPM-IAGOWNOFSA-N 1 3 368.529 2.105 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000422780887 559606334 /nfs/dbraw/zinc/60/63/34/559606334.db2.gz KYKJREOTMGHISB-QZHFEQFPSA-N 1 3 367.921 2.055 20 0 FEADHO CCS(=O)(=O)c1ccc(N2CCC([NH2+][C@H]3CCC[C@H]3CN)CC2)cc1 ZINC000422824778 559607502 /nfs/dbraw/zinc/60/75/02/559607502.db2.gz OJZLZWOWQQXXQN-KXBFYZLASA-N 1 3 365.543 2.166 20 0 FEADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000422899568 559610484 /nfs/dbraw/zinc/61/04/84/559610484.db2.gz HQPBZOBUKKDAFH-KZVDOYCCSA-N 1 3 363.285 2.075 20 0 FEADHO C[C@H]1CC[NH2+]CC[C@H]1NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000422938354 559612065 /nfs/dbraw/zinc/61/20/65/559612065.db2.gz KPPZKALERCYYFJ-QFBILLFUSA-N 1 3 350.938 2.440 20 0 FEADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCN1C(=O)c2ccccc2C1=O ZINC000423116165 559619839 /nfs/dbraw/zinc/61/98/39/559619839.db2.gz ZSEVKSBXKURNLA-BEFAXECRSA-N 1 3 351.450 2.221 20 0 FEADHO CC(C)(CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)S(C)(=O)=O ZINC000423190945 559622406 /nfs/dbraw/zinc/62/24/06/559622406.db2.gz SEXMCWUQKSPLCZ-CRAIPNDOSA-N 1 3 352.500 2.045 20 0 FEADHO CN(C)CCOc1cccc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c1 ZINC000423342680 559625952 /nfs/dbraw/zinc/62/59/52/559625952.db2.gz VJFJMJKNVYJFIV-KRWDZBQOSA-N 1 3 357.458 2.000 20 0 FEADHO CC[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)OCCO2 ZINC000423380705 559627393 /nfs/dbraw/zinc/62/73/93/559627393.db2.gz HNPKDUALUGLLNX-WMLDXEAASA-N 1 3 373.419 2.335 20 0 FEADHO C[C@H]1C[C@H](N(C)C(=O)COC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000423388684 559627443 /nfs/dbraw/zinc/62/74/43/559627443.db2.gz KVGDIXZSQGMEPL-PKOBYXMFSA-N 1 3 359.514 2.267 20 0 FEADHO Cn1ncc2c1CCC[C@H]2NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000423541883 559631555 /nfs/dbraw/zinc/63/15/55/559631555.db2.gz BBZIITHEGOHMLL-LJQANCHMSA-N 1 3 353.514 2.381 20 0 FEADHO CN(C)CCN(CC1CCCCC1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423766973 559638792 /nfs/dbraw/zinc/63/87/92/559638792.db2.gz VVSAFEDQKKJPSL-LJQANCHMSA-N 1 3 361.534 2.392 20 0 FEADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000423800910 559639891 /nfs/dbraw/zinc/63/98/91/559639891.db2.gz SAXZFXCDQVLTQG-NMLBUPMWSA-N 1 3 356.514 2.283 20 0 FEADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)N1CCCCC1 ZINC000424008442 559650710 /nfs/dbraw/zinc/65/07/10/559650710.db2.gz WYAIACDNMBLGFB-OTWHNJEPSA-N 1 3 351.535 2.242 20 0 FEADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NC3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000424111056 559655133 /nfs/dbraw/zinc/65/51/33/559655133.db2.gz FZZYEFOHKQYFCG-AZUAARDMSA-N 1 3 356.514 2.387 20 0 FEADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NC3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000424111056 559655134 /nfs/dbraw/zinc/65/51/34/559655134.db2.gz FZZYEFOHKQYFCG-AZUAARDMSA-N 1 3 356.514 2.387 20 0 FEADHO COC(=O)[C@H](CCN(C)CC[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000425423999 559701655 /nfs/dbraw/zinc/70/16/55/559701655.db2.gz RHOJVOCKLBMHGG-HXUWFJFHSA-N 1 3 361.530 2.291 20 0 FEADHO COC(=O)[C@H](CCN(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000425423999 559701656 /nfs/dbraw/zinc/70/16/56/559701656.db2.gz RHOJVOCKLBMHGG-HXUWFJFHSA-N 1 3 361.530 2.291 20 0 FEADHO C[C@H]1[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCCN1C ZINC000425499968 559706090 /nfs/dbraw/zinc/70/60/90/559706090.db2.gz AEHSZOHLAOYDRW-IJXRJRJASA-N 1 3 356.514 2.385 20 0 FEADHO C[C@H]1[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCCN1C ZINC000425499968 559706091 /nfs/dbraw/zinc/70/60/91/559706091.db2.gz AEHSZOHLAOYDRW-IJXRJRJASA-N 1 3 356.514 2.385 20 0 FEADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCC3(N4CCSCC4)CCCC3)[C@@H]2C1 ZINC000425657569 559713430 /nfs/dbraw/zinc/71/34/30/559713430.db2.gz SXQYNHQVEFPMRO-DLBZAZTESA-N 1 3 366.575 2.084 20 0 FEADHO C[N@H+]1C[C@@H]2CCCN(C(=O)NCC3(N4CCSCC4)CCCC3)[C@@H]2C1 ZINC000425657569 559713431 /nfs/dbraw/zinc/71/34/31/559713431.db2.gz SXQYNHQVEFPMRO-DLBZAZTESA-N 1 3 366.575 2.084 20 0 FEADHO O=C(C[C@H]1CCC[NH2+]CC1)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000427315923 559753168 /nfs/dbraw/zinc/75/31/68/559753168.db2.gz PVIVUFDVUJPJGC-KRWDZBQOSA-N 1 3 372.513 2.231 20 0 FEADHO COCC[C@@]1(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CC[NH2+]C1 ZINC000430731616 559827346 /nfs/dbraw/zinc/82/73/46/559827346.db2.gz XEBVOECRFLPBOC-UWJYYQICSA-N 1 3 359.514 2.344 20 0 FEADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000430932861 559830681 /nfs/dbraw/zinc/83/06/81/559830681.db2.gz GNZVGJYEIOXCRV-ILXRZTDVSA-N 1 3 361.486 2.083 20 0 FEADHO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000430953844 559831264 /nfs/dbraw/zinc/83/12/64/559831264.db2.gz CWEVJBSLSPXWDA-ILXRZTDVSA-N 1 3 363.502 2.329 20 0 FEADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000432854226 559866249 /nfs/dbraw/zinc/86/62/49/559866249.db2.gz MVDBCIFWNAMALQ-MUGJNUQGSA-N 1 3 371.529 2.343 20 0 FEADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000432854226 559866250 /nfs/dbraw/zinc/86/62/50/559866250.db2.gz MVDBCIFWNAMALQ-MUGJNUQGSA-N 1 3 371.529 2.343 20 0 FEADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433407558 559880364 /nfs/dbraw/zinc/88/03/64/559880364.db2.gz XYBYVDKVSQBHNQ-RBUKOAKNSA-N 1 3 368.566 2.297 20 0 FEADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433407558 559880365 /nfs/dbraw/zinc/88/03/65/559880365.db2.gz XYBYVDKVSQBHNQ-RBUKOAKNSA-N 1 3 368.566 2.297 20 0 FEADHO CC[NH+](CC)CC1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000433461813 559882097 /nfs/dbraw/zinc/88/20/97/559882097.db2.gz GLESEXABBIWSCK-GOSISDBHSA-N 1 3 368.566 2.251 20 0 FEADHO C[NH+](C)CCOc1ccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000433552354 559884117 /nfs/dbraw/zinc/88/41/17/559884117.db2.gz CKIDXVUAFCSAQG-IBGZPJMESA-N 1 3 374.529 2.443 20 0 FEADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000433938162 559890779 /nfs/dbraw/zinc/89/07/79/559890779.db2.gz CJCRDKCSDLBINZ-MOPGFXCFSA-N 1 3 366.550 2.146 20 0 FEADHO CC1(C)Cc2cc(CN3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)ccc2O1 ZINC000435380393 559921800 /nfs/dbraw/zinc/92/18/00/559921800.db2.gz QXAAZHBUNYNMBP-PKOBYXMFSA-N 1 3 371.525 2.480 20 0 FEADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000436492234 559943107 /nfs/dbraw/zinc/94/31/07/559943107.db2.gz YQKWBMGLHFXGMH-OAHLLOKOSA-N 1 3 350.511 2.077 20 0 FEADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000436492234 559943108 /nfs/dbraw/zinc/94/31/08/559943108.db2.gz YQKWBMGLHFXGMH-OAHLLOKOSA-N 1 3 350.511 2.077 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H](C)O1 ZINC000440959433 560020237 /nfs/dbraw/zinc/02/02/37/560020237.db2.gz LOMMZCMNLOUYRV-ZIFCJYIRSA-N 1 3 351.535 2.399 20 0 FEADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H](C)O1 ZINC000440959433 560020238 /nfs/dbraw/zinc/02/02/38/560020238.db2.gz LOMMZCMNLOUYRV-ZIFCJYIRSA-N 1 3 351.535 2.399 20 0 FEADHO COc1cc(NC(=O)CCN2C[C@@H](C[NH3+])C[C@@H]2C)c(OC)cc1Cl ZINC000442763615 560056705 /nfs/dbraw/zinc/05/67/05/560056705.db2.gz BCLYBCFKHWBEQC-NWDGAFQWSA-N 1 3 355.866 2.355 20 0 FEADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000443063540 560068754 /nfs/dbraw/zinc/06/87/54/560068754.db2.gz WUXVZIOQBPXMBG-AEFFLSMTSA-N 1 3 373.497 2.182 20 0 FEADHO C[C@@H]1CC(F)(F)CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000527723468 562301507 /nfs/dbraw/zinc/30/15/07/562301507.db2.gz AFDKOAWRNSDCSX-CQSZACIVSA-N 1 3 358.477 2.374 20 0 FEADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000446882923 560153042 /nfs/dbraw/zinc/15/30/42/560153042.db2.gz CMTSAANLLWFNJT-UHFFFAOYSA-N 1 3 362.518 2.416 20 0 FEADHO CN(C)CCOCC[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000447598085 560165169 /nfs/dbraw/zinc/16/51/69/560165169.db2.gz HKQGCVHHJSCXBI-SJORKVTESA-N 1 3 373.497 2.152 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000448217760 560180593 /nfs/dbraw/zinc/18/05/93/560180593.db2.gz PGCODKYBQWGWHQ-SJLPKXTDSA-N 1 3 356.580 2.091 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000448217760 560180595 /nfs/dbraw/zinc/18/05/95/560180595.db2.gz PGCODKYBQWGWHQ-SJLPKXTDSA-N 1 3 356.580 2.091 20 0 FEADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000448217758 560180665 /nfs/dbraw/zinc/18/06/65/560180665.db2.gz PGCODKYBQWGWHQ-AEFFLSMTSA-N 1 3 356.580 2.091 20 0 FEADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000448217758 560180666 /nfs/dbraw/zinc/18/06/66/560180666.db2.gz PGCODKYBQWGWHQ-AEFFLSMTSA-N 1 3 356.580 2.091 20 0 FEADHO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CCCCN1C1CCCC1 ZINC000450263684 560256256 /nfs/dbraw/zinc/25/62/56/560256256.db2.gz QXSIALRKFGSAKY-RTBURBONSA-N 1 3 351.535 2.137 20 0 FEADHO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CCCCN1C1CCCC1 ZINC000450263684 560256257 /nfs/dbraw/zinc/25/62/57/560256257.db2.gz QXSIALRKFGSAKY-RTBURBONSA-N 1 3 351.535 2.137 20 0 FEADHO CC[C@H]1[C@@H](CO)CCN1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000451256587 560296213 /nfs/dbraw/zinc/29/62/13/560296213.db2.gz PIEBRPHWANKDDZ-CTNGQTDRSA-N 1 3 373.541 2.168 20 0 FEADHO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000451257261 560296307 /nfs/dbraw/zinc/29/63/07/560296307.db2.gz PYOGPVUARKDDHG-NHCUHLMSSA-N 1 3 373.541 2.122 20 0 FEADHO CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000451257261 560296308 /nfs/dbraw/zinc/29/63/08/560296308.db2.gz PYOGPVUARKDDHG-NHCUHLMSSA-N 1 3 373.541 2.122 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000451354054 560302212 /nfs/dbraw/zinc/30/22/12/560302212.db2.gz QHAUZGLWCFCPID-NCYKPQTJSA-N 1 3 373.541 2.421 20 0 FEADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000451354054 560302213 /nfs/dbraw/zinc/30/22/13/560302213.db2.gz QHAUZGLWCFCPID-NCYKPQTJSA-N 1 3 373.541 2.421 20 0 FEADHO COC(=O)[C@H]1C[N@H+](CCCN2CCN(C(C)C)CC2)C[C@@H]1c1ccccc1 ZINC000451998911 560344237 /nfs/dbraw/zinc/34/42/37/560344237.db2.gz CFMZRFWYEMHFRX-RTWAWAEBSA-N 1 3 373.541 2.291 20 0 FEADHO COC(=O)[C@H]1C[N@@H+](CCCN2CCN(C(C)C)CC2)C[C@@H]1c1ccccc1 ZINC000451998911 560344238 /nfs/dbraw/zinc/34/42/38/560344238.db2.gz CFMZRFWYEMHFRX-RTWAWAEBSA-N 1 3 373.541 2.291 20 0 FEADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453012683 560381007 /nfs/dbraw/zinc/38/10/07/560381007.db2.gz JZHCALJLCRFSNI-UHFFFAOYSA-N 1 3 360.502 2.067 20 0 FEADHO OC1CCN(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453358153 560385715 /nfs/dbraw/zinc/38/57/15/560385715.db2.gz JYHRIEYJYWKYSZ-BDTNDASRSA-N 1 3 357.542 2.476 20 0 FEADHO OC1CCN(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453358153 560385716 /nfs/dbraw/zinc/38/57/16/560385716.db2.gz JYHRIEYJYWKYSZ-BDTNDASRSA-N 1 3 357.542 2.476 20 0 FEADHO OC1CCN(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453358153 560385717 /nfs/dbraw/zinc/38/57/17/560385717.db2.gz JYHRIEYJYWKYSZ-BDTNDASRSA-N 1 3 357.542 2.476 20 0 FEADHO CCC(C)(C)OCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000454459969 560445272 /nfs/dbraw/zinc/44/52/72/560445272.db2.gz QTDKLJPDBRSCBJ-UHFFFAOYSA-N 1 3 354.539 2.049 20 0 FEADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)CN1CCN(C)CC1 ZINC000455929190 560500719 /nfs/dbraw/zinc/50/07/19/560500719.db2.gz OKJYQUFMFHQLTJ-OXQOHEQNSA-N 1 3 373.545 2.241 20 0 FEADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000457110096 560549777 /nfs/dbraw/zinc/54/97/77/560549777.db2.gz HSUCRPBYFQJSPS-OAQYLSRUSA-N 1 3 373.541 2.446 20 0 FEADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000457110096 560549778 /nfs/dbraw/zinc/54/97/78/560549778.db2.gz HSUCRPBYFQJSPS-OAQYLSRUSA-N 1 3 373.541 2.446 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NCC[N@H+](C)C2CC2)N(C)C)cc1 ZINC000458377525 560618650 /nfs/dbraw/zinc/61/86/50/560618650.db2.gz FMMXNGSNHDZQRI-QGZVFWFLSA-N 1 3 350.532 2.405 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)NCC[N@@H+](C)C2CC2)N(C)C)cc1 ZINC000458377525 560618651 /nfs/dbraw/zinc/61/86/51/560618651.db2.gz FMMXNGSNHDZQRI-QGZVFWFLSA-N 1 3 350.532 2.405 20 0 FEADHO CN(CCCN(C)C(=O)NCC[C@H]1CCC[N@H+](C)C1)Cc1ccco1 ZINC000459330166 560680073 /nfs/dbraw/zinc/68/00/73/560680073.db2.gz ZFCHUVMHSZKNGI-QGZVFWFLSA-N 1 3 350.507 2.475 20 0 FEADHO CN(CCCN(C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1)Cc1ccco1 ZINC000459330166 560680074 /nfs/dbraw/zinc/68/00/74/560680074.db2.gz ZFCHUVMHSZKNGI-QGZVFWFLSA-N 1 3 350.507 2.475 20 0 FEADHO C[C@@H]([NH2+]C1(CNC(=O)NC[C@@]2(O)CCN(C)C2)CCCC1)c1ccccc1 ZINC000460272036 560740081 /nfs/dbraw/zinc/74/00/81/560740081.db2.gz UDCTXQKPGWZIKT-UTKZUKDTSA-N 1 3 374.529 2.016 20 0 FEADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1COc2ccccc21 ZINC000461752350 560781645 /nfs/dbraw/zinc/78/16/45/560781645.db2.gz UAGNYNQEUGFPPL-QZTJIDSGSA-N 1 3 374.529 2.220 20 0 FEADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1COc2ccccc21 ZINC000461752350 560781646 /nfs/dbraw/zinc/78/16/46/560781646.db2.gz UAGNYNQEUGFPPL-QZTJIDSGSA-N 1 3 374.529 2.220 20 0 FEADHO CN(C)C1(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)Cc2ccccc2C1 ZINC000465694661 560871233 /nfs/dbraw/zinc/87/12/33/560871233.db2.gz YKWNMOUSSHNHOA-OALUTQOASA-N 1 3 356.514 2.012 20 0 FEADHO CN(C)C1(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)Cc2ccccc2C1 ZINC000465694661 560871234 /nfs/dbraw/zinc/87/12/34/560871234.db2.gz YKWNMOUSSHNHOA-OALUTQOASA-N 1 3 356.514 2.012 20 0 FEADHO COCCN1CC[C@H](NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000465950125 560876893 /nfs/dbraw/zinc/87/68/93/560876893.db2.gz LWBGYXWXVJGKIR-QUCCMNQESA-N 1 3 374.529 2.013 20 0 FEADHO COCCN1CC[C@H](NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000465950125 560876895 /nfs/dbraw/zinc/87/68/95/560876895.db2.gz LWBGYXWXVJGKIR-QUCCMNQESA-N 1 3 374.529 2.013 20 0 FEADHO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000467708305 560915286 /nfs/dbraw/zinc/91/52/86/560915286.db2.gz DBCQSBNIWMPZSH-GHTZIAJQSA-N 1 3 370.541 2.188 20 0 FEADHO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000467708305 560915287 /nfs/dbraw/zinc/91/52/87/560915287.db2.gz DBCQSBNIWMPZSH-GHTZIAJQSA-N 1 3 370.541 2.188 20 0 FEADHO Cc1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c(OC(F)F)cc1C ZINC000470020678 560972365 /nfs/dbraw/zinc/97/23/65/560972365.db2.gz JYXCCWAGGKWLEK-CQSZACIVSA-N 1 3 355.429 2.192 20 0 FEADHO CCN(CCNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000471816510 561012324 /nfs/dbraw/zinc/01/23/24/561012324.db2.gz OTTPNKOFXUTVBW-KDURUIRLSA-N 1 3 356.514 2.244 20 0 FEADHO CCN(CCNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000471816510 561012325 /nfs/dbraw/zinc/01/23/25/561012325.db2.gz OTTPNKOFXUTVBW-KDURUIRLSA-N 1 3 356.514 2.244 20 0 FEADHO C[C@H]([NH2+][C@H]1CCC[C@@]1(C)CO)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000472610485 561030935 /nfs/dbraw/zinc/03/09/35/561030935.db2.gz NJEVAHVEIMGXLX-XJABCFGWSA-N 1 3 373.541 2.296 20 0 FEADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)C1 ZINC000472981501 561039462 /nfs/dbraw/zinc/03/94/62/561039462.db2.gz VZJLMNKVCQFODM-GBESFXJTSA-N 1 3 368.566 2.392 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CCC[N@H+](C)[C@@H]3C)c2)CC1 ZINC000473838338 561058645 /nfs/dbraw/zinc/05/86/45/561058645.db2.gz WUXXABUPLVHIQS-APWZRJJASA-N 1 3 359.518 2.433 20 0 FEADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CCC[N@@H+](C)[C@@H]3C)c2)CC1 ZINC000473838338 561058646 /nfs/dbraw/zinc/05/86/46/561058646.db2.gz WUXXABUPLVHIQS-APWZRJJASA-N 1 3 359.518 2.433 20 0 FEADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCCN(C)CC1 ZINC000474520688 561075871 /nfs/dbraw/zinc/07/58/71/561075871.db2.gz RWVKARVUKBLGOO-QZTJIDSGSA-N 1 3 358.530 2.490 20 0 FEADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000476254824 561114604 /nfs/dbraw/zinc/11/46/04/561114604.db2.gz XLZRIBYULSFBHF-IBGZPJMESA-N 1 3 374.573 2.429 20 0 FEADHO C[NH+]1CCC(N2CCC(NC(=O)COC/C=C\c3ccccc3)CC2)CC1 ZINC000477075344 561136020 /nfs/dbraw/zinc/13/60/20/561136020.db2.gz ZZBIWZDDZDFKIB-YVMONPNESA-N 1 3 371.525 2.391 20 0 FEADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)CC1 ZINC000528750514 562345902 /nfs/dbraw/zinc/34/59/02/562345902.db2.gz ANNXZHPZJKWRBB-SUWCGCSTSA-N 1 3 373.541 2.477 20 0 FEADHO C[C@@H](CNC(=O)CC1(N2CCOCC2)CCCC1)[N@@H+]1CCCC[C@H]1C ZINC000530571864 562416245 /nfs/dbraw/zinc/41/62/45/562416245.db2.gz OHBUQAZANLZUHX-MSOLQXFVSA-N 1 3 351.535 2.401 20 0 FEADHO C[C@@H](CNC(=O)CC1(N2CCOCC2)CCCC1)[N@H+]1CCCC[C@H]1C ZINC000530571864 562416246 /nfs/dbraw/zinc/41/62/46/562416246.db2.gz OHBUQAZANLZUHX-MSOLQXFVSA-N 1 3 351.535 2.401 20 0 FEADHO C[C@@H](CNC(=O)CC1(N2CCOCC2)CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000530812927 562424740 /nfs/dbraw/zinc/42/47/40/562424740.db2.gz KXTCPWBBAPCOTQ-MSOLQXFVSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H](CNC(=O)CC1(N2CCOCC2)CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000530812927 562424741 /nfs/dbraw/zinc/42/47/41/562424741.db2.gz KXTCPWBBAPCOTQ-MSOLQXFVSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000530826383 562425273 /nfs/dbraw/zinc/42/52/73/562425273.db2.gz DLBAVPYPGRKTEV-WIYYLYMNSA-N 1 3 359.514 2.004 20 0 FEADHO C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000530826383 562425274 /nfs/dbraw/zinc/42/52/74/562425274.db2.gz DLBAVPYPGRKTEV-WIYYLYMNSA-N 1 3 359.514 2.004 20 0 FEADHO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530880549 562427158 /nfs/dbraw/zinc/42/71/58/562427158.db2.gz YFZWEMHXJJKEGE-HNNXBMFYSA-N 1 3 355.910 2.368 20 0 FEADHO C[N@H+](CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000531287502 562440702 /nfs/dbraw/zinc/44/07/02/562440702.db2.gz CHIQDMFRNZJXFW-NRFANRHFSA-N 1 3 359.514 2.004 20 0 FEADHO C[N@@H+](CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC000531287502 562440703 /nfs/dbraw/zinc/44/07/03/562440703.db2.gz CHIQDMFRNZJXFW-NRFANRHFSA-N 1 3 359.514 2.004 20 0 FEADHO C[C@H](Cn1cc(Br)cn1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000536848007 562581391 /nfs/dbraw/zinc/58/13/91/562581391.db2.gz WQLCNUKOTUOEDI-KCXAZCMYSA-N 1 3 371.323 2.002 20 0 FEADHO CC[NH+]1CCC(CCNC(=O)Nc2cnn(C3CCN(C)CC3)c2)CC1 ZINC000636851651 568138855 /nfs/dbraw/zinc/13/88/55/568138855.db2.gz CUJVXMOTNLFBAD-UHFFFAOYSA-N 1 3 362.522 2.393 20 0 FEADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000636875252 568146619 /nfs/dbraw/zinc/14/66/19/568146619.db2.gz YBPBMQNAKYJRCQ-HNNXBMFYSA-N 1 3 354.445 2.180 20 0 FEADHO O=C(N[C@H]1CCN(C2CC2)C1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000604168340 568220733 /nfs/dbraw/zinc/22/07/33/568220733.db2.gz LYMCIECEGFOEPG-IBGZPJMESA-N 1 3 356.514 2.229 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC3(OC)CCC3)CC2)CC1 ZINC000563399065 674882698 /nfs/dbraw/zinc/88/26/98/674882698.db2.gz RHEHHONSURHVSY-UHFFFAOYSA-N 1 3 351.535 2.258 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3Cc2cncs2)CC[N@@H+]1C ZINC001048526913 675009094 /nfs/dbraw/zinc/00/90/94/675009094.db2.gz FXYHWFGERAXNCY-XLKGFZLASA-N 1 3 362.543 2.343 20 0 FEADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3Cc2cncs2)CC[N@H+]1C ZINC001048526913 675009095 /nfs/dbraw/zinc/00/90/95/675009095.db2.gz FXYHWFGERAXNCY-XLKGFZLASA-N 1 3 362.543 2.343 20 0 FEADHO COC1CCN(CCNC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000080146391 670616824 /nfs/dbraw/zinc/61/68/24/670616824.db2.gz ULRAYJKHAXSEKK-UHFFFAOYSA-N 1 3 354.539 2.053 20 0 FEADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000570191113 670675759 /nfs/dbraw/zinc/67/57/59/670675759.db2.gz UJYVUXIAOVFJJC-QAPCUYQASA-N 1 3 350.482 2.460 20 0 FEADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)C1 ZINC000570191113 670675767 /nfs/dbraw/zinc/67/57/67/670675767.db2.gz UJYVUXIAOVFJJC-QAPCUYQASA-N 1 3 350.482 2.460 20 0 FEADHO CCN1CCC[C@H]1CNC(=[NH2+])NC1CCC(C(=O)OC(C)(C)C)CC1 ZINC000093888083 670756030 /nfs/dbraw/zinc/75/60/30/670756030.db2.gz QCTZMZNMPUCHCB-GPANFISMSA-N 1 3 352.523 2.276 20 0 FEADHO CCN1CCN(C[C@H](C)CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)CC1 ZINC000104174724 670790600 /nfs/dbraw/zinc/79/06/00/670790600.db2.gz MWIZGUBMJFPKKA-CQSZACIVSA-N 1 3 367.925 2.349 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCCSC3)CC2)CC1 ZINC000572421842 670999592 /nfs/dbraw/zinc/99/95/92/670999592.db2.gz KYKPIJUHRUNWES-MRXNPFEDSA-N 1 3 353.576 2.442 20 0 FEADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000572944257 671062976 /nfs/dbraw/zinc/06/29/76/671062976.db2.gz JUWCFXJKRCUMIF-WRSAYESZSA-N 1 3 364.515 2.081 20 0 FEADHO [NH3+][C@H]1CCC[C@@H](NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000575430195 671313141 /nfs/dbraw/zinc/31/31/41/671313141.db2.gz SNBBQELAKVDXOV-WDEREUQCSA-N 1 3 366.314 2.131 20 0 FEADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000576218967 671352618 /nfs/dbraw/zinc/35/26/18/671352618.db2.gz IDCBIVSCKMTXQF-YPMHNXCESA-N 1 3 350.264 2.451 20 0 FEADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000576218967 671352624 /nfs/dbraw/zinc/35/26/24/671352624.db2.gz IDCBIVSCKMTXQF-YPMHNXCESA-N 1 3 350.264 2.451 20 0 FEADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000580297123 671795939 /nfs/dbraw/zinc/79/59/39/671795939.db2.gz MVVSEBJGBKDSAG-YJBOKZPZSA-N 1 3 362.543 2.397 20 0 FEADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000580539575 671816429 /nfs/dbraw/zinc/81/64/29/671816429.db2.gz UYXWAGUTBQGOQX-DLBZAZTESA-N 1 3 366.575 2.035 20 0 FEADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000390003709 673159741 /nfs/dbraw/zinc/15/97/41/673159741.db2.gz VJBRUAWGQUYWPA-KMFMINBZSA-N 1 3 355.404 2.165 20 0 FEADHO O=C(NCCNc1cc[nH+]cc1)NC[C@H](c1cccs1)N1CCCC1 ZINC000536016983 673358449 /nfs/dbraw/zinc/35/84/49/673358449.db2.gz GJKYIQWDOPTRHE-MRXNPFEDSA-N 1 3 359.499 2.113 20 0 FEADHO COC(=O)c1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1Cl ZINC000597061300 673443733 /nfs/dbraw/zinc/44/37/33/673443733.db2.gz QZIHXFPYYGPBON-UHFFFAOYSA-N 1 3 354.878 2.452 20 0 FEADHO O[C@H](C[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1Cl ZINC000819174107 675266384 /nfs/dbraw/zinc/26/63/84/675266384.db2.gz OJOGVAZJDQGNQF-RCCFBDPRSA-N 1 3 356.869 2.480 20 0 FEADHO CCO[C@H](C)c1nc(CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000568396459 675371112 /nfs/dbraw/zinc/37/11/12/675371112.db2.gz JEUZVQIGMDZYRT-HZPDHXFCSA-N 1 3 352.548 2.358 20 0 FEADHO CSc1ccc([C@H](CNC(=O)COC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000820834127 675392299 /nfs/dbraw/zinc/39/22/99/675392299.db2.gz DMLFHZFLKJECIA-SFHVURJKSA-N 1 3 365.543 2.238 20 0 FEADHO C[NH+](C)C[C@H]1CCN(C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000822621278 675496291 /nfs/dbraw/zinc/49/62/91/675496291.db2.gz HPRCZWXSWSVHJR-VQIMIIECSA-N 1 3 355.523 2.022 20 0 FEADHO CN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC1(C)C ZINC000623379612 676531944 /nfs/dbraw/zinc/53/19/44/676531944.db2.gz BDILRGCBCHEXOZ-CQSZACIVSA-N 1 3 359.923 2.081 20 0 FEADHO Cc1cc(CNCCC[N@H+]2CCCN(C)CC2)ncc1Br ZINC000623404690 676533343 /nfs/dbraw/zinc/53/33/43/676533343.db2.gz HACAJKAHJYXZBF-UHFFFAOYSA-N 1 3 355.324 2.270 20 0 FEADHO Cc1cc(CNCCC[N@@H+]2CCCN(C)CC2)ncc1Br ZINC000623404690 676533345 /nfs/dbraw/zinc/53/33/45/676533345.db2.gz HACAJKAHJYXZBF-UHFFFAOYSA-N 1 3 355.324 2.270 20 0 FEADHO C[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1cccc(Br)c1 ZINC000629564455 676859815 /nfs/dbraw/zinc/85/98/15/676859815.db2.gz KWVQBTLQZNWGEY-DZGCQCFKSA-N 1 3 357.292 2.263 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000629650374 676864014 /nfs/dbraw/zinc/86/40/14/676864014.db2.gz SSBQWUDRQSNRJB-GDBMZVCRSA-N 1 3 351.441 2.342 20 0 FEADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)C1 ZINC000629650374 676864016 /nfs/dbraw/zinc/86/40/16/676864016.db2.gz SSBQWUDRQSNRJB-GDBMZVCRSA-N 1 3 351.441 2.342 20 0 FEADHO CC(C)(O)CN1CCC([NH2+]CC2(N3CCSCC3)CCCC2)CC1 ZINC000638360867 677143907 /nfs/dbraw/zinc/14/39/07/677143907.db2.gz WCAPHEYLDISXNN-UHFFFAOYSA-N 1 3 355.592 2.173 20 0 FEADHO C[C@@H](C[NH2+]Cc1nc2cc(Br)ccc2o1)N1CCN(C)CC1 ZINC000638568962 677147183 /nfs/dbraw/zinc/14/71/83/677147183.db2.gz HQPWFASLLKUWEY-LBPRGKRZSA-N 1 3 367.291 2.316 20 0 FEADHO C[C@@H](Cn1cc(Br)ccc1=O)NCc1ccc(C[NH3+])cc1F ZINC000650754719 677388498 /nfs/dbraw/zinc/38/84/98/677388498.db2.gz PPVKGKQLQAZGRB-NSHDSACASA-N 1 3 368.250 2.387 20 0 FEADHO CC1CCC(N(C)C(=O)CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652346641 677480808 /nfs/dbraw/zinc/48/08/08/677480808.db2.gz CFPVXKOAQUVGGT-XMMCJJCJSA-N 1 3 351.535 2.242 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCOC(C)(C)C)CC2)CC1 ZINC000654923712 677612467 /nfs/dbraw/zinc/61/24/67/677612467.db2.gz GRTLVIRYYWFJPB-UHFFFAOYSA-N 1 3 353.551 2.456 20 0 FEADHO CSc1ccc([C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000655925807 677693148 /nfs/dbraw/zinc/69/31/48/677693148.db2.gz FQJPRCVJBNQJDC-OLZOCXBDSA-N 1 3 364.437 2.200 20 0 FEADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616724 678192868 /nfs/dbraw/zinc/19/28/68/678192868.db2.gz IZDPBPBGAVXITG-UHFFFAOYSA-N 1 3 350.894 2.165 20 0 FEADHO C[C@@H]1CCCN(Cc2cccc(S(=O)(=O)N(C)C)c2)[C@@H]1CCC[NH3+] ZINC000662316832 678603675 /nfs/dbraw/zinc/60/36/75/678603675.db2.gz XJFXBFINFSLXJO-CRAIPNDOSA-N 1 3 353.532 2.276 20 0 FEADHO CC(C)C[C@H]1OCCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664708298 678918005 /nfs/dbraw/zinc/91/80/05/678918005.db2.gz JKKTVQKPVKKXAK-RCCFBDPRSA-N 1 3 356.555 2.151 20 0 FEADHO CC(C)C[C@H]1OCCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664708298 678918007 /nfs/dbraw/zinc/91/80/07/678918007.db2.gz JKKTVQKPVKKXAK-RCCFBDPRSA-N 1 3 356.555 2.151 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cc(Cl)cn1C ZINC000665759676 678981791 /nfs/dbraw/zinc/98/17/91/678981791.db2.gz MHHWXFLGVQNQMT-AWEZNQCLSA-N 1 3 357.930 2.092 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cc(Cl)cn1C ZINC000665759676 678981794 /nfs/dbraw/zinc/98/17/94/678981794.db2.gz MHHWXFLGVQNQMT-AWEZNQCLSA-N 1 3 357.930 2.092 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(Br)ccn1 ZINC000666894053 679050997 /nfs/dbraw/zinc/05/09/97/679050997.db2.gz BRSLOJVGIVRDRK-LBPRGKRZSA-N 1 3 372.311 2.238 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(Br)ccn1 ZINC000666894053 679050998 /nfs/dbraw/zinc/05/09/98/679050998.db2.gz BRSLOJVGIVRDRK-LBPRGKRZSA-N 1 3 372.311 2.238 20 0 FEADHO C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000672884225 679398867 /nfs/dbraw/zinc/39/88/67/679398867.db2.gz QGYSCWDDURFFSX-KSSFIOAISA-N 1 3 350.482 2.458 20 0 FEADHO O=S(=O)(CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000840881872 680849015 /nfs/dbraw/zinc/84/90/15/680849015.db2.gz FZWGJYMNKVIZGM-MISYRCLQSA-N 1 3 362.539 2.454 20 0 FEADHO O=S(=O)(CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000840881872 680849016 /nfs/dbraw/zinc/84/90/16/680849016.db2.gz FZWGJYMNKVIZGM-MISYRCLQSA-N 1 3 362.539 2.454 20 0 FEADHO CN(C)Cc1ccsc1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000674878586 679512795 /nfs/dbraw/zinc/51/27/95/679512795.db2.gz JCVQHXQCFCGWRW-KRWDZBQOSA-N 1 3 364.559 2.050 20 0 FEADHO CN(C)Cc1ccsc1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000674878586 679512800 /nfs/dbraw/zinc/51/28/00/679512800.db2.gz JCVQHXQCFCGWRW-KRWDZBQOSA-N 1 3 364.559 2.050 20 0 FEADHO CN(C)Cc1ccsc1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000674878586 679512804 /nfs/dbraw/zinc/51/28/04/679512804.db2.gz JCVQHXQCFCGWRW-KRWDZBQOSA-N 1 3 364.559 2.050 20 0 FEADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=S)NC1CCN(C)CC1 ZINC000749828934 680078333 /nfs/dbraw/zinc/07/83/33/680078333.db2.gz KGDZMKFPCICIOB-VQIMIIECSA-N 1 3 360.571 2.455 20 0 FEADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=S)NC1CCN(C)CC1 ZINC000749828934 680078338 /nfs/dbraw/zinc/07/83/38/680078338.db2.gz KGDZMKFPCICIOB-VQIMIIECSA-N 1 3 360.571 2.455 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cccc(Cl)n3)C2)CC[N@@H+]1C ZINC001022107394 680196735 /nfs/dbraw/zinc/19/67/35/680196735.db2.gz WTVIBCVOBMDBGG-XUWVNRHRSA-N 1 3 350.894 2.202 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cccc(Cl)n3)C2)CC[N@H+]1C ZINC001022107394 680196737 /nfs/dbraw/zinc/19/67/37/680196737.db2.gz WTVIBCVOBMDBGG-XUWVNRHRSA-N 1 3 350.894 2.202 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(CCc3ccns3)C2)CC[N@@H+]1C ZINC001023380580 680258092 /nfs/dbraw/zinc/25/80/92/680258092.db2.gz CJHLDJOKCYFPDU-RYQLBKOJSA-N 1 3 364.559 2.244 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(CCc3ccns3)C2)CC[N@H+]1C ZINC001023380580 680258094 /nfs/dbraw/zinc/25/80/94/680258094.db2.gz CJHLDJOKCYFPDU-RYQLBKOJSA-N 1 3 364.559 2.244 20 0 FEADHO Cc1nc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001026853971 680351144 /nfs/dbraw/zinc/35/11/44/680351144.db2.gz XDZUQLGXVFYAPD-UHOFOFEASA-N 1 3 350.532 2.038 20 0 FEADHO Cc1nc(CNC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001026853971 680351149 /nfs/dbraw/zinc/35/11/49/680351149.db2.gz XDZUQLGXVFYAPD-UHOFOFEASA-N 1 3 350.532 2.038 20 0 FEADHO Cc1ncsc1CN(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000985442030 680448986 /nfs/dbraw/zinc/44/89/86/680448986.db2.gz OMYZXGUUHRHHNT-GDBMZVCRSA-N 1 3 350.532 2.215 20 0 FEADHO Cc1ncsc1CN(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000985442030 680448989 /nfs/dbraw/zinc/44/89/89/680448989.db2.gz OMYZXGUUHRHHNT-GDBMZVCRSA-N 1 3 350.532 2.215 20 0 FEADHO Cc1cc([C@@H](N)CC(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc(Cl)n1 ZINC000842514951 680951650 /nfs/dbraw/zinc/95/16/50/680951650.db2.gz KGLFDNDITIKXFA-HIFRSBDPSA-N 1 3 350.894 2.424 20 0 FEADHO O[C@H](CNCCC[NH+]1CCC(O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000843061682 680985023 /nfs/dbraw/zinc/98/50/23/680985023.db2.gz HDIQUPJJQIPILF-MRXNPFEDSA-N 1 3 362.392 2.055 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932711009 681294049 /nfs/dbraw/zinc/29/40/49/681294049.db2.gz OTNIXWHEUBKJCO-BRWVUGGUSA-N 1 3 357.539 2.170 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932711009 681294054 /nfs/dbraw/zinc/29/40/54/681294054.db2.gz OTNIXWHEUBKJCO-BRWVUGGUSA-N 1 3 357.539 2.170 20 0 FEADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnn(C(F)F)c3)CC2)CC1 ZINC000847401804 681374032 /nfs/dbraw/zinc/37/40/32/681374032.db2.gz KCTUFEHTRCFBHT-UHFFFAOYSA-N 1 3 355.433 2.413 20 0 FEADHO CCN1CCN(c2ccc(NC(=O)C[NH2+]C(C)(C)CSC)cc2)CC1 ZINC000934663155 681608634 /nfs/dbraw/zinc/60/86/34/681608634.db2.gz JDORANKPQIIUIT-UHFFFAOYSA-N 1 3 364.559 2.498 20 0 FEADHO C[C@@H](Cc1ccccc1)NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000849276792 681676006 /nfs/dbraw/zinc/67/60/06/681676006.db2.gz PGYGCGHSNVDWBS-IRXDYDNUSA-N 1 3 350.576 2.354 20 0 FEADHO C[C@@H](Cc1ccccc1)NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000849276792 681676011 /nfs/dbraw/zinc/67/60/11/681676011.db2.gz PGYGCGHSNVDWBS-IRXDYDNUSA-N 1 3 350.576 2.354 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)N[C@@H]1CCc2ccccc2C1 ZINC000849276496 681676230 /nfs/dbraw/zinc/67/62/30/681676230.db2.gz JYZSQLXTEMBDJI-QFBILLFUSA-N 1 3 362.587 2.280 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)N[C@@H]1CCc2ccccc2C1 ZINC000849276496 681676231 /nfs/dbraw/zinc/67/62/31/681676231.db2.gz JYZSQLXTEMBDJI-QFBILLFUSA-N 1 3 362.587 2.280 20 0 FEADHO CN(C)C[C@@H](NC(=O)COC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000935869563 681841131 /nfs/dbraw/zinc/84/11/31/681841131.db2.gz RKFDKGZEJGPLHV-QGZVFWFLSA-N 1 3 353.894 2.170 20 0 FEADHO C[C@@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000914350653 685505066 /nfs/dbraw/zinc/50/50/66/685505066.db2.gz VJIOEFHXCLHLDK-LMMKCTJWSA-N 1 3 369.575 2.045 20 0 FEADHO C[C@@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000914350653 685505067 /nfs/dbraw/zinc/50/50/67/685505067.db2.gz VJIOEFHXCLHLDK-LMMKCTJWSA-N 1 3 369.575 2.045 20 0 FEADHO C[C@H]1C[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCS1 ZINC000915500161 685515689 /nfs/dbraw/zinc/51/56/89/685515689.db2.gz CZGSNMUMFVWQHY-HOCLYGCPSA-N 1 3 354.564 2.128 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2CC(CNCc3ncc(C)s3)C2)CC[N@@H+]1C ZINC000961855107 682103000 /nfs/dbraw/zinc/10/30/00/682103000.db2.gz MEUCGKMGZBPYKK-SSHXOBKSSA-N 1 3 350.532 2.166 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)NC2CC(CNCc3ncc(C)s3)C2)CC[N@H+]1C ZINC000961855107 682103003 /nfs/dbraw/zinc/10/30/03/682103003.db2.gz MEUCGKMGZBPYKK-SSHXOBKSSA-N 1 3 350.532 2.166 20 0 FEADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000852156675 682229668 /nfs/dbraw/zinc/22/96/68/682229668.db2.gz VDJNOTTWYFCXFT-IKGGRYGDSA-N 1 3 357.539 2.170 20 0 FEADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000852156675 682229674 /nfs/dbraw/zinc/22/96/74/682229674.db2.gz VDJNOTTWYFCXFT-IKGGRYGDSA-N 1 3 357.539 2.170 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000852156678 682229812 /nfs/dbraw/zinc/22/98/12/682229812.db2.gz VDJNOTTWYFCXFT-IXDOHACOSA-N 1 3 357.539 2.170 20 0 FEADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000852156678 682229813 /nfs/dbraw/zinc/22/98/13/682229813.db2.gz VDJNOTTWYFCXFT-IXDOHACOSA-N 1 3 357.539 2.170 20 0 FEADHO COc1cc(Cl)ccc1CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968728784 682243386 /nfs/dbraw/zinc/24/33/86/682243386.db2.gz XIZLHYGKZFWRGB-KBRIMQKVSA-N 1 3 365.905 2.379 20 0 FEADHO COc1cc(Cl)ccc1CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968728784 682243390 /nfs/dbraw/zinc/24/33/90/682243390.db2.gz XIZLHYGKZFWRGB-KBRIMQKVSA-N 1 3 365.905 2.379 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccnc(Cl)c3)C2)CC[N@@H+]1C ZINC000968738132 682243785 /nfs/dbraw/zinc/24/37/85/682243785.db2.gz NWNVDIZFPYMKSR-OWCLPIDISA-N 1 3 350.894 2.156 20 0 FEADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3ccnc(Cl)c3)C2)CC[N@H+]1C ZINC000968738132 682243788 /nfs/dbraw/zinc/24/37/88/682243788.db2.gz NWNVDIZFPYMKSR-OWCLPIDISA-N 1 3 350.894 2.156 20 0 FEADHO C[NH+](C)CCCCCCCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000853487167 682422061 /nfs/dbraw/zinc/42/20/61/682422061.db2.gz IMPJPTSEXGNIHN-SFHVURJKSA-N 1 3 354.539 2.051 20 0 FEADHO CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)CCCC[NH+](C)C)CC1 ZINC000854334599 682538136 /nfs/dbraw/zinc/53/81/36/682538136.db2.gz MYHRXNIYOVLHTP-GOSISDBHSA-N 1 3 355.567 2.438 20 0 FEADHO CCOC(=O)C1([C@@H](C)NCc2nc3c(s2)CCCC3)CC[NH2+]CC1 ZINC000925829310 683041564 /nfs/dbraw/zinc/04/15/64/683041564.db2.gz AYXFURSJSVREFT-CYBMUJFWSA-N 1 3 351.516 2.433 20 0 FEADHO COCCN(CCOC)C1CC[NH+](C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000796516360 683167516 /nfs/dbraw/zinc/16/75/16/683167516.db2.gz RJZVQVKGXQXCMV-HXUWFJFHSA-N 1 3 350.503 2.088 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc2nsnc21 ZINC000861603133 683442513 /nfs/dbraw/zinc/44/25/13/683442513.db2.gz XJECKPAOUPBBHB-LBPRGKRZSA-N 1 3 350.492 2.085 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc2nsnc21 ZINC000861603133 683442519 /nfs/dbraw/zinc/44/25/19/683442519.db2.gz XJECKPAOUPBBHB-LBPRGKRZSA-N 1 3 350.492 2.085 20 0 FEADHO C[NH+](C)CC[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1cccnc1 ZINC000928827219 683509591 /nfs/dbraw/zinc/50/95/91/683509591.db2.gz JPQUEIZHBWZVJT-QFBILLFUSA-N 1 3 350.482 2.403 20 0 FEADHO Cc1nc(CNCCCN2CCC[N@@H+](C)CC2)sc1Br ZINC000921691534 683544540 /nfs/dbraw/zinc/54/45/40/683544540.db2.gz ZDBGGQDVSJAQOO-UHFFFAOYSA-N 1 3 361.353 2.331 20 0 FEADHO Cc1nc(CNCCCN2CCC[N@H+](C)CC2)sc1Br ZINC000921691534 683544545 /nfs/dbraw/zinc/54/45/45/683544545.db2.gz ZDBGGQDVSJAQOO-UHFFFAOYSA-N 1 3 361.353 2.331 20 0 FEADHO C[NH+](C)C1(CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000922268075 683690348 /nfs/dbraw/zinc/69/03/48/683690348.db2.gz CUCABOVWPPKWMO-UHFFFAOYSA-N 1 3 362.440 2.185 20 0 FEADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(C(F)(F)F)nn1C)C2 ZINC000922390752 683712600 /nfs/dbraw/zinc/71/26/00/683712600.db2.gz OLUNNBJPTDEHNR-VDERGJSUSA-N 1 3 360.424 2.008 20 0 FEADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(C(F)(F)F)nn1C)C2 ZINC000922390752 683712606 /nfs/dbraw/zinc/71/26/06/683712606.db2.gz OLUNNBJPTDEHNR-VDERGJSUSA-N 1 3 360.424 2.008 20 0 FEADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnn(CC(F)F)c3)C2)[C@H]1C(C)C ZINC000922395365 683714340 /nfs/dbraw/zinc/71/43/40/683714340.db2.gz WNKKVZXOCINNLG-AHCXZYCDSA-N 1 3 356.461 2.108 20 0 FEADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnn(CC(F)F)c3)C2)[C@H]1C(C)C ZINC000922395365 683714346 /nfs/dbraw/zinc/71/43/46/683714346.db2.gz WNKKVZXOCINNLG-AHCXZYCDSA-N 1 3 356.461 2.108 20 0 FEADHO CC(C)(C)OC(=O)N1CCC(C)(CNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000863553954 683742299 /nfs/dbraw/zinc/74/22/99/683742299.db2.gz NNLWLMGFEUANOP-INIZCTEOSA-N 1 3 355.523 2.070 20 0 FEADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCSC2(CCC2)C1 ZINC000923197919 684239465 /nfs/dbraw/zinc/23/94/65/684239465.db2.gz CCOMNAWMEFGYOG-HOTGVXAUSA-N 1 3 356.580 2.376 20 0 FEADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCSC2(CCC2)C1 ZINC000923197919 684239469 /nfs/dbraw/zinc/23/94/69/684239469.db2.gz CCOMNAWMEFGYOG-HOTGVXAUSA-N 1 3 356.580 2.376 20 0 FEADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000923429206 684279461 /nfs/dbraw/zinc/27/94/61/684279461.db2.gz RKLYSCGDEFLGTE-UVGYSCORSA-N 1 3 373.280 2.239 20 0 FEADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)COc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC000931437667 684283377 /nfs/dbraw/zinc/28/33/77/684283377.db2.gz UHJLYBJWQCNINV-QLFBSQMISA-N 1 3 358.404 2.329 20 0 FEADHO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)COc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC000931437667 684283379 /nfs/dbraw/zinc/28/33/79/684283379.db2.gz UHJLYBJWQCNINV-QLFBSQMISA-N 1 3 358.404 2.329 20 0 FEADHO C[C@H]1CN(CC(=O)N(C)Cc2ccccc2Br)CC[C@@H]1C[NH3+] ZINC000923502622 684294103 /nfs/dbraw/zinc/29/41/03/684294103.db2.gz CUHXPLSACVCQFM-UONOGXRCSA-N 1 3 368.319 2.324 20 0 FEADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)c2)nn1 ZINC000873218677 685097900 /nfs/dbraw/zinc/09/79/00/685097900.db2.gz NXFSIGKKUDCJJI-IXDOHACOSA-N 1 3 361.540 2.195 20 0 FEADHO CCN(CC)[C@@H](CNC(=O)c1ccnn1CC[NH+](C)C)c1ccsc1 ZINC000900191875 690482021 /nfs/dbraw/zinc/48/20/21/690482021.db2.gz HSLSMKRUKPEZPC-KRWDZBQOSA-N 1 3 363.531 2.319 20 0 FEADHO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C2CCN(CC3CC3)CC2)CCC1 ZINC000903188727 690863714 /nfs/dbraw/zinc/86/37/14/690863714.db2.gz HXYOABUJJXEADM-UHFFFAOYSA-N 1 3 357.564 2.091 20 0 FEADHO Clc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc2c1OCO2 ZINC000903510101 690905000 /nfs/dbraw/zinc/90/50/00/690905000.db2.gz ONMCVYNZGHPECX-IYBDPMFKSA-N 1 3 363.889 2.469 20 0 FEADHO Clc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc2c1OCO2 ZINC000903510101 690905002 /nfs/dbraw/zinc/90/50/02/690905002.db2.gz ONMCVYNZGHPECX-IYBDPMFKSA-N 1 3 363.889 2.469 20 0 FEADHO Clc1cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc2c1OCO2 ZINC000903510101 690905006 /nfs/dbraw/zinc/90/50/06/690905006.db2.gz ONMCVYNZGHPECX-IYBDPMFKSA-N 1 3 363.889 2.469 20 0 FEADHO CN(C)S(=O)(=O)c1ccc(CN2CCC(C(C)(C)C[NH3+])CC2)cc1 ZINC000903790917 690972466 /nfs/dbraw/zinc/97/24/66/690972466.db2.gz HGHSPPNNPJRDND-UHFFFAOYSA-N 1 3 353.532 2.134 20 0 FEADHO Cc1c(C[C@H](C[NH3+])CNCc2ccc(Br)cc2)cnn1C ZINC000903923462 690986567 /nfs/dbraw/zinc/98/65/67/690986567.db2.gz UWCCPWYJMDAPRI-CQSZACIVSA-N 1 3 351.292 2.398 20 0 FEADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)C1 ZINC000904389085 691024126 /nfs/dbraw/zinc/02/41/26/691024126.db2.gz GUWJRSIKTXJERY-AWEZNQCLSA-N 1 3 362.543 2.009 20 0 FEADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1nc2c(s1)CNCC2 ZINC000904474498 691030349 /nfs/dbraw/zinc/03/03/49/691030349.db2.gz UVRGNYDRXLVTKT-BEFAXECRSA-N 1 3 356.495 2.134 20 0 FEADHO